data_19637 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19637 _Entry.PDB_ID 2MHL 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 19637 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 HIS N N 2 119.214 119.214 117.257 1.957 19637 2 1 1 . 1 1 2 2 HIS C C 2 171.081 171.081 173.714 -2.633 19637 3 1 1 . 1 1 2 2 HIS CA C 2 52.288 52.288 54.844 -2.556 19637 4 1 1 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.026 -6.730 19637 5 1 1 . 1 1 2 2 HIS H H 2 8.422 8.422 7.809 0.613 19637 6 1 1 . 1 1 3 3 GLU N N 3 113.500 113.500 116.781 -3.281 19637 7 1 1 . 1 1 3 3 GLU C C 3 174.619 174.619 174.590 0.029 19637 8 1 1 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.576 -1.914 19637 9 1 1 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.022 -1.607 19637 10 1 1 . 1 1 3 3 GLU H H 3 6.642 6.642 7.439 -0.797 19637 11 1 1 . 1 1 4 4 ALA N N 4 120.680 120.680 123.000 -2.320 19637 12 1 1 . 1 1 4 4 ALA C C 4 178.439 178.439 177.672 0.767 19637 13 1 1 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.798 -0.422 19637 14 1 1 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.708 -0.265 19637 15 1 1 . 1 1 4 4 ALA H H 4 8.701 8.701 8.190 0.511 19637 16 1 1 . 1 1 5 5 GLY N N 5 112.786 112.786 109.475 3.311 19637 17 1 1 . 1 1 5 5 GLY C C 5 173.309 173.309 173.955 -0.646 19637 18 1 1 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.863 -1.310 19637 19 1 1 . 1 1 5 5 GLY H H 5 9.294 9.294 7.904 1.390 19637 20 1 1 . 1 1 6 6 GLU N N 6 121.755 121.755 119.763 1.992 19637 21 1 1 . 1 1 6 6 GLU C C 6 173.693 173.693 174.925 -1.232 19637 22 1 1 . 1 1 6 6 GLU CA C 6 56.018 56.018 56.172 -0.154 19637 23 1 1 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.397 0.791 19637 24 1 1 . 1 1 6 6 GLU H H 6 7.955 7.955 7.920 0.035 19637 25 1 1 . 1 1 7 7 PHE N N 7 124.802 124.802 121.669 3.133 19637 26 1 1 . 1 1 7 7 PHE C C 7 174.039 174.039 174.573 -0.534 19637 27 1 1 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.063 -0.730 19637 28 1 1 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.486 1.255 19637 29 1 1 . 1 1 7 7 PHE H H 7 8.648 8.648 7.855 0.793 19637 30 1 1 . 1 1 8 8 PHE N N 8 121.132 121.132 125.572 -4.440 19637 31 1 1 . 1 1 8 8 PHE C C 8 171.861 171.861 173.853 -1.992 19637 32 1 1 . 1 1 8 8 PHE CA C 8 54.549 54.549 57.111 -2.562 19637 33 1 1 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.578 -2.901 19637 34 1 1 . 1 1 8 8 PHE H H 8 8.574 8.574 9.286 -0.712 19637 35 1 1 . 1 1 9 9 MET N N 9 120.391 120.391 125.076 -4.685 19637 36 1 1 . 1 1 9 9 MET C C 9 174.166 174.166 174.127 0.039 19637 37 1 1 . 1 1 9 9 MET CA C 9 52.199 52.199 54.453 -2.254 19637 38 1 1 . 1 1 9 9 MET CB C 9 37.307 37.307 35.580 1.727 19637 39 1 1 . 1 1 9 9 MET H H 9 8.541 8.541 8.989 -0.448 19637 40 1 1 . 1 1 10 10 ARG N N 10 117.892 117.892 122.967 -5.075 19637 41 1 1 . 1 1 10 10 ARG C C 10 175.289 175.289 175.401 -0.112 19637 42 1 1 . 1 1 10 10 ARG CA C 10 53.446 53.446 53.445 0.001 19637 43 1 1 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.623 -3.257 19637 44 1 1 . 1 1 10 10 ARG H H 10 8.357 8.357 9.091 -0.734 19637 45 1 1 . 1 1 11 11 ALA N N 11 119.664 119.664 121.723 -2.059 19637 46 1 1 . 1 1 11 11 ALA C C 11 176.057 176.057 176.621 -0.564 19637 47 1 1 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.695 -1.063 19637 48 1 1 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.566 0.952 19637 49 1 1 . 1 1 11 11 ALA H H 11 9.154 9.154 8.127 1.027 19637 50 1 1 . 1 1 12 12 GLY N N 12 106.262 106.262 107.582 -1.320 19637 51 1 1 . 1 1 12 12 GLY C C 12 172.068 172.068 173.968 -1.900 19637 52 1 1 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.537 0.612 19637 53 1 1 . 1 1 12 12 GLY H H 12 8.655 8.655 8.274 0.381 19637 54 1 1 . 1 1 13 13 SER N N 13 116.893 116.893 119.813 -2.920 19637 55 1 1 . 1 1 13 13 SER C C 13 173.604 173.604 172.806 0.798 19637 56 1 1 . 1 1 13 13 SER CA C 13 56.367 56.367 57.743 -1.377 19637 57 1 1 . 1 1 13 13 SER CB C 13 64.087 64.087 62.602 1.484 19637 58 1 1 . 1 1 13 13 SER H H 13 8.644 8.644 7.609 1.035 19637 59 1 1 . 1 1 14 14 ALA N N 14 125.234 125.234 127.602 -2.368 19637 60 1 1 . 1 1 14 14 ALA CA C 14 49.627 49.627 49.989 -0.362 19637 61 1 1 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.924 -1.594 19637 62 1 1 . 1 1 14 14 ALA H H 14 9.120 9.120 7.709 1.411 19637 63 1 1 . 1 1 15 15 THR N N 15 121.303 121.303 122.782 -1.479 19637 64 1 1 . 1 1 15 15 THR C C 15 175.230 175.230 173.810 1.420 19637 65 1 1 . 1 1 15 15 THR CA C 15 60.895 60.895 62.570 -1.675 19637 66 1 1 . 1 1 15 15 THR CB C 15 70.029 70.029 69.273 0.756 19637 67 1 1 . 1 1 15 15 THR H H 15 9.351 9.351 8.672 0.679 19637 68 1 1 . 1 1 16 16 VAL N N 16 126.781 126.781 126.261 0.520 19637 69 1 1 . 1 1 16 16 VAL C C 16 174.432 174.432 174.807 -0.375 19637 70 1 1 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.168 -0.362 19637 71 1 1 . 1 1 16 16 VAL CB C 16 30.922 30.922 33.522 -2.599 19637 72 1 1 . 1 1 16 16 VAL H H 16 9.110 9.110 8.258 0.852 19637 73 1 1 . 1 1 17 17 ARG N N 17 129.806 129.806 128.993 0.813 19637 74 1 1 . 1 1 17 17 ARG C C 17 173.440 173.440 174.475 -1.035 19637 75 1 1 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.702 -1.295 19637 76 1 1 . 1 1 17 17 ARG CB C 17 30.302 30.302 31.395 -1.093 19637 77 1 1 . 1 1 17 17 ARG H H 17 9.325 9.325 8.410 0.915 19637 78 1 1 . 1 1 19 19 THR N N 19 114.402 114.402 117.130 -2.728 19637 79 1 1 . 1 1 19 19 THR CA C 19 61.022 61.022 62.161 -1.139 19637 80 1 1 . 1 1 19 19 THR CB C 19 69.142 69.142 68.861 0.282 19637 81 1 1 . 1 1 19 19 THR H H 19 8.021 8.021 8.450 -0.429 19637 82 1 1 . 1 1 20 20 GLU N N 20 123.598 123.598 120.426 3.172 19637 83 1 1 . 1 1 20 20 GLU C C 20 177.007 177.007 176.720 0.287 19637 84 1 1 . 1 1 20 20 GLU CA C 20 55.480 55.480 55.867 -0.387 19637 85 1 1 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.766 -1.972 19637 86 1 1 . 1 1 20 20 GLU H H 20 8.601 8.601 8.108 0.493 19637 87 1 1 . 1 1 21 21 GLY N N 21 110.237 110.237 108.294 1.943 19637 88 1 1 . 1 1 21 21 GLY C C 21 174.077 174.077 173.592 0.485 19637 89 1 1 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.333 -0.672 19637 90 1 1 . 1 1 21 21 GLY H H 21 8.530 8.530 8.753 -0.223 19637 91 1 1 . 1 1 22 22 ALA N N 22 123.476 123.476 122.577 0.899 19637 92 1 1 . 1 1 22 22 ALA C C 22 178.158 178.158 177.012 1.146 19637 93 1 1 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.886 -0.131 19637 94 1 1 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.984 -2.206 19637 95 1 1 . 1 1 22 22 ALA H H 22 8.279 8.279 8.334 -0.055 19637 96 1 1 . 1 1 23 23 GLY N N 23 107.265 107.265 107.204 0.061 19637 97 1 1 . 1 1 23 23 GLY C C 23 174.727 174.727 173.556 1.171 19637 98 1 1 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.206 -0.766 19637 99 1 1 . 1 1 23 23 GLY H H 23 8.452 8.452 8.487 -0.035 19637 100 1 1 . 1 1 24 24 GLY N N 24 108.306 108.306 108.284 0.022 19637 101 1 1 . 1 1 24 24 GLY C C 24 174.786 174.786 174.386 0.400 19637 102 1 1 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.759 -1.319 19637 103 1 1 . 1 1 24 24 GLY H H 24 8.221 8.221 8.248 -0.027 19637 104 1 1 . 1 1 25 25 THR N N 25 114.381 114.381 113.647 0.734 19637 105 1 1 . 1 1 25 25 THR C C 25 175.170 175.170 174.763 0.407 19637 106 1 1 . 1 1 25 25 THR CA C 25 61.599 61.599 62.220 -0.621 19637 107 1 1 . 1 1 25 25 THR CB C 25 68.521 68.521 69.800 -1.280 19637 108 1 1 . 1 1 25 25 THR H H 25 8.213 8.213 8.294 -0.081 19637 109 1 1 . 1 1 26 26 LEU N N 26 123.038 123.038 119.287 3.751 19637 110 1 1 . 1 1 26 26 LEU C C 26 177.918 177.918 175.351 2.567 19637 111 1 1 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.071 -0.389 19637 112 1 1 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.035 -1.890 19637 113 1 1 . 1 1 26 26 LEU H H 26 8.425 8.425 8.050 0.375 19637 114 1 1 . 1 1 27 27 GLY N N 27 108.786 108.786 108.211 0.575 19637 115 1 1 . 1 1 27 27 GLY C C 27 175.023 175.023 172.730 2.293 19637 116 1 1 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.340 -0.501 19637 117 1 1 . 1 1 27 27 GLY H H 27 8.260 8.260 7.941 0.319 19637 118 1 1 . 1 1 28 28 SER N N 28 116.175 116.175 115.306 0.869 19637 119 1 1 . 1 1 28 28 SER CA C 28 58.140 58.140 58.818 -0.678 19637 120 1 1 . 1 1 28 28 SER CB C 28 62.846 62.846 62.979 -0.133 19637 121 1 1 . 1 1 28 28 SER H H 28 8.330 8.330 8.319 0.011 19637 122 1 1 . 1 1 29 29 LEU N N 29 122.260 122.260 121.410 0.850 19637 123 1 1 . 1 1 29 29 LEU C C 29 177.512 177.512 175.585 1.927 19637 124 1 1 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.132 -0.716 19637 125 1 1 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.990 -2.668 19637 126 1 1 . 1 1 29 29 LEU H H 29 8.157 8.157 8.095 0.062 19637 127 1 1 . 1 1 30 30 GLY N N 30 107.575 107.575 109.452 -1.877 19637 128 1 1 . 1 1 30 30 GLY C C 30 174.225 174.225 174.929 -0.704 19637 129 1 1 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.934 -0.407 19637 130 1 1 . 1 1 30 30 GLY H H 30 8.144 8.144 8.570 -0.426 19637 131 1 1 . 1 1 31 31 GLY N N 31 107.996 107.996 107.163 0.833 19637 132 1 1 . 1 1 31 31 GLY C C 31 173.664 173.664 173.689 -0.025 19637 133 1 1 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.828 -0.610 19637 134 1 1 . 1 1 31 31 GLY H H 31 8.044 8.044 8.045 -0.001 19637 135 1 1 . 1 1 32 32 PHE N N 32 119.248 119.248 120.010 -0.762 19637 136 1 1 . 1 1 32 32 PHE C C 32 175.495 175.495 173.986 1.509 19637 137 1 1 . 1 1 32 32 PHE CA C 32 56.373 56.373 55.798 0.575 19637 138 1 1 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.599 -2.341 19637 139 1 1 . 1 1 32 32 PHE H H 32 8.181 8.181 7.863 0.318 19637 140 1 1 . 1 1 33 33 SER N N 33 117.720 117.720 117.730 -0.010 19637 141 1 1 . 1 1 33 33 SER C C 33 173.368 173.368 172.911 0.457 19637 142 1 1 . 1 1 33 33 SER CA C 33 55.746 55.746 58.751 -3.005 19637 143 1 1 . 1 1 33 33 SER CB C 33 64.265 64.265 64.422 -0.157 19637 144 1 1 . 1 1 33 33 SER H H 33 8.771 8.771 8.986 -0.215 19637 145 1 1 . 1 1 34 34 VAL N N 34 123.007 123.007 124.791 -1.784 19637 146 1 1 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.716 -1.290 19637 147 1 1 . 1 1 34 34 VAL CB C 34 32.785 32.785 35.118 -2.333 19637 148 1 1 . 1 1 34 34 VAL H H 34 8.525 8.525 8.311 0.214 19637 149 1 1 . 1 1 35 35 THR N N 35 115.459 115.459 120.485 -5.026 19637 150 1 1 . 1 1 35 35 THR CA C 35 61.200 61.200 61.643 -0.443 19637 151 1 1 . 1 1 35 35 THR CB C 35 69.851 69.851 69.715 0.136 19637 152 1 1 . 1 1 35 35 THR H H 35 8.147 8.147 8.271 -0.124 19637 153 1 1 . 1 1 36 36 ASN N N 36 118.274 118.274 120.254 -1.980 19637 154 1 1 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.818 -1.411 19637 155 1 1 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.091 -0.986 19637 156 1 1 . 1 1 36 36 ASN H H 36 8.719 8.719 8.527 0.192 19637 157 1 1 . 1 1 37 37 ASN N N 37 115.657 115.657 121.660 -6.003 19637 158 1 1 . 1 1 37 37 ASN CA C 37 54.865 54.865 54.300 0.565 19637 159 1 1 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.259 4.053 19637 160 1 1 . 1 1 37 37 ASN H H 37 8.432 8.432 8.504 -0.072 19637 161 1 1 . 1 1 38 38 THR N N 38 122.444 122.444 117.713 4.731 19637 162 1 1 . 1 1 38 38 THR CA C 38 61.288 61.288 62.411 -1.123 19637 163 1 1 . 1 1 38 38 THR CB C 38 69.142 69.142 68.852 0.290 19637 164 1 1 . 1 1 38 38 THR H H 38 8.095 8.095 8.433 -0.338 19637 165 1 1 . 1 1 40 40 LEU N N 40 120.457 120.457 122.098 -1.641 19637 166 1 1 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.466 -1.139 19637 167 1 1 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.339 -2.120 19637 168 1 1 . 1 1 40 40 LEU H H 40 6.902 6.902 7.864 -0.963 19637 169 1 1 . 1 1 41 41 GLY N N 41 111.223 111.223 109.105 2.118 19637 170 1 1 . 1 1 41 41 GLY C C 41 171.034 171.034 172.386 -1.352 19637 171 1 1 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.646 -1.803 19637 172 1 1 . 1 1 41 41 GLY H H 41 8.978 8.978 7.994 0.984 19637 173 1 1 . 1 1 42 42 LEU N N 42 122.123 122.123 116.502 5.621 19637 174 1 1 . 1 1 42 42 LEU C C 42 175.350 175.350 175.133 0.217 19637 175 1 1 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.938 -2.783 19637 176 1 1 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.630 -0.253 19637 177 1 1 . 1 1 42 42 LEU H H 42 8.679 8.679 8.982 -0.303 19637 178 1 1 . 1 1 43 43 THR N N 43 109.917 109.917 114.737 -4.820 19637 179 1 1 . 1 1 43 43 THR C C 43 173.516 173.516 173.544 -0.028 19637 180 1 1 . 1 1 43 43 THR CA C 43 58.057 58.057 60.814 -2.757 19637 181 1 1 . 1 1 43 43 THR CB C 43 70.029 70.029 71.691 -1.661 19637 182 1 1 . 1 1 43 43 THR H H 43 8.792 8.792 8.940 -0.148 19637 183 1 1 . 1 1 44 44 PHE N N 44 118.699 118.699 124.834 -6.135 19637 184 1 1 . 1 1 44 44 PHE C C 44 173.917 173.917 173.581 0.336 19637 185 1 1 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.498 -1.018 19637 186 1 1 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.787 -1.022 19637 187 1 1 . 1 1 44 44 PHE H H 44 8.566 8.566 9.060 -0.494 19637 188 1 1 . 1 1 45 45 THR N N 45 118.229 118.229 122.247 -4.018 19637 189 1 1 . 1 1 45 45 THR C C 45 170.886 170.886 172.517 -1.631 19637 190 1 1 . 1 1 45 45 THR CA C 45 60.097 60.097 60.115 -0.018 19637 191 1 1 . 1 1 45 45 THR CB C 45 68.433 68.433 70.715 -2.282 19637 192 1 1 . 1 1 45 45 THR H H 45 7.903 7.903 9.158 -1.255 19637 193 1 1 . 1 1 46 46 TYR N N 46 124.450 124.450 127.659 -3.209 19637 194 1 1 . 1 1 46 46 TYR C C 46 174.254 174.254 173.320 0.934 19637 195 1 1 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.314 -2.164 19637 196 1 1 . 1 1 46 46 TYR CB C 46 42.273 42.273 42.201 0.072 19637 197 1 1 . 1 1 46 46 TYR H H 46 8.941 8.941 8.786 0.155 19637 198 1 1 . 1 1 47 47 MET N N 47 123.598 123.598 125.450 -1.852 19637 199 1 1 . 1 1 47 47 MET C C 47 175.082 175.082 174.764 0.318 19637 200 1 1 . 1 1 47 47 MET CA C 47 50.425 50.425 54.613 -4.188 19637 201 1 1 . 1 1 47 47 MET CB C 47 26.222 26.222 35.253 -9.031 19637 202 1 1 . 1 1 47 47 MET H H 47 7.798 7.798 8.208 -0.410 19637 203 1 1 . 1 1 48 48 ALA N N 48 129.975 129.975 125.547 4.428 19637 204 1 1 . 1 1 48 48 ALA C C 48 178.568 178.568 177.364 1.204 19637 205 1 1 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.894 -0.589 19637 206 1 1 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.598 -1.886 19637 207 1 1 . 1 1 48 48 ALA H H 48 8.717 8.717 8.626 0.091 19637 208 1 1 . 1 1 49 49 THR N N 49 106.011 106.011 111.419 -5.408 19637 209 1 1 . 1 1 49 49 THR C C 49 171.950 171.950 172.773 -0.823 19637 210 1 1 . 1 1 49 49 THR CA C 49 57.786 57.786 62.981 -5.195 19637 211 1 1 . 1 1 49 49 THR CB C 49 70.535 70.535 67.970 2.565 19637 212 1 1 . 1 1 49 49 THR H H 49 8.072 8.072 7.796 0.276 19637 213 1 1 . 1 1 50 50 ASP N N 50 114.062 114.062 123.290 -9.228 19637 214 1 1 . 1 1 50 50 ASP C C 50 175.318 175.318 175.132 0.186 19637 215 1 1 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.485 0.291 19637 216 1 1 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.789 -0.999 19637 217 1 1 . 1 1 50 50 ASP H H 50 8.390 8.390 8.261 0.129 19637 218 1 1 . 1 1 51 51 ASN N N 51 111.850 111.850 116.252 -4.402 19637 219 1 1 . 1 1 51 51 ASN C C 51 171.684 171.684 173.036 -1.352 19637 220 1 1 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.037 0.379 19637 221 1 1 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.660 2.573 19637 222 1 1 . 1 1 51 51 ASN H H 51 7.887 7.887 8.335 -0.448 19637 223 1 1 . 1 1 52 52 ILE N N 52 118.929 118.929 116.978 1.951 19637 224 1 1 . 1 1 52 52 ILE C C 52 175.495 175.495 173.494 2.001 19637 225 1 1 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.013 0.635 19637 226 1 1 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.876 -3.392 19637 227 1 1 . 1 1 52 52 ILE H H 52 7.707 7.707 7.361 0.346 19637 228 1 1 . 1 1 53 53 GLY N N 53 114.998 114.998 114.995 0.003 19637 229 1 1 . 1 1 53 53 GLY C C 53 171.536 171.536 171.863 -0.327 19637 230 1 1 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.562 -1.630 19637 231 1 1 . 1 1 53 53 GLY H H 53 8.678 8.678 8.816 -0.138 19637 232 1 1 . 1 1 54 54 VAL N N 54 118.327 118.327 119.386 -1.059 19637 233 1 1 . 1 1 54 54 VAL C C 54 173.309 173.309 174.142 -0.833 19637 234 1 1 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.189 -1.541 19637 235 1 1 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.197 -1.324 19637 236 1 1 . 1 1 54 54 VAL H H 54 8.734 8.734 8.621 0.113 19637 237 1 1 . 1 1 55 55 GLU N N 55 126.907 126.907 127.987 -1.080 19637 238 1 1 . 1 1 55 55 GLU C C 55 173.575 173.575 174.914 -1.339 19637 239 1 1 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.288 -1.018 19637 240 1 1 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.475 2.252 19637 241 1 1 . 1 1 55 55 GLU H H 55 9.084 9.084 8.862 0.222 19637 242 1 1 . 1 1 56 56 LEU N N 56 126.739 126.739 128.315 -1.576 19637 243 1 1 . 1 1 56 56 LEU C C 56 174.786 174.786 175.635 -0.849 19637 244 1 1 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.271 -2.338 19637 245 1 1 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.288 1.734 19637 246 1 1 . 1 1 56 56 LEU H H 56 9.168 9.168 9.197 -0.029 19637 247 1 1 . 1 1 57 57 LEU N N 57 127.189 127.189 127.204 -0.015 19637 248 1 1 . 1 1 57 57 LEU C C 57 174.579 174.579 174.483 0.096 19637 249 1 1 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.335 -0.244 19637 250 1 1 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.700 -1.540 19637 251 1 1 . 1 1 57 57 LEU H H 57 9.174 9.174 8.893 0.281 19637 252 1 1 . 1 1 58 58 ALA N N 58 125.061 125.061 128.367 -3.306 19637 253 1 1 . 1 1 58 58 ALA C C 58 172.925 172.925 174.934 -2.009 19637 254 1 1 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.971 -2.047 19637 255 1 1 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.563 -1.484 19637 256 1 1 . 1 1 58 58 ALA H H 58 9.435 9.435 8.928 0.507 19637 257 1 1 . 1 1 59 59 ALA N N 59 116.911 116.911 124.662 -7.751 19637 258 1 1 . 1 1 59 59 ALA C C 59 176.248 176.248 176.362 -0.114 19637 259 1 1 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.243 -1.172 19637 260 1 1 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.130 -1.471 19637 261 1 1 . 1 1 59 59 ALA H H 59 6.833 6.833 8.236 -1.403 19637 262 1 1 . 1 1 60 60 THR N N 60 105.771 105.771 113.830 -8.059 19637 263 1 1 . 1 1 60 60 THR C C 60 170.975 170.975 173.512 -2.537 19637 264 1 1 . 1 1 60 60 THR CA C 60 59.515 59.515 61.178 -1.663 19637 265 1 1 . 1 1 60 60 THR CB C 60 63.487 63.487 68.372 -4.885 19637 266 1 1 . 1 1 60 60 THR H H 60 7.718 7.718 8.367 -0.649 19637 267 1 1 . 1 1 62 62 PHE N N 62 122.473 122.473 124.094 -1.621 19637 268 1 1 . 1 1 62 62 PHE C C 62 174.934 174.934 175.664 -0.730 19637 269 1 1 . 1 1 62 62 PHE CA C 62 56.721 56.721 59.000 -2.279 19637 270 1 1 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.387 -0.774 19637 271 1 1 . 1 1 62 62 PHE H H 62 8.251 8.251 8.277 -0.026 19637 272 1 1 . 1 1 63 63 ARG N N 63 118.016 118.016 125.779 -7.763 19637 273 1 1 . 1 1 63 63 ARG C C 63 174.423 174.423 174.391 0.032 19637 274 1 1 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.083 -2.435 19637 275 1 1 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.968 -1.070 19637 276 1 1 . 1 1 63 63 ARG H H 63 7.378 7.378 8.326 -0.948 19637 277 1 1 . 1 1 64 64 HIS N N 64 120.040 120.040 119.603 0.437 19637 278 1 1 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.207 -2.254 19637 279 1 1 . 1 1 64 64 HIS H H 64 8.588 8.588 8.517 0.071 19637 280 1 1 . 1 1 66 66 ILE N N 66 122.668 122.668 121.268 1.400 19637 281 1 1 . 1 1 66 66 ILE C C 66 175.141 175.141 175.732 -0.591 19637 282 1 1 . 1 1 66 66 ILE CA C 66 57.963 57.963 62.242 -4.279 19637 283 1 1 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.633 -0.996 19637 284 1 1 . 1 1 66 66 ILE H H 66 8.726 8.726 7.974 0.752 19637 285 1 1 . 1 1 67 67 GLY N N 67 114.948 114.948 115.360 -0.412 19637 286 1 1 . 1 1 67 67 GLY C C 67 172.570 172.570 173.655 -1.085 19637 287 1 1 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.636 -0.507 19637 288 1 1 . 1 1 67 67 GLY H H 67 8.780 8.780 8.572 0.208 19637 289 1 1 . 1 1 68 68 THR N N 68 106.079 106.079 113.934 -7.855 19637 290 1 1 . 1 1 68 68 THR C C 68 175.574 175.574 175.836 -0.262 19637 291 1 1 . 1 1 68 68 THR CA C 68 58.672 58.672 60.067 -1.395 19637 292 1 1 . 1 1 68 68 THR CB C 68 71.270 71.270 70.386 0.884 19637 293 1 1 . 1 1 68 68 THR H H 68 7.431 7.431 7.634 -0.203 19637 294 1 1 . 1 1 69 69 ARG N N 69 122.303 122.303 125.811 -3.508 19637 295 1 1 . 1 1 69 69 ARG C C 69 178.298 178.298 177.132 1.166 19637 296 1 1 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.383 -0.154 19637 297 1 1 . 1 1 69 69 ARG CB C 69 28.173 28.173 29.949 -1.776 19637 298 1 1 . 1 1 69 69 ARG H H 69 8.783 8.783 8.878 -0.095 19637 299 1 1 . 1 1 70 70 ALA N N 70 117.681 117.681 120.803 -3.122 19637 300 1 1 . 1 1 70 70 ALA C C 70 179.281 179.281 178.845 0.436 19637 301 1 1 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.586 -1.317 19637 302 1 1 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.828 -0.853 19637 303 1 1 . 1 1 70 70 ALA H H 70 8.262 8.262 7.622 0.640 19637 304 1 1 . 1 1 71 71 THR N N 71 105.486 105.486 111.310 -5.824 19637 305 1 1 . 1 1 71 71 THR C C 71 176.136 176.136 175.590 0.546 19637 306 1 1 . 1 1 71 71 THR CA C 71 60.895 60.895 62.033 -1.138 19637 307 1 1 . 1 1 71 71 THR CB C 71 70.383 70.383 70.259 0.124 19637 308 1 1 . 1 1 71 71 THR H H 71 7.473 7.473 7.655 -0.182 19637 309 1 1 . 1 1 72 72 GLY N N 72 111.099 111.099 111.600 -0.501 19637 310 1 1 . 1 1 72 72 GLY C C 72 175.052 175.052 173.782 1.270 19637 311 1 1 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.153 -1.107 19637 312 1 1 . 1 1 72 72 GLY H H 72 8.194 8.194 7.913 0.281 19637 313 1 1 . 1 1 73 73 ASP N N 73 121.919 121.919 118.133 3.786 19637 314 1 1 . 1 1 73 73 ASP C C 73 177.889 177.889 174.991 2.898 19637 315 1 1 . 1 1 73 73 ASP CA C 73 55.042 55.042 55.586 -0.544 19637 316 1 1 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.977 -1.453 19637 317 1 1 . 1 1 73 73 ASP H H 73 8.668 8.668 8.029 0.639 19637 318 1 1 . 1 1 74 74 ILE N N 74 117.113 117.113 121.929 -4.816 19637 319 1 1 . 1 1 74 74 ILE C C 74 175.013 175.013 173.801 1.212 19637 320 1 1 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.169 -2.255 19637 321 1 1 . 1 1 74 74 ILE CB C 74 41.297 41.297 38.483 2.814 19637 322 1 1 . 1 1 74 74 ILE H H 74 9.327 9.327 8.285 1.042 19637 323 1 1 . 1 1 75 75 ALA N N 75 121.329 121.329 122.919 -1.590 19637 324 1 1 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.857 -0.432 19637 325 1 1 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.159 0.364 19637 326 1 1 . 1 1 75 75 ALA H H 75 8.086 8.086 7.539 0.547 19637 327 1 1 . 1 1 76 76 THR N N 76 116.168 116.168 113.420 2.748 19637 328 1 1 . 1 1 76 76 THR C C 76 173.043 173.043 172.917 0.126 19637 329 1 1 . 1 1 76 76 THR CA C 76 60.540 60.540 61.298 -0.758 19637 330 1 1 . 1 1 76 76 THR CB C 76 69.674 69.674 70.269 -0.595 19637 331 1 1 . 1 1 76 76 THR H H 76 8.539 8.539 8.135 0.404 19637 332 1 1 . 1 1 77 77 VAL N N 77 117.996 117.996 120.957 -2.961 19637 333 1 1 . 1 1 77 77 VAL C C 77 174.964 174.964 173.295 1.669 19637 334 1 1 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.253 -2.905 19637 335 1 1 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.666 -0.640 19637 336 1 1 . 1 1 77 77 VAL H H 77 8.578 8.578 7.888 0.690 19637 337 1 1 . 1 1 78 78 HIS N N 78 116.541 116.541 124.421 -7.880 19637 338 1 1 . 1 1 78 78 HIS C C 78 173.634 173.634 173.779 -0.145 19637 339 1 1 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.036 -1.211 19637 340 1 1 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.997 -2.050 19637 341 1 1 . 1 1 78 78 HIS H H 78 7.822 7.822 8.132 -0.310 19637 342 1 1 . 1 1 79 79 HIS N N 79 113.176 113.176 121.073 -7.897 19637 343 1 1 . 1 1 79 79 HIS C C 79 173.841 173.841 174.384 -0.543 19637 344 1 1 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.259 0.157 19637 345 1 1 . 1 1 79 79 HIS CB C 79 34.026 34.026 32.997 1.029 19637 346 1 1 . 1 1 79 79 HIS H H 79 7.912 7.912 8.527 -0.615 19637 347 1 1 . 1 1 80 80 LEU N N 80 118.153 118.153 122.256 -4.103 19637 348 1 1 . 1 1 80 80 LEU C C 80 177.821 177.821 175.731 2.090 19637 349 1 1 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.631 -2.472 19637 350 1 1 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.600 3.663 19637 351 1 1 . 1 1 80 80 LEU H H 80 8.205 8.205 8.566 -0.361 19637 352 1 1 . 1 1 83 83 THR N N 83 115.326 115.326 116.288 -0.962 19637 353 1 1 . 1 1 83 83 THR C C 83 171.362 171.362 172.839 -1.477 19637 354 1 1 . 1 1 83 83 THR CA C 83 60.540 60.540 59.873 0.667 19637 355 1 1 . 1 1 83 83 THR CB C 83 72.068 72.068 72.165 -0.097 19637 356 1 1 . 1 1 83 83 THR H H 83 7.688 7.688 8.827 -1.139 19637 357 1 1 . 1 1 84 84 LEU N N 84 129.848 129.848 124.404 5.444 19637 358 1 1 . 1 1 84 84 LEU C C 84 174.373 174.373 175.723 -1.350 19637 359 1 1 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.329 -1.908 19637 360 1 1 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.725 0.031 19637 361 1 1 . 1 1 84 84 LEU H H 84 9.013 9.013 8.768 0.245 19637 362 1 1 . 1 1 85 85 MET N N 85 121.374 121.374 124.032 -2.658 19637 363 1 1 . 1 1 85 85 MET C C 85 175.407 175.407 175.170 0.237 19637 364 1 1 . 1 1 85 85 MET CA C 85 52.421 52.421 54.111 -1.690 19637 365 1 1 . 1 1 85 85 MET CB C 85 34.558 34.558 34.600 -0.042 19637 366 1 1 . 1 1 85 85 MET H H 85 9.823 9.823 9.441 0.382 19637 367 1 1 . 1 1 86 86 ALA N N 86 123.689 123.689 127.050 -3.361 19637 368 1 1 . 1 1 86 86 ALA C C 86 176.205 176.205 175.984 0.221 19637 369 1 1 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.735 -1.930 19637 370 1 1 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.227 -1.276 19637 371 1 1 . 1 1 86 86 ALA H H 86 9.080 9.080 8.995 0.085 19637 372 1 1 . 1 1 87 87 GLN N N 87 116.548 116.548 121.713 -5.165 19637 373 1 1 . 1 1 87 87 GLN C C 87 175.495 175.495 174.087 1.408 19637 374 1 1 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.931 -1.573 19637 375 1 1 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.100 1.192 19637 376 1 1 . 1 1 87 87 GLN H H 87 9.061 9.061 8.860 0.201 19637 377 1 1 . 1 1 88 88 TRP N N 88 119.609 119.609 128.439 -8.830 19637 378 1 1 . 1 1 88 88 TRP C C 88 174.727 174.727 173.726 1.001 19637 379 1 1 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.113 -1.159 19637 380 1 1 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.752 -3.273 19637 381 1 1 . 1 1 88 88 TRP H H 88 8.893 8.893 9.037 -0.144 19637 382 1 1 . 1 1 89 89 TYR N N 89 124.849 124.849 126.482 -1.633 19637 383 1 1 . 1 1 89 89 TYR C C 89 176.382 176.382 174.928 1.454 19637 384 1 1 . 1 1 89 89 TYR CA C 89 55.042 55.042 58.447 -3.405 19637 385 1 1 . 1 1 89 89 TYR H H 89 8.815 8.815 8.665 0.150 19637 386 1 1 . 1 1 90 90 PHE N N 90 122.137 122.137 125.642 -3.505 19637 387 1 1 . 1 1 90 90 PHE C C 90 176.304 176.304 175.674 0.630 19637 388 1 1 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.546 0.275 19637 389 1 1 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.377 -1.917 19637 390 1 1 . 1 1 90 90 PHE H H 90 9.171 9.171 8.584 0.588 19637 391 1 1 . 1 1 91 91 GLY N N 91 108.961 108.961 115.142 -6.181 19637 392 1 1 . 1 1 91 91 GLY C C 91 172.748 172.748 173.384 -0.636 19637 393 1 1 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.180 -0.849 19637 394 1 1 . 1 1 91 91 GLY H H 91 9.342 9.342 8.554 0.788 19637 395 1 1 . 1 1 92 92 ASP N N 92 119.869 119.869 121.371 -1.502 19637 396 1 1 . 1 1 92 92 ASP C C 92 175.968 175.968 175.125 0.843 19637 397 1 1 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.120 -2.498 19637 398 1 1 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.873 -1.310 19637 399 1 1 . 1 1 92 92 ASP H H 92 8.612 8.612 8.164 0.448 19637 400 1 1 . 1 1 93 93 ALA N N 93 117.665 117.665 126.634 -8.969 19637 401 1 1 . 1 1 93 93 ALA C C 93 178.748 178.748 176.512 2.236 19637 402 1 1 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.832 0.348 19637 403 1 1 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.126 -3.215 19637 404 1 1 . 1 1 93 93 ALA H H 93 8.673 8.673 8.670 0.003 19637 405 1 1 . 1 1 94 94 SER N N 94 115.062 115.062 115.238 -0.176 19637 406 1 1 . 1 1 94 94 SER C C 94 175.348 175.348 172.808 2.540 19637 407 1 1 . 1 1 94 94 SER CA C 94 58.185 58.185 58.477 -0.292 19637 408 1 1 . 1 1 94 94 SER CB C 94 62.757 62.757 63.254 -0.497 19637 409 1 1 . 1 1 94 94 SER H H 94 8.902 8.902 8.106 0.796 19637 410 1 1 . 1 1 95 95 SER N N 95 120.754 120.754 119.601 1.153 19637 411 1 1 . 1 1 95 95 SER CA C 95 58.451 58.451 57.468 0.983 19637 412 1 1 . 1 1 95 95 SER CB C 95 62.580 62.580 64.419 -1.839 19637 413 1 1 . 1 1 95 95 SER H H 95 7.922 7.922 8.021 -0.099 19637 414 1 1 . 1 1 96 96 LYS N N 96 120.924 120.924 119.828 1.096 19637 415 1 1 . 1 1 96 96 LYS CA C 96 54.599 54.599 57.540 -2.941 19637 416 1 1 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.775 -1.409 19637 417 1 1 . 1 1 96 96 LYS H H 96 8.555 8.555 8.281 0.274 19637 418 1 1 . 1 1 97 97 PHE N N 97 117.773 117.773 113.909 3.864 19637 419 1 1 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.148 -0.460 19637 420 1 1 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.726 -0.404 19637 421 1 1 . 1 1 97 97 PHE H H 97 7.596 7.596 6.986 0.610 19637 422 1 1 . 1 1 98 98 ARG N N 98 120.982 120.982 121.240 -0.258 19637 423 1 1 . 1 1 98 98 ARG C C 98 173.047 173.047 174.429 -1.382 19637 424 1 1 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.511 -1.040 19637 425 1 1 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.336 0.296 19637 426 1 1 . 1 1 98 98 ARG H H 98 8.823 8.823 8.904 -0.081 19637 427 1 1 . 1 1 100 100 TYR N N 100 117.775 117.775 112.199 5.576 19637 428 1 1 . 1 1 100 100 TYR C C 100 173.047 173.047 173.176 -0.129 19637 429 1 1 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.823 -1.869 19637 430 1 1 . 1 1 100 100 TYR CB C 100 39.524 39.524 37.828 1.696 19637 431 1 1 . 1 1 100 100 TYR H H 100 8.885 8.885 8.295 0.590 19637 432 1 1 . 1 1 101 101 VAL N N 101 111.744 111.744 123.991 -12.247 19637 433 1 1 . 1 1 101 101 VAL C C 101 173.457 173.457 175.428 -1.971 19637 434 1 1 . 1 1 101 101 VAL CA C 101 57.105 57.105 62.013 -4.907 19637 435 1 1 . 1 1 101 101 VAL CB C 101 34.381 34.381 32.851 1.530 19637 436 1 1 . 1 1 101 101 VAL H H 101 8.365 8.365 8.668 -0.303 19637 437 1 1 . 1 1 102 102 GLY N N 102 108.300 108.300 115.162 -6.862 19637 438 1 1 . 1 1 102 102 GLY C C 102 171.241 171.241 171.844 -0.603 19637 439 1 1 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.802 0.170 19637 440 1 1 . 1 1 102 102 GLY H H 102 8.271 8.271 8.973 -0.702 19637 441 1 1 . 1 1 103 103 ALA N N 103 120.836 120.836 121.602 -0.766 19637 442 1 1 . 1 1 103 103 ALA C C 103 175.614 175.614 175.426 0.188 19637 443 1 1 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.526 -1.693 19637 444 1 1 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.078 -0.360 19637 445 1 1 . 1 1 103 103 ALA H H 103 9.048 9.048 8.398 0.650 19637 446 1 1 . 1 1 104 104 GLY N N 104 107.477 107.477 110.507 -3.030 19637 447 1 1 . 1 1 104 104 GLY C C 104 171.832 171.832 173.311 -1.479 19637 448 1 1 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.502 1.976 19637 449 1 1 . 1 1 104 104 GLY H H 104 8.661 8.661 8.701 -0.040 19637 450 1 1 . 1 1 105 105 ILE N N 105 118.575 118.575 126.820 -8.245 19637 451 1 1 . 1 1 105 105 ILE C C 105 172.275 172.275 175.122 -2.847 19637 452 1 1 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.001 -2.652 19637 453 1 1 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.311 1.341 19637 454 1 1 . 1 1 105 105 ILE H H 105 9.020 9.020 8.720 0.300 19637 455 1 1 . 1 1 106 106 ASN N N 106 123.879 123.879 125.542 -1.663 19637 456 1 1 . 1 1 106 106 ASN C C 106 171.418 171.418 174.045 -2.627 19637 457 1 1 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.675 -1.091 19637 458 1 1 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.102 0.752 19637 459 1 1 . 1 1 106 106 ASN H H 106 9.659 9.659 8.393 1.266 19637 460 1 1 . 1 1 107 107 TYR N N 107 125.744 125.744 128.779 -3.035 19637 461 1 1 . 1 1 107 107 TYR C C 107 173.073 173.073 175.190 -2.117 19637 462 1 1 . 1 1 107 107 TYR CA C 107 54.504 54.504 58.069 -3.564 19637 463 1 1 . 1 1 107 107 TYR CB C 107 40.854 40.854 37.991 2.863 19637 464 1 1 . 1 1 107 107 TYR H H 107 8.273 8.273 8.563 -0.290 19637 465 1 1 . 1 1 108 108 THR N N 108 119.337 119.337 125.813 -6.476 19637 466 1 1 . 1 1 108 108 THR C C 108 172.457 172.457 173.646 -1.189 19637 467 1 1 . 1 1 108 108 THR CA C 108 60.452 60.452 61.685 -1.233 19637 468 1 1 . 1 1 108 108 THR CB C 108 69.319 69.319 69.918 -0.599 19637 469 1 1 . 1 1 108 108 THR H H 108 8.446 8.446 8.485 -0.039 19637 470 1 1 . 1 1 109 109 THR N N 109 118.655 118.655 120.391 -1.736 19637 471 1 1 . 1 1 109 109 THR C C 109 171.625 171.625 172.703 -1.078 19637 472 1 1 . 1 1 109 109 THR CA C 109 56.810 56.810 60.983 -4.173 19637 473 1 1 . 1 1 109 109 THR H H 109 7.548 7.548 8.350 -0.802 19637 474 1 1 . 1 1 112 112 ASP N N 112 116.796 116.796 116.040 0.756 19637 475 1 1 . 1 1 112 112 ASP C C 112 175.490 175.490 175.168 0.322 19637 476 1 1 . 1 1 112 112 ASP CA C 112 53.884 53.884 52.817 1.067 19637 477 1 1 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.173 -4.511 19637 478 1 1 . 1 1 112 112 ASP H H 112 8.995 8.995 8.291 0.704 19637 479 1 1 . 1 1 113 113 ASN N N 113 117.801 117.801 118.143 -0.342 19637 480 1 1 . 1 1 113 113 ASN C C 113 175.702 175.702 175.875 -0.173 19637 481 1 1 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.393 -2.657 19637 482 1 1 . 1 1 113 113 ASN CB C 113 39.348 39.348 39.692 -0.344 19637 483 1 1 . 1 1 113 113 ASN H H 113 8.410 8.410 8.604 -0.194 19637 484 1 1 . 1 1 114 114 GLY N N 114 107.744 107.744 105.838 1.906 19637 485 1 1 . 1 1 114 114 GLY C C 114 171.979 171.979 173.579 -1.600 19637 486 1 1 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.425 0.369 19637 487 1 1 . 1 1 114 114 GLY H H 114 8.557 8.557 7.926 0.631 19637 488 1 1 . 1 1 115 115 PHE N N 115 119.554 119.554 117.649 1.905 19637 489 1 1 . 1 1 115 115 PHE C C 115 176.192 176.192 174.076 2.116 19637 490 1 1 . 1 1 115 115 PHE CA C 115 57.490 57.490 57.773 -0.283 19637 491 1 1 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.699 0.382 19637 492 1 1 . 1 1 115 115 PHE H H 115 8.607 8.607 7.189 1.418 19637 493 1 1 . 1 1 116 116 ASN N N 116 120.356 120.356 117.150 3.206 19637 494 1 1 . 1 1 116 116 ASN C C 116 175.407 175.407 175.888 -0.481 19637 495 1 1 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.374 -2.303 19637 496 1 1 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.390 -4.349 19637 497 1 1 . 1 1 116 116 ASN H H 116 8.240 8.240 8.448 -0.208 19637 498 1 1 . 1 1 117 117 ASP N N 117 117.610 117.610 120.062 -2.452 19637 499 1 1 . 1 1 117 117 ASP C C 117 178.298 178.298 177.950 0.348 19637 500 1 1 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.118 -0.770 19637 501 1 1 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.180 -1.632 19637 502 1 1 . 1 1 117 117 ASP H H 117 8.460 8.460 8.978 -0.518 19637 503 1 1 . 1 1 118 118 HIS N N 118 118.493 118.493 120.253 -1.760 19637 504 1 1 . 1 1 118 118 HIS C C 118 177.821 177.821 177.581 0.240 19637 505 1 1 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.956 -2.190 19637 506 1 1 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.629 -2.902 19637 507 1 1 . 1 1 118 118 HIS H H 118 8.185 8.185 8.288 -0.103 19637 508 1 1 . 1 1 119 119 GLY N N 119 107.937 107.937 107.204 0.733 19637 509 1 1 . 1 1 119 119 GLY C C 119 175.082 175.082 176.091 -1.009 19637 510 1 1 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.997 -0.385 19637 511 1 1 . 1 1 119 119 GLY H H 119 8.788 8.788 8.796 -0.008 19637 512 1 1 . 1 1 120 120 LYS N N 120 122.898 122.898 121.983 0.915 19637 513 1 1 . 1 1 120 120 LYS C C 120 181.612 181.612 179.453 2.159 19637 514 1 1 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.308 -0.591 19637 515 1 1 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.182 -1.526 19637 516 1 1 . 1 1 120 120 LYS H H 120 8.890 8.890 8.496 0.394 19637 517 1 1 . 1 1 121 121 GLU N N 121 120.995 120.995 119.400 1.595 19637 518 1 1 . 1 1 121 121 GLU C C 121 177.327 177.327 177.077 0.250 19637 519 1 1 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.659 -1.006 19637 520 1 1 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.596 -1.866 19637 521 1 1 . 1 1 121 121 GLU H H 121 8.234 8.234 7.818 0.416 19637 522 1 1 . 1 1 122 122 ALA N N 122 119.811 119.811 119.083 0.728 19637 523 1 1 . 1 1 122 122 ALA C C 122 176.500 176.500 177.701 -1.201 19637 524 1 1 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.519 -0.477 19637 525 1 1 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.572 -2.862 19637 526 1 1 . 1 1 122 122 ALA H H 122 7.259 7.259 7.460 -0.201 19637 527 1 1 . 1 1 123 123 GLY N N 123 103.863 103.863 108.821 -4.958 19637 528 1 1 . 1 1 123 123 GLY C C 123 175.082 175.082 174.143 0.939 19637 529 1 1 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.593 -2.329 19637 530 1 1 . 1 1 123 123 GLY H H 123 7.745 7.745 7.812 -0.067 19637 531 1 1 . 1 1 124 124 LEU N N 124 123.722 123.722 116.312 7.410 19637 532 1 1 . 1 1 124 124 LEU C C 124 176.293 176.293 175.744 0.549 19637 533 1 1 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.309 -0.040 19637 534 1 1 . 1 1 124 124 LEU CB C 124 38.016 38.016 45.164 -7.149 19637 535 1 1 . 1 1 124 124 LEU H H 124 7.461 7.461 7.737 -0.276 19637 536 1 1 . 1 1 125 125 SER N N 125 114.112 114.112 114.099 0.013 19637 537 1 1 . 1 1 125 125 SER C C 125 173.250 173.250 174.697 -1.447 19637 538 1 1 . 1 1 125 125 SER CA C 125 57.259 57.259 59.883 -2.624 19637 539 1 1 . 1 1 125 125 SER CB C 125 65.684 65.684 63.648 2.036 19637 540 1 1 . 1 1 125 125 SER H H 125 8.809 8.809 8.605 0.204 19637 541 1 1 . 1 1 126 126 ASP N N 126 117.817 117.817 118.027 -0.210 19637 542 1 1 . 1 1 126 126 ASP C C 126 174.107 174.107 176.327 -2.220 19637 543 1 1 . 1 1 126 126 ASP CA C 126 54.593 54.593 56.930 -2.337 19637 544 1 1 . 1 1 126 126 ASP CB C 126 38.726 38.726 39.735 -1.009 19637 545 1 1 . 1 1 126 126 ASP H H 126 9.035 9.035 8.794 0.241 19637 546 1 1 . 1 1 127 127 LEU N N 127 120.160 120.160 119.634 0.526 19637 547 1 1 . 1 1 127 127 LEU C C 127 176.726 176.726 178.968 -2.242 19637 548 1 1 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.410 -3.039 19637 549 1 1 . 1 1 127 127 LEU CB C 127 40.322 40.322 40.948 -0.626 19637 550 1 1 . 1 1 127 127 LEU H H 127 8.109 8.109 8.182 -0.073 19637 551 1 1 . 1 1 128 128 SER N N 128 120.909 120.909 111.195 9.714 19637 552 1 1 . 1 1 128 128 SER C C 128 172.038 172.038 174.945 -2.907 19637 553 1 1 . 1 1 128 128 SER CA C 128 57.120 57.120 60.038 -2.918 19637 554 1 1 . 1 1 128 128 SER CB C 128 64.353 64.353 62.661 1.692 19637 555 1 1 . 1 1 128 128 SER H H 128 9.499 9.499 7.800 1.699 19637 556 1 1 . 1 1 129 129 LEU N N 129 122.260 122.260 126.205 -3.945 19637 557 1 1 . 1 1 129 129 LEU C C 129 176.411 176.411 176.109 0.302 19637 558 1 1 . 1 1 129 129 LEU CA C 129 53.839 53.839 56.041 -2.202 19637 559 1 1 . 1 1 129 129 LEU CB C 129 42.539 42.539 40.715 1.824 19637 560 1 1 . 1 1 129 129 LEU H H 129 8.182 8.182 7.941 0.241 19637 561 1 1 . 1 1 130 130 LYS N N 130 122.490 122.490 125.647 -3.157 19637 562 1 1 . 1 1 130 130 LYS C C 130 176.754 176.754 175.121 1.633 19637 563 1 1 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.413 0.630 19637 564 1 1 . 1 1 130 130 LYS CB C 130 32.518 32.518 36.026 -3.508 19637 565 1 1 . 1 1 130 130 LYS H H 130 7.536 7.536 8.279 -0.743 19637 566 1 1 . 1 1 131 131 ASP N N 131 123.217 123.217 118.628 4.589 19637 567 1 1 . 1 1 131 131 ASP C C 131 175.998 175.998 174.733 1.265 19637 568 1 1 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.969 -0.509 19637 569 1 1 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.107 -0.874 19637 570 1 1 . 1 1 131 131 ASP H H 131 8.782 8.782 8.523 0.259 19637 571 1 1 . 1 1 132 132 SER N N 132 115.445 115.445 113.901 1.544 19637 572 1 1 . 1 1 132 132 SER C C 132 171.920 171.920 172.139 -0.219 19637 573 1 1 . 1 1 132 132 SER CA C 132 55.790 55.790 58.269 -2.479 19637 574 1 1 . 1 1 132 132 SER CB C 132 64.087 64.087 65.586 -1.499 19637 575 1 1 . 1 1 132 132 SER H H 132 9.016 9.016 8.314 0.702 19637 576 1 1 . 1 1 133 133 TRP N N 133 124.389 124.389 120.091 4.298 19637 577 1 1 . 1 1 133 133 TRP C C 133 178.243 178.243 177.025 1.218 19637 578 1 1 . 1 1 133 133 TRP CA C 133 55.309 55.309 55.956 -0.647 19637 579 1 1 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.834 -0.433 19637 580 1 1 . 1 1 133 133 TRP H H 133 7.896 7.896 8.397 -0.501 19637 581 1 1 . 1 1 134 134 GLY N N 134 107.658 107.658 112.301 -4.643 19637 582 1 1 . 1 1 134 134 GLY C C 134 171.123 171.123 173.637 -2.514 19637 583 1 1 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.093 0.657 19637 584 1 1 . 1 1 134 134 GLY H H 134 8.896 8.896 8.802 0.094 19637 585 1 1 . 1 1 135 135 ALA N N 135 122.244 122.244 126.541 -4.297 19637 586 1 1 . 1 1 135 135 ALA C C 135 174.875 174.875 175.943 -1.068 19637 587 1 1 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.675 -0.534 19637 588 1 1 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.008 -0.702 19637 589 1 1 . 1 1 135 135 ALA H H 135 8.946 8.946 7.630 1.316 19637 590 1 1 . 1 1 136 136 ALA N N 136 118.579 118.579 127.260 -8.681 19637 591 1 1 . 1 1 136 136 ALA C C 136 175.434 175.434 175.225 0.209 19637 592 1 1 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.172 -1.678 19637 593 1 1 . 1 1 136 136 ALA CB C 136 23.207 23.207 22.241 0.967 19637 594 1 1 . 1 1 136 136 ALA H H 136 8.111 8.111 8.183 -0.072 19637 595 1 1 . 1 1 137 137 GLY N N 137 105.005 105.005 108.621 -3.616 19637 596 1 1 . 1 1 137 137 GLY C C 137 171.300 171.300 173.965 -2.665 19637 597 1 1 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.049 -1.867 19637 598 1 1 . 1 1 137 137 GLY H H 137 8.933 8.933 8.505 0.428 19637 599 1 1 . 1 1 138 138 GLN N N 138 115.695 115.695 120.837 -5.142 19637 600 1 1 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.597 -1.334 19637 601 1 1 . 1 1 138 138 GLN H H 138 8.559 8.559 8.445 0.114 19637 602 1 1 . 1 1 140 140 GLY N N 140 110.307 110.307 106.771 3.536 19637 603 1 1 . 1 1 140 140 GLY C C 140 171.329 171.329 171.404 -0.075 19637 604 1 1 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.116 0.501 19637 605 1 1 . 1 1 140 140 GLY H H 140 7.936 7.936 7.751 0.185 19637 606 1 1 . 1 1 141 141 VAL N N 141 112.233 112.233 114.213 -1.980 19637 607 1 1 . 1 1 141 141 VAL C C 141 171.979 171.979 173.733 -1.754 19637 608 1 1 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.380 0.534 19637 609 1 1 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.869 -0.932 19637 610 1 1 . 1 1 141 141 VAL H H 141 8.646 8.646 8.589 0.057 19637 611 1 1 . 1 1 142 142 ASP N N 142 122.520 122.520 126.220 -3.700 19637 612 1 1 . 1 1 142 142 ASP C C 142 175.259 175.259 174.686 0.573 19637 613 1 1 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.523 -0.812 19637 614 1 1 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.467 -0.687 19637 615 1 1 . 1 1 142 142 ASP H H 142 7.402 7.402 8.635 -1.233 19637 616 1 1 . 1 1 143 143 TYR N N 143 122.331 122.331 124.555 -2.224 19637 617 1 1 . 1 1 143 143 TYR C C 143 173.870 173.870 175.449 -1.579 19637 618 1 1 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.926 -2.978 19637 619 1 1 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.603 0.162 19637 620 1 1 . 1 1 143 143 TYR H H 143 9.396 9.396 8.898 0.498 19637 621 1 1 . 1 1 144 144 LEU N N 144 130.341 130.341 124.261 6.080 19637 622 1 1 . 1 1 144 144 LEU C C 144 174.786 174.786 176.064 -1.278 19637 623 1 1 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.149 0.375 19637 624 1 1 . 1 1 144 144 LEU CB C 144 40.677 40.677 40.311 0.366 19637 625 1 1 . 1 1 144 144 LEU H H 144 8.313 8.313 8.819 -0.506 19637 626 1 1 . 1 1 145 145 ILE N N 145 124.602 124.602 122.219 2.383 19637 627 1 1 . 1 1 145 145 ILE C C 145 177.593 177.593 176.614 0.979 19637 628 1 1 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.826 -2.729 19637 629 1 1 . 1 1 145 145 ILE CB C 145 36.864 36.864 37.105 -0.242 19637 630 1 1 . 1 1 145 145 ILE H H 145 8.809 8.809 7.999 0.810 19637 631 1 1 . 1 1 146 146 ASN N N 146 118.348 118.348 116.069 2.279 19637 632 1 1 . 1 1 146 146 ASN CA C 146 51.318 51.318 51.972 -0.654 19637 633 1 1 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.117 -3.165 19637 634 1 1 . 1 1 146 146 ASN H H 146 8.362 8.362 7.622 0.740 19637 635 1 1 . 1 1 147 147 ARG N N 147 113.940 113.940 118.181 -4.241 19637 636 1 1 . 1 1 147 147 ARG C C 147 176.470 176.470 175.786 0.684 19637 637 1 1 . 1 1 147 147 ARG CA C 147 58.584 58.584 57.087 1.496 19637 638 1 1 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.885 -2.180 19637 639 1 1 . 1 1 147 147 ARG H H 147 8.072 8.072 8.287 -0.215 19637 640 1 1 . 1 1 148 148 ASP N N 148 112.938 112.938 116.911 -3.973 19637 641 1 1 . 1 1 148 148 ASP C C 148 174.373 174.373 174.656 -0.283 19637 642 1 1 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.489 -0.162 19637 643 1 1 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.320 0.308 19637 644 1 1 . 1 1 148 148 ASP H H 148 7.668 7.668 8.163 -0.495 19637 645 1 1 . 1 1 149 149 TRP N N 149 116.148 116.148 116.273 -0.125 19637 646 1 1 . 1 1 149 149 TRP C C 149 175.574 175.574 173.356 2.218 19637 647 1 1 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.884 -0.398 19637 648 1 1 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.026 1.694 19637 649 1 1 . 1 1 149 149 TRP H H 149 7.788 7.788 7.219 0.569 19637 650 1 1 . 1 1 150 150 LEU N N 150 118.106 118.106 119.385 -1.279 19637 651 1 1 . 1 1 150 150 LEU C C 150 175.141 175.141 175.406 -0.265 19637 652 1 1 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.839 -1.684 19637 653 1 1 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.970 -0.569 19637 654 1 1 . 1 1 150 150 LEU H H 150 9.306 9.306 9.143 0.163 19637 655 1 1 . 1 1 151 151 VAL N N 151 115.211 115.211 113.485 1.726 19637 656 1 1 . 1 1 151 151 VAL C C 151 173.524 173.524 174.178 -0.654 19637 657 1 1 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.582 -1.283 19637 658 1 1 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.315 -0.466 19637 659 1 1 . 1 1 151 151 VAL H H 151 9.293 9.293 8.828 0.465 19637 660 1 1 . 1 1 152 152 ASN N N 152 124.526 124.526 124.566 -0.040 19637 661 1 1 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.212 -1.457 19637 662 1 1 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.788 0.840 19637 663 1 1 . 1 1 152 152 ASN H H 152 8.893 8.893 9.183 -0.290 19637 664 1 1 . 1 1 153 153 MET N N 153 118.533 118.533 123.364 -4.831 19637 665 1 1 . 1 1 153 153 MET C C 153 173.987 173.987 174.281 -0.294 19637 666 1 1 . 1 1 153 153 MET CA C 153 54.017 54.017 55.187 -1.170 19637 667 1 1 . 1 1 153 153 MET CB C 153 36.243 36.243 36.172 0.070 19637 668 1 1 . 1 1 153 153 MET H H 153 8.003 8.003 9.079 -1.076 19637 669 1 1 . 1 1 154 154 SER N N 154 113.225 113.225 117.865 -4.640 19637 670 1 1 . 1 1 154 154 SER C C 154 172.120 172.120 172.871 -0.751 19637 671 1 1 . 1 1 154 154 SER CA C 154 56.550 56.550 57.906 -1.356 19637 672 1 1 . 1 1 154 154 SER CB C 154 64.619 64.619 66.648 -2.030 19637 673 1 1 . 1 1 154 154 SER H H 154 9.191 9.191 9.081 0.110 19637 674 1 1 . 1 1 155 155 VAL N N 155 119.543 119.543 114.513 5.030 19637 675 1 1 . 1 1 155 155 VAL C C 155 173.973 173.973 174.420 -0.447 19637 676 1 1 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.312 -1.929 19637 677 1 1 . 1 1 155 155 VAL H H 155 9.190 9.190 8.360 0.830 19637 678 1 1 . 1 1 156 156 TRP N N 156 124.596 124.596 121.927 2.669 19637 679 1 1 . 1 1 156 156 TRP C C 156 175.237 175.237 175.063 0.174 19637 680 1 1 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.305 -4.042 19637 681 1 1 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.401 0.827 19637 682 1 1 . 1 1 156 156 TRP H H 156 9.883 9.883 8.738 1.145 19637 683 1 1 . 1 1 160 160 ILE N N 160 123.211 123.211 121.023 2.188 19637 684 1 1 . 1 1 160 160 ILE C C 160 173.545 173.545 172.920 0.625 19637 685 1 1 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.851 0.418 19637 686 1 1 . 1 1 160 160 ILE H H 160 7.948 7.948 8.255 -0.307 19637 687 1 1 . 1 1 161 161 ASP N N 161 128.357 128.357 127.085 1.272 19637 688 1 1 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.188 -0.767 19637 689 1 1 . 1 1 161 161 ASP CB C 161 41.830 41.830 44.654 -2.824 19637 690 1 1 . 1 1 161 161 ASP H H 161 8.302 8.302 8.420 -0.118 19637 691 1 1 . 1 1 162 162 THR N N 162 117.472 117.472 118.466 -0.994 19637 692 1 1 . 1 1 162 162 THR CA C 162 57.259 57.259 61.294 -4.035 19637 693 1 1 . 1 1 162 162 THR CB C 162 68.167 68.167 71.767 -3.600 19637 694 1 1 . 1 1 162 162 THR H H 162 8.788 8.788 8.427 0.361 19637 695 1 1 . 1 1 163 163 THR N N 163 120.189 120.189 116.652 3.537 19637 696 1 1 . 1 1 163 163 THR CA C 163 60.629 60.629 60.925 -0.296 19637 697 1 1 . 1 1 163 163 THR CB C 163 68.278 68.278 70.054 -1.776 19637 698 1 1 . 1 1 163 163 THR H H 163 8.429 8.429 8.721 -0.292 19637 699 1 1 . 1 1 164 164 ALA N N 164 127.991 127.991 127.468 0.523 19637 700 1 1 . 1 1 164 164 ALA C C 164 174.993 174.993 175.614 -0.621 19637 701 1 1 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.723 -1.533 19637 702 1 1 . 1 1 164 164 ALA CB C 164 18.951 18.951 20.259 -1.308 19637 703 1 1 . 1 1 164 164 ALA H H 164 9.428 9.428 8.803 0.625 19637 704 1 1 . 1 1 165 165 ASN N N 165 122.214 122.214 120.659 1.555 19637 705 1 1 . 1 1 165 165 ASN C C 165 173.047 173.047 173.131 -0.084 19637 706 1 1 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.356 -2.216 19637 707 1 1 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.042 0.014 19637 708 1 1 . 1 1 165 165 ASN H H 165 9.216 9.216 8.643 0.573 19637 709 1 1 . 1 1 166 166 TYR N N 166 116.330 116.330 117.446 -1.116 19637 710 1 1 . 1 1 166 166 TYR C C 166 172.260 172.260 173.470 -1.210 19637 711 1 1 . 1 1 166 166 TYR CA C 166 55.397 55.397 58.354 -2.957 19637 712 1 1 . 1 1 166 166 TYR CB C 166 37.662 37.662 41.294 -3.631 19637 713 1 1 . 1 1 166 166 TYR H H 166 7.816 7.816 8.212 -0.396 19637 714 1 1 . 1 1 167 167 LYS N N 167 117.734 117.734 121.288 -3.554 19637 715 1 1 . 1 1 167 167 LYS C C 167 174.760 174.760 176.066 -1.306 19637 716 1 1 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.300 -1.549 19637 717 1 1 . 1 1 167 167 LYS CB C 167 34.381 34.381 32.522 1.859 19637 718 1 1 . 1 1 167 167 LYS H H 167 9.100 9.100 8.151 0.949 19637 719 1 1 . 1 1 168 168 LEU N N 168 121.623 121.623 122.495 -0.872 19637 720 1 1 . 1 1 168 168 LEU C C 168 177.877 177.877 177.308 0.569 19637 721 1 1 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.430 -1.921 19637 722 1 1 . 1 1 168 168 LEU CB C 168 42.894 42.894 40.724 2.170 19637 723 1 1 . 1 1 168 168 LEU H H 168 8.372 8.372 8.166 0.206 19637 724 1 1 . 1 1 169 169 GLY N N 169 119.264 119.264 110.798 8.466 19637 725 1 1 . 1 1 169 169 GLY C C 169 175.602 175.602 175.117 0.485 19637 726 1 1 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.582 1.675 19637 727 1 1 . 1 1 169 169 GLY H H 169 9.603 9.603 8.583 1.020 19637 728 1 1 . 1 1 170 170 GLY N N 170 104.659 104.659 104.375 0.284 19637 729 1 1 . 1 1 170 170 GLY C C 170 172.570 172.570 174.353 -1.783 19637 730 1 1 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.610 -1.570 19637 731 1 1 . 1 1 170 170 GLY H H 170 8.381 8.381 8.929 -0.548 19637 732 1 1 . 1 1 171 171 ALA N N 171 123.570 123.570 121.774 1.796 19637 733 1 1 . 1 1 171 171 ALA C C 171 177.569 177.569 175.360 2.209 19637 734 1 1 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.211 -1.318 19637 735 1 1 . 1 1 171 171 ALA CB C 171 18.330 18.330 21.660 -3.330 19637 736 1 1 . 1 1 171 171 ALA H H 171 7.650 7.650 7.795 -0.145 19637 737 1 1 . 1 1 172 172 GLN N N 172 124.057 124.057 119.543 4.514 19637 738 1 1 . 1 1 172 172 GLN C C 172 174.869 174.869 175.752 -0.883 19637 739 1 1 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.243 0.775 19637 740 1 1 . 1 1 172 172 GLN CB C 172 28.173 28.173 29.840 -1.667 19637 741 1 1 . 1 1 172 172 GLN H H 172 8.840 8.840 8.643 0.197 19637 742 1 1 . 1 1 173 173 GLN N N 173 124.328 124.328 126.344 -2.016 19637 743 1 1 . 1 1 173 173 GLN C C 173 174.953 174.953 174.275 0.678 19637 744 1 1 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.867 -2.712 19637 745 1 1 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.702 -1.287 19637 746 1 1 . 1 1 173 173 GLN H H 173 9.023 9.023 8.030 0.993 19637 747 1 1 . 1 1 174 174 HIS N N 174 115.629 115.629 112.383 3.246 19637 748 1 1 . 1 1 174 174 HIS C C 174 173.103 173.103 172.835 0.268 19637 749 1 1 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.919 -1.473 19637 750 1 1 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.768 -1.087 19637 751 1 1 . 1 1 174 174 HIS H H 174 8.227 8.227 8.051 0.176 19637 752 1 1 . 1 1 175 175 ASP N N 175 120.615 120.615 123.939 -3.324 19637 753 1 1 . 1 1 175 175 ASP C C 175 175.013 175.013 175.219 -0.206 19637 754 1 1 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.154 -0.423 19637 755 1 1 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.404 0.707 19637 756 1 1 . 1 1 175 175 ASP H H 175 8.964 8.964 8.360 0.604 19637 757 1 1 . 1 1 176 176 SER N N 176 118.175 118.175 120.006 -1.831 19637 758 1 1 . 1 1 176 176 SER C C 176 173.496 173.496 173.977 -0.481 19637 759 1 1 . 1 1 176 176 SER CA C 176 57.697 57.697 58.686 -0.989 19637 760 1 1 . 1 1 176 176 SER CB C 176 62.757 62.757 63.728 -0.971 19637 761 1 1 . 1 1 176 176 SER H H 176 9.137 9.137 8.677 0.460 19637 762 1 1 . 1 1 177 177 VAL N N 177 123.737 123.737 126.152 -2.415 19637 763 1 1 . 1 1 177 177 VAL C C 177 173.398 173.398 174.789 -1.391 19637 764 1 1 . 1 1 177 177 VAL CA C 177 60.277 60.277 60.852 -0.575 19637 765 1 1 . 1 1 177 177 VAL CB C 177 32.518 32.518 34.397 -1.879 19637 766 1 1 . 1 1 177 177 VAL H H 177 8.492 8.492 8.963 -0.471 19637 767 1 1 . 1 1 178 178 ARG N N 178 127.628 127.628 125.637 1.991 19637 768 1 1 . 1 1 178 178 ARG C C 178 175.097 175.097 174.317 0.780 19637 769 1 1 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.325 -0.308 19637 770 1 1 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.846 -3.697 19637 771 1 1 . 1 1 178 178 ARG H H 178 8.513 8.513 8.364 0.149 19637 772 1 1 . 1 1 182 182 TRP N N 182 115.616 115.616 120.190 -4.574 19637 773 1 1 . 1 1 182 182 TRP C C 182 176.613 176.613 175.685 0.928 19637 774 1 1 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.757 -2.529 19637 775 1 1 . 1 1 182 182 TRP CB C 182 31.809 31.809 28.032 3.777 19637 776 1 1 . 1 1 182 182 TRP H H 182 7.491 7.491 8.366 -0.875 19637 777 1 1 . 1 1 183 183 VAL N N 183 121.618 121.618 118.293 3.325 19637 778 1 1 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.737 -2.109 19637 779 1 1 . 1 1 183 183 VAL CB C 183 32.696 32.696 32.559 0.137 19637 780 1 1 . 1 1 183 183 VAL H H 183 9.372 9.372 7.681 1.691 19637 781 1 1 . 1 1 185 185 MET N N 185 129.032 129.032 125.096 3.936 19637 782 1 1 . 1 1 185 185 MET C C 185 172.186 172.186 174.320 -2.134 19637 783 1 1 . 1 1 185 185 MET CA C 185 53.091 53.091 54.014 -0.923 19637 784 1 1 . 1 1 185 185 MET CB C 185 33.405 33.405 33.496 -0.091 19637 785 1 1 . 1 1 185 185 MET H H 185 9.615 9.615 8.544 1.071 19637 786 1 1 . 1 1 186 186 PHE N N 186 124.085 124.085 121.552 2.533 19637 787 1 1 . 1 1 186 186 PHE C C 186 174.816 174.816 173.681 1.135 19637 788 1 1 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.104 -0.973 19637 789 1 1 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.556 -0.968 19637 790 1 1 . 1 1 186 186 PHE H H 186 7.976 7.976 7.700 0.276 19637 791 1 1 . 1 1 187 187 SER N N 187 116.369 116.369 116.996 -0.627 19637 792 1 1 . 1 1 187 187 SER C C 187 171.305 171.305 172.900 -1.595 19637 793 1 1 . 1 1 187 187 SER CA C 187 57.348 57.348 57.363 -0.015 19637 794 1 1 . 1 1 187 187 SER CB C 187 66.127 66.127 65.991 0.136 19637 795 1 1 . 1 1 187 187 SER H H 187 9.355 9.355 9.003 0.352 19637 796 1 1 . 1 1 188 188 ALA N N 188 119.248 119.248 124.102 -4.854 19637 797 1 1 . 1 1 188 188 ALA C C 188 175.996 175.996 177.011 -1.015 19637 798 1 1 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.907 -2.822 19637 799 1 1 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.637 0.442 19637 800 1 1 . 1 1 188 188 ALA H H 188 8.300 8.300 8.600 -0.300 19637 801 1 1 . 1 1 189 189 GLY N N 189 104.914 104.914 107.451 -2.537 19637 802 1 1 . 1 1 189 189 GLY C C 189 170.650 170.650 172.352 -1.702 19637 803 1 1 . 1 1 189 189 GLY CA C 189 44.046 44.046 44.730 -0.684 19637 804 1 1 . 1 1 189 189 GLY H H 189 9.235 9.235 8.875 0.360 19637 805 1 1 . 1 1 190 190 TYR N N 190 121.149 121.149 119.851 1.298 19637 806 1 1 . 1 1 190 190 TYR C C 190 173.608 173.608 173.274 0.334 19637 807 1 1 . 1 1 190 190 TYR CA C 190 55.131 55.131 54.950 0.181 19637 808 1 1 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.374 0.988 19637 809 1 1 . 1 1 190 190 TYR H H 190 8.865 8.865 8.789 0.076 19637 810 1 1 . 1 1 191 191 ARG N N 191 125.697 125.697 123.273 2.424 19637 811 1 1 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.692 -3.163 19637 812 1 1 . 1 1 191 191 ARG CB C 191 29.947 29.947 29.466 0.481 19637 813 1 1 . 1 1 191 191 ARG H H 191 7.469 7.469 8.525 -1.056 19637 814 1 2 . 1 1 2 2 HIS N N 2 119.214 119.214 117.557 1.657 19637 815 1 2 . 1 1 2 2 HIS C C 2 171.081 171.081 173.531 -2.450 19637 816 1 2 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.859 -3.571 19637 817 1 2 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.992 -7.696 19637 818 1 2 . 1 1 2 2 HIS H H 2 8.422 8.422 8.362 0.060 19637 819 1 2 . 1 1 3 3 GLU N N 3 113.500 113.500 117.080 -3.580 19637 820 1 2 . 1 1 3 3 GLU C C 3 174.619 174.619 174.396 0.223 19637 821 1 2 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.628 -1.966 19637 822 1 2 . 1 1 3 3 GLU CB C 3 29.415 29.415 30.582 -1.167 19637 823 1 2 . 1 1 3 3 GLU H H 3 6.642 6.642 7.740 -1.098 19637 824 1 2 . 1 1 4 4 ALA N N 4 120.680 120.680 122.390 -1.710 19637 825 1 2 . 1 1 4 4 ALA C C 4 178.439 178.439 177.913 0.526 19637 826 1 2 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.804 -0.428 19637 827 1 2 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.788 -0.345 19637 828 1 2 . 1 1 4 4 ALA H H 4 8.701 8.701 8.273 0.428 19637 829 1 2 . 1 1 5 5 GLY N N 5 112.786 112.786 108.908 3.878 19637 830 1 2 . 1 1 5 5 GLY C C 5 173.309 173.309 174.328 -1.019 19637 831 1 2 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.042 -1.489 19637 832 1 2 . 1 1 5 5 GLY H H 5 9.294 9.294 7.973 1.321 19637 833 1 2 . 1 1 6 6 GLU N N 6 121.755 121.755 119.834 1.921 19637 834 1 2 . 1 1 6 6 GLU C C 6 173.693 173.693 174.963 -1.270 19637 835 1 2 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.839 0.179 19637 836 1 2 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.576 0.612 19637 837 1 2 . 1 1 6 6 GLU H H 6 7.955 7.955 7.812 0.143 19637 838 1 2 . 1 1 7 7 PHE N N 7 124.802 124.802 121.207 3.595 19637 839 1 2 . 1 1 7 7 PHE C C 7 174.039 174.039 174.153 -0.114 19637 840 1 2 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.227 -1.893 19637 841 1 2 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.999 0.742 19637 842 1 2 . 1 1 7 7 PHE H H 7 8.648 8.648 8.545 0.103 19637 843 1 2 . 1 1 8 8 PHE N N 8 121.132 121.132 125.778 -4.646 19637 844 1 2 . 1 1 8 8 PHE C C 8 171.861 171.861 174.329 -2.468 19637 845 1 2 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.501 -1.952 19637 846 1 2 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.439 -2.762 19637 847 1 2 . 1 1 8 8 PHE H H 8 8.574 8.574 9.293 -0.719 19637 848 1 2 . 1 1 9 9 MET N N 9 120.391 120.391 117.889 2.502 19637 849 1 2 . 1 1 9 9 MET C C 9 174.166 174.166 173.311 0.855 19637 850 1 2 . 1 1 9 9 MET CA C 9 52.199 52.199 54.913 -2.713 19637 851 1 2 . 1 1 9 9 MET CB C 9 37.307 37.307 37.328 -0.021 19637 852 1 2 . 1 1 9 9 MET H H 9 8.541 8.541 9.000 -0.459 19637 853 1 2 . 1 1 10 10 ARG N N 10 117.892 117.892 120.941 -3.049 19637 854 1 2 . 1 1 10 10 ARG C C 10 175.289 175.289 173.668 1.621 19637 855 1 2 . 1 1 10 10 ARG CA C 10 53.446 53.446 53.867 -0.421 19637 856 1 2 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.271 -2.905 19637 857 1 2 . 1 1 10 10 ARG H H 10 8.357 8.357 8.411 -0.054 19637 858 1 2 . 1 1 11 11 ALA N N 11 119.664 119.664 122.533 -2.869 19637 859 1 2 . 1 1 11 11 ALA C C 11 176.057 176.057 177.088 -1.031 19637 860 1 2 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.939 -2.307 19637 861 1 2 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.358 1.159 19637 862 1 2 . 1 1 11 11 ALA H H 11 9.154 9.154 8.403 0.751 19637 863 1 2 . 1 1 12 12 GLY N N 12 106.262 106.262 106.079 0.183 19637 864 1 2 . 1 1 12 12 GLY C C 12 172.068 172.068 173.460 -1.392 19637 865 1 2 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.792 0.357 19637 866 1 2 . 1 1 12 12 GLY H H 12 8.655 8.655 8.017 0.638 19637 867 1 2 . 1 1 13 13 SER N N 13 116.893 116.893 121.774 -4.881 19637 868 1 2 . 1 1 13 13 SER C C 13 173.604 173.604 171.693 1.911 19637 869 1 2 . 1 1 13 13 SER CA C 13 56.367 56.367 57.975 -1.608 19637 870 1 2 . 1 1 13 13 SER CB C 13 64.087 64.087 63.101 0.986 19637 871 1 2 . 1 1 13 13 SER H H 13 8.644 8.644 8.649 -0.005 19637 872 1 2 . 1 1 14 14 ALA N N 14 125.234 125.234 126.023 -0.789 19637 873 1 2 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.212 -0.585 19637 874 1 2 . 1 1 14 14 ALA CB C 14 18.330 18.330 22.654 -4.324 19637 875 1 2 . 1 1 14 14 ALA H H 14 9.120 9.120 8.413 0.707 19637 876 1 2 . 1 1 15 15 THR N N 15 121.303 121.303 121.041 0.262 19637 877 1 2 . 1 1 15 15 THR C C 15 175.230 175.230 173.711 1.519 19637 878 1 2 . 1 1 15 15 THR CA C 15 60.895 60.895 62.048 -1.153 19637 879 1 2 . 1 1 15 15 THR CB C 15 70.029 70.029 69.641 0.388 19637 880 1 2 . 1 1 15 15 THR H H 15 9.351 9.351 9.003 0.348 19637 881 1 2 . 1 1 16 16 VAL N N 16 126.781 126.781 127.721 -0.940 19637 882 1 2 . 1 1 16 16 VAL C C 16 174.432 174.432 176.161 -1.729 19637 883 1 2 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.423 -1.617 19637 884 1 2 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.758 -1.837 19637 885 1 2 . 1 1 16 16 VAL H H 16 9.110 9.110 8.859 0.251 19637 886 1 2 . 1 1 17 17 ARG N N 17 129.806 129.806 128.754 1.052 19637 887 1 2 . 1 1 17 17 ARG C C 17 173.440 173.440 174.600 -1.160 19637 888 1 2 . 1 1 17 17 ARG CA C 17 51.407 51.407 54.586 -3.179 19637 889 1 2 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.219 0.083 19637 890 1 2 . 1 1 17 17 ARG H H 17 9.325 9.325 8.424 0.901 19637 891 1 2 . 1 1 19 19 THR N N 19 114.402 114.402 108.723 5.679 19637 892 1 2 . 1 1 19 19 THR CA C 19 61.022 61.022 60.941 0.080 19637 893 1 2 . 1 1 19 19 THR CB C 19 69.142 69.142 70.024 -0.882 19637 894 1 2 . 1 1 19 19 THR H H 19 8.021 8.021 7.989 0.032 19637 895 1 2 . 1 1 20 20 GLU N N 20 123.598 123.598 119.135 4.463 19637 896 1 2 . 1 1 20 20 GLU C C 20 177.007 177.007 175.380 1.627 19637 897 1 2 . 1 1 20 20 GLU CA C 20 55.480 55.480 57.739 -2.259 19637 898 1 2 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.006 -0.212 19637 899 1 2 . 1 1 20 20 GLU H H 20 8.601 8.601 9.121 -0.520 19637 900 1 2 . 1 1 21 21 GLY N N 21 110.237 110.237 108.611 1.626 19637 901 1 2 . 1 1 21 21 GLY C C 21 174.077 174.077 173.964 0.113 19637 902 1 2 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.892 -0.231 19637 903 1 2 . 1 1 21 21 GLY H H 21 8.530 8.530 8.371 0.159 19637 904 1 2 . 1 1 22 22 ALA N N 22 123.476 123.476 122.817 0.659 19637 905 1 2 . 1 1 22 22 ALA C C 22 178.158 178.158 177.832 0.326 19637 906 1 2 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.301 -0.546 19637 907 1 2 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.140 -1.362 19637 908 1 2 . 1 1 22 22 ALA H H 22 8.279 8.279 8.247 0.032 19637 909 1 2 . 1 1 23 23 GLY N N 23 107.265 107.265 108.729 -1.464 19637 910 1 2 . 1 1 23 23 GLY C C 23 174.727 174.727 174.133 0.594 19637 911 1 2 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.578 -0.138 19637 912 1 2 . 1 1 23 23 GLY H H 23 8.452 8.452 8.073 0.379 19637 913 1 2 . 1 1 24 24 GLY N N 24 108.306 108.306 110.094 -1.788 19637 914 1 2 . 1 1 24 24 GLY C C 24 174.786 174.786 173.916 0.870 19637 915 1 2 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.564 -0.124 19637 916 1 2 . 1 1 24 24 GLY H H 24 8.221 8.221 7.918 0.303 19637 917 1 2 . 1 1 25 25 THR N N 25 114.381 114.381 113.714 0.667 19637 918 1 2 . 1 1 25 25 THR C C 25 175.170 175.170 173.336 1.834 19637 919 1 2 . 1 1 25 25 THR CA C 25 61.599 61.599 63.347 -1.748 19637 920 1 2 . 1 1 25 25 THR CB C 25 68.521 68.521 67.785 0.736 19637 921 1 2 . 1 1 25 25 THR H H 25 8.213 8.213 8.420 -0.207 19637 922 1 2 . 1 1 26 26 LEU N N 26 123.038 123.038 120.998 2.040 19637 923 1 2 . 1 1 26 26 LEU C C 26 177.918 177.918 175.006 2.912 19637 924 1 2 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.836 -0.154 19637 925 1 2 . 1 1 26 26 LEU CB C 26 40.145 40.145 43.121 -2.977 19637 926 1 2 . 1 1 26 26 LEU H H 26 8.425 8.425 7.775 0.650 19637 927 1 2 . 1 1 27 27 GLY N N 27 108.786 108.786 111.806 -3.020 19637 928 1 2 . 1 1 27 27 GLY C C 27 175.023 175.023 172.969 2.054 19637 929 1 2 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.343 -0.504 19637 930 1 2 . 1 1 27 27 GLY H H 27 8.260 8.260 8.137 0.123 19637 931 1 2 . 1 1 28 28 SER N N 28 116.175 116.175 115.043 1.132 19637 932 1 2 . 1 1 28 28 SER CA C 28 58.140 58.140 57.929 0.211 19637 933 1 2 . 1 1 28 28 SER CB C 28 62.846 62.846 64.759 -1.913 19637 934 1 2 . 1 1 28 28 SER H H 28 8.330 8.330 8.475 -0.145 19637 935 1 2 . 1 1 29 29 LEU N N 29 122.260 122.260 121.476 0.784 19637 936 1 2 . 1 1 29 29 LEU C C 29 177.512 177.512 176.483 1.029 19637 937 1 2 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.229 -0.813 19637 938 1 2 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.641 -2.319 19637 939 1 2 . 1 1 29 29 LEU H H 29 8.157 8.157 8.285 -0.128 19637 940 1 2 . 1 1 30 30 GLY N N 30 107.575 107.575 107.405 0.170 19637 941 1 2 . 1 1 30 30 GLY C C 30 174.225 174.225 174.083 0.142 19637 942 1 2 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.501 0.027 19637 943 1 2 . 1 1 30 30 GLY H H 30 8.144 8.144 8.599 -0.455 19637 944 1 2 . 1 1 31 31 GLY N N 31 107.996 107.996 106.135 1.861 19637 945 1 2 . 1 1 31 31 GLY C C 31 173.664 173.664 172.481 1.183 19637 946 1 2 . 1 1 31 31 GLY CA C 31 44.218 44.218 45.356 -1.138 19637 947 1 2 . 1 1 31 31 GLY H H 31 8.044 8.044 7.665 0.379 19637 948 1 2 . 1 1 32 32 PHE N N 32 119.248 119.248 119.908 -0.660 19637 949 1 2 . 1 1 32 32 PHE C C 32 175.495 175.495 175.663 -0.168 19637 950 1 2 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.477 -1.104 19637 951 1 2 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.183 -1.925 19637 952 1 2 . 1 1 32 32 PHE H H 32 8.181 8.181 8.480 -0.299 19637 953 1 2 . 1 1 33 33 SER N N 33 117.720 117.720 115.030 2.690 19637 954 1 2 . 1 1 33 33 SER C C 33 173.368 173.368 173.922 -0.554 19637 955 1 2 . 1 1 33 33 SER CA C 33 55.746 55.746 57.389 -1.643 19637 956 1 2 . 1 1 33 33 SER CB C 33 64.265 64.265 64.774 -0.509 19637 957 1 2 . 1 1 33 33 SER H H 33 8.771 8.771 8.349 0.422 19637 958 1 2 . 1 1 34 34 VAL N N 34 123.007 123.007 118.392 4.615 19637 959 1 2 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.138 -1.712 19637 960 1 2 . 1 1 34 34 VAL CB C 34 32.785 32.785 32.563 0.222 19637 961 1 2 . 1 1 34 34 VAL H H 34 8.525 8.525 8.084 0.441 19637 962 1 2 . 1 1 35 35 THR N N 35 115.459 115.459 114.695 0.764 19637 963 1 2 . 1 1 35 35 THR CA C 35 61.200 61.200 62.859 -1.659 19637 964 1 2 . 1 1 35 35 THR CB C 35 69.851 69.851 69.281 0.570 19637 965 1 2 . 1 1 35 35 THR H H 35 8.147 8.147 8.393 -0.246 19637 966 1 2 . 1 1 36 36 ASN N N 36 118.274 118.274 121.675 -3.401 19637 967 1 2 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.952 -1.545 19637 968 1 2 . 1 1 36 36 ASN CB C 36 38.105 38.105 38.578 -0.473 19637 969 1 2 . 1 1 36 36 ASN H H 36 8.719 8.719 8.480 0.239 19637 970 1 2 . 1 1 37 37 ASN N N 37 115.657 115.657 118.364 -2.707 19637 971 1 2 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.987 0.878 19637 972 1 2 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.504 3.808 19637 973 1 2 . 1 1 37 37 ASN H H 37 8.432 8.432 8.507 -0.075 19637 974 1 2 . 1 1 38 38 THR N N 38 122.444 122.444 115.863 6.581 19637 975 1 2 . 1 1 38 38 THR CA C 38 61.288 61.288 62.927 -1.639 19637 976 1 2 . 1 1 38 38 THR CB C 38 69.142 69.142 69.257 -0.115 19637 977 1 2 . 1 1 38 38 THR H H 38 8.095 8.095 8.350 -0.255 19637 978 1 2 . 1 1 40 40 LEU N N 40 120.457 120.457 121.751 -1.294 19637 979 1 2 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.609 -1.282 19637 980 1 2 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.298 -1.080 19637 981 1 2 . 1 1 40 40 LEU H H 40 6.902 6.902 7.731 -0.829 19637 982 1 2 . 1 1 41 41 GLY N N 41 111.223 111.223 109.936 1.287 19637 983 1 2 . 1 1 41 41 GLY C C 41 171.034 171.034 172.228 -1.194 19637 984 1 2 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.559 -1.716 19637 985 1 2 . 1 1 41 41 GLY H H 41 8.978 8.978 8.167 0.811 19637 986 1 2 . 1 1 42 42 LEU N N 42 122.123 122.123 119.293 2.830 19637 987 1 2 . 1 1 42 42 LEU C C 42 175.350 175.350 174.838 0.512 19637 988 1 2 . 1 1 42 42 LEU CA C 42 52.155 52.155 55.275 -3.120 19637 989 1 2 . 1 1 42 42 LEU CB C 42 45.377 45.377 47.334 -1.957 19637 990 1 2 . 1 1 42 42 LEU H H 42 8.679 8.679 8.613 0.066 19637 991 1 2 . 1 1 43 43 THR N N 43 109.917 109.917 114.523 -4.606 19637 992 1 2 . 1 1 43 43 THR C C 43 173.516 173.516 173.268 0.248 19637 993 1 2 . 1 1 43 43 THR CA C 43 58.057 58.057 62.186 -4.129 19637 994 1 2 . 1 1 43 43 THR CB C 43 70.029 70.029 71.844 -1.815 19637 995 1 2 . 1 1 43 43 THR H H 43 8.792 8.792 8.727 0.065 19637 996 1 2 . 1 1 44 44 PHE N N 44 118.699 118.699 123.274 -4.575 19637 997 1 2 . 1 1 44 44 PHE C C 44 173.917 173.917 174.578 -0.661 19637 998 1 2 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.720 -1.240 19637 999 1 2 . 1 1 44 44 PHE CB C 44 40.765 40.765 43.196 -2.431 19637 1000 1 2 . 1 1 44 44 PHE H H 44 8.566 8.566 9.287 -0.721 19637 1001 1 2 . 1 1 45 45 THR N N 45 118.229 118.229 117.775 0.454 19637 1002 1 2 . 1 1 45 45 THR C C 45 170.886 170.886 172.813 -1.927 19637 1003 1 2 . 1 1 45 45 THR CA C 45 60.097 60.097 61.374 -1.277 19637 1004 1 2 . 1 1 45 45 THR CB C 45 68.433 68.433 71.150 -2.717 19637 1005 1 2 . 1 1 45 45 THR H H 45 7.903 7.903 9.244 -1.341 19637 1006 1 2 . 1 1 46 46 TYR N N 46 124.450 124.450 127.210 -2.760 19637 1007 1 2 . 1 1 46 46 TYR C C 46 174.254 174.254 172.439 1.815 19637 1008 1 2 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.045 -1.895 19637 1009 1 2 . 1 1 46 46 TYR CB C 46 42.273 42.273 42.074 0.199 19637 1010 1 2 . 1 1 46 46 TYR H H 46 8.941 8.941 9.138 -0.197 19637 1011 1 2 . 1 1 47 47 MET N N 47 123.598 123.598 123.617 -0.019 19637 1012 1 2 . 1 1 47 47 MET C C 47 175.082 175.082 174.510 0.572 19637 1013 1 2 . 1 1 47 47 MET CA C 47 50.425 50.425 53.451 -3.026 19637 1014 1 2 . 1 1 47 47 MET CB C 47 26.222 26.222 35.289 -9.067 19637 1015 1 2 . 1 1 47 47 MET H H 47 7.798 7.798 8.047 -0.249 19637 1016 1 2 . 1 1 48 48 ALA N N 48 129.975 129.975 125.063 4.912 19637 1017 1 2 . 1 1 48 48 ALA C C 48 178.568 178.568 176.726 1.842 19637 1018 1 2 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.061 -0.756 19637 1019 1 2 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.731 -2.019 19637 1020 1 2 . 1 1 48 48 ALA H H 48 8.717 8.717 8.490 0.227 19637 1021 1 2 . 1 1 49 49 THR N N 49 106.011 106.011 110.134 -4.123 19637 1022 1 2 . 1 1 49 49 THR C C 49 171.950 171.950 172.107 -0.157 19637 1023 1 2 . 1 1 49 49 THR CA C 49 57.786 57.786 62.579 -4.793 19637 1024 1 2 . 1 1 49 49 THR CB C 49 70.535 70.535 67.620 2.915 19637 1025 1 2 . 1 1 49 49 THR H H 49 8.072 8.072 8.185 -0.113 19637 1026 1 2 . 1 1 50 50 ASP N N 50 114.062 114.062 120.215 -6.153 19637 1027 1 2 . 1 1 50 50 ASP C C 50 175.318 175.318 174.801 0.517 19637 1028 1 2 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.133 0.644 19637 1029 1 2 . 1 1 50 50 ASP CB C 50 39.790 39.790 39.608 0.182 19637 1030 1 2 . 1 1 50 50 ASP H H 50 8.390 8.390 8.030 0.360 19637 1031 1 2 . 1 1 51 51 ASN N N 51 111.850 111.850 113.133 -1.283 19637 1032 1 2 . 1 1 51 51 ASN C C 51 171.684 171.684 173.764 -2.080 19637 1033 1 2 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.402 0.014 19637 1034 1 2 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.232 3.001 19637 1035 1 2 . 1 1 51 51 ASN H H 51 7.887 7.887 8.414 -0.527 19637 1036 1 2 . 1 1 52 52 ILE N N 52 118.929 118.929 116.443 2.486 19637 1037 1 2 . 1 1 52 52 ILE C C 52 175.495 175.495 174.573 0.922 19637 1038 1 2 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.547 -0.899 19637 1039 1 2 . 1 1 52 52 ILE CB C 52 37.484 37.484 42.285 -4.801 19637 1040 1 2 . 1 1 52 52 ILE H H 52 7.707 7.707 7.306 0.401 19637 1041 1 2 . 1 1 53 53 GLY N N 53 114.998 114.998 112.565 2.433 19637 1042 1 2 . 1 1 53 53 GLY C C 53 171.536 171.536 172.012 -0.476 19637 1043 1 2 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.341 -1.409 19637 1044 1 2 . 1 1 53 53 GLY H H 53 8.678 8.678 8.649 0.029 19637 1045 1 2 . 1 1 54 54 VAL N N 54 118.327 118.327 117.876 0.451 19637 1046 1 2 . 1 1 54 54 VAL C C 54 173.309 173.309 174.092 -0.783 19637 1047 1 2 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.838 -1.190 19637 1048 1 2 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.514 -1.641 19637 1049 1 2 . 1 1 54 54 VAL H H 54 8.734 8.734 8.474 0.260 19637 1050 1 2 . 1 1 55 55 GLU N N 55 126.907 126.907 125.163 1.744 19637 1051 1 2 . 1 1 55 55 GLU C C 55 173.575 173.575 174.620 -1.045 19637 1052 1 2 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.559 -1.290 19637 1053 1 2 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.315 1.412 19637 1054 1 2 . 1 1 55 55 GLU H H 55 9.084 9.084 8.734 0.350 19637 1055 1 2 . 1 1 56 56 LEU N N 56 126.739 126.739 126.500 0.239 19637 1056 1 2 . 1 1 56 56 LEU C C 56 174.786 174.786 175.178 -0.392 19637 1057 1 2 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.538 -1.605 19637 1058 1 2 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.136 1.887 19637 1059 1 2 . 1 1 56 56 LEU H H 56 9.168 9.168 8.887 0.281 19637 1060 1 2 . 1 1 57 57 LEU N N 57 127.189 127.189 128.241 -1.052 19637 1061 1 2 . 1 1 57 57 LEU C C 57 174.579 174.579 174.659 -0.080 19637 1062 1 2 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.182 -1.091 19637 1063 1 2 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.886 -1.726 19637 1064 1 2 . 1 1 57 57 LEU H H 57 9.174 9.174 8.852 0.322 19637 1065 1 2 . 1 1 58 58 ALA N N 58 125.061 125.061 126.139 -1.078 19637 1066 1 2 . 1 1 58 58 ALA C C 58 172.925 172.925 175.442 -2.517 19637 1067 1 2 . 1 1 58 58 ALA CA C 58 48.924 48.924 51.334 -2.410 19637 1068 1 2 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.605 -1.526 19637 1069 1 2 . 1 1 58 58 ALA H H 58 9.435 9.435 8.854 0.581 19637 1070 1 2 . 1 1 59 59 ALA N N 59 116.911 116.911 124.129 -7.218 19637 1071 1 2 . 1 1 59 59 ALA C C 59 176.248 176.248 176.348 -0.100 19637 1072 1 2 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.245 -2.174 19637 1073 1 2 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.943 -1.284 19637 1074 1 2 . 1 1 59 59 ALA H H 59 6.833 6.833 8.192 -1.359 19637 1075 1 2 . 1 1 60 60 THR N N 60 105.771 105.771 114.030 -8.259 19637 1076 1 2 . 1 1 60 60 THR C C 60 170.975 170.975 173.221 -2.246 19637 1077 1 2 . 1 1 60 60 THR CA C 60 59.515 59.515 61.258 -1.743 19637 1078 1 2 . 1 1 60 60 THR CB C 60 63.487 63.487 68.241 -4.754 19637 1079 1 2 . 1 1 60 60 THR H H 60 7.718 7.718 8.450 -0.732 19637 1080 1 2 . 1 1 62 62 PHE N N 62 122.473 122.473 122.577 -0.104 19637 1081 1 2 . 1 1 62 62 PHE C C 62 174.934 174.934 174.462 0.472 19637 1082 1 2 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.349 -0.628 19637 1083 1 2 . 1 1 62 62 PHE CB C 62 39.613 39.613 42.114 -2.501 19637 1084 1 2 . 1 1 62 62 PHE H H 62 8.251 8.251 8.673 -0.422 19637 1085 1 2 . 1 1 63 63 ARG N N 63 118.016 118.016 122.497 -4.481 19637 1086 1 2 . 1 1 63 63 ARG C C 63 174.423 174.423 174.198 0.225 19637 1087 1 2 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.789 -2.142 19637 1088 1 2 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.252 -0.354 19637 1089 1 2 . 1 1 63 63 ARG H H 63 7.378 7.378 8.715 -1.337 19637 1090 1 2 . 1 1 64 64 HIS N N 64 120.040 120.040 124.905 -4.865 19637 1091 1 2 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.090 -3.137 19637 1092 1 2 . 1 1 64 64 HIS H H 64 8.588 8.588 8.203 0.385 19637 1093 1 2 . 1 1 66 66 ILE N N 66 122.668 122.668 121.239 1.429 19637 1094 1 2 . 1 1 66 66 ILE C C 66 175.141 175.141 176.569 -1.428 19637 1095 1 2 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.561 -2.598 19637 1096 1 2 . 1 1 66 66 ILE CB C 66 38.637 38.637 35.749 2.888 19637 1097 1 2 . 1 1 66 66 ILE H H 66 8.726 8.726 8.910 -0.184 19637 1098 1 2 . 1 1 67 67 GLY N N 67 114.948 114.948 117.752 -2.804 19637 1099 1 2 . 1 1 67 67 GLY C C 67 172.570 172.570 172.963 -0.393 19637 1100 1 2 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.793 -0.664 19637 1101 1 2 . 1 1 67 67 GLY H H 67 8.780 8.780 8.539 0.241 19637 1102 1 2 . 1 1 68 68 THR N N 68 106.079 106.079 113.790 -7.711 19637 1103 1 2 . 1 1 68 68 THR C C 68 175.574 175.574 173.670 1.904 19637 1104 1 2 . 1 1 68 68 THR CA C 68 58.672 58.672 61.455 -2.783 19637 1105 1 2 . 1 1 68 68 THR CB C 68 71.270 71.270 72.016 -0.746 19637 1106 1 2 . 1 1 68 68 THR H H 68 7.431 7.431 7.515 -0.084 19637 1107 1 2 . 1 1 69 69 ARG N N 69 122.303 122.303 125.151 -2.848 19637 1108 1 2 . 1 1 69 69 ARG C C 69 178.298 178.298 177.809 0.489 19637 1109 1 2 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.127 0.102 19637 1110 1 2 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.376 -2.203 19637 1111 1 2 . 1 1 69 69 ARG H H 69 8.783 8.783 9.062 -0.279 19637 1112 1 2 . 1 1 70 70 ALA N N 70 117.681 117.681 120.868 -3.187 19637 1113 1 2 . 1 1 70 70 ALA C C 70 179.281 179.281 178.531 0.750 19637 1114 1 2 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.358 -1.089 19637 1115 1 2 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.340 -0.365 19637 1116 1 2 . 1 1 70 70 ALA H H 70 8.262 8.262 8.378 -0.116 19637 1117 1 2 . 1 1 71 71 THR N N 71 105.486 105.486 106.971 -1.485 19637 1118 1 2 . 1 1 71 71 THR C C 71 176.136 176.136 175.620 0.516 19637 1119 1 2 . 1 1 71 71 THR CA C 71 60.895 60.895 61.980 -1.085 19637 1120 1 2 . 1 1 71 71 THR CB C 71 70.383 70.383 70.974 -0.591 19637 1121 1 2 . 1 1 71 71 THR H H 71 7.473 7.473 7.499 -0.026 19637 1122 1 2 . 1 1 72 72 GLY N N 72 111.099 111.099 113.573 -2.474 19637 1123 1 2 . 1 1 72 72 GLY C C 72 175.052 175.052 174.332 0.720 19637 1124 1 2 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.928 -1.881 19637 1125 1 2 . 1 1 72 72 GLY H H 72 8.194 8.194 7.940 0.254 19637 1126 1 2 . 1 1 73 73 ASP N N 73 121.919 121.919 118.560 3.359 19637 1127 1 2 . 1 1 73 73 ASP C C 73 177.889 177.889 175.621 2.268 19637 1128 1 2 . 1 1 73 73 ASP CA C 73 55.042 55.042 55.241 -0.199 19637 1129 1 2 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.773 -1.249 19637 1130 1 2 . 1 1 73 73 ASP H H 73 8.668 8.668 7.960 0.708 19637 1131 1 2 . 1 1 74 74 ILE N N 74 117.113 117.113 122.420 -5.307 19637 1132 1 2 . 1 1 74 74 ILE C C 74 175.013 175.013 174.600 0.413 19637 1133 1 2 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.120 -1.206 19637 1134 1 2 . 1 1 74 74 ILE CB C 74 41.297 41.297 39.119 2.178 19637 1135 1 2 . 1 1 74 74 ILE H H 74 9.327 9.327 8.593 0.734 19637 1136 1 2 . 1 1 75 75 ALA N N 75 121.329 121.329 120.856 0.473 19637 1137 1 2 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.930 -0.505 19637 1138 1 2 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.965 0.558 19637 1139 1 2 . 1 1 75 75 ALA H H 75 8.086 8.086 7.522 0.564 19637 1140 1 2 . 1 1 76 76 THR N N 76 116.168 116.168 116.903 -0.735 19637 1141 1 2 . 1 1 76 76 THR C C 76 173.043 173.043 173.280 -0.237 19637 1142 1 2 . 1 1 76 76 THR CA C 76 60.540 60.540 61.479 -0.939 19637 1143 1 2 . 1 1 76 76 THR CB C 76 69.674 69.674 69.258 0.416 19637 1144 1 2 . 1 1 76 76 THR H H 76 8.539 8.539 8.406 0.133 19637 1145 1 2 . 1 1 77 77 VAL N N 77 117.996 117.996 126.773 -8.777 19637 1146 1 2 . 1 1 77 77 VAL C C 77 174.964 174.964 174.493 0.471 19637 1147 1 2 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.792 -3.444 19637 1148 1 2 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.238 -0.212 19637 1149 1 2 . 1 1 77 77 VAL H H 77 8.578 8.578 8.535 0.043 19637 1150 1 2 . 1 1 78 78 HIS N N 78 116.541 116.541 125.132 -8.591 19637 1151 1 2 . 1 1 78 78 HIS C C 78 173.634 173.634 174.080 -0.446 19637 1152 1 2 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.856 -2.031 19637 1153 1 2 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.898 -2.951 19637 1154 1 2 . 1 1 78 78 HIS H H 78 7.822 7.822 8.747 -0.925 19637 1155 1 2 . 1 1 79 79 HIS N N 79 113.176 113.176 123.006 -9.830 19637 1156 1 2 . 1 1 79 79 HIS C C 79 173.841 173.841 174.792 -0.951 19637 1157 1 2 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.405 0.011 19637 1158 1 2 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.482 2.544 19637 1159 1 2 . 1 1 79 79 HIS H H 79 7.912 7.912 8.015 -0.103 19637 1160 1 2 . 1 1 80 80 LEU N N 80 118.153 118.153 122.209 -4.056 19637 1161 1 2 . 1 1 80 80 LEU C C 80 177.821 177.821 176.968 0.853 19637 1162 1 2 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.232 -1.073 19637 1163 1 2 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.270 3.993 19637 1164 1 2 . 1 1 80 80 LEU H H 80 8.205 8.205 8.602 -0.397 19637 1165 1 2 . 1 1 83 83 THR N N 83 115.326 115.326 115.364 -0.038 19637 1166 1 2 . 1 1 83 83 THR C C 83 171.362 171.362 173.574 -2.212 19637 1167 1 2 . 1 1 83 83 THR CA C 83 60.540 60.540 60.233 0.306 19637 1168 1 2 . 1 1 83 83 THR CB C 83 72.068 72.068 72.374 -0.306 19637 1169 1 2 . 1 1 83 83 THR H H 83 7.688 7.688 8.646 -0.958 19637 1170 1 2 . 1 1 84 84 LEU N N 84 129.848 129.848 122.900 6.948 19637 1171 1 2 . 1 1 84 84 LEU C C 84 174.373 174.373 174.997 -0.624 19637 1172 1 2 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.177 -1.756 19637 1173 1 2 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.641 -0.885 19637 1174 1 2 . 1 1 84 84 LEU H H 84 9.013 9.013 8.864 0.149 19637 1175 1 2 . 1 1 85 85 MET N N 85 121.374 121.374 122.751 -1.377 19637 1176 1 2 . 1 1 85 85 MET C C 85 175.407 175.407 174.262 1.145 19637 1177 1 2 . 1 1 85 85 MET CA C 85 52.421 52.421 53.086 -0.665 19637 1178 1 2 . 1 1 85 85 MET CB C 85 34.558 34.558 36.061 -1.503 19637 1179 1 2 . 1 1 85 85 MET H H 85 9.823 9.823 8.897 0.926 19637 1180 1 2 . 1 1 86 86 ALA N N 86 123.689 123.689 127.683 -3.994 19637 1181 1 2 . 1 1 86 86 ALA C C 86 176.205 176.205 175.942 0.263 19637 1182 1 2 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.773 -1.968 19637 1183 1 2 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.204 -1.253 19637 1184 1 2 . 1 1 86 86 ALA H H 86 9.080 9.080 8.964 0.116 19637 1185 1 2 . 1 1 87 87 GLN N N 87 116.548 116.548 121.576 -5.028 19637 1186 1 2 . 1 1 87 87 GLN C C 87 175.495 175.495 174.090 1.405 19637 1187 1 2 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.033 -1.675 19637 1188 1 2 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.250 1.042 19637 1189 1 2 . 1 1 87 87 GLN H H 87 9.061 9.061 8.774 0.287 19637 1190 1 2 . 1 1 88 88 TRP N N 88 119.609 119.609 130.020 -10.411 19637 1191 1 2 . 1 1 88 88 TRP C C 88 174.727 174.727 173.453 1.274 19637 1192 1 2 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.799 -0.845 19637 1193 1 2 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.831 -1.352 19637 1194 1 2 . 1 1 88 88 TRP H H 88 8.893 8.893 9.038 -0.145 19637 1195 1 2 . 1 1 89 89 TYR N N 89 124.849 124.849 128.811 -3.962 19637 1196 1 2 . 1 1 89 89 TYR C C 89 176.382 176.382 173.644 2.738 19637 1197 1 2 . 1 1 89 89 TYR CA C 89 55.042 55.042 58.211 -3.168 19637 1198 1 2 . 1 1 89 89 TYR H H 89 8.815 8.815 9.353 -0.538 19637 1199 1 2 . 1 1 90 90 PHE N N 90 122.137 122.137 127.314 -5.177 19637 1200 1 2 . 1 1 90 90 PHE C C 90 176.304 176.304 174.236 2.068 19637 1201 1 2 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.337 0.484 19637 1202 1 2 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.234 -1.774 19637 1203 1 2 . 1 1 90 90 PHE H H 90 9.171 9.171 7.334 1.837 19637 1204 1 2 . 1 1 91 91 GLY N N 91 108.961 108.961 114.807 -5.846 19637 1205 1 2 . 1 1 91 91 GLY C C 91 172.748 172.748 173.389 -0.641 19637 1206 1 2 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.697 -0.366 19637 1207 1 2 . 1 1 91 91 GLY H H 91 9.342 9.342 7.888 1.454 19637 1208 1 2 . 1 1 92 92 ASP N N 92 119.869 119.869 122.218 -2.349 19637 1209 1 2 . 1 1 92 92 ASP C C 92 175.968 175.968 175.376 0.592 19637 1210 1 2 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.975 -3.353 19637 1211 1 2 . 1 1 92 92 ASP CB C 92 41.563 41.563 40.645 0.918 19637 1212 1 2 . 1 1 92 92 ASP H H 92 8.612 8.612 8.128 0.484 19637 1213 1 2 . 1 1 93 93 ALA N N 93 117.665 117.665 127.919 -10.254 19637 1214 1 2 . 1 1 93 93 ALA C C 93 178.748 178.748 176.583 2.165 19637 1215 1 2 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.913 1.267 19637 1216 1 2 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.885 -3.974 19637 1217 1 2 . 1 1 93 93 ALA H H 93 8.673 8.673 8.406 0.267 19637 1218 1 2 . 1 1 94 94 SER N N 94 115.062 115.062 119.101 -4.039 19637 1219 1 2 . 1 1 94 94 SER C C 94 175.348 175.348 173.839 1.509 19637 1220 1 2 . 1 1 94 94 SER CA C 94 58.185 58.185 58.878 -0.693 19637 1221 1 2 . 1 1 94 94 SER CB C 94 62.757 62.757 62.425 0.332 19637 1222 1 2 . 1 1 94 94 SER H H 94 8.902 8.902 8.534 0.368 19637 1223 1 2 . 1 1 95 95 SER N N 95 120.754 120.754 119.369 1.385 19637 1224 1 2 . 1 1 95 95 SER CA C 95 58.451 58.451 56.660 1.791 19637 1225 1 2 . 1 1 95 95 SER CB C 95 62.580 62.580 63.753 -1.173 19637 1226 1 2 . 1 1 95 95 SER H H 95 7.922 7.922 7.730 0.192 19637 1227 1 2 . 1 1 96 96 LYS N N 96 120.924 120.924 121.320 -0.396 19637 1228 1 2 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.118 -1.519 19637 1229 1 2 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.184 -0.817 19637 1230 1 2 . 1 1 96 96 LYS H H 96 8.555 8.555 7.874 0.681 19637 1231 1 2 . 1 1 97 97 PHE N N 97 117.773 117.773 113.956 3.817 19637 1232 1 2 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.958 -1.270 19637 1233 1 2 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.377 -0.055 19637 1234 1 2 . 1 1 97 97 PHE H H 97 7.596 7.596 6.870 0.726 19637 1235 1 2 . 1 1 98 98 ARG N N 98 120.982 120.982 121.606 -0.624 19637 1236 1 2 . 1 1 98 98 ARG C C 98 173.047 173.047 174.346 -1.299 19637 1237 1 2 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.177 -0.706 19637 1238 1 2 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.724 -0.092 19637 1239 1 2 . 1 1 98 98 ARG H H 98 8.823 8.823 8.828 -0.005 19637 1240 1 2 . 1 1 100 100 TYR N N 100 117.775 117.775 113.227 4.548 19637 1241 1 2 . 1 1 100 100 TYR C C 100 173.047 173.047 173.065 -0.018 19637 1242 1 2 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.196 -2.242 19637 1243 1 2 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.007 0.517 19637 1244 1 2 . 1 1 100 100 TYR H H 100 8.885 8.885 8.375 0.510 19637 1245 1 2 . 1 1 101 101 VAL N N 101 111.744 111.744 123.438 -11.694 19637 1246 1 2 . 1 1 101 101 VAL C C 101 173.457 173.457 175.664 -2.207 19637 1247 1 2 . 1 1 101 101 VAL CA C 101 57.105 57.105 61.478 -4.373 19637 1248 1 2 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.702 2.679 19637 1249 1 2 . 1 1 101 101 VAL H H 101 8.365 8.365 8.281 0.084 19637 1250 1 2 . 1 1 102 102 GLY N N 102 108.300 108.300 114.124 -5.824 19637 1251 1 2 . 1 1 102 102 GLY C C 102 171.241 171.241 171.871 -0.630 19637 1252 1 2 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.451 1.521 19637 1253 1 2 . 1 1 102 102 GLY H H 102 8.271 8.271 8.570 -0.299 19637 1254 1 2 . 1 1 103 103 ALA N N 103 120.836 120.836 120.723 0.113 19637 1255 1 2 . 1 1 103 103 ALA C C 103 175.614 175.614 176.100 -0.486 19637 1256 1 2 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.789 -0.956 19637 1257 1 2 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.169 -0.451 19637 1258 1 2 . 1 1 103 103 ALA H H 103 9.048 9.048 8.264 0.784 19637 1259 1 2 . 1 1 104 104 GLY N N 104 107.477 107.477 110.992 -3.515 19637 1260 1 2 . 1 1 104 104 GLY C C 104 171.832 171.832 173.612 -1.780 19637 1261 1 2 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.912 1.567 19637 1262 1 2 . 1 1 104 104 GLY H H 104 8.661 8.661 8.424 0.237 19637 1263 1 2 . 1 1 105 105 ILE N N 105 118.575 118.575 126.920 -8.345 19637 1264 1 2 . 1 1 105 105 ILE C C 105 172.275 172.275 174.973 -2.698 19637 1265 1 2 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.375 -3.027 19637 1266 1 2 . 1 1 105 105 ILE CB C 105 41.652 41.652 39.747 1.905 19637 1267 1 2 . 1 1 105 105 ILE H H 105 9.020 9.020 8.987 0.033 19637 1268 1 2 . 1 1 106 106 ASN N N 106 123.879 123.879 126.567 -2.688 19637 1269 1 2 . 1 1 106 106 ASN C C 106 171.418 171.418 173.897 -2.479 19637 1270 1 2 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.587 -1.004 19637 1271 1 2 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.160 0.694 19637 1272 1 2 . 1 1 106 106 ASN H H 106 9.659 9.659 8.361 1.298 19637 1273 1 2 . 1 1 107 107 TYR N N 107 125.744 125.744 129.765 -4.021 19637 1274 1 2 . 1 1 107 107 TYR C C 107 173.073 173.073 174.773 -1.700 19637 1275 1 2 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.701 -3.197 19637 1276 1 2 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.234 1.619 19637 1277 1 2 . 1 1 107 107 TYR H H 107 8.273 8.273 8.485 -0.212 19637 1278 1 2 . 1 1 108 108 THR N N 108 119.337 119.337 124.589 -5.252 19637 1279 1 2 . 1 1 108 108 THR C C 108 172.457 172.457 173.683 -1.226 19637 1280 1 2 . 1 1 108 108 THR CA C 108 60.452 60.452 60.763 -0.311 19637 1281 1 2 . 1 1 108 108 THR CB C 108 69.319 69.319 71.349 -2.030 19637 1282 1 2 . 1 1 108 108 THR H H 108 8.446 8.446 8.789 -0.343 19637 1283 1 2 . 1 1 109 109 THR N N 109 118.655 118.655 117.518 1.137 19637 1284 1 2 . 1 1 109 109 THR C C 109 171.625 171.625 173.907 -2.282 19637 1285 1 2 . 1 1 109 109 THR CA C 109 56.810 56.810 60.030 -3.220 19637 1286 1 2 . 1 1 109 109 THR H H 109 7.548 7.548 8.396 -0.848 19637 1287 1 2 . 1 1 112 112 ASP N N 112 116.796 116.796 120.902 -4.106 19637 1288 1 2 . 1 1 112 112 ASP C C 112 175.490 175.490 173.766 1.724 19637 1289 1 2 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.845 -0.961 19637 1290 1 2 . 1 1 112 112 ASP CB C 112 37.662 37.662 43.612 -5.950 19637 1291 1 2 . 1 1 112 112 ASP H H 112 8.995 8.995 8.716 0.279 19637 1292 1 2 . 1 1 113 113 ASN N N 113 117.801 117.801 120.999 -3.198 19637 1293 1 2 . 1 1 113 113 ASN C C 113 175.702 175.702 175.654 0.048 19637 1294 1 2 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.013 -2.276 19637 1295 1 2 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.462 -1.114 19637 1296 1 2 . 1 1 113 113 ASN H H 113 8.410 8.410 8.531 -0.121 19637 1297 1 2 . 1 1 114 114 GLY N N 114 107.744 107.744 111.886 -4.142 19637 1298 1 2 . 1 1 114 114 GLY C C 114 171.979 171.979 174.687 -2.708 19637 1299 1 2 . 1 1 114 114 GLY CA C 114 44.794 44.794 46.133 -1.339 19637 1300 1 2 . 1 1 114 114 GLY H H 114 8.557 8.557 8.326 0.231 19637 1301 1 2 . 1 1 115 115 PHE N N 115 119.554 119.554 126.184 -6.630 19637 1302 1 2 . 1 1 115 115 PHE C C 115 176.192 176.192 174.645 1.547 19637 1303 1 2 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.464 -1.974 19637 1304 1 2 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.593 0.488 19637 1305 1 2 . 1 1 115 115 PHE H H 115 8.607 8.607 7.822 0.785 19637 1306 1 2 . 1 1 116 116 ASN N N 116 120.356 120.356 124.759 -4.403 19637 1307 1 2 . 1 1 116 116 ASN C C 116 175.407 175.407 175.141 0.266 19637 1308 1 2 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.448 -2.377 19637 1309 1 2 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.670 -3.629 19637 1310 1 2 . 1 1 116 116 ASN H H 116 8.240 8.240 7.497 0.743 19637 1311 1 2 . 1 1 117 117 ASP N N 117 117.610 117.610 121.232 -3.622 19637 1312 1 2 . 1 1 117 117 ASP C C 117 178.298 178.298 177.780 0.518 19637 1313 1 2 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.614 -1.266 19637 1314 1 2 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.880 -2.332 19637 1315 1 2 . 1 1 117 117 ASP H H 117 8.460 8.460 8.756 -0.296 19637 1316 1 2 . 1 1 118 118 HIS N N 118 118.493 118.493 118.061 0.432 19637 1317 1 2 . 1 1 118 118 HIS C C 118 177.821 177.821 176.919 0.902 19637 1318 1 2 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.547 -1.781 19637 1319 1 2 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.742 -3.015 19637 1320 1 2 . 1 1 118 118 HIS H H 118 8.185 8.185 8.228 -0.043 19637 1321 1 2 . 1 1 119 119 GLY N N 119 107.937 107.937 107.268 0.669 19637 1322 1 2 . 1 1 119 119 GLY C C 119 175.082 175.082 175.907 -0.825 19637 1323 1 2 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.650 -0.038 19637 1324 1 2 . 1 1 119 119 GLY H H 119 8.788 8.788 8.511 0.277 19637 1325 1 2 . 1 1 120 120 LYS N N 120 122.898 122.898 122.592 0.306 19637 1326 1 2 . 1 1 120 120 LYS C C 120 181.612 181.612 179.377 2.235 19637 1327 1 2 . 1 1 120 120 LYS CA C 120 58.717 58.717 58.867 -0.150 19637 1328 1 2 . 1 1 120 120 LYS CB C 120 30.656 30.656 31.818 -1.162 19637 1329 1 2 . 1 1 120 120 LYS H H 120 8.890 8.890 8.146 0.744 19637 1330 1 2 . 1 1 121 121 GLU N N 121 120.995 120.995 118.836 2.159 19637 1331 1 2 . 1 1 121 121 GLU C C 121 177.327 177.327 176.789 0.538 19637 1332 1 2 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.200 -0.548 19637 1333 1 2 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.459 -1.729 19637 1334 1 2 . 1 1 121 121 GLU H H 121 8.234 8.234 7.741 0.493 19637 1335 1 2 . 1 1 122 122 ALA N N 122 119.811 119.811 119.528 0.283 19637 1336 1 2 . 1 1 122 122 ALA C C 122 176.500 176.500 177.643 -1.143 19637 1337 1 2 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.489 -0.447 19637 1338 1 2 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.359 -2.649 19637 1339 1 2 . 1 1 122 122 ALA H H 122 7.259 7.259 7.191 0.068 19637 1340 1 2 . 1 1 123 123 GLY N N 123 103.863 103.863 107.708 -3.845 19637 1341 1 2 . 1 1 123 123 GLY C C 123 175.082 175.082 173.539 1.543 19637 1342 1 2 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.150 -0.886 19637 1343 1 2 . 1 1 123 123 GLY H H 123 7.745 7.745 7.803 -0.058 19637 1344 1 2 . 1 1 124 124 LEU N N 124 123.722 123.722 119.335 4.387 19637 1345 1 2 . 1 1 124 124 LEU C C 124 176.293 176.293 175.342 0.951 19637 1346 1 2 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.699 -1.430 19637 1347 1 2 . 1 1 124 124 LEU CB C 124 38.016 38.016 45.243 -7.227 19637 1348 1 2 . 1 1 124 124 LEU H H 124 7.461 7.461 7.988 -0.527 19637 1349 1 2 . 1 1 125 125 SER N N 125 114.112 114.112 118.498 -4.386 19637 1350 1 2 . 1 1 125 125 SER C C 125 173.250 173.250 174.233 -0.983 19637 1351 1 2 . 1 1 125 125 SER CA C 125 57.259 57.259 58.364 -1.105 19637 1352 1 2 . 1 1 125 125 SER CB C 125 65.684 65.684 63.542 2.142 19637 1353 1 2 . 1 1 125 125 SER H H 125 8.809 8.809 8.736 0.073 19637 1354 1 2 . 1 1 126 126 ASP N N 126 117.817 117.817 124.290 -6.473 19637 1355 1 2 . 1 1 126 126 ASP C C 126 174.107 174.107 176.445 -2.338 19637 1356 1 2 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.207 0.386 19637 1357 1 2 . 1 1 126 126 ASP CB C 126 38.726 38.726 39.373 -0.647 19637 1358 1 2 . 1 1 126 126 ASP H H 126 9.035 9.035 8.313 0.722 19637 1359 1 2 . 1 1 127 127 LEU N N 127 120.160 120.160 121.959 -1.799 19637 1360 1 2 . 1 1 127 127 LEU C C 127 176.726 176.726 176.636 0.090 19637 1361 1 2 . 1 1 127 127 LEU CA C 127 54.371 54.371 56.489 -2.118 19637 1362 1 2 . 1 1 127 127 LEU CB C 127 40.322 40.322 42.698 -2.376 19637 1363 1 2 . 1 1 127 127 LEU H H 127 8.109 8.109 8.010 0.099 19637 1364 1 2 . 1 1 128 128 SER N N 128 120.909 120.909 110.357 10.552 19637 1365 1 2 . 1 1 128 128 SER C C 128 172.038 172.038 174.795 -2.757 19637 1366 1 2 . 1 1 128 128 SER CA C 128 57.120 57.120 59.566 -2.446 19637 1367 1 2 . 1 1 128 128 SER CB C 128 64.353 64.353 62.432 1.921 19637 1368 1 2 . 1 1 128 128 SER H H 128 9.499 9.499 7.659 1.840 19637 1369 1 2 . 1 1 129 129 LEU N N 129 122.260 122.260 124.341 -2.081 19637 1370 1 2 . 1 1 129 129 LEU C C 129 176.411 176.411 177.322 -0.911 19637 1371 1 2 . 1 1 129 129 LEU CA C 129 53.839 53.839 56.013 -2.174 19637 1372 1 2 . 1 1 129 129 LEU CB C 129 42.539 42.539 41.117 1.422 19637 1373 1 2 . 1 1 129 129 LEU H H 129 8.182 8.182 8.702 -0.520 19637 1374 1 2 . 1 1 130 130 LYS N N 130 122.490 122.490 127.623 -5.133 19637 1375 1 2 . 1 1 130 130 LYS C C 130 176.754 176.754 175.603 1.151 19637 1376 1 2 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.112 -0.070 19637 1377 1 2 . 1 1 130 130 LYS CB C 130 32.518 32.518 35.144 -2.626 19637 1378 1 2 . 1 1 130 130 LYS H H 130 7.536 7.536 8.710 -1.174 19637 1379 1 2 . 1 1 131 131 ASP N N 131 123.217 123.217 119.298 3.919 19637 1380 1 2 . 1 1 131 131 ASP C C 131 175.998 175.998 175.140 0.858 19637 1381 1 2 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.244 -0.784 19637 1382 1 2 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.092 -0.859 19637 1383 1 2 . 1 1 131 131 ASP H H 131 8.782 8.782 8.370 0.412 19637 1384 1 2 . 1 1 132 132 SER N N 132 115.445 115.445 113.929 1.516 19637 1385 1 2 . 1 1 132 132 SER C C 132 171.920 171.920 171.842 0.078 19637 1386 1 2 . 1 1 132 132 SER CA C 132 55.790 55.790 57.958 -2.168 19637 1387 1 2 . 1 1 132 132 SER CB C 132 64.087 64.087 65.513 -1.426 19637 1388 1 2 . 1 1 132 132 SER H H 132 9.016 9.016 8.348 0.668 19637 1389 1 2 . 1 1 133 133 TRP N N 133 124.389 124.389 121.855 2.534 19637 1390 1 2 . 1 1 133 133 TRP C C 133 178.243 178.243 176.364 1.879 19637 1391 1 2 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.592 0.717 19637 1392 1 2 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.635 -0.234 19637 1393 1 2 . 1 1 133 133 TRP H H 133 7.896 7.896 8.076 -0.180 19637 1394 1 2 . 1 1 134 134 GLY N N 134 107.658 107.658 109.734 -2.076 19637 1395 1 2 . 1 1 134 134 GLY C C 134 171.123 171.123 171.978 -0.855 19637 1396 1 2 . 1 1 134 134 GLY CA C 134 44.750 44.750 43.720 1.030 19637 1397 1 2 . 1 1 134 134 GLY H H 134 8.896 8.896 8.612 0.284 19637 1398 1 2 . 1 1 135 135 ALA N N 135 122.244 122.244 121.325 0.919 19637 1399 1 2 . 1 1 135 135 ALA C C 135 174.875 174.875 175.310 -0.435 19637 1400 1 2 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.542 -0.401 19637 1401 1 2 . 1 1 135 135 ALA CB C 135 19.306 19.306 22.298 -2.992 19637 1402 1 2 . 1 1 135 135 ALA H H 135 8.946 8.946 8.480 0.466 19637 1403 1 2 . 1 1 136 136 ALA N N 136 118.579 118.579 124.121 -5.542 19637 1404 1 2 . 1 1 136 136 ALA C C 136 175.434 175.434 175.665 -0.231 19637 1405 1 2 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.516 -2.022 19637 1406 1 2 . 1 1 136 136 ALA CB C 136 23.207 23.207 22.275 0.932 19637 1407 1 2 . 1 1 136 136 ALA H H 136 8.111 8.111 8.276 -0.165 19637 1408 1 2 . 1 1 137 137 GLY N N 137 105.005 105.005 106.466 -1.461 19637 1409 1 2 . 1 1 137 137 GLY C C 137 171.300 171.300 173.796 -2.496 19637 1410 1 2 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.929 -1.748 19637 1411 1 2 . 1 1 137 137 GLY H H 137 8.933 8.933 8.436 0.497 19637 1412 1 2 . 1 1 138 138 GLN N N 138 115.695 115.695 120.599 -4.904 19637 1413 1 2 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.221 -0.958 19637 1414 1 2 . 1 1 138 138 GLN H H 138 8.559 8.559 8.547 0.012 19637 1415 1 2 . 1 1 140 140 GLY N N 140 110.307 110.307 114.056 -3.749 19637 1416 1 2 . 1 1 140 140 GLY C C 140 171.329 171.329 170.612 0.717 19637 1417 1 2 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.203 1.414 19637 1418 1 2 . 1 1 140 140 GLY H H 140 7.936 7.936 8.052 -0.116 19637 1419 1 2 . 1 1 141 141 VAL N N 141 112.233 112.233 119.032 -6.799 19637 1420 1 2 . 1 1 141 141 VAL C C 141 171.979 171.979 173.388 -1.409 19637 1421 1 2 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.565 -0.651 19637 1422 1 2 . 1 1 141 141 VAL CB C 141 33.937 33.937 36.022 -2.085 19637 1423 1 2 . 1 1 141 141 VAL H H 141 8.646 8.646 8.494 0.152 19637 1424 1 2 . 1 1 142 142 ASP N N 142 122.520 122.520 129.490 -6.970 19637 1425 1 2 . 1 1 142 142 ASP C C 142 175.259 175.259 174.558 0.701 19637 1426 1 2 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.191 -0.480 19637 1427 1 2 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.586 -0.805 19637 1428 1 2 . 1 1 142 142 ASP H H 142 7.402 7.402 8.735 -1.333 19637 1429 1 2 . 1 1 143 143 TYR N N 143 122.331 122.331 120.300 2.031 19637 1430 1 2 . 1 1 143 143 TYR C C 143 173.870 173.870 173.757 0.113 19637 1431 1 2 . 1 1 143 143 TYR CA C 143 54.948 54.948 55.866 -0.918 19637 1432 1 2 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.320 -0.555 19637 1433 1 2 . 1 1 143 143 TYR H H 143 9.396 9.396 8.630 0.766 19637 1434 1 2 . 1 1 144 144 LEU N N 144 130.341 130.341 122.441 7.900 19637 1435 1 2 . 1 1 144 144 LEU C C 144 174.786 174.786 175.623 -0.837 19637 1436 1 2 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.782 -0.258 19637 1437 1 2 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.770 -2.094 19637 1438 1 2 . 1 1 144 144 LEU H H 144 8.313 8.313 8.533 -0.220 19637 1439 1 2 . 1 1 145 145 ILE N N 145 124.602 124.602 120.921 3.681 19637 1440 1 2 . 1 1 145 145 ILE C C 145 177.593 177.593 175.957 1.636 19637 1441 1 2 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.381 -2.284 19637 1442 1 2 . 1 1 145 145 ILE CB C 145 36.864 36.864 40.734 -3.870 19637 1443 1 2 . 1 1 145 145 ILE H H 145 8.809 8.809 8.775 0.034 19637 1444 1 2 . 1 1 146 146 ASN N N 146 118.348 118.348 118.520 -0.172 19637 1445 1 2 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.531 -1.213 19637 1446 1 2 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.811 -2.859 19637 1447 1 2 . 1 1 146 146 ASN H H 146 8.362 8.362 8.566 -0.204 19637 1448 1 2 . 1 1 147 147 ARG N N 147 113.940 113.940 117.657 -3.717 19637 1449 1 2 . 1 1 147 147 ARG C C 147 176.470 176.470 175.918 0.552 19637 1450 1 2 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.497 -0.913 19637 1451 1 2 . 1 1 147 147 ARG CB C 147 28.705 28.705 28.084 0.621 19637 1452 1 2 . 1 1 147 147 ARG H H 147 8.072 8.072 8.625 -0.553 19637 1453 1 2 . 1 1 148 148 ASP N N 148 112.938 112.938 118.601 -5.663 19637 1454 1 2 . 1 1 148 148 ASP C C 148 174.373 174.373 174.604 -0.231 19637 1455 1 2 . 1 1 148 148 ASP CA C 148 54.327 54.327 55.528 -1.201 19637 1456 1 2 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.333 1.295 19637 1457 1 2 . 1 1 148 148 ASP H H 148 7.668 7.668 8.386 -0.718 19637 1458 1 2 . 1 1 149 149 TRP N N 149 116.148 116.148 116.556 -0.408 19637 1459 1 2 . 1 1 149 149 TRP C C 149 175.574 175.574 174.644 0.930 19637 1460 1 2 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.818 -0.332 19637 1461 1 2 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.442 0.278 19637 1462 1 2 . 1 1 149 149 TRP H H 149 7.788 7.788 7.619 0.169 19637 1463 1 2 . 1 1 150 150 LEU N N 150 118.106 118.106 121.593 -3.487 19637 1464 1 2 . 1 1 150 150 LEU C C 150 175.141 175.141 175.310 -0.169 19637 1465 1 2 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.754 -1.599 19637 1466 1 2 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.369 -0.968 19637 1467 1 2 . 1 1 150 150 LEU H H 150 9.306 9.306 8.941 0.365 19637 1468 1 2 . 1 1 151 151 VAL N N 151 115.211 115.211 118.797 -3.586 19637 1469 1 2 . 1 1 151 151 VAL C C 151 173.524 173.524 174.328 -0.804 19637 1470 1 2 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.103 -1.804 19637 1471 1 2 . 1 1 151 151 VAL CB C 151 33.849 33.849 32.529 1.320 19637 1472 1 2 . 1 1 151 151 VAL H H 151 9.293 9.293 8.563 0.730 19637 1473 1 2 . 1 1 152 152 ASN N N 152 124.526 124.526 125.713 -1.187 19637 1474 1 2 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.605 0.150 19637 1475 1 2 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.472 1.156 19637 1476 1 2 . 1 1 152 152 ASN H H 152 8.893 8.893 8.973 -0.080 19637 1477 1 2 . 1 1 153 153 MET N N 153 118.533 118.533 123.190 -4.657 19637 1478 1 2 . 1 1 153 153 MET C C 153 173.987 173.987 174.346 -0.359 19637 1479 1 2 . 1 1 153 153 MET CA C 153 54.017 54.017 55.273 -1.256 19637 1480 1 2 . 1 1 153 153 MET CB C 153 36.243 36.243 37.684 -1.441 19637 1481 1 2 . 1 1 153 153 MET H H 153 8.003 8.003 9.342 -1.339 19637 1482 1 2 . 1 1 154 154 SER N N 154 113.225 113.225 116.223 -2.998 19637 1483 1 2 . 1 1 154 154 SER C C 154 172.120 172.120 171.918 0.202 19637 1484 1 2 . 1 1 154 154 SER CA C 154 56.550 56.550 57.232 -0.682 19637 1485 1 2 . 1 1 154 154 SER CB C 154 64.619 64.619 66.088 -1.469 19637 1486 1 2 . 1 1 154 154 SER H H 154 9.191 9.191 9.124 0.067 19637 1487 1 2 . 1 1 155 155 VAL N N 155 119.543 119.543 118.346 1.197 19637 1488 1 2 . 1 1 155 155 VAL C C 155 173.973 173.973 173.093 0.880 19637 1489 1 2 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.892 -2.510 19637 1490 1 2 . 1 1 155 155 VAL H H 155 9.190 9.190 8.199 0.991 19637 1491 1 2 . 1 1 156 156 TRP N N 156 124.596 124.596 127.041 -2.445 19637 1492 1 2 . 1 1 156 156 TRP C C 156 175.237 175.237 174.260 0.977 19637 1493 1 2 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.431 -3.167 19637 1494 1 2 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.895 0.333 19637 1495 1 2 . 1 1 156 156 TRP H H 156 9.883 9.883 8.130 1.753 19637 1496 1 2 . 1 1 160 160 ILE N N 160 123.211 123.211 115.330 7.881 19637 1497 1 2 . 1 1 160 160 ILE C C 160 173.545 173.545 173.493 0.052 19637 1498 1 2 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.021 0.248 19637 1499 1 2 . 1 1 160 160 ILE H H 160 7.948 7.948 8.009 -0.061 19637 1500 1 2 . 1 1 161 161 ASP N N 161 128.357 128.357 123.398 4.959 19637 1501 1 2 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.707 -1.286 19637 1502 1 2 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.536 0.294 19637 1503 1 2 . 1 1 161 161 ASP H H 161 8.302 8.302 8.388 -0.086 19637 1504 1 2 . 1 1 162 162 THR N N 162 117.472 117.472 111.425 6.047 19637 1505 1 2 . 1 1 162 162 THR CA C 162 57.259 57.259 60.277 -3.018 19637 1506 1 2 . 1 1 162 162 THR CB C 162 68.167 68.167 71.335 -3.168 19637 1507 1 2 . 1 1 162 162 THR H H 162 8.788 8.788 7.655 1.133 19637 1508 1 2 . 1 1 163 163 THR N N 163 120.189 120.189 119.356 0.833 19637 1509 1 2 . 1 1 163 163 THR CA C 163 60.629 60.629 61.715 -1.085 19637 1510 1 2 . 1 1 163 163 THR CB C 163 68.278 68.278 69.486 -1.208 19637 1511 1 2 . 1 1 163 163 THR H H 163 8.429 8.429 8.571 -0.142 19637 1512 1 2 . 1 1 164 164 ALA N N 164 127.991 127.991 128.692 -0.701 19637 1513 1 2 . 1 1 164 164 ALA C C 164 174.993 174.993 175.421 -0.428 19637 1514 1 2 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.588 -1.398 19637 1515 1 2 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.341 -3.390 19637 1516 1 2 . 1 1 164 164 ALA H H 164 9.428 9.428 8.503 0.925 19637 1517 1 2 . 1 1 165 165 ASN N N 165 122.214 122.214 123.784 -1.570 19637 1518 1 2 . 1 1 165 165 ASN C C 165 173.047 173.047 173.689 -0.642 19637 1519 1 2 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.573 -1.432 19637 1520 1 2 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.573 -0.517 19637 1521 1 2 . 1 1 165 165 ASN H H 165 9.216 9.216 8.385 0.831 19637 1522 1 2 . 1 1 166 166 TYR N N 166 116.330 116.330 115.788 0.542 19637 1523 1 2 . 1 1 166 166 TYR C C 166 172.260 172.260 173.852 -1.592 19637 1524 1 2 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.017 -1.620 19637 1525 1 2 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.219 -1.557 19637 1526 1 2 . 1 1 166 166 TYR H H 166 7.816 7.816 7.158 0.658 19637 1527 1 2 . 1 1 167 167 LYS N N 167 117.734 117.734 121.825 -4.091 19637 1528 1 2 . 1 1 167 167 LYS C C 167 174.760 174.760 174.626 0.134 19637 1529 1 2 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.983 -1.232 19637 1530 1 2 . 1 1 167 167 LYS CB C 167 34.381 34.381 36.595 -2.214 19637 1531 1 2 . 1 1 167 167 LYS H H 167 9.100 9.100 7.902 1.198 19637 1532 1 2 . 1 1 168 168 LEU N N 168 121.623 121.623 119.410 2.213 19637 1533 1 2 . 1 1 168 168 LEU C C 168 177.877 177.877 176.358 1.519 19637 1534 1 2 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.885 -1.376 19637 1535 1 2 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.337 0.556 19637 1536 1 2 . 1 1 168 168 LEU H H 168 8.372 8.372 8.479 -0.107 19637 1537 1 2 . 1 1 169 169 GLY N N 169 119.264 119.264 108.725 10.539 19637 1538 1 2 . 1 1 169 169 GLY C C 169 175.602 175.602 174.840 0.762 19637 1539 1 2 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.593 0.664 19637 1540 1 2 . 1 1 169 169 GLY H H 169 9.603 9.603 8.582 1.021 19637 1541 1 2 . 1 1 170 170 GLY N N 170 104.659 104.659 109.711 -5.052 19637 1542 1 2 . 1 1 170 170 GLY C C 170 172.570 172.570 172.530 0.040 19637 1543 1 2 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.498 -1.458 19637 1544 1 2 . 1 1 170 170 GLY H H 170 8.381 8.381 8.314 0.067 19637 1545 1 2 . 1 1 171 171 ALA N N 171 123.570 123.570 123.722 -0.152 19637 1546 1 2 . 1 1 171 171 ALA C C 171 177.569 177.569 175.925 1.644 19637 1547 1 2 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.733 -1.840 19637 1548 1 2 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.599 -1.269 19637 1549 1 2 . 1 1 171 171 ALA H H 171 7.650 7.650 7.776 -0.126 19637 1550 1 2 . 1 1 172 172 GLN N N 172 124.057 124.057 120.813 3.244 19637 1551 1 2 . 1 1 172 172 GLN C C 172 174.869 174.869 175.653 -0.784 19637 1552 1 2 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.914 0.104 19637 1553 1 2 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.809 0.364 19637 1554 1 2 . 1 1 172 172 GLN H H 172 8.840 8.840 8.329 0.511 19637 1555 1 2 . 1 1 173 173 GLN N N 173 124.328 124.328 123.515 0.813 19637 1556 1 2 . 1 1 173 173 GLN C C 173 174.953 174.953 174.389 0.564 19637 1557 1 2 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.024 -2.869 19637 1558 1 2 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.641 -1.226 19637 1559 1 2 . 1 1 173 173 GLN H H 173 9.023 9.023 8.327 0.696 19637 1560 1 2 . 1 1 174 174 HIS N N 174 115.629 115.629 114.647 0.982 19637 1561 1 2 . 1 1 174 174 HIS C C 174 173.103 173.103 173.330 -0.227 19637 1562 1 2 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.887 -1.441 19637 1563 1 2 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.629 -1.948 19637 1564 1 2 . 1 1 174 174 HIS H H 174 8.227 8.227 8.146 0.081 19637 1565 1 2 . 1 1 175 175 ASP N N 175 120.615 120.615 123.522 -2.907 19637 1566 1 2 . 1 1 175 175 ASP C C 175 175.013 175.013 175.145 -0.132 19637 1567 1 2 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.075 -0.344 19637 1568 1 2 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.891 0.220 19637 1569 1 2 . 1 1 175 175 ASP H H 175 8.964 8.964 8.589 0.375 19637 1570 1 2 . 1 1 176 176 SER N N 176 118.175 118.175 119.044 -0.869 19637 1571 1 2 . 1 1 176 176 SER C C 176 173.496 173.496 174.928 -1.432 19637 1572 1 2 . 1 1 176 176 SER CA C 176 57.697 57.697 58.196 -0.499 19637 1573 1 2 . 1 1 176 176 SER CB C 176 62.757 62.757 63.439 -0.682 19637 1574 1 2 . 1 1 176 176 SER H H 176 9.137 9.137 8.659 0.478 19637 1575 1 2 . 1 1 177 177 VAL N N 177 123.737 123.737 128.592 -4.855 19637 1576 1 2 . 1 1 177 177 VAL C C 177 173.398 173.398 174.501 -1.103 19637 1577 1 2 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.506 -2.229 19637 1578 1 2 . 1 1 177 177 VAL CB C 177 32.518 32.518 31.750 0.768 19637 1579 1 2 . 1 1 177 177 VAL H H 177 8.492 8.492 8.642 -0.150 19637 1580 1 2 . 1 1 178 178 ARG N N 178 127.628 127.628 127.976 -0.348 19637 1581 1 2 . 1 1 178 178 ARG C C 178 175.097 175.097 174.630 0.467 19637 1582 1 2 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.934 -0.917 19637 1583 1 2 . 1 1 178 178 ARG CB C 178 29.149 29.149 30.500 -1.351 19637 1584 1 2 . 1 1 178 178 ARG H H 178 8.513 8.513 8.141 0.372 19637 1585 1 2 . 1 1 182 182 TRP N N 182 115.616 115.616 117.785 -2.169 19637 1586 1 2 . 1 1 182 182 TRP C C 182 176.613 176.613 175.485 1.128 19637 1587 1 2 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.855 -1.627 19637 1588 1 2 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.722 1.087 19637 1589 1 2 . 1 1 182 182 TRP H H 182 7.491 7.491 8.667 -1.176 19637 1590 1 2 . 1 1 183 183 VAL N N 183 121.618 121.618 119.866 1.752 19637 1591 1 2 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.456 -2.829 19637 1592 1 2 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.206 -1.510 19637 1593 1 2 . 1 1 183 183 VAL H H 183 9.372 9.372 8.762 0.610 19637 1594 1 2 . 1 1 185 185 MET N N 185 129.032 129.032 126.943 2.089 19637 1595 1 2 . 1 1 185 185 MET C C 185 172.186 172.186 174.775 -2.589 19637 1596 1 2 . 1 1 185 185 MET CA C 185 53.091 53.091 55.218 -2.127 19637 1597 1 2 . 1 1 185 185 MET CB C 185 33.405 33.405 34.404 -0.999 19637 1598 1 2 . 1 1 185 185 MET H H 185 9.615 9.615 8.347 1.268 19637 1599 1 2 . 1 1 186 186 PHE N N 186 124.085 124.085 119.920 4.165 19637 1600 1 2 . 1 1 186 186 PHE C C 186 174.816 174.816 173.714 1.102 19637 1601 1 2 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.458 -1.327 19637 1602 1 2 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.551 -0.963 19637 1603 1 2 . 1 1 186 186 PHE H H 186 7.976 7.976 8.099 -0.123 19637 1604 1 2 . 1 1 187 187 SER N N 187 116.369 116.369 117.864 -1.495 19637 1605 1 2 . 1 1 187 187 SER C C 187 171.305 171.305 172.535 -1.230 19637 1606 1 2 . 1 1 187 187 SER CA C 187 57.348 57.348 57.411 -0.063 19637 1607 1 2 . 1 1 187 187 SER CB C 187 66.127 66.127 66.587 -0.460 19637 1608 1 2 . 1 1 187 187 SER H H 187 9.355 9.355 9.089 0.266 19637 1609 1 2 . 1 1 188 188 ALA N N 188 119.248 119.248 123.368 -4.120 19637 1610 1 2 . 1 1 188 188 ALA C C 188 175.996 175.996 177.206 -1.210 19637 1611 1 2 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.668 -1.583 19637 1612 1 2 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.540 0.539 19637 1613 1 2 . 1 1 188 188 ALA H H 188 8.300 8.300 8.282 0.018 19637 1614 1 2 . 1 1 189 189 GLY N N 189 104.914 104.914 107.334 -2.420 19637 1615 1 2 . 1 1 189 189 GLY C C 189 170.650 170.650 172.672 -2.022 19637 1616 1 2 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.692 -1.646 19637 1617 1 2 . 1 1 189 189 GLY H H 189 9.235 9.235 8.257 0.978 19637 1618 1 2 . 1 1 190 190 TYR N N 190 121.149 121.149 122.402 -1.253 19637 1619 1 2 . 1 1 190 190 TYR C C 190 173.608 173.608 174.557 -0.949 19637 1620 1 2 . 1 1 190 190 TYR CA C 190 55.131 55.131 53.977 1.154 19637 1621 1 2 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.453 0.909 19637 1622 1 2 . 1 1 190 190 TYR H H 190 8.865 8.865 8.409 0.456 19637 1623 1 2 . 1 1 191 191 ARG N N 191 125.697 125.697 124.010 1.687 19637 1624 1 2 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.314 -2.785 19637 1625 1 2 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.130 -0.183 19637 1626 1 2 . 1 1 191 191 ARG H H 191 7.469 7.469 8.578 -1.109 19637 1627 1 3 . 1 1 2 2 HIS N N 2 119.214 119.214 114.086 5.128 19637 1628 1 3 . 1 1 2 2 HIS C C 2 171.081 171.081 172.829 -1.748 19637 1629 1 3 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.734 -3.446 19637 1630 1 3 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.377 -7.081 19637 1631 1 3 . 1 1 2 2 HIS H H 2 8.422 8.422 8.120 0.302 19637 1632 1 3 . 1 1 3 3 GLU N N 3 113.500 113.500 119.094 -5.594 19637 1633 1 3 . 1 1 3 3 GLU C C 3 174.619 174.619 174.704 -0.085 19637 1634 1 3 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.587 -0.925 19637 1635 1 3 . 1 1 3 3 GLU CB C 3 29.415 29.415 33.370 -3.955 19637 1636 1 3 . 1 1 3 3 GLU H H 3 6.642 6.642 8.005 -1.363 19637 1637 1 3 . 1 1 4 4 ALA N N 4 120.680 120.680 121.853 -1.173 19637 1638 1 3 . 1 1 4 4 ALA C C 4 178.439 178.439 178.398 0.041 19637 1639 1 3 . 1 1 4 4 ALA CA C 4 52.376 52.376 54.230 -1.854 19637 1640 1 3 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.154 -0.711 19637 1641 1 3 . 1 1 4 4 ALA H H 4 8.701 8.701 8.418 0.283 19637 1642 1 3 . 1 1 5 5 GLY N N 5 112.786 112.786 112.055 0.731 19637 1643 1 3 . 1 1 5 5 GLY C C 5 173.309 173.309 173.801 -0.492 19637 1644 1 3 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.854 -1.301 19637 1645 1 3 . 1 1 5 5 GLY H H 5 9.294 9.294 8.443 0.851 19637 1646 1 3 . 1 1 6 6 GLU N N 6 121.755 121.755 119.354 2.401 19637 1647 1 3 . 1 1 6 6 GLU C C 6 173.693 173.693 175.236 -1.543 19637 1648 1 3 . 1 1 6 6 GLU CA C 6 56.018 56.018 54.464 1.554 19637 1649 1 3 . 1 1 6 6 GLU CB C 6 31.188 31.188 33.102 -1.914 19637 1650 1 3 . 1 1 6 6 GLU H H 6 7.955 7.955 7.769 0.186 19637 1651 1 3 . 1 1 7 7 PHE N N 7 124.802 124.802 121.955 2.847 19637 1652 1 3 . 1 1 7 7 PHE C C 7 174.039 174.039 174.711 -0.672 19637 1653 1 3 . 1 1 7 7 PHE CA C 7 54.333 54.333 57.822 -3.489 19637 1654 1 3 . 1 1 7 7 PHE CB C 7 41.741 41.741 42.278 -0.537 19637 1655 1 3 . 1 1 7 7 PHE H H 7 8.648 8.648 8.918 -0.270 19637 1656 1 3 . 1 1 8 8 PHE N N 8 121.132 121.132 123.061 -1.929 19637 1657 1 3 . 1 1 8 8 PHE C C 8 171.861 171.861 174.290 -2.429 19637 1658 1 3 . 1 1 8 8 PHE CA C 8 54.549 54.549 57.155 -2.606 19637 1659 1 3 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.220 -3.543 19637 1660 1 3 . 1 1 8 8 PHE H H 8 8.574 8.574 9.473 -0.899 19637 1661 1 3 . 1 1 9 9 MET N N 9 120.391 120.391 119.821 0.570 19637 1662 1 3 . 1 1 9 9 MET C C 9 174.166 174.166 174.712 -0.546 19637 1663 1 3 . 1 1 9 9 MET CA C 9 52.199 52.199 54.917 -2.718 19637 1664 1 3 . 1 1 9 9 MET CB C 9 37.307 37.307 35.590 1.717 19637 1665 1 3 . 1 1 9 9 MET H H 9 8.541 8.541 9.373 -0.832 19637 1666 1 3 . 1 1 10 10 ARG N N 10 117.892 117.892 118.982 -1.090 19637 1667 1 3 . 1 1 10 10 ARG C C 10 175.289 175.289 174.142 1.147 19637 1668 1 3 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.633 -1.187 19637 1669 1 3 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.429 -4.063 19637 1670 1 3 . 1 1 10 10 ARG H H 10 8.357 8.357 8.963 -0.606 19637 1671 1 3 . 1 1 11 11 ALA N N 11 119.664 119.664 122.245 -2.581 19637 1672 1 3 . 1 1 11 11 ALA C C 11 176.057 176.057 176.385 -0.328 19637 1673 1 3 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.699 -1.067 19637 1674 1 3 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.464 1.054 19637 1675 1 3 . 1 1 11 11 ALA H H 11 9.154 9.154 8.249 0.905 19637 1676 1 3 . 1 1 12 12 GLY N N 12 106.262 106.262 107.599 -1.337 19637 1677 1 3 . 1 1 12 12 GLY C C 12 172.068 172.068 172.163 -0.095 19637 1678 1 3 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.773 0.376 19637 1679 1 3 . 1 1 12 12 GLY H H 12 8.655 8.655 8.420 0.235 19637 1680 1 3 . 1 1 13 13 SER N N 13 116.893 116.893 119.063 -2.170 19637 1681 1 3 . 1 1 13 13 SER C C 13 173.604 173.604 173.601 0.003 19637 1682 1 3 . 1 1 13 13 SER CA C 13 56.367 56.367 57.050 -0.683 19637 1683 1 3 . 1 1 13 13 SER CB C 13 64.087 64.087 64.475 -0.388 19637 1684 1 3 . 1 1 13 13 SER H H 13 8.644 8.644 8.415 0.229 19637 1685 1 3 . 1 1 14 14 ALA N N 14 125.234 125.234 130.289 -5.055 19637 1686 1 3 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.116 -1.489 19637 1687 1 3 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.195 -0.865 19637 1688 1 3 . 1 1 14 14 ALA H H 14 9.120 9.120 8.216 0.904 19637 1689 1 3 . 1 1 15 15 THR N N 15 121.303 121.303 122.348 -1.045 19637 1690 1 3 . 1 1 15 15 THR C C 15 175.230 175.230 174.127 1.103 19637 1691 1 3 . 1 1 15 15 THR CA C 15 60.895 60.895 61.134 -0.239 19637 1692 1 3 . 1 1 15 15 THR CB C 15 70.029 70.029 68.542 1.487 19637 1693 1 3 . 1 1 15 15 THR H H 15 9.351 9.351 8.421 0.930 19637 1694 1 3 . 1 1 16 16 VAL N N 16 126.781 126.781 127.468 -0.687 19637 1695 1 3 . 1 1 16 16 VAL C C 16 174.432 174.432 176.589 -2.157 19637 1696 1 3 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.701 -1.895 19637 1697 1 3 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.172 -1.250 19637 1698 1 3 . 1 1 16 16 VAL H H 16 9.110 9.110 8.285 0.825 19637 1699 1 3 . 1 1 17 17 ARG N N 17 129.806 129.806 129.445 0.361 19637 1700 1 3 . 1 1 17 17 ARG C C 17 173.440 173.440 175.259 -1.819 19637 1701 1 3 . 1 1 17 17 ARG CA C 17 51.407 51.407 54.989 -3.582 19637 1702 1 3 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.160 0.142 19637 1703 1 3 . 1 1 17 17 ARG H H 17 9.325 9.325 8.621 0.704 19637 1704 1 3 . 1 1 19 19 THR N N 19 114.402 114.402 110.147 4.255 19637 1705 1 3 . 1 1 19 19 THR CA C 19 61.022 61.022 62.913 -1.891 19637 1706 1 3 . 1 1 19 19 THR CB C 19 69.142 69.142 70.137 -0.995 19637 1707 1 3 . 1 1 19 19 THR H H 19 8.021 8.021 8.507 -0.486 19637 1708 1 3 . 1 1 20 20 GLU N N 20 123.598 123.598 119.534 4.064 19637 1709 1 3 . 1 1 20 20 GLU C C 20 177.007 177.007 175.709 1.298 19637 1710 1 3 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.259 -0.779 19637 1711 1 3 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.826 -2.032 19637 1712 1 3 . 1 1 20 20 GLU H H 20 8.601 8.601 7.824 0.777 19637 1713 1 3 . 1 1 21 21 GLY N N 21 110.237 110.237 108.135 2.102 19637 1714 1 3 . 1 1 21 21 GLY C C 21 174.077 174.077 173.394 0.683 19637 1715 1 3 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.763 -0.102 19637 1716 1 3 . 1 1 21 21 GLY H H 21 8.530 8.530 8.148 0.382 19637 1717 1 3 . 1 1 22 22 ALA N N 22 123.476 123.476 122.513 0.963 19637 1718 1 3 . 1 1 22 22 ALA C C 22 178.158 178.158 177.430 0.728 19637 1719 1 3 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.031 -0.276 19637 1720 1 3 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.131 -1.353 19637 1721 1 3 . 1 1 22 22 ALA H H 22 8.279 8.279 8.066 0.213 19637 1722 1 3 . 1 1 23 23 GLY N N 23 107.265 107.265 109.597 -2.332 19637 1723 1 3 . 1 1 23 23 GLY C C 23 174.727 174.727 174.341 0.386 19637 1724 1 3 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.889 -0.449 19637 1725 1 3 . 1 1 23 23 GLY H H 23 8.452 8.452 8.184 0.268 19637 1726 1 3 . 1 1 24 24 GLY N N 24 108.306 108.306 109.713 -1.407 19637 1727 1 3 . 1 1 24 24 GLY C C 24 174.786 174.786 173.451 1.335 19637 1728 1 3 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.135 -0.695 19637 1729 1 3 . 1 1 24 24 GLY H H 24 8.221 8.221 7.831 0.390 19637 1730 1 3 . 1 1 25 25 THR N N 25 114.381 114.381 112.365 2.016 19637 1731 1 3 . 1 1 25 25 THR C C 25 175.170 175.170 176.016 -0.846 19637 1732 1 3 . 1 1 25 25 THR CA C 25 61.599 61.599 62.243 -0.644 19637 1733 1 3 . 1 1 25 25 THR CB C 25 68.521 68.521 69.358 -0.837 19637 1734 1 3 . 1 1 25 25 THR H H 25 8.213 8.213 8.142 0.071 19637 1735 1 3 . 1 1 26 26 LEU N N 26 123.038 123.038 122.827 0.211 19637 1736 1 3 . 1 1 26 26 LEU C C 26 177.918 177.918 176.748 1.170 19637 1737 1 3 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.667 -0.985 19637 1738 1 3 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.439 -2.294 19637 1739 1 3 . 1 1 26 26 LEU H H 26 8.425 8.425 8.254 0.171 19637 1740 1 3 . 1 1 27 27 GLY N N 27 108.786 108.786 104.645 4.141 19637 1741 1 3 . 1 1 27 27 GLY C C 27 175.023 175.023 173.722 1.301 19637 1742 1 3 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.797 0.042 19637 1743 1 3 . 1 1 27 27 GLY H H 27 8.260 8.260 7.615 0.645 19637 1744 1 3 . 1 1 28 28 SER N N 28 116.175 116.175 115.476 0.699 19637 1745 1 3 . 1 1 28 28 SER CA C 28 58.140 58.140 58.136 0.004 19637 1746 1 3 . 1 1 28 28 SER CB C 28 62.846 62.846 64.099 -1.253 19637 1747 1 3 . 1 1 28 28 SER H H 28 8.330 8.330 8.465 -0.135 19637 1748 1 3 . 1 1 29 29 LEU N N 29 122.260 122.260 119.935 2.325 19637 1749 1 3 . 1 1 29 29 LEU C C 29 177.512 177.512 176.185 1.327 19637 1750 1 3 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.804 -1.388 19637 1751 1 3 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.185 -1.863 19637 1752 1 3 . 1 1 29 29 LEU H H 29 8.157 8.157 7.922 0.235 19637 1753 1 3 . 1 1 30 30 GLY N N 30 107.575 107.575 105.412 2.163 19637 1754 1 3 . 1 1 30 30 GLY C C 30 174.225 174.225 173.739 0.486 19637 1755 1 3 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.215 0.313 19637 1756 1 3 . 1 1 30 30 GLY H H 30 8.144 8.144 8.625 -0.481 19637 1757 1 3 . 1 1 31 31 GLY N N 31 107.996 107.996 108.768 -0.772 19637 1758 1 3 . 1 1 31 31 GLY C C 31 173.664 173.664 172.788 0.876 19637 1759 1 3 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.593 -0.375 19637 1760 1 3 . 1 1 31 31 GLY H H 31 8.044 8.044 7.700 0.344 19637 1761 1 3 . 1 1 32 32 PHE N N 32 119.248 119.248 122.497 -3.249 19637 1762 1 3 . 1 1 32 32 PHE C C 32 175.495 175.495 175.046 0.449 19637 1763 1 3 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.714 -1.341 19637 1764 1 3 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.100 -1.842 19637 1765 1 3 . 1 1 32 32 PHE H H 32 8.181 8.181 8.242 -0.061 19637 1766 1 3 . 1 1 33 33 SER N N 33 117.720 117.720 122.226 -4.506 19637 1767 1 3 . 1 1 33 33 SER C C 33 173.368 173.368 172.979 0.389 19637 1768 1 3 . 1 1 33 33 SER CA C 33 55.746 55.746 57.505 -1.759 19637 1769 1 3 . 1 1 33 33 SER CB C 33 64.265 64.265 62.938 1.327 19637 1770 1 3 . 1 1 33 33 SER H H 33 8.771 8.771 8.697 0.074 19637 1771 1 3 . 1 1 34 34 VAL N N 34 123.007 123.007 125.088 -2.081 19637 1772 1 3 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.430 -2.004 19637 1773 1 3 . 1 1 34 34 VAL CB C 34 32.785 32.785 33.719 -0.934 19637 1774 1 3 . 1 1 34 34 VAL H H 34 8.525 8.525 8.147 0.378 19637 1775 1 3 . 1 1 35 35 THR N N 35 115.459 115.459 120.346 -4.887 19637 1776 1 3 . 1 1 35 35 THR CA C 35 61.200 61.200 62.123 -0.923 19637 1777 1 3 . 1 1 35 35 THR CB C 35 69.851 69.851 69.197 0.654 19637 1778 1 3 . 1 1 35 35 THR H H 35 8.147 8.147 8.461 -0.314 19637 1779 1 3 . 1 1 36 36 ASN N N 36 118.274 118.274 124.294 -6.020 19637 1780 1 3 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.573 -1.166 19637 1781 1 3 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.038 -0.933 19637 1782 1 3 . 1 1 36 36 ASN H H 36 8.719 8.719 8.569 0.150 19637 1783 1 3 . 1 1 37 37 ASN N N 37 115.657 115.657 117.188 -1.531 19637 1784 1 3 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.263 1.602 19637 1785 1 3 . 1 1 37 37 ASN CB C 37 44.312 44.312 38.351 5.961 19637 1786 1 3 . 1 1 37 37 ASN H H 37 8.432 8.432 8.535 -0.103 19637 1787 1 3 . 1 1 38 38 THR N N 38 122.444 122.444 116.091 6.353 19637 1788 1 3 . 1 1 38 38 THR CA C 38 61.288 61.288 62.029 -0.741 19637 1789 1 3 . 1 1 38 38 THR CB C 38 69.142 69.142 68.856 0.286 19637 1790 1 3 . 1 1 38 38 THR H H 38 8.095 8.095 8.563 -0.468 19637 1791 1 3 . 1 1 40 40 LEU N N 40 120.457 120.457 119.357 1.100 19637 1792 1 3 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.519 -0.192 19637 1793 1 3 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.896 -1.678 19637 1794 1 3 . 1 1 40 40 LEU H H 40 6.902 6.902 8.534 -1.632 19637 1795 1 3 . 1 1 41 41 GLY N N 41 111.223 111.223 110.291 0.932 19637 1796 1 3 . 1 1 41 41 GLY C C 41 171.034 171.034 172.360 -1.326 19637 1797 1 3 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.985 -1.142 19637 1798 1 3 . 1 1 41 41 GLY H H 41 8.978 8.978 8.671 0.307 19637 1799 1 3 . 1 1 42 42 LEU N N 42 122.123 122.123 122.941 -0.818 19637 1800 1 3 . 1 1 42 42 LEU C C 42 175.350 175.350 176.281 -0.931 19637 1801 1 3 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.307 -2.152 19637 1802 1 3 . 1 1 42 42 LEU CB C 42 45.377 45.377 43.242 2.135 19637 1803 1 3 . 1 1 42 42 LEU H H 42 8.679 8.679 8.455 0.224 19637 1804 1 3 . 1 1 43 43 THR N N 43 109.917 109.917 119.163 -9.246 19637 1805 1 3 . 1 1 43 43 THR C C 43 173.516 173.516 173.226 0.290 19637 1806 1 3 . 1 1 43 43 THR CA C 43 58.057 58.057 61.407 -3.350 19637 1807 1 3 . 1 1 43 43 THR CB C 43 70.029 70.029 70.504 -0.476 19637 1808 1 3 . 1 1 43 43 THR H H 43 8.792 8.792 8.557 0.235 19637 1809 1 3 . 1 1 44 44 PHE N N 44 118.699 118.699 126.196 -7.497 19637 1810 1 3 . 1 1 44 44 PHE C C 44 173.917 173.917 174.856 -0.939 19637 1811 1 3 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.540 -1.060 19637 1812 1 3 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.489 -0.724 19637 1813 1 3 . 1 1 44 44 PHE H H 44 8.566 8.566 9.099 -0.533 19637 1814 1 3 . 1 1 45 45 THR N N 45 118.229 118.229 121.274 -3.045 19637 1815 1 3 . 1 1 45 45 THR C C 45 170.886 170.886 173.189 -2.303 19637 1816 1 3 . 1 1 45 45 THR CA C 45 60.097 60.097 59.316 0.781 19637 1817 1 3 . 1 1 45 45 THR CB C 45 68.433 68.433 69.578 -1.145 19637 1818 1 3 . 1 1 45 45 THR H H 45 7.903 7.903 8.951 -1.048 19637 1819 1 3 . 1 1 46 46 TYR N N 46 124.450 124.450 124.386 0.064 19637 1820 1 3 . 1 1 46 46 TYR C C 46 174.254 174.254 173.891 0.363 19637 1821 1 3 . 1 1 46 46 TYR CA C 46 54.150 54.150 54.515 -0.365 19637 1822 1 3 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.695 1.578 19637 1823 1 3 . 1 1 46 46 TYR H H 46 8.941 8.941 8.268 0.673 19637 1824 1 3 . 1 1 47 47 MET N N 47 123.598 123.598 121.000 2.598 19637 1825 1 3 . 1 1 47 47 MET C C 47 175.082 175.082 177.788 -2.706 19637 1826 1 3 . 1 1 47 47 MET CA C 47 50.425 50.425 52.953 -2.528 19637 1827 1 3 . 1 1 47 47 MET CB C 47 26.222 26.222 30.691 -4.469 19637 1828 1 3 . 1 1 47 47 MET H H 47 7.798 7.798 8.536 -0.738 19637 1829 1 3 . 1 1 48 48 ALA N N 48 129.975 129.975 130.002 -0.027 19637 1830 1 3 . 1 1 48 48 ALA C C 48 178.568 178.568 176.902 1.666 19637 1831 1 3 . 1 1 48 48 ALA CA C 48 53.305 53.305 55.581 -2.276 19637 1832 1 3 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.144 -1.432 19637 1833 1 3 . 1 1 48 48 ALA H H 48 8.717 8.717 8.751 -0.034 19637 1834 1 3 . 1 1 49 49 THR N N 49 106.011 106.011 106.442 -0.431 19637 1835 1 3 . 1 1 49 49 THR C C 49 171.950 171.950 172.938 -0.988 19637 1836 1 3 . 1 1 49 49 THR CA C 49 57.786 57.786 61.928 -4.143 19637 1837 1 3 . 1 1 49 49 THR CB C 49 70.535 70.535 67.519 3.016 19637 1838 1 3 . 1 1 49 49 THR H H 49 8.072 8.072 8.019 0.053 19637 1839 1 3 . 1 1 50 50 ASP N N 50 114.062 114.062 122.356 -8.294 19637 1840 1 3 . 1 1 50 50 ASP C C 50 175.318 175.318 175.378 -0.060 19637 1841 1 3 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.810 -0.035 19637 1842 1 3 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.988 -1.198 19637 1843 1 3 . 1 1 50 50 ASP H H 50 8.390 8.390 8.276 0.114 19637 1844 1 3 . 1 1 51 51 ASN N N 51 111.850 111.850 115.859 -4.009 19637 1845 1 3 . 1 1 51 51 ASN C C 51 171.684 171.684 173.711 -2.027 19637 1846 1 3 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.365 0.051 19637 1847 1 3 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.121 2.111 19637 1848 1 3 . 1 1 51 51 ASN H H 51 7.887 7.887 8.547 -0.660 19637 1849 1 3 . 1 1 52 52 ILE N N 52 118.929 118.929 118.263 0.666 19637 1850 1 3 . 1 1 52 52 ILE C C 52 175.495 175.495 175.175 0.320 19637 1851 1 3 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.879 -1.230 19637 1852 1 3 . 1 1 52 52 ILE CB C 52 37.484 37.484 39.713 -2.229 19637 1853 1 3 . 1 1 52 52 ILE H H 52 7.707 7.707 7.677 0.030 19637 1854 1 3 . 1 1 53 53 GLY N N 53 114.998 114.998 113.886 1.112 19637 1855 1 3 . 1 1 53 53 GLY C C 53 171.536 171.536 172.852 -1.316 19637 1856 1 3 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.539 -0.608 19637 1857 1 3 . 1 1 53 53 GLY H H 53 8.678 8.678 8.679 -0.001 19637 1858 1 3 . 1 1 54 54 VAL N N 54 118.327 118.327 122.202 -3.875 19637 1859 1 3 . 1 1 54 54 VAL C C 54 173.309 173.309 174.098 -0.789 19637 1860 1 3 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.658 -2.010 19637 1861 1 3 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.417 -1.544 19637 1862 1 3 . 1 1 54 54 VAL H H 54 8.734 8.734 8.314 0.420 19637 1863 1 3 . 1 1 55 55 GLU N N 55 126.907 126.907 126.463 0.444 19637 1864 1 3 . 1 1 55 55 GLU C C 55 173.575 173.575 174.976 -1.401 19637 1865 1 3 . 1 1 55 55 GLU CA C 55 53.269 53.269 53.831 -0.562 19637 1866 1 3 . 1 1 55 55 GLU CB C 55 34.727 34.727 31.370 3.357 19637 1867 1 3 . 1 1 55 55 GLU H H 55 9.084 9.084 9.084 0.000 19637 1868 1 3 . 1 1 56 56 LEU N N 56 126.739 126.739 127.002 -0.263 19637 1869 1 3 . 1 1 56 56 LEU C C 56 174.786 174.786 174.589 0.197 19637 1870 1 3 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.654 -1.721 19637 1871 1 3 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.557 -0.535 19637 1872 1 3 . 1 1 56 56 LEU H H 56 9.168 9.168 8.657 0.511 19637 1873 1 3 . 1 1 57 57 LEU N N 57 127.189 127.189 127.704 -0.515 19637 1874 1 3 . 1 1 57 57 LEU C C 57 174.579 174.579 174.686 -0.107 19637 1875 1 3 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.364 -0.273 19637 1876 1 3 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.373 -2.213 19637 1877 1 3 . 1 1 57 57 LEU H H 57 9.174 9.174 8.571 0.603 19637 1878 1 3 . 1 1 58 58 ALA N N 58 125.061 125.061 127.812 -2.751 19637 1879 1 3 . 1 1 58 58 ALA C C 58 172.925 172.925 175.210 -2.285 19637 1880 1 3 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.546 -1.622 19637 1881 1 3 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.641 -1.562 19637 1882 1 3 . 1 1 58 58 ALA H H 58 9.435 9.435 8.891 0.544 19637 1883 1 3 . 1 1 59 59 ALA N N 59 116.911 116.911 122.276 -5.365 19637 1884 1 3 . 1 1 59 59 ALA C C 59 176.248 176.248 176.463 -0.215 19637 1885 1 3 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.662 -1.591 19637 1886 1 3 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.662 -2.003 19637 1887 1 3 . 1 1 59 59 ALA H H 59 6.833 6.833 8.458 -1.625 19637 1888 1 3 . 1 1 60 60 THR N N 60 105.771 105.771 112.809 -7.038 19637 1889 1 3 . 1 1 60 60 THR C C 60 170.975 170.975 173.695 -2.720 19637 1890 1 3 . 1 1 60 60 THR CA C 60 59.515 59.515 58.436 1.079 19637 1891 1 3 . 1 1 60 60 THR CB C 60 63.487 63.487 68.216 -4.729 19637 1892 1 3 . 1 1 60 60 THR H H 60 7.718 7.718 8.420 -0.702 19637 1893 1 3 . 1 1 62 62 PHE N N 62 122.473 122.473 123.546 -1.073 19637 1894 1 3 . 1 1 62 62 PHE C C 62 174.934 174.934 173.842 1.092 19637 1895 1 3 . 1 1 62 62 PHE CA C 62 56.721 56.721 56.588 0.133 19637 1896 1 3 . 1 1 62 62 PHE CB C 62 39.613 39.613 41.647 -2.034 19637 1897 1 3 . 1 1 62 62 PHE H H 62 8.251 8.251 7.919 0.332 19637 1898 1 3 . 1 1 63 63 ARG N N 63 118.016 118.016 126.990 -8.974 19637 1899 1 3 . 1 1 63 63 ARG C C 63 174.423 174.423 176.043 -1.620 19637 1900 1 3 . 1 1 63 63 ARG CA C 63 52.648 52.648 53.642 -0.994 19637 1901 1 3 . 1 1 63 63 ARG CB C 63 31.898 31.898 31.729 0.169 19637 1902 1 3 . 1 1 63 63 ARG H H 63 7.378 7.378 7.952 -0.574 19637 1903 1 3 . 1 1 64 64 HIS N N 64 120.040 120.040 123.818 -3.778 19637 1904 1 3 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.983 -3.030 19637 1905 1 3 . 1 1 64 64 HIS H H 64 8.588 8.588 8.541 0.047 19637 1906 1 3 . 1 1 66 66 ILE N N 66 122.668 122.668 119.430 3.238 19637 1907 1 3 . 1 1 66 66 ILE C C 66 175.141 175.141 174.515 0.626 19637 1908 1 3 . 1 1 66 66 ILE CA C 66 57.963 57.963 61.286 -3.323 19637 1909 1 3 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.602 -0.965 19637 1910 1 3 . 1 1 66 66 ILE H H 66 8.726 8.726 8.347 0.379 19637 1911 1 3 . 1 1 67 67 GLY N N 67 114.948 114.948 114.071 0.877 19637 1912 1 3 . 1 1 67 67 GLY C C 67 172.570 172.570 172.861 -0.291 19637 1913 1 3 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.694 -0.565 19637 1914 1 3 . 1 1 67 67 GLY H H 67 8.780 8.780 8.229 0.551 19637 1915 1 3 . 1 1 68 68 THR N N 68 106.079 106.079 113.054 -6.975 19637 1916 1 3 . 1 1 68 68 THR C C 68 175.574 175.574 174.730 0.844 19637 1917 1 3 . 1 1 68 68 THR CA C 68 58.672 58.672 60.111 -1.439 19637 1918 1 3 . 1 1 68 68 THR CB C 68 71.270 71.270 71.790 -0.520 19637 1919 1 3 . 1 1 68 68 THR H H 68 7.431 7.431 8.274 -0.843 19637 1920 1 3 . 1 1 69 69 ARG N N 69 122.303 122.303 120.980 1.323 19637 1921 1 3 . 1 1 69 69 ARG C C 69 178.298 178.298 177.436 0.862 19637 1922 1 3 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.165 1.064 19637 1923 1 3 . 1 1 69 69 ARG CB C 69 28.173 28.173 29.335 -1.163 19637 1924 1 3 . 1 1 69 69 ARG H H 69 8.783 8.783 8.805 -0.022 19637 1925 1 3 . 1 1 70 70 ALA N N 70 117.681 117.681 121.445 -3.764 19637 1926 1 3 . 1 1 70 70 ALA C C 70 179.281 179.281 178.532 0.749 19637 1927 1 3 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.364 -1.095 19637 1928 1 3 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.403 -0.428 19637 1929 1 3 . 1 1 70 70 ALA H H 70 8.262 8.262 8.163 0.099 19637 1930 1 3 . 1 1 71 71 THR N N 71 105.486 105.486 110.347 -4.861 19637 1931 1 3 . 1 1 71 71 THR C C 71 176.136 176.136 175.602 0.534 19637 1932 1 3 . 1 1 71 71 THR CA C 71 60.895 60.895 62.137 -1.242 19637 1933 1 3 . 1 1 71 71 THR CB C 71 70.383 70.383 70.604 -0.221 19637 1934 1 3 . 1 1 71 71 THR H H 71 7.473 7.473 7.745 -0.272 19637 1935 1 3 . 1 1 72 72 GLY N N 72 111.099 111.099 109.914 1.185 19637 1936 1 3 . 1 1 72 72 GLY C C 72 175.052 175.052 174.214 0.838 19637 1937 1 3 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.116 -1.070 19637 1938 1 3 . 1 1 72 72 GLY H H 72 8.194 8.194 8.113 0.081 19637 1939 1 3 . 1 1 73 73 ASP N N 73 121.919 121.919 119.509 2.410 19637 1940 1 3 . 1 1 73 73 ASP C C 73 177.889 177.889 175.633 2.256 19637 1941 1 3 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.827 -1.785 19637 1942 1 3 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.743 -1.219 19637 1943 1 3 . 1 1 73 73 ASP H H 73 8.668 8.668 8.120 0.548 19637 1944 1 3 . 1 1 74 74 ILE N N 74 117.113 117.113 119.265 -2.152 19637 1945 1 3 . 1 1 74 74 ILE C C 74 175.013 175.013 174.581 0.432 19637 1946 1 3 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.228 -1.315 19637 1947 1 3 . 1 1 74 74 ILE CB C 74 41.297 41.297 35.611 5.686 19637 1948 1 3 . 1 1 74 74 ILE H H 74 9.327 9.327 8.315 1.012 19637 1949 1 3 . 1 1 75 75 ALA N N 75 121.329 121.329 128.803 -7.474 19637 1950 1 3 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.884 -0.459 19637 1951 1 3 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.316 0.207 19637 1952 1 3 . 1 1 75 75 ALA H H 75 8.086 8.086 7.887 0.199 19637 1953 1 3 . 1 1 76 76 THR N N 76 116.168 116.168 116.669 -0.501 19637 1954 1 3 . 1 1 76 76 THR C C 76 173.043 173.043 173.803 -0.760 19637 1955 1 3 . 1 1 76 76 THR CA C 76 60.540 60.540 61.648 -1.108 19637 1956 1 3 . 1 1 76 76 THR CB C 76 69.674 69.674 68.605 1.069 19637 1957 1 3 . 1 1 76 76 THR H H 76 8.539 8.539 8.564 -0.025 19637 1958 1 3 . 1 1 77 77 VAL N N 77 117.996 117.996 120.875 -2.879 19637 1959 1 3 . 1 1 77 77 VAL C C 77 174.964 174.964 173.094 1.870 19637 1960 1 3 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.639 -2.291 19637 1961 1 3 . 1 1 77 77 VAL CB C 77 34.026 34.026 33.899 0.127 19637 1962 1 3 . 1 1 77 77 VAL H H 77 8.578 8.578 7.925 0.653 19637 1963 1 3 . 1 1 78 78 HIS N N 78 116.541 116.541 116.051 0.490 19637 1964 1 3 . 1 1 78 78 HIS C C 78 173.634 173.634 173.248 0.386 19637 1965 1 3 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.182 -1.357 19637 1966 1 3 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.897 -2.950 19637 1967 1 3 . 1 1 78 78 HIS H H 78 7.822 7.822 6.494 1.328 19637 1968 1 3 . 1 1 79 79 HIS N N 79 113.176 113.176 118.303 -5.127 19637 1969 1 3 . 1 1 79 79 HIS C C 79 173.841 173.841 174.988 -1.147 19637 1970 1 3 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.500 -0.084 19637 1971 1 3 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.537 2.490 19637 1972 1 3 . 1 1 79 79 HIS H H 79 7.912 7.912 7.789 0.123 19637 1973 1 3 . 1 1 80 80 LEU N N 80 118.153 118.153 118.733 -0.580 19637 1974 1 3 . 1 1 80 80 LEU C C 80 177.821 177.821 175.300 2.521 19637 1975 1 3 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.422 -1.262 19637 1976 1 3 . 1 1 80 80 LEU CB C 80 46.263 46.263 41.454 4.809 19637 1977 1 3 . 1 1 80 80 LEU H H 80 8.205 8.205 7.810 0.395 19637 1978 1 3 . 1 1 83 83 THR N N 83 115.326 115.326 111.789 3.537 19637 1979 1 3 . 1 1 83 83 THR C C 83 171.362 171.362 173.344 -1.982 19637 1980 1 3 . 1 1 83 83 THR CA C 83 60.540 60.540 60.242 0.298 19637 1981 1 3 . 1 1 83 83 THR CB C 83 72.068 72.068 72.335 -0.267 19637 1982 1 3 . 1 1 83 83 THR H H 83 7.688 7.688 8.653 -0.965 19637 1983 1 3 . 1 1 84 84 LEU N N 84 129.848 129.848 124.288 5.560 19637 1984 1 3 . 1 1 84 84 LEU C C 84 174.373 174.373 174.458 -0.085 19637 1985 1 3 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.466 -2.045 19637 1986 1 3 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.272 -0.516 19637 1987 1 3 . 1 1 84 84 LEU H H 84 9.013 9.013 8.625 0.388 19637 1988 1 3 . 1 1 85 85 MET N N 85 121.374 121.374 127.850 -6.476 19637 1989 1 3 . 1 1 85 85 MET C C 85 175.407 175.407 173.903 1.504 19637 1990 1 3 . 1 1 85 85 MET CA C 85 52.421 52.421 53.863 -1.442 19637 1991 1 3 . 1 1 85 85 MET CB C 85 34.558 34.558 35.354 -0.796 19637 1992 1 3 . 1 1 85 85 MET H H 85 9.823 9.823 8.936 0.887 19637 1993 1 3 . 1 1 86 86 ALA N N 86 123.689 123.689 129.678 -5.989 19637 1994 1 3 . 1 1 86 86 ALA C C 86 176.205 176.205 176.031 0.174 19637 1995 1 3 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.323 -0.518 19637 1996 1 3 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.362 -1.411 19637 1997 1 3 . 1 1 86 86 ALA H H 86 9.080 9.080 8.845 0.235 19637 1998 1 3 . 1 1 87 87 GLN N N 87 116.548 116.548 124.161 -7.613 19637 1999 1 3 . 1 1 87 87 GLN C C 87 175.495 175.495 174.276 1.219 19637 2000 1 3 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.467 -1.109 19637 2001 1 3 . 1 1 87 87 GLN CB C 87 34.292 34.292 31.002 3.290 19637 2002 1 3 . 1 1 87 87 GLN H H 87 9.061 9.061 8.472 0.589 19637 2003 1 3 . 1 1 88 88 TRP N N 88 119.609 119.609 125.788 -6.179 19637 2004 1 3 . 1 1 88 88 TRP C C 88 174.727 174.727 173.178 1.549 19637 2005 1 3 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.788 -0.834 19637 2006 1 3 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.352 -2.873 19637 2007 1 3 . 1 1 88 88 TRP H H 88 8.893 8.893 7.846 1.047 19637 2008 1 3 . 1 1 89 89 TYR N N 89 124.849 124.849 123.553 1.296 19637 2009 1 3 . 1 1 89 89 TYR C C 89 176.382 176.382 173.089 3.293 19637 2010 1 3 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.339 -1.297 19637 2011 1 3 . 1 1 89 89 TYR H H 89 8.815 8.815 7.545 1.270 19637 2012 1 3 . 1 1 90 90 PHE N N 90 122.137 122.137 125.944 -3.807 19637 2013 1 3 . 1 1 90 90 PHE C C 90 176.304 176.304 175.172 1.132 19637 2014 1 3 . 1 1 90 90 PHE CA C 90 57.821 57.821 59.101 -1.280 19637 2015 1 3 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.817 -1.357 19637 2016 1 3 . 1 1 90 90 PHE H H 90 9.171 9.171 8.360 0.811 19637 2017 1 3 . 1 1 91 91 GLY N N 91 108.961 108.961 107.558 1.403 19637 2018 1 3 . 1 1 91 91 GLY C C 91 172.748 172.748 173.574 -0.826 19637 2019 1 3 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.547 -0.216 19637 2020 1 3 . 1 1 91 91 GLY H H 91 9.342 9.342 6.410 2.932 19637 2021 1 3 . 1 1 92 92 ASP N N 92 119.869 119.869 116.609 3.260 19637 2022 1 3 . 1 1 92 92 ASP C C 92 175.968 175.968 175.370 0.598 19637 2023 1 3 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.987 -3.365 19637 2024 1 3 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.009 -0.446 19637 2025 1 3 . 1 1 92 92 ASP H H 92 8.612 8.612 8.428 0.184 19637 2026 1 3 . 1 1 93 93 ALA N N 93 117.665 117.665 121.299 -3.634 19637 2027 1 3 . 1 1 93 93 ALA C C 93 178.748 178.748 177.011 1.737 19637 2028 1 3 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.177 1.003 19637 2029 1 3 . 1 1 93 93 ALA CB C 93 16.911 16.911 18.972 -2.061 19637 2030 1 3 . 1 1 93 93 ALA H H 93 8.673 8.673 7.933 0.740 19637 2031 1 3 . 1 1 94 94 SER N N 94 115.062 115.062 116.012 -0.950 19637 2032 1 3 . 1 1 94 94 SER C C 94 175.348 175.348 175.314 0.034 19637 2033 1 3 . 1 1 94 94 SER CA C 94 58.185 58.185 60.187 -2.002 19637 2034 1 3 . 1 1 94 94 SER CB C 94 62.757 62.757 63.459 -0.702 19637 2035 1 3 . 1 1 94 94 SER H H 94 8.902 8.902 8.389 0.513 19637 2036 1 3 . 1 1 95 95 SER N N 95 120.754 120.754 112.596 8.158 19637 2037 1 3 . 1 1 95 95 SER CA C 95 58.451 58.451 59.745 -1.294 19637 2038 1 3 . 1 1 95 95 SER CB C 95 62.580 62.580 63.035 -0.455 19637 2039 1 3 . 1 1 95 95 SER H H 95 7.922 7.922 7.412 0.510 19637 2040 1 3 . 1 1 96 96 LYS N N 96 120.924 120.924 114.979 5.945 19637 2041 1 3 . 1 1 96 96 LYS CA C 96 54.599 54.599 58.026 -3.427 19637 2042 1 3 . 1 1 96 96 LYS CB C 96 31.366 31.366 30.736 0.630 19637 2043 1 3 . 1 1 96 96 LYS H H 96 8.555 8.555 8.501 0.054 19637 2044 1 3 . 1 1 97 97 PHE N N 97 117.773 117.773 112.019 5.754 19637 2045 1 3 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.773 -1.085 19637 2046 1 3 . 1 1 97 97 PHE CB C 97 40.322 40.322 41.308 -0.986 19637 2047 1 3 . 1 1 97 97 PHE H H 97 7.596 7.596 7.050 0.546 19637 2048 1 3 . 1 1 98 98 ARG N N 98 120.982 120.982 122.322 -1.340 19637 2049 1 3 . 1 1 98 98 ARG C C 98 173.047 173.047 174.614 -1.567 19637 2050 1 3 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.755 -0.284 19637 2051 1 3 . 1 1 98 98 ARG CB C 98 31.632 31.632 29.698 1.933 19637 2052 1 3 . 1 1 98 98 ARG H H 98 8.823 8.823 8.382 0.441 19637 2053 1 3 . 1 1 100 100 TYR N N 100 117.775 117.775 116.177 1.598 19637 2054 1 3 . 1 1 100 100 TYR C C 100 173.047 173.047 174.909 -1.862 19637 2055 1 3 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.319 -1.365 19637 2056 1 3 . 1 1 100 100 TYR CB C 100 39.524 39.524 37.482 2.042 19637 2057 1 3 . 1 1 100 100 TYR H H 100 8.885 8.885 8.133 0.752 19637 2058 1 3 . 1 1 101 101 VAL N N 101 111.744 111.744 121.783 -10.039 19637 2059 1 3 . 1 1 101 101 VAL C C 101 173.457 173.457 175.219 -1.762 19637 2060 1 3 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.744 -3.639 19637 2061 1 3 . 1 1 101 101 VAL CB C 101 34.381 34.381 29.979 4.402 19637 2062 1 3 . 1 1 101 101 VAL H H 101 8.365 8.365 7.460 0.905 19637 2063 1 3 . 1 1 102 102 GLY N N 102 108.300 108.300 113.601 -5.301 19637 2064 1 3 . 1 1 102 102 GLY C C 102 171.241 171.241 172.049 -0.808 19637 2065 1 3 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.519 0.453 19637 2066 1 3 . 1 1 102 102 GLY H H 102 8.271 8.271 8.483 -0.212 19637 2067 1 3 . 1 1 103 103 ALA N N 103 120.836 120.836 120.742 0.094 19637 2068 1 3 . 1 1 103 103 ALA C C 103 175.614 175.614 174.926 0.688 19637 2069 1 3 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.131 -1.298 19637 2070 1 3 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.514 -0.795 19637 2071 1 3 . 1 1 103 103 ALA H H 103 9.048 9.048 8.625 0.423 19637 2072 1 3 . 1 1 104 104 GLY N N 104 107.477 107.477 108.555 -1.078 19637 2073 1 3 . 1 1 104 104 GLY C C 104 171.832 171.832 172.096 -0.264 19637 2074 1 3 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.336 3.143 19637 2075 1 3 . 1 1 104 104 GLY H H 104 8.661 8.661 8.994 -0.333 19637 2076 1 3 . 1 1 105 105 ILE N N 105 118.575 118.575 123.744 -5.169 19637 2077 1 3 . 1 1 105 105 ILE C C 105 172.275 172.275 174.001 -1.726 19637 2078 1 3 . 1 1 105 105 ILE CA C 105 57.348 57.348 58.728 -1.381 19637 2079 1 3 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.533 1.119 19637 2080 1 3 . 1 1 105 105 ILE H H 105 9.020 9.020 8.972 0.048 19637 2081 1 3 . 1 1 106 106 ASN N N 106 123.879 123.879 128.843 -4.964 19637 2082 1 3 . 1 1 106 106 ASN C C 106 171.418 171.418 174.015 -2.597 19637 2083 1 3 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.525 -0.941 19637 2084 1 3 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.948 0.906 19637 2085 1 3 . 1 1 106 106 ASN H H 106 9.659 9.659 8.100 1.559 19637 2086 1 3 . 1 1 107 107 TYR N N 107 125.744 125.744 125.466 0.278 19637 2087 1 3 . 1 1 107 107 TYR C C 107 173.073 173.073 176.505 -3.432 19637 2088 1 3 . 1 1 107 107 TYR CA C 107 54.504 54.504 58.136 -3.632 19637 2089 1 3 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.639 1.215 19637 2090 1 3 . 1 1 107 107 TYR H H 107 8.273 8.273 8.497 -0.224 19637 2091 1 3 . 1 1 108 108 THR N N 108 119.337 119.337 116.143 3.194 19637 2092 1 3 . 1 1 108 108 THR C C 108 172.457 172.457 174.319 -1.862 19637 2093 1 3 . 1 1 108 108 THR CA C 108 60.452 60.452 60.335 0.117 19637 2094 1 3 . 1 1 108 108 THR CB C 108 69.319 69.319 71.837 -2.518 19637 2095 1 3 . 1 1 108 108 THR H H 108 8.446 8.446 9.254 -0.808 19637 2096 1 3 . 1 1 109 109 THR N N 109 118.655 118.655 121.480 -2.825 19637 2097 1 3 . 1 1 109 109 THR C C 109 171.625 171.625 174.851 -3.226 19637 2098 1 3 . 1 1 109 109 THR CA C 109 56.810 56.810 61.932 -5.122 19637 2099 1 3 . 1 1 109 109 THR H H 109 7.548 7.548 8.502 -0.954 19637 2100 1 3 . 1 1 112 112 ASP N N 112 116.796 116.796 119.650 -2.854 19637 2101 1 3 . 1 1 112 112 ASP C C 112 175.490 175.490 175.089 0.401 19637 2102 1 3 . 1 1 112 112 ASP CA C 112 53.884 53.884 55.158 -1.274 19637 2103 1 3 . 1 1 112 112 ASP CB C 112 37.662 37.662 40.926 -3.264 19637 2104 1 3 . 1 1 112 112 ASP H H 112 8.995 8.995 8.889 0.106 19637 2105 1 3 . 1 1 113 113 ASN N N 113 117.801 117.801 117.229 0.572 19637 2106 1 3 . 1 1 113 113 ASN C C 113 175.702 175.702 174.153 1.549 19637 2107 1 3 . 1 1 113 113 ASN CA C 113 50.736 50.736 54.507 -3.771 19637 2108 1 3 . 1 1 113 113 ASN CB C 113 39.348 39.348 38.551 0.797 19637 2109 1 3 . 1 1 113 113 ASN H H 113 8.410 8.410 8.539 -0.129 19637 2110 1 3 . 1 1 114 114 GLY N N 114 107.744 107.744 108.710 -0.966 19637 2111 1 3 . 1 1 114 114 GLY C C 114 171.979 171.979 173.985 -2.006 19637 2112 1 3 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.212 0.582 19637 2113 1 3 . 1 1 114 114 GLY H H 114 8.557 8.557 7.990 0.567 19637 2114 1 3 . 1 1 115 115 PHE N N 115 119.554 119.554 122.804 -3.250 19637 2115 1 3 . 1 1 115 115 PHE C C 115 176.192 176.192 175.115 1.077 19637 2116 1 3 . 1 1 115 115 PHE CA C 115 57.490 57.490 56.712 0.778 19637 2117 1 3 . 1 1 115 115 PHE CB C 115 39.081 39.081 39.259 -0.178 19637 2118 1 3 . 1 1 115 115 PHE H H 115 8.607 8.607 7.946 0.661 19637 2119 1 3 . 1 1 116 116 ASN N N 116 120.356 120.356 117.019 3.337 19637 2120 1 3 . 1 1 116 116 ASN C C 116 175.407 175.407 175.218 0.189 19637 2121 1 3 . 1 1 116 116 ASN CA C 116 50.071 50.071 53.079 -3.008 19637 2122 1 3 . 1 1 116 116 ASN CB C 116 37.041 37.041 39.706 -2.665 19637 2123 1 3 . 1 1 116 116 ASN H H 116 8.240 8.240 8.254 -0.014 19637 2124 1 3 . 1 1 117 117 ASP N N 117 117.610 117.610 120.891 -3.281 19637 2125 1 3 . 1 1 117 117 ASP C C 117 178.298 178.298 178.095 0.203 19637 2126 1 3 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.915 -0.567 19637 2127 1 3 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.896 -2.348 19637 2128 1 3 . 1 1 117 117 ASP H H 117 8.460 8.460 8.786 -0.326 19637 2129 1 3 . 1 1 118 118 HIS N N 118 118.493 118.493 117.129 1.364 19637 2130 1 3 . 1 1 118 118 HIS C C 118 177.821 177.821 177.496 0.325 19637 2131 1 3 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.883 -2.117 19637 2132 1 3 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.425 -2.698 19637 2133 1 3 . 1 1 118 118 HIS H H 118 8.185 8.185 8.608 -0.423 19637 2134 1 3 . 1 1 119 119 GLY N N 119 107.937 107.937 107.077 0.860 19637 2135 1 3 . 1 1 119 119 GLY C C 119 175.082 175.082 175.994 -0.912 19637 2136 1 3 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.836 -0.224 19637 2137 1 3 . 1 1 119 119 GLY H H 119 8.788 8.788 8.546 0.242 19637 2138 1 3 . 1 1 120 120 LYS N N 120 122.898 122.898 122.122 0.776 19637 2139 1 3 . 1 1 120 120 LYS C C 120 181.612 181.612 179.358 2.254 19637 2140 1 3 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.183 -0.466 19637 2141 1 3 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.587 -1.931 19637 2142 1 3 . 1 1 120 120 LYS H H 120 8.890 8.890 8.578 0.312 19637 2143 1 3 . 1 1 121 121 GLU N N 121 120.995 120.995 118.647 2.348 19637 2144 1 3 . 1 1 121 121 GLU C C 121 177.327 177.327 177.284 0.043 19637 2145 1 3 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.036 -0.383 19637 2146 1 3 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.179 -1.449 19637 2147 1 3 . 1 1 121 121 GLU H H 121 8.234 8.234 7.856 0.378 19637 2148 1 3 . 1 1 122 122 ALA N N 122 119.811 119.811 119.802 0.009 19637 2149 1 3 . 1 1 122 122 ALA C C 122 176.500 176.500 177.755 -1.255 19637 2150 1 3 . 1 1 122 122 ALA CA C 122 51.042 51.042 52.118 -1.076 19637 2151 1 3 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.442 -2.732 19637 2152 1 3 . 1 1 122 122 ALA H H 122 7.259 7.259 7.477 -0.218 19637 2153 1 3 . 1 1 123 123 GLY N N 123 103.863 103.863 104.882 -1.019 19637 2154 1 3 . 1 1 123 123 GLY C C 123 175.082 175.082 173.577 1.505 19637 2155 1 3 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.796 -0.532 19637 2156 1 3 . 1 1 123 123 GLY H H 123 7.745 7.745 7.768 -0.023 19637 2157 1 3 . 1 1 124 124 LEU N N 124 123.722 123.722 119.208 4.514 19637 2158 1 3 . 1 1 124 124 LEU C C 124 176.293 176.293 176.589 -0.296 19637 2159 1 3 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.546 -1.277 19637 2160 1 3 . 1 1 124 124 LEU CB C 124 38.016 38.016 42.041 -4.025 19637 2161 1 3 . 1 1 124 124 LEU H H 124 7.461 7.461 7.637 -0.176 19637 2162 1 3 . 1 1 125 125 SER N N 125 114.112 114.112 115.794 -1.682 19637 2163 1 3 . 1 1 125 125 SER C C 125 173.250 173.250 173.805 -0.555 19637 2164 1 3 . 1 1 125 125 SER CA C 125 57.259 57.259 58.635 -1.376 19637 2165 1 3 . 1 1 125 125 SER CB C 125 65.684 65.684 65.213 0.471 19637 2166 1 3 . 1 1 125 125 SER H H 125 8.809 8.809 8.406 0.403 19637 2167 1 3 . 1 1 126 126 ASP N N 126 117.817 117.817 119.966 -2.149 19637 2168 1 3 . 1 1 126 126 ASP C C 126 174.107 174.107 174.834 -0.727 19637 2169 1 3 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.104 0.489 19637 2170 1 3 . 1 1 126 126 ASP CB C 126 38.726 38.726 44.201 -5.475 19637 2171 1 3 . 1 1 126 126 ASP H H 126 9.035 9.035 8.212 0.823 19637 2172 1 3 . 1 1 127 127 LEU N N 127 120.160 120.160 120.588 -0.428 19637 2173 1 3 . 1 1 127 127 LEU C C 127 176.726 176.726 176.340 0.386 19637 2174 1 3 . 1 1 127 127 LEU CA C 127 54.371 54.371 54.878 -0.507 19637 2175 1 3 . 1 1 127 127 LEU CB C 127 40.322 40.322 43.134 -2.812 19637 2176 1 3 . 1 1 127 127 LEU H H 127 8.109 8.109 8.014 0.095 19637 2177 1 3 . 1 1 128 128 SER N N 128 120.909 120.909 117.667 3.242 19637 2178 1 3 . 1 1 128 128 SER C C 128 172.038 172.038 173.404 -1.366 19637 2179 1 3 . 1 1 128 128 SER CA C 128 57.120 57.120 57.050 0.070 19637 2180 1 3 . 1 1 128 128 SER CB C 128 64.353 64.353 63.753 0.600 19637 2181 1 3 . 1 1 128 128 SER H H 128 9.499 9.499 8.693 0.806 19637 2182 1 3 . 1 1 129 129 LEU N N 129 122.260 122.260 124.647 -2.387 19637 2183 1 3 . 1 1 129 129 LEU C C 129 176.411 176.411 176.809 -0.398 19637 2184 1 3 . 1 1 129 129 LEU CA C 129 53.839 53.839 54.221 -0.382 19637 2185 1 3 . 1 1 129 129 LEU CB C 129 42.539 42.539 44.451 -1.912 19637 2186 1 3 . 1 1 129 129 LEU H H 129 8.182 8.182 8.286 -0.104 19637 2187 1 3 . 1 1 130 130 LYS N N 130 122.490 122.490 119.964 2.526 19637 2188 1 3 . 1 1 130 130 LYS C C 130 176.754 176.754 175.491 1.263 19637 2189 1 3 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.485 0.557 19637 2190 1 3 . 1 1 130 130 LYS CB C 130 32.518 32.518 35.920 -3.402 19637 2191 1 3 . 1 1 130 130 LYS H H 130 7.536 7.536 8.642 -1.106 19637 2192 1 3 . 1 1 131 131 ASP N N 131 123.217 123.217 120.362 2.855 19637 2193 1 3 . 1 1 131 131 ASP C C 131 175.998 175.998 176.122 -0.124 19637 2194 1 3 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.811 -0.351 19637 2195 1 3 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.341 -1.108 19637 2196 1 3 . 1 1 131 131 ASP H H 131 8.782 8.782 8.542 0.240 19637 2197 1 3 . 1 1 132 132 SER N N 132 115.445 115.445 113.506 1.939 19637 2198 1 3 . 1 1 132 132 SER C C 132 171.920 171.920 173.215 -1.295 19637 2199 1 3 . 1 1 132 132 SER CA C 132 55.790 55.790 57.656 -1.866 19637 2200 1 3 . 1 1 132 132 SER CB C 132 64.087 64.087 65.768 -1.681 19637 2201 1 3 . 1 1 132 132 SER H H 132 9.016 9.016 8.821 0.195 19637 2202 1 3 . 1 1 133 133 TRP N N 133 124.389 124.389 121.669 2.720 19637 2203 1 3 . 1 1 133 133 TRP C C 133 178.243 178.243 175.454 2.789 19637 2204 1 3 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.393 0.916 19637 2205 1 3 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.315 0.086 19637 2206 1 3 . 1 1 133 133 TRP H H 133 7.896 7.896 8.071 -0.175 19637 2207 1 3 . 1 1 134 134 GLY N N 134 107.658 107.658 111.195 -3.537 19637 2208 1 3 . 1 1 134 134 GLY C C 134 171.123 171.123 172.953 -1.830 19637 2209 1 3 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.163 0.586 19637 2210 1 3 . 1 1 134 134 GLY H H 134 8.896 8.896 8.441 0.455 19637 2211 1 3 . 1 1 135 135 ALA N N 135 122.244 122.244 127.283 -5.039 19637 2212 1 3 . 1 1 135 135 ALA C C 135 174.875 174.875 176.500 -1.625 19637 2213 1 3 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.861 0.280 19637 2214 1 3 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.420 -1.114 19637 2215 1 3 . 1 1 135 135 ALA H H 135 8.946 8.946 8.244 0.702 19637 2216 1 3 . 1 1 136 136 ALA N N 136 118.579 118.579 125.810 -7.231 19637 2217 1 3 . 1 1 136 136 ALA C C 136 175.434 175.434 175.333 0.101 19637 2218 1 3 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.572 -2.078 19637 2219 1 3 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.146 2.061 19637 2220 1 3 . 1 1 136 136 ALA H H 136 8.111 8.111 8.364 -0.253 19637 2221 1 3 . 1 1 137 137 GLY N N 137 105.005 105.005 107.388 -2.383 19637 2222 1 3 . 1 1 137 137 GLY C C 137 171.300 171.300 173.269 -1.969 19637 2223 1 3 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.964 -1.782 19637 2224 1 3 . 1 1 137 137 GLY H H 137 8.933 8.933 8.474 0.459 19637 2225 1 3 . 1 1 138 138 GLN N N 138 115.695 115.695 123.132 -7.437 19637 2226 1 3 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.354 -1.091 19637 2227 1 3 . 1 1 138 138 GLN H H 138 8.559 8.559 8.568 -0.009 19637 2228 1 3 . 1 1 140 140 GLY N N 140 110.307 110.307 111.710 -1.403 19637 2229 1 3 . 1 1 140 140 GLY C C 140 171.329 171.329 173.303 -1.974 19637 2230 1 3 . 1 1 140 140 GLY CA C 140 44.617 44.617 45.026 -0.409 19637 2231 1 3 . 1 1 140 140 GLY H H 140 7.936 7.936 8.289 -0.353 19637 2232 1 3 . 1 1 141 141 VAL N N 141 112.233 112.233 125.711 -13.478 19637 2233 1 3 . 1 1 141 141 VAL C C 141 171.979 171.979 174.324 -2.345 19637 2234 1 3 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.900 0.014 19637 2235 1 3 . 1 1 141 141 VAL CB C 141 33.937 33.937 33.925 0.012 19637 2236 1 3 . 1 1 141 141 VAL H H 141 8.646 8.646 8.815 -0.169 19637 2237 1 3 . 1 1 142 142 ASP N N 142 122.520 122.520 126.638 -4.118 19637 2238 1 3 . 1 1 142 142 ASP C C 142 175.259 175.259 174.843 0.416 19637 2239 1 3 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.911 -1.200 19637 2240 1 3 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.112 -1.332 19637 2241 1 3 . 1 1 142 142 ASP H H 142 7.402 7.402 8.452 -1.050 19637 2242 1 3 . 1 1 143 143 TYR N N 143 122.331 122.331 122.554 -0.223 19637 2243 1 3 . 1 1 143 143 TYR C C 143 173.870 173.870 174.996 -1.126 19637 2244 1 3 . 1 1 143 143 TYR CA C 143 54.948 54.948 58.263 -3.314 19637 2245 1 3 . 1 1 143 143 TYR CB C 143 40.765 40.765 39.826 0.939 19637 2246 1 3 . 1 1 143 143 TYR H H 143 9.396 9.396 9.003 0.393 19637 2247 1 3 . 1 1 144 144 LEU N N 144 130.341 130.341 128.248 2.093 19637 2248 1 3 . 1 1 144 144 LEU C C 144 174.786 174.786 176.072 -1.286 19637 2249 1 3 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.350 0.174 19637 2250 1 3 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.026 -1.349 19637 2251 1 3 . 1 1 144 144 LEU H H 144 8.313 8.313 7.943 0.370 19637 2252 1 3 . 1 1 145 145 ILE N N 145 124.602 124.602 122.633 1.969 19637 2253 1 3 . 1 1 145 145 ILE C C 145 177.593 177.593 175.605 1.988 19637 2254 1 3 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.163 -2.066 19637 2255 1 3 . 1 1 145 145 ILE CB C 145 36.864 36.864 35.733 1.131 19637 2256 1 3 . 1 1 145 145 ILE H H 145 8.809 8.809 8.311 0.498 19637 2257 1 3 . 1 1 146 146 ASN N N 146 118.348 118.348 124.001 -5.653 19637 2258 1 3 . 1 1 146 146 ASN CA C 146 51.318 51.318 55.448 -4.130 19637 2259 1 3 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.349 -2.397 19637 2260 1 3 . 1 1 146 146 ASN H H 146 8.362 8.362 8.857 -0.495 19637 2261 1 3 . 1 1 147 147 ARG N N 147 113.940 113.940 117.936 -3.996 19637 2262 1 3 . 1 1 147 147 ARG C C 147 176.470 176.470 175.894 0.576 19637 2263 1 3 . 1 1 147 147 ARG CA C 147 58.584 58.584 57.260 1.324 19637 2264 1 3 . 1 1 147 147 ARG CB C 147 28.705 28.705 31.517 -2.812 19637 2265 1 3 . 1 1 147 147 ARG H H 147 8.072 8.072 8.322 -0.249 19637 2266 1 3 . 1 1 148 148 ASP N N 148 112.938 112.938 116.380 -3.442 19637 2267 1 3 . 1 1 148 148 ASP C C 148 174.373 174.373 174.818 -0.445 19637 2268 1 3 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.968 0.359 19637 2269 1 3 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.920 0.708 19637 2270 1 3 . 1 1 148 148 ASP H H 148 7.668 7.668 8.181 -0.513 19637 2271 1 3 . 1 1 149 149 TRP N N 149 116.148 116.148 116.866 -0.718 19637 2272 1 3 . 1 1 149 149 TRP C C 149 175.574 175.574 174.214 1.360 19637 2273 1 3 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.668 -0.182 19637 2274 1 3 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.490 2.230 19637 2275 1 3 . 1 1 149 149 TRP H H 149 7.788 7.788 7.384 0.404 19637 2276 1 3 . 1 1 150 150 LEU N N 150 118.106 118.106 119.746 -1.640 19637 2277 1 3 . 1 1 150 150 LEU C C 150 175.141 175.141 176.731 -1.590 19637 2278 1 3 . 1 1 150 150 LEU CA C 150 52.155 52.155 54.426 -2.271 19637 2279 1 3 . 1 1 150 150 LEU CB C 150 44.401 44.401 43.189 1.212 19637 2280 1 3 . 1 1 150 150 LEU H H 150 9.306 9.306 8.486 0.820 19637 2281 1 3 . 1 1 151 151 VAL N N 151 115.211 115.211 118.995 -3.784 19637 2282 1 3 . 1 1 151 151 VAL C C 151 173.524 173.524 173.782 -0.258 19637 2283 1 3 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.860 -1.561 19637 2284 1 3 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.712 -0.862 19637 2285 1 3 . 1 1 151 151 VAL H H 151 9.293 9.293 8.754 0.539 19637 2286 1 3 . 1 1 152 152 ASN N N 152 124.526 124.526 124.974 -0.448 19637 2287 1 3 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.276 -0.521 19637 2288 1 3 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.769 0.859 19637 2289 1 3 . 1 1 152 152 ASN H H 152 8.893 8.893 8.893 -0.000 19637 2290 1 3 . 1 1 153 153 MET N N 153 118.533 118.533 126.643 -8.110 19637 2291 1 3 . 1 1 153 153 MET C C 153 173.987 173.987 173.522 0.465 19637 2292 1 3 . 1 1 153 153 MET CA C 153 54.017 54.017 55.281 -1.264 19637 2293 1 3 . 1 1 153 153 MET CB C 153 36.243 36.243 35.837 0.406 19637 2294 1 3 . 1 1 153 153 MET H H 153 8.003 8.003 9.180 -1.177 19637 2295 1 3 . 1 1 154 154 SER N N 154 113.225 113.225 120.393 -7.168 19637 2296 1 3 . 1 1 154 154 SER C C 154 172.120 172.120 171.834 0.286 19637 2297 1 3 . 1 1 154 154 SER CA C 154 56.550 56.550 58.157 -1.607 19637 2298 1 3 . 1 1 154 154 SER CB C 154 64.619 64.619 66.814 -2.195 19637 2299 1 3 . 1 1 154 154 SER H H 154 9.191 9.191 9.015 0.176 19637 2300 1 3 . 1 1 155 155 VAL N N 155 119.543 119.543 119.131 0.412 19637 2301 1 3 . 1 1 155 155 VAL C C 155 173.973 173.973 174.352 -0.379 19637 2302 1 3 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.232 -1.850 19637 2303 1 3 . 1 1 155 155 VAL H H 155 9.190 9.190 7.894 1.296 19637 2304 1 3 . 1 1 156 156 TRP N N 156 124.596 124.596 125.942 -1.346 19637 2305 1 3 . 1 1 156 156 TRP C C 156 175.237 175.237 175.568 -0.331 19637 2306 1 3 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.807 -2.544 19637 2307 1 3 . 1 1 156 156 TRP CB C 156 33.228 33.228 31.088 2.140 19637 2308 1 3 . 1 1 156 156 TRP H H 156 9.883 9.883 8.354 1.529 19637 2309 1 3 . 1 1 160 160 ILE N N 160 123.211 123.211 117.907 5.304 19637 2310 1 3 . 1 1 160 160 ILE C C 160 173.545 173.545 173.224 0.321 19637 2311 1 3 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.762 0.507 19637 2312 1 3 . 1 1 160 160 ILE H H 160 7.948 7.948 7.931 0.017 19637 2313 1 3 . 1 1 161 161 ASP N N 161 128.357 128.357 124.161 4.196 19637 2314 1 3 . 1 1 161 161 ASP CA C 161 52.421 52.421 52.827 -0.406 19637 2315 1 3 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.882 -0.052 19637 2316 1 3 . 1 1 161 161 ASP H H 161 8.302 8.302 8.395 -0.093 19637 2317 1 3 . 1 1 162 162 THR N N 162 117.472 117.472 120.944 -3.472 19637 2318 1 3 . 1 1 162 162 THR CA C 162 57.259 57.259 61.480 -4.221 19637 2319 1 3 . 1 1 162 162 THR CB C 162 68.167 68.167 70.930 -2.763 19637 2320 1 3 . 1 1 162 162 THR H H 162 8.788 8.788 8.112 0.676 19637 2321 1 3 . 1 1 163 163 THR N N 163 120.189 120.189 119.722 0.467 19637 2322 1 3 . 1 1 163 163 THR CA C 163 60.629 60.629 61.516 -0.887 19637 2323 1 3 . 1 1 163 163 THR CB C 163 68.278 68.278 69.136 -0.858 19637 2324 1 3 . 1 1 163 163 THR H H 163 8.429 8.429 8.802 -0.373 19637 2325 1 3 . 1 1 164 164 ALA N N 164 127.991 127.991 127.707 0.284 19637 2326 1 3 . 1 1 164 164 ALA C C 164 174.993 174.993 175.250 -0.257 19637 2327 1 3 . 1 1 164 164 ALA CA C 164 49.190 49.190 51.313 -2.123 19637 2328 1 3 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.860 -2.909 19637 2329 1 3 . 1 1 164 164 ALA H H 164 9.428 9.428 8.959 0.469 19637 2330 1 3 . 1 1 165 165 ASN N N 165 122.214 122.214 125.572 -3.358 19637 2331 1 3 . 1 1 165 165 ASN C C 165 173.047 173.047 173.905 -0.858 19637 2332 1 3 . 1 1 165 165 ASN CA C 165 51.141 51.141 51.542 -0.401 19637 2333 1 3 . 1 1 165 165 ASN CB C 165 40.056 40.056 39.057 0.999 19637 2334 1 3 . 1 1 165 165 ASN H H 165 9.216 9.216 8.351 0.865 19637 2335 1 3 . 1 1 166 166 TYR N N 166 116.330 116.330 120.011 -3.681 19637 2336 1 3 . 1 1 166 166 TYR C C 166 172.260 172.260 174.694 -2.434 19637 2337 1 3 . 1 1 166 166 TYR CA C 166 55.397 55.397 56.334 -0.937 19637 2338 1 3 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.849 -2.187 19637 2339 1 3 . 1 1 166 166 TYR H H 166 7.816 7.816 7.579 0.237 19637 2340 1 3 . 1 1 167 167 LYS N N 167 117.734 117.734 122.890 -5.156 19637 2341 1 3 . 1 1 167 167 LYS C C 167 174.760 174.760 174.800 -0.040 19637 2342 1 3 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.917 -1.166 19637 2343 1 3 . 1 1 167 167 LYS CB C 167 34.381 34.381 34.657 -0.277 19637 2344 1 3 . 1 1 167 167 LYS H H 167 9.100 9.100 8.960 0.140 19637 2345 1 3 . 1 1 168 168 LEU N N 168 121.623 121.623 126.939 -5.316 19637 2346 1 3 . 1 1 168 168 LEU C C 168 177.877 177.877 176.988 0.889 19637 2347 1 3 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.382 -1.873 19637 2348 1 3 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.794 0.100 19637 2349 1 3 . 1 1 168 168 LEU H H 168 8.372 8.372 8.415 -0.043 19637 2350 1 3 . 1 1 169 169 GLY N N 169 119.264 119.264 113.072 6.192 19637 2351 1 3 . 1 1 169 169 GLY C C 169 175.602 175.602 174.620 0.982 19637 2352 1 3 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.929 1.328 19637 2353 1 3 . 1 1 169 169 GLY H H 169 9.603 9.603 8.781 0.822 19637 2354 1 3 . 1 1 170 170 GLY N N 170 104.659 104.659 105.663 -1.004 19637 2355 1 3 . 1 1 170 170 GLY C C 170 172.570 172.570 173.305 -0.735 19637 2356 1 3 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.130 -1.090 19637 2357 1 3 . 1 1 170 170 GLY H H 170 8.381 8.381 8.298 0.083 19637 2358 1 3 . 1 1 171 171 ALA N N 171 123.570 123.570 122.925 0.645 19637 2359 1 3 . 1 1 171 171 ALA C C 171 177.569 177.569 176.531 1.038 19637 2360 1 3 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.703 -0.810 19637 2361 1 3 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.384 -2.054 19637 2362 1 3 . 1 1 171 171 ALA H H 171 7.650 7.650 7.845 -0.195 19637 2363 1 3 . 1 1 172 172 GLN N N 172 124.057 124.057 124.841 -0.784 19637 2364 1 3 . 1 1 172 172 GLN C C 172 174.869 174.869 175.501 -0.632 19637 2365 1 3 . 1 1 172 172 GLN CA C 172 56.018 56.018 56.152 -0.134 19637 2366 1 3 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.515 -0.342 19637 2367 1 3 . 1 1 172 172 GLN H H 172 8.840 8.840 8.767 0.073 19637 2368 1 3 . 1 1 173 173 GLN N N 173 124.328 124.328 125.354 -1.026 19637 2369 1 3 . 1 1 173 173 GLN C C 173 174.953 174.953 173.948 1.005 19637 2370 1 3 . 1 1 173 173 GLN CA C 173 52.155 52.155 53.552 -1.397 19637 2371 1 3 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.866 -1.451 19637 2372 1 3 . 1 1 173 173 GLN H H 173 9.023 9.023 7.844 1.179 19637 2373 1 3 . 1 1 174 174 HIS N N 174 115.629 115.629 113.356 2.273 19637 2374 1 3 . 1 1 174 174 HIS C C 174 173.103 173.103 173.194 -0.091 19637 2375 1 3 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.932 -1.486 19637 2376 1 3 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.595 -0.914 19637 2377 1 3 . 1 1 174 174 HIS H H 174 8.227 8.227 7.973 0.254 19637 2378 1 3 . 1 1 175 175 ASP N N 175 120.615 120.615 123.587 -2.972 19637 2379 1 3 . 1 1 175 175 ASP C C 175 175.013 175.013 174.771 0.242 19637 2380 1 3 . 1 1 175 175 ASP CA C 175 52.731 52.731 52.784 -0.053 19637 2381 1 3 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.847 1.264 19637 2382 1 3 . 1 1 175 175 ASP H H 175 8.964 8.964 8.641 0.323 19637 2383 1 3 . 1 1 176 176 SER N N 176 118.175 118.175 116.303 1.872 19637 2384 1 3 . 1 1 176 176 SER C C 176 173.496 173.496 174.372 -0.876 19637 2385 1 3 . 1 1 176 176 SER CA C 176 57.697 57.697 57.219 0.478 19637 2386 1 3 . 1 1 176 176 SER CB C 176 62.757 62.757 63.455 -0.697 19637 2387 1 3 . 1 1 176 176 SER H H 176 9.137 9.137 8.491 0.646 19637 2388 1 3 . 1 1 177 177 VAL N N 177 123.737 123.737 127.635 -3.898 19637 2389 1 3 . 1 1 177 177 VAL C C 177 173.398 173.398 174.922 -1.524 19637 2390 1 3 . 1 1 177 177 VAL CA C 177 60.277 60.277 63.178 -2.901 19637 2391 1 3 . 1 1 177 177 VAL CB C 177 32.518 32.518 31.146 1.372 19637 2392 1 3 . 1 1 177 177 VAL H H 177 8.492 8.492 8.996 -0.504 19637 2393 1 3 . 1 1 178 178 ARG N N 178 127.628 127.628 127.019 0.609 19637 2394 1 3 . 1 1 178 178 ARG C C 178 175.097 175.097 174.902 0.195 19637 2395 1 3 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.400 -0.383 19637 2396 1 3 . 1 1 178 178 ARG CB C 178 29.149 29.149 33.009 -3.860 19637 2397 1 3 . 1 1 178 178 ARG H H 178 8.513 8.513 8.110 0.403 19637 2398 1 3 . 1 1 182 182 TRP N N 182 115.616 115.616 119.368 -3.752 19637 2399 1 3 . 1 1 182 182 TRP C C 182 176.613 176.613 175.040 1.573 19637 2400 1 3 . 1 1 182 182 TRP CA C 182 55.228 55.228 54.974 0.254 19637 2401 1 3 . 1 1 182 182 TRP CB C 182 31.809 31.809 29.776 2.034 19637 2402 1 3 . 1 1 182 182 TRP H H 182 7.491 7.491 8.176 -0.685 19637 2403 1 3 . 1 1 183 183 VAL N N 183 121.618 121.618 116.199 5.419 19637 2404 1 3 . 1 1 183 183 VAL CA C 183 58.628 58.628 59.462 -0.834 19637 2405 1 3 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.833 -3.137 19637 2406 1 3 . 1 1 183 183 VAL H H 183 9.372 9.372 8.580 0.792 19637 2407 1 3 . 1 1 185 185 MET N N 185 129.032 129.032 126.207 2.825 19637 2408 1 3 . 1 1 185 185 MET C C 185 172.186 172.186 173.671 -1.485 19637 2409 1 3 . 1 1 185 185 MET CA C 185 53.091 53.091 53.759 -0.668 19637 2410 1 3 . 1 1 185 185 MET CB C 185 33.405 33.405 33.814 -0.409 19637 2411 1 3 . 1 1 185 185 MET H H 185 9.615 9.615 7.913 1.702 19637 2412 1 3 . 1 1 186 186 PHE N N 186 124.085 124.085 126.845 -2.760 19637 2413 1 3 . 1 1 186 186 PHE C C 186 174.816 174.816 173.216 1.600 19637 2414 1 3 . 1 1 186 186 PHE CA C 186 55.131 55.131 57.341 -2.210 19637 2415 1 3 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.458 -1.870 19637 2416 1 3 . 1 1 186 186 PHE H H 186 7.976 7.976 8.627 -0.651 19637 2417 1 3 . 1 1 187 187 SER N N 187 116.369 116.369 118.894 -2.525 19637 2418 1 3 . 1 1 187 187 SER C C 187 171.305 171.305 171.891 -0.586 19637 2419 1 3 . 1 1 187 187 SER CA C 187 57.348 57.348 57.324 0.024 19637 2420 1 3 . 1 1 187 187 SER CB C 187 66.127 66.127 65.620 0.507 19637 2421 1 3 . 1 1 187 187 SER H H 187 9.355 9.355 8.259 1.096 19637 2422 1 3 . 1 1 188 188 ALA N N 188 119.248 119.248 122.794 -3.546 19637 2423 1 3 . 1 1 188 188 ALA C C 188 175.996 175.996 176.179 -0.183 19637 2424 1 3 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.764 -1.679 19637 2425 1 3 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.232 0.847 19637 2426 1 3 . 1 1 188 188 ALA H H 188 8.300 8.300 8.147 0.153 19637 2427 1 3 . 1 1 189 189 GLY N N 189 104.914 104.914 104.187 0.727 19637 2428 1 3 . 1 1 189 189 GLY C C 189 170.650 170.650 171.807 -1.157 19637 2429 1 3 . 1 1 189 189 GLY CA C 189 44.046 44.046 44.818 -0.772 19637 2430 1 3 . 1 1 189 189 GLY H H 189 9.235 9.235 7.477 1.758 19637 2431 1 3 . 1 1 190 190 TYR N N 190 121.149 121.149 119.305 1.844 19637 2432 1 3 . 1 1 190 190 TYR C C 190 173.608 173.608 174.575 -0.967 19637 2433 1 3 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.881 -0.750 19637 2434 1 3 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.381 -1.019 19637 2435 1 3 . 1 1 190 190 TYR H H 190 8.865 8.865 9.095 -0.230 19637 2436 1 3 . 1 1 191 191 ARG N N 191 125.697 125.697 121.003 4.694 19637 2437 1 3 . 1 1 191 191 ARG CA C 191 53.529 53.529 57.049 -3.520 19637 2438 1 3 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.496 -0.549 19637 2439 1 3 . 1 1 191 191 ARG H H 191 7.469 7.469 8.829 -1.360 19637 2440 1 4 . 1 1 2 2 HIS N N 2 119.214 119.214 118.798 0.416 19637 2441 1 4 . 1 1 2 2 HIS C C 2 171.081 171.081 173.197 -2.116 19637 2442 1 4 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.035 -3.747 19637 2443 1 4 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.783 -7.487 19637 2444 1 4 . 1 1 2 2 HIS H H 2 8.422 8.422 8.744 -0.322 19637 2445 1 4 . 1 1 3 3 GLU N N 3 113.500 113.500 124.157 -10.657 19637 2446 1 4 . 1 1 3 3 GLU C C 3 174.619 174.619 174.541 0.078 19637 2447 1 4 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.278 -2.616 19637 2448 1 4 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.870 -2.455 19637 2449 1 4 . 1 1 3 3 GLU H H 3 6.642 6.642 8.332 -1.690 19637 2450 1 4 . 1 1 4 4 ALA N N 4 120.680 120.680 122.107 -1.427 19637 2451 1 4 . 1 1 4 4 ALA C C 4 178.439 178.439 177.394 1.045 19637 2452 1 4 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.452 -1.075 19637 2453 1 4 . 1 1 4 4 ALA CB C 4 17.443 17.443 19.038 -1.595 19637 2454 1 4 . 1 1 4 4 ALA H H 4 8.701 8.701 8.449 0.252 19637 2455 1 4 . 1 1 5 5 GLY N N 5 112.786 112.786 109.869 2.917 19637 2456 1 4 . 1 1 5 5 GLY C C 5 173.309 173.309 174.282 -0.973 19637 2457 1 4 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.672 -1.119 19637 2458 1 4 . 1 1 5 5 GLY H H 5 9.294 9.294 8.126 1.168 19637 2459 1 4 . 1 1 6 6 GLU N N 6 121.755 121.755 121.390 0.365 19637 2460 1 4 . 1 1 6 6 GLU C C 6 173.693 173.693 174.278 -0.585 19637 2461 1 4 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.551 0.467 19637 2462 1 4 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.022 0.166 19637 2463 1 4 . 1 1 6 6 GLU H H 6 7.955 7.955 7.836 0.119 19637 2464 1 4 . 1 1 7 7 PHE N N 7 124.802 124.802 119.672 5.130 19637 2465 1 4 . 1 1 7 7 PHE C C 7 174.039 174.039 174.712 -0.673 19637 2466 1 4 . 1 1 7 7 PHE CA C 7 54.333 54.333 57.289 -2.956 19637 2467 1 4 . 1 1 7 7 PHE CB C 7 41.741 41.741 42.855 -1.114 19637 2468 1 4 . 1 1 7 7 PHE H H 7 8.648 8.648 8.697 -0.049 19637 2469 1 4 . 1 1 8 8 PHE N N 8 121.132 121.132 124.199 -3.067 19637 2470 1 4 . 1 1 8 8 PHE C C 8 171.861 171.861 174.276 -2.415 19637 2471 1 4 . 1 1 8 8 PHE CA C 8 54.549 54.549 57.177 -2.628 19637 2472 1 4 . 1 1 8 8 PHE CB C 8 40.677 40.677 41.587 -0.910 19637 2473 1 4 . 1 1 8 8 PHE H H 8 8.574 8.574 9.200 -0.626 19637 2474 1 4 . 1 1 9 9 MET N N 9 120.391 120.391 127.717 -7.326 19637 2475 1 4 . 1 1 9 9 MET C C 9 174.166 174.166 173.711 0.455 19637 2476 1 4 . 1 1 9 9 MET CA C 9 52.199 52.199 53.362 -1.163 19637 2477 1 4 . 1 1 9 9 MET CB C 9 37.307 37.307 33.987 3.320 19637 2478 1 4 . 1 1 9 9 MET H H 9 8.541 8.541 8.692 -0.151 19637 2479 1 4 . 1 1 10 10 ARG N N 10 117.892 117.892 123.138 -5.246 19637 2480 1 4 . 1 1 10 10 ARG C C 10 175.289 175.289 174.087 1.202 19637 2481 1 4 . 1 1 10 10 ARG CA C 10 53.446 53.446 53.349 0.097 19637 2482 1 4 . 1 1 10 10 ARG CB C 10 31.366 31.366 33.840 -2.474 19637 2483 1 4 . 1 1 10 10 ARG H H 10 8.357 8.357 8.704 -0.347 19637 2484 1 4 . 1 1 11 11 ALA N N 11 119.664 119.664 122.874 -3.210 19637 2485 1 4 . 1 1 11 11 ALA C C 11 176.057 176.057 177.557 -1.500 19637 2486 1 4 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.922 -1.290 19637 2487 1 4 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.271 2.247 19637 2488 1 4 . 1 1 11 11 ALA H H 11 9.154 9.154 7.888 1.266 19637 2489 1 4 . 1 1 12 12 GLY N N 12 106.262 106.262 110.517 -4.255 19637 2490 1 4 . 1 1 12 12 GLY C C 12 172.068 172.068 173.323 -1.255 19637 2491 1 4 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.013 0.136 19637 2492 1 4 . 1 1 12 12 GLY H H 12 8.655 8.655 8.500 0.155 19637 2493 1 4 . 1 1 13 13 SER N N 13 116.893 116.893 120.037 -3.144 19637 2494 1 4 . 1 1 13 13 SER C C 13 173.604 173.604 173.141 0.463 19637 2495 1 4 . 1 1 13 13 SER CA C 13 56.367 56.367 55.629 0.738 19637 2496 1 4 . 1 1 13 13 SER CB C 13 64.087 64.087 63.167 0.919 19637 2497 1 4 . 1 1 13 13 SER H H 13 8.644 8.644 7.905 0.739 19637 2498 1 4 . 1 1 14 14 ALA N N 14 125.234 125.234 129.804 -4.570 19637 2499 1 4 . 1 1 14 14 ALA CA C 14 49.627 49.627 49.937 -0.310 19637 2500 1 4 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.914 -1.584 19637 2501 1 4 . 1 1 14 14 ALA H H 14 9.120 9.120 7.822 1.298 19637 2502 1 4 . 1 1 15 15 THR N N 15 121.303 121.303 116.338 4.965 19637 2503 1 4 . 1 1 15 15 THR C C 15 175.230 175.230 173.586 1.644 19637 2504 1 4 . 1 1 15 15 THR CA C 15 60.895 60.895 62.016 -1.121 19637 2505 1 4 . 1 1 15 15 THR CB C 15 70.029 70.029 69.617 0.412 19637 2506 1 4 . 1 1 15 15 THR H H 15 9.351 9.351 8.616 0.735 19637 2507 1 4 . 1 1 16 16 VAL N N 16 126.781 126.781 126.683 0.098 19637 2508 1 4 . 1 1 16 16 VAL C C 16 174.432 174.432 174.366 0.066 19637 2509 1 4 . 1 1 16 16 VAL CA C 16 60.806 60.806 60.450 0.356 19637 2510 1 4 . 1 1 16 16 VAL CB C 16 30.922 30.922 34.845 -3.923 19637 2511 1 4 . 1 1 16 16 VAL H H 16 9.110 9.110 8.661 0.449 19637 2512 1 4 . 1 1 17 17 ARG N N 17 129.806 129.806 128.771 1.035 19637 2513 1 4 . 1 1 17 17 ARG C C 17 173.440 173.440 173.708 -0.268 19637 2514 1 4 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.608 -1.201 19637 2515 1 4 . 1 1 17 17 ARG CB C 17 30.302 30.302 33.482 -3.180 19637 2516 1 4 . 1 1 17 17 ARG H H 17 9.325 9.325 8.747 0.578 19637 2517 1 4 . 1 1 19 19 THR N N 19 114.402 114.402 109.912 4.490 19637 2518 1 4 . 1 1 19 19 THR CA C 19 61.022 61.022 64.535 -3.513 19637 2519 1 4 . 1 1 19 19 THR CB C 19 69.142 69.142 68.938 0.204 19637 2520 1 4 . 1 1 19 19 THR H H 19 8.021 8.021 8.338 -0.317 19637 2521 1 4 . 1 1 20 20 GLU N N 20 123.598 123.598 121.136 2.462 19637 2522 1 4 . 1 1 20 20 GLU C C 20 177.007 177.007 176.426 0.581 19637 2523 1 4 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.616 -1.136 19637 2524 1 4 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.130 -1.336 19637 2525 1 4 . 1 1 20 20 GLU H H 20 8.601 8.601 7.908 0.693 19637 2526 1 4 . 1 1 21 21 GLY N N 21 110.237 110.237 106.807 3.430 19637 2527 1 4 . 1 1 21 21 GLY C C 21 174.077 174.077 174.675 -0.598 19637 2528 1 4 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.969 -0.308 19637 2529 1 4 . 1 1 21 21 GLY H H 21 8.530 8.530 8.037 0.493 19637 2530 1 4 . 1 1 22 22 ALA N N 22 123.476 123.476 123.926 -0.450 19637 2531 1 4 . 1 1 22 22 ALA C C 22 178.158 178.158 179.023 -0.865 19637 2532 1 4 . 1 1 22 22 ALA CA C 22 51.755 51.755 53.825 -2.070 19637 2533 1 4 . 1 1 22 22 ALA CB C 22 17.778 17.778 18.683 -0.905 19637 2534 1 4 . 1 1 22 22 ALA H H 22 8.279 8.279 7.905 0.374 19637 2535 1 4 . 1 1 23 23 GLY N N 23 107.265 107.265 106.686 0.579 19637 2536 1 4 . 1 1 23 23 GLY C C 23 174.727 174.727 174.694 0.033 19637 2537 1 4 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.703 -0.263 19637 2538 1 4 . 1 1 23 23 GLY H H 23 8.452 8.452 8.530 -0.078 19637 2539 1 4 . 1 1 24 24 GLY N N 24 108.306 108.306 107.897 0.409 19637 2540 1 4 . 1 1 24 24 GLY C C 24 174.786 174.786 173.011 1.775 19637 2541 1 4 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.244 -0.804 19637 2542 1 4 . 1 1 24 24 GLY H H 24 8.221 8.221 7.981 0.240 19637 2543 1 4 . 1 1 25 25 THR N N 25 114.381 114.381 111.771 2.610 19637 2544 1 4 . 1 1 25 25 THR C C 25 175.170 175.170 175.267 -0.097 19637 2545 1 4 . 1 1 25 25 THR CA C 25 61.599 61.599 62.136 -0.538 19637 2546 1 4 . 1 1 25 25 THR CB C 25 68.521 68.521 69.919 -1.398 19637 2547 1 4 . 1 1 25 25 THR H H 25 8.213 8.213 8.343 -0.130 19637 2548 1 4 . 1 1 26 26 LEU N N 26 123.038 123.038 121.520 1.518 19637 2549 1 4 . 1 1 26 26 LEU C C 26 177.918 177.918 176.923 0.995 19637 2550 1 4 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.911 -0.229 19637 2551 1 4 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.781 -2.636 19637 2552 1 4 . 1 1 26 26 LEU H H 26 8.425 8.425 8.303 0.122 19637 2553 1 4 . 1 1 27 27 GLY N N 27 108.786 108.786 107.653 1.133 19637 2554 1 4 . 1 1 27 27 GLY C C 27 175.023 175.023 173.145 1.878 19637 2555 1 4 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.380 0.459 19637 2556 1 4 . 1 1 27 27 GLY H H 27 8.260 8.260 7.999 0.261 19637 2557 1 4 . 1 1 28 28 SER N N 28 116.175 116.175 114.074 2.101 19637 2558 1 4 . 1 1 28 28 SER CA C 28 58.140 58.140 57.503 0.637 19637 2559 1 4 . 1 1 28 28 SER CB C 28 62.846 62.846 63.984 -1.138 19637 2560 1 4 . 1 1 28 28 SER H H 28 8.330 8.330 8.188 0.142 19637 2561 1 4 . 1 1 29 29 LEU N N 29 122.260 122.260 123.032 -0.772 19637 2562 1 4 . 1 1 29 29 LEU C C 29 177.512 177.512 177.557 -0.045 19637 2563 1 4 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.388 -0.972 19637 2564 1 4 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.331 -2.009 19637 2565 1 4 . 1 1 29 29 LEU H H 29 8.157 8.157 8.251 -0.094 19637 2566 1 4 . 1 1 30 30 GLY N N 30 107.575 107.575 106.795 0.780 19637 2567 1 4 . 1 1 30 30 GLY C C 30 174.225 174.225 174.581 -0.356 19637 2568 1 4 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.505 0.023 19637 2569 1 4 . 1 1 30 30 GLY H H 30 8.144 8.144 8.449 -0.305 19637 2570 1 4 . 1 1 31 31 GLY N N 31 107.996 107.996 107.923 0.073 19637 2571 1 4 . 1 1 31 31 GLY C C 31 173.664 173.664 172.761 0.903 19637 2572 1 4 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.857 -0.639 19637 2573 1 4 . 1 1 31 31 GLY H H 31 8.044 8.044 7.764 0.280 19637 2574 1 4 . 1 1 32 32 PHE N N 32 119.248 119.248 120.637 -1.389 19637 2575 1 4 . 1 1 32 32 PHE C C 32 175.495 175.495 173.677 1.818 19637 2576 1 4 . 1 1 32 32 PHE CA C 32 56.373 56.373 56.538 -0.165 19637 2577 1 4 . 1 1 32 32 PHE CB C 32 39.258 39.258 43.349 -4.091 19637 2578 1 4 . 1 1 32 32 PHE H H 32 8.181 8.181 8.157 0.024 19637 2579 1 4 . 1 1 33 33 SER N N 33 117.720 117.720 117.005 0.715 19637 2580 1 4 . 1 1 33 33 SER C C 33 173.368 173.368 172.995 0.373 19637 2581 1 4 . 1 1 33 33 SER CA C 33 55.746 55.746 56.945 -1.199 19637 2582 1 4 . 1 1 33 33 SER CB C 33 64.265 64.265 64.093 0.172 19637 2583 1 4 . 1 1 33 33 SER H H 33 8.771 8.771 7.051 1.720 19637 2584 1 4 . 1 1 34 34 VAL N N 34 123.007 123.007 119.271 3.736 19637 2585 1 4 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.300 -1.874 19637 2586 1 4 . 1 1 34 34 VAL CB C 34 32.785 32.785 33.295 -0.510 19637 2587 1 4 . 1 1 34 34 VAL H H 34 8.525 8.525 8.021 0.504 19637 2588 1 4 . 1 1 35 35 THR N N 35 115.459 115.459 118.617 -3.158 19637 2589 1 4 . 1 1 35 35 THR CA C 35 61.200 61.200 62.858 -1.658 19637 2590 1 4 . 1 1 35 35 THR CB C 35 69.851 69.851 69.162 0.689 19637 2591 1 4 . 1 1 35 35 THR H H 35 8.147 8.147 8.324 -0.177 19637 2592 1 4 . 1 1 36 36 ASN N N 36 118.274 118.274 125.240 -6.966 19637 2593 1 4 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.147 -1.740 19637 2594 1 4 . 1 1 36 36 ASN CB C 36 38.105 38.105 40.050 -1.945 19637 2595 1 4 . 1 1 36 36 ASN H H 36 8.719 8.719 8.647 0.072 19637 2596 1 4 . 1 1 37 37 ASN N N 37 115.657 115.657 117.756 -2.099 19637 2597 1 4 . 1 1 37 37 ASN CA C 37 54.865 54.865 54.131 0.734 19637 2598 1 4 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.834 3.478 19637 2599 1 4 . 1 1 37 37 ASN H H 37 8.432 8.432 8.202 0.230 19637 2600 1 4 . 1 1 38 38 THR N N 38 122.444 122.444 117.619 4.825 19637 2601 1 4 . 1 1 38 38 THR CA C 38 61.288 61.288 61.360 -0.072 19637 2602 1 4 . 1 1 38 38 THR CB C 38 69.142 69.142 67.389 1.753 19637 2603 1 4 . 1 1 38 38 THR H H 38 8.095 8.095 8.384 -0.289 19637 2604 1 4 . 1 1 40 40 LEU N N 40 120.457 120.457 121.105 -0.648 19637 2605 1 4 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.141 -0.814 19637 2606 1 4 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.410 -1.192 19637 2607 1 4 . 1 1 40 40 LEU H H 40 6.902 6.902 7.886 -0.984 19637 2608 1 4 . 1 1 41 41 GLY N N 41 111.223 111.223 108.323 2.900 19637 2609 1 4 . 1 1 41 41 GLY C C 41 171.034 171.034 172.071 -1.037 19637 2610 1 4 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.611 -1.768 19637 2611 1 4 . 1 1 41 41 GLY H H 41 8.978 8.978 8.187 0.791 19637 2612 1 4 . 1 1 42 42 LEU N N 42 122.123 122.123 116.598 5.525 19637 2613 1 4 . 1 1 42 42 LEU C C 42 175.350 175.350 175.057 0.293 19637 2614 1 4 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.528 -1.373 19637 2615 1 4 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.481 -0.104 19637 2616 1 4 . 1 1 42 42 LEU H H 42 8.679 8.679 8.291 0.388 19637 2617 1 4 . 1 1 43 43 THR N N 43 109.917 109.917 111.316 -1.399 19637 2618 1 4 . 1 1 43 43 THR C C 43 173.516 173.516 173.064 0.452 19637 2619 1 4 . 1 1 43 43 THR CA C 43 58.057 58.057 60.718 -2.661 19637 2620 1 4 . 1 1 43 43 THR CB C 43 70.029 70.029 72.185 -2.156 19637 2621 1 4 . 1 1 43 43 THR H H 43 8.792 8.792 8.519 0.273 19637 2622 1 4 . 1 1 44 44 PHE N N 44 118.699 118.699 123.860 -5.161 19637 2623 1 4 . 1 1 44 44 PHE C C 44 173.917 173.917 175.663 -1.746 19637 2624 1 4 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.804 -0.325 19637 2625 1 4 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.220 -0.455 19637 2626 1 4 . 1 1 44 44 PHE H H 44 8.566 8.566 8.914 -0.348 19637 2627 1 4 . 1 1 45 45 THR N N 45 118.229 118.229 118.001 0.228 19637 2628 1 4 . 1 1 45 45 THR C C 45 170.886 170.886 173.378 -2.492 19637 2629 1 4 . 1 1 45 45 THR CA C 45 60.097 60.097 60.079 0.018 19637 2630 1 4 . 1 1 45 45 THR CB C 45 68.433 68.433 71.033 -2.600 19637 2631 1 4 . 1 1 45 45 THR H H 45 7.903 7.903 9.028 -1.125 19637 2632 1 4 . 1 1 46 46 TYR N N 46 124.450 124.450 125.184 -0.734 19637 2633 1 4 . 1 1 46 46 TYR C C 46 174.254 174.254 173.365 0.889 19637 2634 1 4 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.785 -2.635 19637 2635 1 4 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.645 0.628 19637 2636 1 4 . 1 1 46 46 TYR H H 46 8.941 8.941 8.915 0.026 19637 2637 1 4 . 1 1 47 47 MET N N 47 123.598 123.598 119.710 3.888 19637 2638 1 4 . 1 1 47 47 MET C C 47 175.082 175.082 176.437 -1.355 19637 2639 1 4 . 1 1 47 47 MET CA C 47 50.425 50.425 56.563 -6.138 19637 2640 1 4 . 1 1 47 47 MET CB C 47 26.222 26.222 32.262 -6.040 19637 2641 1 4 . 1 1 47 47 MET H H 47 7.798 7.798 8.430 -0.632 19637 2642 1 4 . 1 1 48 48 ALA N N 48 129.975 129.975 129.103 0.872 19637 2643 1 4 . 1 1 48 48 ALA C C 48 178.568 178.568 177.316 1.252 19637 2644 1 4 . 1 1 48 48 ALA CA C 48 53.305 53.305 55.051 -1.746 19637 2645 1 4 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.460 -1.748 19637 2646 1 4 . 1 1 48 48 ALA H H 48 8.717 8.717 8.781 -0.064 19637 2647 1 4 . 1 1 49 49 THR N N 49 106.011 106.011 108.745 -2.734 19637 2648 1 4 . 1 1 49 49 THR C C 49 171.950 171.950 172.726 -0.776 19637 2649 1 4 . 1 1 49 49 THR CA C 49 57.786 57.786 63.028 -5.242 19637 2650 1 4 . 1 1 49 49 THR CB C 49 70.535 70.535 67.700 2.835 19637 2651 1 4 . 1 1 49 49 THR H H 49 8.072 8.072 8.008 0.064 19637 2652 1 4 . 1 1 50 50 ASP N N 50 114.062 114.062 121.186 -7.124 19637 2653 1 4 . 1 1 50 50 ASP C C 50 175.318 175.318 175.712 -0.394 19637 2654 1 4 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.521 0.255 19637 2655 1 4 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.955 -1.165 19637 2656 1 4 . 1 1 50 50 ASP H H 50 8.390 8.390 8.330 0.060 19637 2657 1 4 . 1 1 51 51 ASN N N 51 111.850 111.850 116.304 -4.454 19637 2658 1 4 . 1 1 51 51 ASN C C 51 171.684 171.684 174.797 -3.113 19637 2659 1 4 . 1 1 51 51 ASN CA C 51 54.416 54.416 55.413 -0.997 19637 2660 1 4 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.580 2.653 19637 2661 1 4 . 1 1 51 51 ASN H H 51 7.887 7.887 8.609 -0.722 19637 2662 1 4 . 1 1 52 52 ILE N N 52 118.929 118.929 122.480 -3.551 19637 2663 1 4 . 1 1 52 52 ILE C C 52 175.495 175.495 175.855 -0.360 19637 2664 1 4 . 1 1 52 52 ILE CA C 52 59.648 59.648 63.040 -3.392 19637 2665 1 4 . 1 1 52 52 ILE CB C 52 37.484 37.484 38.647 -1.163 19637 2666 1 4 . 1 1 52 52 ILE H H 52 7.707 7.707 7.988 -0.281 19637 2667 1 4 . 1 1 53 53 GLY N N 53 114.998 114.998 112.834 2.164 19637 2668 1 4 . 1 1 53 53 GLY C C 53 171.536 171.536 173.223 -1.687 19637 2669 1 4 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.697 -0.764 19637 2670 1 4 . 1 1 53 53 GLY H H 53 8.678 8.678 8.656 0.022 19637 2671 1 4 . 1 1 54 54 VAL N N 54 118.327 118.327 119.477 -1.150 19637 2672 1 4 . 1 1 54 54 VAL C C 54 173.309 173.309 174.022 -0.713 19637 2673 1 4 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.224 -0.576 19637 2674 1 4 . 1 1 54 54 VAL CB C 54 32.873 32.873 35.760 -2.887 19637 2675 1 4 . 1 1 54 54 VAL H H 54 8.734 8.734 8.870 -0.136 19637 2676 1 4 . 1 1 55 55 GLU N N 55 126.907 126.907 124.215 2.692 19637 2677 1 4 . 1 1 55 55 GLU C C 55 173.575 173.575 174.357 -0.782 19637 2678 1 4 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.795 -1.526 19637 2679 1 4 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.263 1.464 19637 2680 1 4 . 1 1 55 55 GLU H H 55 9.084 9.084 9.122 -0.038 19637 2681 1 4 . 1 1 56 56 LEU N N 56 126.739 126.739 128.699 -1.960 19637 2682 1 4 . 1 1 56 56 LEU C C 56 174.786 174.786 174.581 0.205 19637 2683 1 4 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.832 -1.899 19637 2684 1 4 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.483 -0.462 19637 2685 1 4 . 1 1 56 56 LEU H H 56 9.168 9.168 9.323 -0.155 19637 2686 1 4 . 1 1 57 57 LEU N N 57 127.189 127.189 128.168 -0.979 19637 2687 1 4 . 1 1 57 57 LEU C C 57 174.579 174.579 174.604 -0.025 19637 2688 1 4 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.154 -1.063 19637 2689 1 4 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.515 -1.355 19637 2690 1 4 . 1 1 57 57 LEU H H 57 9.174 9.174 8.465 0.709 19637 2691 1 4 . 1 1 58 58 ALA N N 58 125.061 125.061 127.739 -2.678 19637 2692 1 4 . 1 1 58 58 ALA C C 58 172.925 172.925 175.055 -2.130 19637 2693 1 4 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.832 -1.908 19637 2694 1 4 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.740 -1.661 19637 2695 1 4 . 1 1 58 58 ALA H H 58 9.435 9.435 8.597 0.838 19637 2696 1 4 . 1 1 59 59 ALA N N 59 116.911 116.911 123.122 -6.211 19637 2697 1 4 . 1 1 59 59 ALA C C 59 176.248 176.248 175.256 0.992 19637 2698 1 4 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.293 -2.222 19637 2699 1 4 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.777 -2.118 19637 2700 1 4 . 1 1 59 59 ALA H H 59 6.833 6.833 8.456 -1.623 19637 2701 1 4 . 1 1 60 60 THR N N 60 105.771 105.771 114.690 -8.919 19637 2702 1 4 . 1 1 60 60 THR C C 60 170.975 170.975 173.190 -2.215 19637 2703 1 4 . 1 1 60 60 THR CA C 60 59.515 59.515 58.739 0.776 19637 2704 1 4 . 1 1 60 60 THR CB C 60 63.487 63.487 68.566 -5.079 19637 2705 1 4 . 1 1 60 60 THR H H 60 7.718 7.718 8.543 -0.825 19637 2706 1 4 . 1 1 62 62 PHE N N 62 122.473 122.473 120.733 1.740 19637 2707 1 4 . 1 1 62 62 PHE C C 62 174.934 174.934 174.200 0.734 19637 2708 1 4 . 1 1 62 62 PHE CA C 62 56.721 56.721 59.142 -2.421 19637 2709 1 4 . 1 1 62 62 PHE CB C 62 39.613 39.613 38.155 1.458 19637 2710 1 4 . 1 1 62 62 PHE H H 62 8.251 8.251 7.933 0.318 19637 2711 1 4 . 1 1 63 63 ARG N N 63 118.016 118.016 126.002 -7.986 19637 2712 1 4 . 1 1 63 63 ARG C C 63 174.423 174.423 173.410 1.013 19637 2713 1 4 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.663 -2.015 19637 2714 1 4 . 1 1 63 63 ARG CB C 63 31.898 31.898 34.469 -2.571 19637 2715 1 4 . 1 1 63 63 ARG H H 63 7.378 7.378 8.068 -0.690 19637 2716 1 4 . 1 1 64 64 HIS N N 64 120.040 120.040 115.439 4.601 19637 2717 1 4 . 1 1 64 64 HIS CA C 64 52.953 52.953 54.697 -1.744 19637 2718 1 4 . 1 1 64 64 HIS H H 64 8.588 8.588 7.851 0.737 19637 2719 1 4 . 1 1 66 66 ILE N N 66 122.668 122.668 118.564 4.104 19637 2720 1 4 . 1 1 66 66 ILE C C 66 175.141 175.141 174.053 1.088 19637 2721 1 4 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.647 -1.684 19637 2722 1 4 . 1 1 66 66 ILE CB C 66 38.637 38.637 42.064 -3.427 19637 2723 1 4 . 1 1 66 66 ILE H H 66 8.726 8.726 8.277 0.449 19637 2724 1 4 . 1 1 67 67 GLY N N 67 114.948 114.948 110.885 4.063 19637 2725 1 4 . 1 1 67 67 GLY C C 67 172.570 172.570 172.918 -0.348 19637 2726 1 4 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.322 -0.192 19637 2727 1 4 . 1 1 67 67 GLY H H 67 8.780 8.780 8.536 0.244 19637 2728 1 4 . 1 1 68 68 THR N N 68 106.079 106.079 110.200 -4.121 19637 2729 1 4 . 1 1 68 68 THR C C 68 175.574 175.574 175.705 -0.131 19637 2730 1 4 . 1 1 68 68 THR CA C 68 58.672 58.672 60.096 -1.424 19637 2731 1 4 . 1 1 68 68 THR CB C 68 71.270 71.270 70.914 0.356 19637 2732 1 4 . 1 1 68 68 THR H H 68 7.431 7.431 7.888 -0.457 19637 2733 1 4 . 1 1 69 69 ARG N N 69 122.303 122.303 121.227 1.076 19637 2734 1 4 . 1 1 69 69 ARG C C 69 178.298 178.298 177.433 0.865 19637 2735 1 4 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.299 -0.070 19637 2736 1 4 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.086 -1.913 19637 2737 1 4 . 1 1 69 69 ARG H H 69 8.783 8.783 8.792 -0.009 19637 2738 1 4 . 1 1 70 70 ALA N N 70 117.681 117.681 120.319 -2.638 19637 2739 1 4 . 1 1 70 70 ALA C C 70 179.281 179.281 178.554 0.727 19637 2740 1 4 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.385 -1.116 19637 2741 1 4 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.473 -0.498 19637 2742 1 4 . 1 1 70 70 ALA H H 70 8.262 8.262 7.988 0.274 19637 2743 1 4 . 1 1 71 71 THR N N 71 105.486 105.486 109.364 -3.878 19637 2744 1 4 . 1 1 71 71 THR C C 71 176.136 176.136 175.361 0.775 19637 2745 1 4 . 1 1 71 71 THR CA C 71 60.895 60.895 61.694 -0.799 19637 2746 1 4 . 1 1 71 71 THR CB C 71 70.383 70.383 70.591 -0.208 19637 2747 1 4 . 1 1 71 71 THR H H 71 7.473 7.473 7.692 -0.219 19637 2748 1 4 . 1 1 72 72 GLY N N 72 111.099 111.099 110.888 0.211 19637 2749 1 4 . 1 1 72 72 GLY C C 72 175.052 175.052 172.868 2.184 19637 2750 1 4 . 1 1 72 72 GLY CA C 72 44.046 44.046 44.873 -0.827 19637 2751 1 4 . 1 1 72 72 GLY H H 72 8.194 8.194 8.226 -0.032 19637 2752 1 4 . 1 1 73 73 ASP N N 73 121.919 121.919 121.650 0.269 19637 2753 1 4 . 1 1 73 73 ASP C C 73 177.889 177.889 175.308 2.581 19637 2754 1 4 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.936 1.106 19637 2755 1 4 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.286 -2.762 19637 2756 1 4 . 1 1 73 73 ASP H H 73 8.668 8.668 8.232 0.436 19637 2757 1 4 . 1 1 74 74 ILE N N 74 117.113 117.113 115.906 1.207 19637 2758 1 4 . 1 1 74 74 ILE C C 74 175.013 175.013 173.691 1.322 19637 2759 1 4 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.424 -2.510 19637 2760 1 4 . 1 1 74 74 ILE CB C 74 41.297 41.297 40.237 1.060 19637 2761 1 4 . 1 1 74 74 ILE H H 74 9.327 9.327 8.313 1.014 19637 2762 1 4 . 1 1 75 75 ALA N N 75 121.329 121.329 119.552 1.777 19637 2763 1 4 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.981 -0.556 19637 2764 1 4 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.404 0.119 19637 2765 1 4 . 1 1 75 75 ALA H H 75 8.086 8.086 7.428 0.658 19637 2766 1 4 . 1 1 76 76 THR N N 76 116.168 116.168 112.278 3.890 19637 2767 1 4 . 1 1 76 76 THR C C 76 173.043 173.043 172.668 0.375 19637 2768 1 4 . 1 1 76 76 THR CA C 76 60.540 60.540 60.350 0.190 19637 2769 1 4 . 1 1 76 76 THR CB C 76 69.674 69.674 71.736 -2.062 19637 2770 1 4 . 1 1 76 76 THR H H 76 8.539 8.539 8.079 0.460 19637 2771 1 4 . 1 1 77 77 VAL N N 77 117.996 117.996 117.405 0.591 19637 2772 1 4 . 1 1 77 77 VAL C C 77 174.964 174.964 173.895 1.069 19637 2773 1 4 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.935 -2.587 19637 2774 1 4 . 1 1 77 77 VAL CB C 77 34.026 34.026 35.041 -1.015 19637 2775 1 4 . 1 1 77 77 VAL H H 77 8.578 8.578 7.966 0.612 19637 2776 1 4 . 1 1 78 78 HIS N N 78 116.541 116.541 120.511 -3.970 19637 2777 1 4 . 1 1 78 78 HIS C C 78 173.634 173.634 174.489 -0.855 19637 2778 1 4 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.851 -2.026 19637 2779 1 4 . 1 1 78 78 HIS CB C 78 29.947 29.947 33.062 -3.115 19637 2780 1 4 . 1 1 78 78 HIS H H 78 7.822 7.822 8.788 -0.966 19637 2781 1 4 . 1 1 79 79 HIS N N 79 113.176 113.176 119.057 -5.881 19637 2782 1 4 . 1 1 79 79 HIS C C 79 173.841 173.841 174.546 -0.705 19637 2783 1 4 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.283 -0.867 19637 2784 1 4 . 1 1 79 79 HIS CB C 79 34.026 34.026 30.610 3.416 19637 2785 1 4 . 1 1 79 79 HIS H H 79 7.912 7.912 8.755 -0.843 19637 2786 1 4 . 1 1 80 80 LEU N N 80 118.153 118.153 124.001 -5.848 19637 2787 1 4 . 1 1 80 80 LEU C C 80 177.821 177.821 175.002 2.819 19637 2788 1 4 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.836 -1.677 19637 2789 1 4 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.229 4.034 19637 2790 1 4 . 1 1 80 80 LEU H H 80 8.205 8.205 8.041 0.164 19637 2791 1 4 . 1 1 83 83 THR N N 83 115.326 115.326 112.176 3.150 19637 2792 1 4 . 1 1 83 83 THR C C 83 171.362 171.362 173.843 -2.481 19637 2793 1 4 . 1 1 83 83 THR CA C 83 60.540 60.540 60.628 -0.088 19637 2794 1 4 . 1 1 83 83 THR CB C 83 72.068 72.068 72.304 -0.236 19637 2795 1 4 . 1 1 83 83 THR H H 83 7.688 7.688 8.759 -1.071 19637 2796 1 4 . 1 1 84 84 LEU N N 84 129.848 129.848 124.730 5.118 19637 2797 1 4 . 1 1 84 84 LEU C C 84 174.373 174.373 174.586 -0.213 19637 2798 1 4 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.430 -2.009 19637 2799 1 4 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.307 -0.551 19637 2800 1 4 . 1 1 84 84 LEU H H 84 9.013 9.013 8.187 0.826 19637 2801 1 4 . 1 1 85 85 MET N N 85 121.374 121.374 124.425 -3.051 19637 2802 1 4 . 1 1 85 85 MET C C 85 175.407 175.407 173.927 1.480 19637 2803 1 4 . 1 1 85 85 MET CA C 85 52.421 52.421 54.415 -1.994 19637 2804 1 4 . 1 1 85 85 MET CB C 85 34.558 34.558 38.303 -3.745 19637 2805 1 4 . 1 1 85 85 MET H H 85 9.823 9.823 9.015 0.808 19637 2806 1 4 . 1 1 86 86 ALA N N 86 123.689 123.689 123.807 -0.118 19637 2807 1 4 . 1 1 86 86 ALA C C 86 176.205 176.205 176.273 -0.068 19637 2808 1 4 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.373 -0.568 19637 2809 1 4 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.136 -2.185 19637 2810 1 4 . 1 1 86 86 ALA H H 86 9.080 9.080 8.645 0.435 19637 2811 1 4 . 1 1 87 87 GLN N N 87 116.548 116.548 124.984 -8.436 19637 2812 1 4 . 1 1 87 87 GLN C C 87 175.495 175.495 174.843 0.652 19637 2813 1 4 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.096 -0.738 19637 2814 1 4 . 1 1 87 87 GLN CB C 87 34.292 34.292 31.003 3.289 19637 2815 1 4 . 1 1 87 87 GLN H H 87 9.061 9.061 8.703 0.358 19637 2816 1 4 . 1 1 88 88 TRP N N 88 119.609 119.609 125.981 -6.372 19637 2817 1 4 . 1 1 88 88 TRP C C 88 174.727 174.727 173.798 0.929 19637 2818 1 4 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.376 -1.422 19637 2819 1 4 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.626 -3.147 19637 2820 1 4 . 1 1 88 88 TRP H H 88 8.893 8.893 9.189 -0.296 19637 2821 1 4 . 1 1 89 89 TYR N N 89 124.849 124.849 126.999 -2.150 19637 2822 1 4 . 1 1 89 89 TYR C C 89 176.382 176.382 174.857 1.525 19637 2823 1 4 . 1 1 89 89 TYR CA C 89 55.042 55.042 57.958 -2.916 19637 2824 1 4 . 1 1 89 89 TYR H H 89 8.815 8.815 7.891 0.924 19637 2825 1 4 . 1 1 90 90 PHE N N 90 122.137 122.137 127.284 -5.147 19637 2826 1 4 . 1 1 90 90 PHE C C 90 176.304 176.304 175.654 0.650 19637 2827 1 4 . 1 1 90 90 PHE CA C 90 57.821 57.821 61.019 -3.198 19637 2828 1 4 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.699 -1.239 19637 2829 1 4 . 1 1 90 90 PHE H H 90 9.171 9.171 8.151 1.020 19637 2830 1 4 . 1 1 91 91 GLY N N 91 108.961 108.961 104.363 4.598 19637 2831 1 4 . 1 1 91 91 GLY C C 91 172.748 172.748 173.280 -0.532 19637 2832 1 4 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.732 -0.401 19637 2833 1 4 . 1 1 91 91 GLY H H 91 9.342 9.342 7.946 1.396 19637 2834 1 4 . 1 1 92 92 ASP N N 92 119.869 119.869 119.758 0.111 19637 2835 1 4 . 1 1 92 92 ASP C C 92 175.968 175.968 174.815 1.153 19637 2836 1 4 . 1 1 92 92 ASP CA C 92 51.622 51.622 55.172 -3.550 19637 2837 1 4 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.087 0.476 19637 2838 1 4 . 1 1 92 92 ASP H H 92 8.612 8.612 8.162 0.450 19637 2839 1 4 . 1 1 93 93 ALA N N 93 117.665 117.665 124.641 -6.976 19637 2840 1 4 . 1 1 93 93 ALA C C 93 178.748 178.748 176.342 2.406 19637 2841 1 4 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.874 1.306 19637 2842 1 4 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.199 -2.288 19637 2843 1 4 . 1 1 93 93 ALA H H 93 8.673 8.673 8.411 0.262 19637 2844 1 4 . 1 1 94 94 SER N N 94 115.062 115.062 115.433 -0.371 19637 2845 1 4 . 1 1 94 94 SER C C 94 175.348 175.348 173.499 1.849 19637 2846 1 4 . 1 1 94 94 SER CA C 94 58.185 58.185 59.221 -1.036 19637 2847 1 4 . 1 1 94 94 SER CB C 94 62.757 62.757 61.730 1.027 19637 2848 1 4 . 1 1 94 94 SER H H 94 8.902 8.902 8.633 0.269 19637 2849 1 4 . 1 1 95 95 SER N N 95 120.754 120.754 116.861 3.893 19637 2850 1 4 . 1 1 95 95 SER CA C 95 58.451 58.451 57.051 1.400 19637 2851 1 4 . 1 1 95 95 SER CB C 95 62.580 62.580 65.997 -3.417 19637 2852 1 4 . 1 1 95 95 SER H H 95 7.922 7.922 7.970 -0.048 19637 2853 1 4 . 1 1 96 96 LYS N N 96 120.924 120.924 121.723 -0.799 19637 2854 1 4 . 1 1 96 96 LYS CA C 96 54.599 54.599 57.743 -3.144 19637 2855 1 4 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.786 -1.420 19637 2856 1 4 . 1 1 96 96 LYS H H 96 8.555 8.555 8.740 -0.185 19637 2857 1 4 . 1 1 97 97 PHE N N 97 117.773 117.773 116.617 1.156 19637 2858 1 4 . 1 1 97 97 PHE CA C 97 54.688 54.688 58.070 -3.382 19637 2859 1 4 . 1 1 97 97 PHE CB C 97 40.322 40.322 39.625 0.697 19637 2860 1 4 . 1 1 97 97 PHE H H 97 7.596 7.596 7.623 -0.027 19637 2861 1 4 . 1 1 98 98 ARG N N 98 120.982 120.982 123.971 -2.989 19637 2862 1 4 . 1 1 98 98 ARG C C 98 173.047 173.047 174.208 -1.161 19637 2863 1 4 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.445 0.026 19637 2864 1 4 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.644 -0.012 19637 2865 1 4 . 1 1 98 98 ARG H H 98 8.823 8.823 8.457 0.366 19637 2866 1 4 . 1 1 100 100 TYR N N 100 117.775 117.775 114.627 3.148 19637 2867 1 4 . 1 1 100 100 TYR C C 100 173.047 173.047 174.971 -1.924 19637 2868 1 4 . 1 1 100 100 TYR CA C 100 54.954 54.954 58.111 -3.156 19637 2869 1 4 . 1 1 100 100 TYR CB C 100 39.524 39.524 41.276 -1.752 19637 2870 1 4 . 1 1 100 100 TYR H H 100 8.885 8.885 8.473 0.412 19637 2871 1 4 . 1 1 101 101 VAL N N 101 111.744 111.744 126.339 -14.595 19637 2872 1 4 . 1 1 101 101 VAL C C 101 173.457 173.457 175.937 -2.480 19637 2873 1 4 . 1 1 101 101 VAL CA C 101 57.105 57.105 61.851 -4.746 19637 2874 1 4 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.515 2.866 19637 2875 1 4 . 1 1 101 101 VAL H H 101 8.365 8.365 8.917 -0.552 19637 2876 1 4 . 1 1 102 102 GLY N N 102 108.300 108.300 115.950 -7.650 19637 2877 1 4 . 1 1 102 102 GLY C C 102 171.241 171.241 172.032 -0.791 19637 2878 1 4 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.624 1.348 19637 2879 1 4 . 1 1 102 102 GLY H H 102 8.271 8.271 9.164 -0.893 19637 2880 1 4 . 1 1 103 103 ALA N N 103 120.836 120.836 125.349 -4.513 19637 2881 1 4 . 1 1 103 103 ALA C C 103 175.614 175.614 175.839 -0.225 19637 2882 1 4 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.633 -1.800 19637 2883 1 4 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.213 0.505 19637 2884 1 4 . 1 1 103 103 ALA H H 103 9.048 9.048 8.300 0.748 19637 2885 1 4 . 1 1 104 104 GLY N N 104 107.477 107.477 110.773 -3.296 19637 2886 1 4 . 1 1 104 104 GLY C C 104 171.832 171.832 172.535 -0.703 19637 2887 1 4 . 1 1 104 104 GLY CA C 104 46.479 46.479 46.128 0.351 19637 2888 1 4 . 1 1 104 104 GLY H H 104 8.661 8.661 8.289 0.372 19637 2889 1 4 . 1 1 105 105 ILE N N 105 118.575 118.575 120.231 -1.656 19637 2890 1 4 . 1 1 105 105 ILE C C 105 172.275 172.275 173.789 -1.514 19637 2891 1 4 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.584 -3.236 19637 2892 1 4 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.572 1.081 19637 2893 1 4 . 1 1 105 105 ILE H H 105 9.020 9.020 8.645 0.375 19637 2894 1 4 . 1 1 106 106 ASN N N 106 123.879 123.879 125.625 -1.746 19637 2895 1 4 . 1 1 106 106 ASN C C 106 171.418 171.418 173.430 -2.012 19637 2896 1 4 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.013 -0.429 19637 2897 1 4 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.282 0.572 19637 2898 1 4 . 1 1 106 106 ASN H H 106 9.659 9.659 8.346 1.313 19637 2899 1 4 . 1 1 107 107 TYR N N 107 125.744 125.744 126.793 -1.049 19637 2900 1 4 . 1 1 107 107 TYR C C 107 173.073 173.073 175.690 -2.617 19637 2901 1 4 . 1 1 107 107 TYR CA C 107 54.504 54.504 56.680 -2.176 19637 2902 1 4 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.422 1.432 19637 2903 1 4 . 1 1 107 107 TYR H H 107 8.273 8.273 8.438 -0.165 19637 2904 1 4 . 1 1 108 108 THR N N 108 119.337 119.337 120.910 -1.573 19637 2905 1 4 . 1 1 108 108 THR C C 108 172.457 172.457 174.078 -1.621 19637 2906 1 4 . 1 1 108 108 THR CA C 108 60.452 60.452 60.607 -0.155 19637 2907 1 4 . 1 1 108 108 THR CB C 108 69.319 69.319 71.511 -2.192 19637 2908 1 4 . 1 1 108 108 THR H H 108 8.446 8.446 8.830 -0.384 19637 2909 1 4 . 1 1 109 109 THR N N 109 118.655 118.655 116.608 2.047 19637 2910 1 4 . 1 1 109 109 THR C C 109 171.625 171.625 173.516 -1.891 19637 2911 1 4 . 1 1 109 109 THR CA C 109 56.810 56.810 61.631 -4.821 19637 2912 1 4 . 1 1 109 109 THR H H 109 7.548 7.548 8.402 -0.854 19637 2913 1 4 . 1 1 112 112 ASP N N 112 116.796 116.796 124.259 -7.463 19637 2914 1 4 . 1 1 112 112 ASP C C 112 175.490 175.490 176.207 -0.717 19637 2915 1 4 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.941 -0.057 19637 2916 1 4 . 1 1 112 112 ASP CB C 112 37.662 37.662 43.110 -5.448 19637 2917 1 4 . 1 1 112 112 ASP H H 112 8.995 8.995 8.431 0.564 19637 2918 1 4 . 1 1 113 113 ASN N N 113 117.801 117.801 120.246 -2.445 19637 2919 1 4 . 1 1 113 113 ASN C C 113 175.702 175.702 173.699 2.003 19637 2920 1 4 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.956 -3.220 19637 2921 1 4 . 1 1 113 113 ASN CB C 113 39.348 39.348 37.773 1.575 19637 2922 1 4 . 1 1 113 113 ASN H H 113 8.410 8.410 8.037 0.373 19637 2923 1 4 . 1 1 114 114 GLY N N 114 107.744 107.744 109.332 -1.588 19637 2924 1 4 . 1 1 114 114 GLY C C 114 171.979 171.979 173.186 -1.207 19637 2925 1 4 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.219 0.575 19637 2926 1 4 . 1 1 114 114 GLY H H 114 8.557 8.557 8.233 0.324 19637 2927 1 4 . 1 1 115 115 PHE N N 115 119.554 119.554 117.837 1.717 19637 2928 1 4 . 1 1 115 115 PHE C C 115 176.192 176.192 174.094 2.098 19637 2929 1 4 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.538 -1.048 19637 2930 1 4 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.384 0.697 19637 2931 1 4 . 1 1 115 115 PHE H H 115 8.607 8.607 8.280 0.327 19637 2932 1 4 . 1 1 116 116 ASN N N 116 120.356 120.356 116.509 3.847 19637 2933 1 4 . 1 1 116 116 ASN C C 116 175.407 175.407 175.019 0.388 19637 2934 1 4 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.333 -2.261 19637 2935 1 4 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.855 -3.814 19637 2936 1 4 . 1 1 116 116 ASN H H 116 8.240 8.240 8.443 -0.203 19637 2937 1 4 . 1 1 117 117 ASP N N 117 117.610 117.610 119.829 -2.219 19637 2938 1 4 . 1 1 117 117 ASP C C 117 178.298 178.298 177.902 0.396 19637 2939 1 4 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.121 -0.773 19637 2940 1 4 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.344 -1.796 19637 2941 1 4 . 1 1 117 117 ASP H H 117 8.460 8.460 8.793 -0.333 19637 2942 1 4 . 1 1 118 118 HIS N N 118 118.493 118.493 119.084 -0.591 19637 2943 1 4 . 1 1 118 118 HIS C C 118 177.821 177.821 177.113 0.708 19637 2944 1 4 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.941 -2.175 19637 2945 1 4 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.926 -3.199 19637 2946 1 4 . 1 1 118 118 HIS H H 118 8.185 8.185 8.560 -0.375 19637 2947 1 4 . 1 1 119 119 GLY N N 119 107.937 107.937 106.479 1.458 19637 2948 1 4 . 1 1 119 119 GLY C C 119 175.082 175.082 176.132 -1.050 19637 2949 1 4 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.857 -0.245 19637 2950 1 4 . 1 1 119 119 GLY H H 119 8.788 8.788 8.505 0.283 19637 2951 1 4 . 1 1 120 120 LYS N N 120 122.898 122.898 122.782 0.116 19637 2952 1 4 . 1 1 120 120 LYS C C 120 181.612 181.612 179.636 1.976 19637 2953 1 4 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.556 -0.839 19637 2954 1 4 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.460 -1.804 19637 2955 1 4 . 1 1 120 120 LYS H H 120 8.890 8.890 8.447 0.443 19637 2956 1 4 . 1 1 121 121 GLU N N 121 120.995 120.995 118.044 2.951 19637 2957 1 4 . 1 1 121 121 GLU C C 121 177.327 177.327 176.953 0.374 19637 2958 1 4 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.457 -0.804 19637 2959 1 4 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.290 -1.560 19637 2960 1 4 . 1 1 121 121 GLU H H 121 8.234 8.234 7.823 0.411 19637 2961 1 4 . 1 1 122 122 ALA N N 122 119.811 119.811 119.408 0.403 19637 2962 1 4 . 1 1 122 122 ALA C C 122 176.500 176.500 177.834 -1.334 19637 2963 1 4 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.145 -0.103 19637 2964 1 4 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.380 -2.670 19637 2965 1 4 . 1 1 122 122 ALA H H 122 7.259 7.259 7.325 -0.066 19637 2966 1 4 . 1 1 123 123 GLY N N 123 103.863 103.863 107.692 -3.829 19637 2967 1 4 . 1 1 123 123 GLY C C 123 175.082 175.082 174.396 0.686 19637 2968 1 4 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.129 -1.865 19637 2969 1 4 . 1 1 123 123 GLY H H 123 7.745 7.745 7.836 -0.091 19637 2970 1 4 . 1 1 124 124 LEU N N 124 123.722 123.722 119.629 4.093 19637 2971 1 4 . 1 1 124 124 LEU C C 124 176.293 176.293 176.838 -0.545 19637 2972 1 4 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.531 -0.262 19637 2973 1 4 . 1 1 124 124 LEU CB C 124 38.016 38.016 44.318 -6.302 19637 2974 1 4 . 1 1 124 124 LEU H H 124 7.461 7.461 8.084 -0.623 19637 2975 1 4 . 1 1 125 125 SER N N 125 114.112 114.112 113.263 0.849 19637 2976 1 4 . 1 1 125 125 SER C C 125 173.250 173.250 173.247 0.003 19637 2977 1 4 . 1 1 125 125 SER CA C 125 57.259 57.259 59.465 -2.207 19637 2978 1 4 . 1 1 125 125 SER CB C 125 65.684 65.684 63.332 2.352 19637 2979 1 4 . 1 1 125 125 SER H H 125 8.809 8.809 8.587 0.222 19637 2980 1 4 . 1 1 126 126 ASP N N 126 117.817 117.817 118.013 -0.196 19637 2981 1 4 . 1 1 126 126 ASP C C 126 174.107 174.107 176.347 -2.240 19637 2982 1 4 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.799 -0.206 19637 2983 1 4 . 1 1 126 126 ASP CB C 126 38.726 38.726 39.630 -0.904 19637 2984 1 4 . 1 1 126 126 ASP H H 126 9.035 9.035 8.514 0.521 19637 2985 1 4 . 1 1 127 127 LEU N N 127 120.160 120.160 119.476 0.684 19637 2986 1 4 . 1 1 127 127 LEU C C 127 176.726 176.726 176.811 -0.085 19637 2987 1 4 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.017 -2.646 19637 2988 1 4 . 1 1 127 127 LEU CB C 127 40.322 40.322 42.374 -2.052 19637 2989 1 4 . 1 1 127 127 LEU H H 127 8.109 8.109 8.067 0.042 19637 2990 1 4 . 1 1 128 128 SER N N 128 120.909 120.909 109.678 11.231 19637 2991 1 4 . 1 1 128 128 SER C C 128 172.038 172.038 172.044 -0.006 19637 2992 1 4 . 1 1 128 128 SER CA C 128 57.120 57.120 58.131 -1.011 19637 2993 1 4 . 1 1 128 128 SER CB C 128 64.353 64.353 63.832 0.521 19637 2994 1 4 . 1 1 128 128 SER H H 128 9.499 9.499 8.080 1.419 19637 2995 1 4 . 1 1 129 129 LEU N N 129 122.260 122.260 117.155 5.105 19637 2996 1 4 . 1 1 129 129 LEU C C 129 176.411 176.411 175.472 0.939 19637 2997 1 4 . 1 1 129 129 LEU CA C 129 53.839 53.839 54.937 -1.098 19637 2998 1 4 . 1 1 129 129 LEU CB C 129 42.539 42.539 44.510 -1.971 19637 2999 1 4 . 1 1 129 129 LEU H H 129 8.182 8.182 8.145 0.037 19637 3000 1 4 . 1 1 130 130 LYS N N 130 122.490 122.490 124.842 -2.352 19637 3001 1 4 . 1 1 130 130 LYS C C 130 176.754 176.754 176.523 0.231 19637 3002 1 4 . 1 1 130 130 LYS CA C 130 55.042 55.042 56.962 -1.920 19637 3003 1 4 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.605 -1.087 19637 3004 1 4 . 1 1 130 130 LYS H H 130 7.536 7.536 8.391 -0.855 19637 3005 1 4 . 1 1 131 131 ASP N N 131 123.217 123.217 121.577 1.640 19637 3006 1 4 . 1 1 131 131 ASP C C 131 175.998 175.998 176.620 -0.622 19637 3007 1 4 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.693 -0.233 19637 3008 1 4 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.495 -1.262 19637 3009 1 4 . 1 1 131 131 ASP H H 131 8.782 8.782 8.443 0.339 19637 3010 1 4 . 1 1 132 132 SER N N 132 115.445 115.445 115.438 0.007 19637 3011 1 4 . 1 1 132 132 SER C C 132 171.920 171.920 174.010 -2.090 19637 3012 1 4 . 1 1 132 132 SER CA C 132 55.790 55.790 58.764 -2.974 19637 3013 1 4 . 1 1 132 132 SER CB C 132 64.087 64.087 62.950 1.137 19637 3014 1 4 . 1 1 132 132 SER H H 132 9.016 9.016 8.346 0.670 19637 3015 1 4 . 1 1 133 133 TRP N N 133 124.389 124.389 126.961 -2.572 19637 3016 1 4 . 1 1 133 133 TRP C C 133 178.243 178.243 174.676 3.567 19637 3017 1 4 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.831 0.478 19637 3018 1 4 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.116 1.285 19637 3019 1 4 . 1 1 133 133 TRP H H 133 7.896 7.896 7.697 0.199 19637 3020 1 4 . 1 1 134 134 GLY N N 134 107.658 107.658 108.984 -1.326 19637 3021 1 4 . 1 1 134 134 GLY C C 134 171.123 171.123 172.158 -1.035 19637 3022 1 4 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.410 0.340 19637 3023 1 4 . 1 1 134 134 GLY H H 134 8.896 8.896 8.555 0.341 19637 3024 1 4 . 1 1 135 135 ALA N N 135 122.244 122.244 120.859 1.385 19637 3025 1 4 . 1 1 135 135 ALA C C 135 174.875 174.875 175.421 -0.546 19637 3026 1 4 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.823 0.318 19637 3027 1 4 . 1 1 135 135 ALA CB C 135 19.306 19.306 22.354 -3.048 19637 3028 1 4 . 1 1 135 135 ALA H H 135 8.946 8.946 8.397 0.549 19637 3029 1 4 . 1 1 136 136 ALA N N 136 118.579 118.579 122.337 -3.758 19637 3030 1 4 . 1 1 136 136 ALA C C 136 175.434 175.434 176.675 -1.241 19637 3031 1 4 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.694 -1.200 19637 3032 1 4 . 1 1 136 136 ALA CB C 136 23.207 23.207 20.938 2.269 19637 3033 1 4 . 1 1 136 136 ALA H H 136 8.111 8.111 8.304 -0.193 19637 3034 1 4 . 1 1 137 137 GLY N N 137 105.005 105.005 109.181 -4.176 19637 3035 1 4 . 1 1 137 137 GLY C C 137 171.300 171.300 173.309 -2.009 19637 3036 1 4 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.395 -2.213 19637 3037 1 4 . 1 1 137 137 GLY H H 137 8.933 8.933 8.261 0.672 19637 3038 1 4 . 1 1 138 138 GLN N N 138 115.695 115.695 119.043 -3.348 19637 3039 1 4 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.897 -1.634 19637 3040 1 4 . 1 1 138 138 GLN H H 138 8.559 8.559 8.479 0.080 19637 3041 1 4 . 1 1 140 140 GLY N N 140 110.307 110.307 116.793 -6.486 19637 3042 1 4 . 1 1 140 140 GLY C C 140 171.329 171.329 172.428 -1.099 19637 3043 1 4 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.639 0.978 19637 3044 1 4 . 1 1 140 140 GLY H H 140 7.936 7.936 8.766 -0.830 19637 3045 1 4 . 1 1 141 141 VAL N N 141 112.233 112.233 114.555 -2.322 19637 3046 1 4 . 1 1 141 141 VAL C C 141 171.979 171.979 173.817 -1.838 19637 3047 1 4 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.665 0.249 19637 3048 1 4 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.820 -0.883 19637 3049 1 4 . 1 1 141 141 VAL H H 141 8.646 8.646 8.507 0.139 19637 3050 1 4 . 1 1 142 142 ASP N N 142 122.520 122.520 125.141 -2.621 19637 3051 1 4 . 1 1 142 142 ASP C C 142 175.259 175.259 174.402 0.857 19637 3052 1 4 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.154 -1.444 19637 3053 1 4 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.121 -1.341 19637 3054 1 4 . 1 1 142 142 ASP H H 142 7.402 7.402 8.370 -0.968 19637 3055 1 4 . 1 1 143 143 TYR N N 143 122.331 122.331 125.399 -3.068 19637 3056 1 4 . 1 1 143 143 TYR C C 143 173.870 173.870 174.644 -0.774 19637 3057 1 4 . 1 1 143 143 TYR CA C 143 54.948 54.948 58.652 -3.704 19637 3058 1 4 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.115 0.650 19637 3059 1 4 . 1 1 143 143 TYR H H 143 9.396 9.396 9.038 0.358 19637 3060 1 4 . 1 1 144 144 LEU N N 144 130.341 130.341 127.217 3.124 19637 3061 1 4 . 1 1 144 144 LEU C C 144 174.786 174.786 176.944 -2.158 19637 3062 1 4 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.316 1.208 19637 3063 1 4 . 1 1 144 144 LEU CB C 144 40.677 40.677 43.006 -2.329 19637 3064 1 4 . 1 1 144 144 LEU H H 144 8.313 8.313 8.582 -0.269 19637 3065 1 4 . 1 1 145 145 ILE N N 145 124.602 124.602 117.137 7.465 19637 3066 1 4 . 1 1 145 145 ILE C C 145 177.593 177.593 174.951 2.642 19637 3067 1 4 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.983 -1.886 19637 3068 1 4 . 1 1 145 145 ILE CB C 145 36.864 36.864 35.457 1.407 19637 3069 1 4 . 1 1 145 145 ILE H H 145 8.809 8.809 8.664 0.145 19637 3070 1 4 . 1 1 146 146 ASN N N 146 118.348 118.348 121.089 -2.741 19637 3071 1 4 . 1 1 146 146 ASN CA C 146 51.318 51.318 54.701 -3.383 19637 3072 1 4 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.359 -2.407 19637 3073 1 4 . 1 1 146 146 ASN H H 146 8.362 8.362 8.721 -0.359 19637 3074 1 4 . 1 1 147 147 ARG N N 147 113.940 113.940 116.850 -2.910 19637 3075 1 4 . 1 1 147 147 ARG C C 147 176.470 176.470 175.025 1.445 19637 3076 1 4 . 1 1 147 147 ARG CA C 147 58.584 58.584 56.993 1.591 19637 3077 1 4 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.682 -1.977 19637 3078 1 4 . 1 1 147 147 ARG H H 147 8.072 8.072 7.755 0.317 19637 3079 1 4 . 1 1 148 148 ASP N N 148 112.938 112.938 118.299 -5.361 19637 3080 1 4 . 1 1 148 148 ASP C C 148 174.373 174.373 174.655 -0.282 19637 3081 1 4 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.239 0.088 19637 3082 1 4 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.302 0.326 19637 3083 1 4 . 1 1 148 148 ASP H H 148 7.668 7.668 8.040 -0.372 19637 3084 1 4 . 1 1 149 149 TRP N N 149 116.148 116.148 117.482 -1.334 19637 3085 1 4 . 1 1 149 149 TRP C C 149 175.574 175.574 174.161 1.413 19637 3086 1 4 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.738 -0.252 19637 3087 1 4 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.479 2.241 19637 3088 1 4 . 1 1 149 149 TRP H H 149 7.788 7.788 7.392 0.396 19637 3089 1 4 . 1 1 150 150 LEU N N 150 118.106 118.106 120.086 -1.980 19637 3090 1 4 . 1 1 150 150 LEU C C 150 175.141 175.141 176.438 -1.297 19637 3091 1 4 . 1 1 150 150 LEU CA C 150 52.155 52.155 54.833 -2.678 19637 3092 1 4 . 1 1 150 150 LEU CB C 150 44.401 44.401 43.809 0.592 19637 3093 1 4 . 1 1 150 150 LEU H H 150 9.306 9.306 8.816 0.490 19637 3094 1 4 . 1 1 151 151 VAL N N 151 115.211 115.211 119.136 -3.925 19637 3095 1 4 . 1 1 151 151 VAL C C 151 173.524 173.524 173.347 0.177 19637 3096 1 4 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.264 -1.965 19637 3097 1 4 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.301 -1.452 19637 3098 1 4 . 1 1 151 151 VAL H H 151 9.293 9.293 8.721 0.572 19637 3099 1 4 . 1 1 152 152 ASN N N 152 124.526 124.526 127.063 -2.537 19637 3100 1 4 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.528 -0.773 19637 3101 1 4 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.512 0.116 19637 3102 1 4 . 1 1 152 152 ASN H H 152 8.893 8.893 9.023 -0.130 19637 3103 1 4 . 1 1 153 153 MET N N 153 118.533 118.533 124.907 -6.374 19637 3104 1 4 . 1 1 153 153 MET C C 153 173.987 173.987 173.745 0.242 19637 3105 1 4 . 1 1 153 153 MET CA C 153 54.017 54.017 54.928 -0.911 19637 3106 1 4 . 1 1 153 153 MET CB C 153 36.243 36.243 36.956 -0.713 19637 3107 1 4 . 1 1 153 153 MET H H 153 8.003 8.003 9.113 -1.110 19637 3108 1 4 . 1 1 154 154 SER N N 154 113.225 113.225 120.507 -7.282 19637 3109 1 4 . 1 1 154 154 SER C C 154 172.120 172.120 172.519 -0.399 19637 3110 1 4 . 1 1 154 154 SER CA C 154 56.550 56.550 57.306 -0.756 19637 3111 1 4 . 1 1 154 154 SER CB C 154 64.619 64.619 66.811 -2.192 19637 3112 1 4 . 1 1 154 154 SER H H 154 9.191 9.191 9.047 0.144 19637 3113 1 4 . 1 1 155 155 VAL N N 155 119.543 119.543 120.131 -0.588 19637 3114 1 4 . 1 1 155 155 VAL C C 155 173.973 173.973 174.098 -0.125 19637 3115 1 4 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.864 -1.482 19637 3116 1 4 . 1 1 155 155 VAL H H 155 9.190 9.190 8.449 0.741 19637 3117 1 4 . 1 1 156 156 TRP N N 156 124.596 124.596 129.418 -4.822 19637 3118 1 4 . 1 1 156 156 TRP C C 156 175.237 175.237 173.616 1.621 19637 3119 1 4 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.999 -3.736 19637 3120 1 4 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.644 0.584 19637 3121 1 4 . 1 1 156 156 TRP H H 156 9.883 9.883 8.449 1.434 19637 3122 1 4 . 1 1 160 160 ILE N N 160 123.211 123.211 119.325 3.886 19637 3123 1 4 . 1 1 160 160 ILE C C 160 173.545 173.545 174.302 -0.757 19637 3124 1 4 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.548 0.721 19637 3125 1 4 . 1 1 160 160 ILE H H 160 7.948 7.948 8.144 -0.196 19637 3126 1 4 . 1 1 161 161 ASP N N 161 128.357 128.357 124.301 4.056 19637 3127 1 4 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.762 -1.341 19637 3128 1 4 . 1 1 161 161 ASP CB C 161 41.830 41.830 42.667 -0.837 19637 3129 1 4 . 1 1 161 161 ASP H H 161 8.302 8.302 8.459 -0.157 19637 3130 1 4 . 1 1 162 162 THR N N 162 117.472 117.472 119.284 -1.812 19637 3131 1 4 . 1 1 162 162 THR CA C 162 57.259 57.259 60.623 -3.364 19637 3132 1 4 . 1 1 162 162 THR CB C 162 68.167 68.167 71.049 -2.882 19637 3133 1 4 . 1 1 162 162 THR H H 162 8.788 8.788 8.077 0.711 19637 3134 1 4 . 1 1 163 163 THR N N 163 120.189 120.189 123.270 -3.081 19637 3135 1 4 . 1 1 163 163 THR CA C 163 60.629 60.629 61.846 -1.217 19637 3136 1 4 . 1 1 163 163 THR CB C 163 68.278 68.278 68.950 -0.672 19637 3137 1 4 . 1 1 163 163 THR H H 163 8.429 8.429 8.788 -0.359 19637 3138 1 4 . 1 1 164 164 ALA N N 164 127.991 127.991 130.660 -2.669 19637 3139 1 4 . 1 1 164 164 ALA C C 164 174.993 174.993 175.714 -0.721 19637 3140 1 4 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.802 -1.612 19637 3141 1 4 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.358 -3.407 19637 3142 1 4 . 1 1 164 164 ALA H H 164 9.428 9.428 8.833 0.595 19637 3143 1 4 . 1 1 165 165 ASN N N 165 122.214 122.214 121.512 0.702 19637 3144 1 4 . 1 1 165 165 ASN C C 165 173.047 173.047 172.570 0.477 19637 3145 1 4 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.645 -2.504 19637 3146 1 4 . 1 1 165 165 ASN CB C 165 40.056 40.056 42.446 -2.389 19637 3147 1 4 . 1 1 165 165 ASN H H 165 9.216 9.216 8.865 0.351 19637 3148 1 4 . 1 1 166 166 TYR N N 166 116.330 116.330 117.724 -1.394 19637 3149 1 4 . 1 1 166 166 TYR C C 166 172.260 172.260 173.429 -1.169 19637 3150 1 4 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.839 -0.442 19637 3151 1 4 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.358 -2.696 19637 3152 1 4 . 1 1 166 166 TYR H H 166 7.816 7.816 7.798 0.018 19637 3153 1 4 . 1 1 167 167 LYS N N 167 117.734 117.734 120.202 -2.468 19637 3154 1 4 . 1 1 167 167 LYS C C 167 174.760 174.760 174.849 -0.089 19637 3155 1 4 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.988 -1.237 19637 3156 1 4 . 1 1 167 167 LYS CB C 167 34.381 34.381 34.277 0.104 19637 3157 1 4 . 1 1 167 167 LYS H H 167 9.100 9.100 8.557 0.543 19637 3158 1 4 . 1 1 168 168 LEU N N 168 121.623 121.623 127.798 -6.175 19637 3159 1 4 . 1 1 168 168 LEU C C 168 177.877 177.877 176.954 0.923 19637 3160 1 4 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.882 -2.373 19637 3161 1 4 . 1 1 168 168 LEU CB C 168 42.894 42.894 41.895 0.999 19637 3162 1 4 . 1 1 168 168 LEU H H 168 8.372 8.372 8.913 -0.541 19637 3163 1 4 . 1 1 169 169 GLY N N 169 119.264 119.264 112.666 6.598 19637 3164 1 4 . 1 1 169 169 GLY C C 169 175.602 175.602 174.856 0.746 19637 3165 1 4 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.556 1.701 19637 3166 1 4 . 1 1 169 169 GLY H H 169 9.603 9.603 8.491 1.112 19637 3167 1 4 . 1 1 170 170 GLY N N 170 104.659 104.659 107.113 -2.454 19637 3168 1 4 . 1 1 170 170 GLY C C 170 172.570 172.570 173.330 -0.760 19637 3169 1 4 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.901 -0.861 19637 3170 1 4 . 1 1 170 170 GLY H H 170 8.381 8.381 8.035 0.346 19637 3171 1 4 . 1 1 171 171 ALA N N 171 123.570 123.570 122.571 0.999 19637 3172 1 4 . 1 1 171 171 ALA C C 171 177.569 177.569 176.400 1.169 19637 3173 1 4 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.597 -1.704 19637 3174 1 4 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.954 -1.624 19637 3175 1 4 . 1 1 171 171 ALA H H 171 7.650 7.650 7.876 -0.226 19637 3176 1 4 . 1 1 172 172 GLN N N 172 124.057 124.057 124.873 -0.816 19637 3177 1 4 . 1 1 172 172 GLN C C 172 174.869 174.869 175.999 -1.130 19637 3178 1 4 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.557 0.461 19637 3179 1 4 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.485 0.688 19637 3180 1 4 . 1 1 172 172 GLN H H 172 8.840 8.840 8.706 0.134 19637 3181 1 4 . 1 1 173 173 GLN N N 173 124.328 124.328 125.461 -1.133 19637 3182 1 4 . 1 1 173 173 GLN C C 173 174.953 174.953 175.267 -0.314 19637 3183 1 4 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.607 -3.452 19637 3184 1 4 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.529 -1.114 19637 3185 1 4 . 1 1 173 173 GLN H H 173 9.023 9.023 7.900 1.123 19637 3186 1 4 . 1 1 174 174 HIS N N 174 115.629 115.629 114.233 1.396 19637 3187 1 4 . 1 1 174 174 HIS C C 174 173.103 173.103 172.923 0.180 19637 3188 1 4 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.611 -1.165 19637 3189 1 4 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.979 -1.298 19637 3190 1 4 . 1 1 174 174 HIS H H 174 8.227 8.227 7.935 0.292 19637 3191 1 4 . 1 1 175 175 ASP N N 175 120.615 120.615 123.155 -2.540 19637 3192 1 4 . 1 1 175 175 ASP C C 175 175.013 175.013 175.567 -0.554 19637 3193 1 4 . 1 1 175 175 ASP CA C 175 52.731 52.731 52.688 0.043 19637 3194 1 4 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.154 1.957 19637 3195 1 4 . 1 1 175 175 ASP H H 175 8.964 8.964 8.253 0.711 19637 3196 1 4 . 1 1 176 176 SER N N 176 118.175 118.175 120.930 -2.755 19637 3197 1 4 . 1 1 176 176 SER C C 176 173.496 173.496 174.204 -0.708 19637 3198 1 4 . 1 1 176 176 SER CA C 176 57.697 57.697 57.954 -0.257 19637 3199 1 4 . 1 1 176 176 SER CB C 176 62.757 62.757 63.246 -0.489 19637 3200 1 4 . 1 1 176 176 SER H H 176 9.137 9.137 8.701 0.436 19637 3201 1 4 . 1 1 177 177 VAL N N 177 123.737 123.737 128.294 -4.557 19637 3202 1 4 . 1 1 177 177 VAL C C 177 173.398 173.398 174.923 -1.525 19637 3203 1 4 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.486 -1.209 19637 3204 1 4 . 1 1 177 177 VAL CB C 177 32.518 32.518 33.300 -0.782 19637 3205 1 4 . 1 1 177 177 VAL H H 177 8.492 8.492 8.682 -0.190 19637 3206 1 4 . 1 1 178 178 ARG N N 178 127.628 127.628 125.423 2.205 19637 3207 1 4 . 1 1 178 178 ARG C C 178 175.097 175.097 174.551 0.546 19637 3208 1 4 . 1 1 178 178 ARG CA C 178 54.017 54.017 53.896 0.121 19637 3209 1 4 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.744 -2.595 19637 3210 1 4 . 1 1 178 178 ARG H H 178 8.513 8.513 8.212 0.301 19637 3211 1 4 . 1 1 182 182 TRP N N 182 115.616 115.616 122.001 -6.385 19637 3212 1 4 . 1 1 182 182 TRP C C 182 176.613 176.613 174.653 1.960 19637 3213 1 4 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.702 -2.474 19637 3214 1 4 . 1 1 182 182 TRP CB C 182 31.809 31.809 27.868 3.941 19637 3215 1 4 . 1 1 182 182 TRP H H 182 7.491 7.491 8.454 -0.963 19637 3216 1 4 . 1 1 183 183 VAL N N 183 121.618 121.618 122.009 -0.391 19637 3217 1 4 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.237 -2.609 19637 3218 1 4 . 1 1 183 183 VAL CB C 183 32.696 32.696 33.378 -0.682 19637 3219 1 4 . 1 1 183 183 VAL H H 183 9.372 9.372 8.071 1.301 19637 3220 1 4 . 1 1 185 185 MET N N 185 129.032 129.032 125.062 3.970 19637 3221 1 4 . 1 1 185 185 MET C C 185 172.186 172.186 174.228 -2.042 19637 3222 1 4 . 1 1 185 185 MET CA C 185 53.091 53.091 54.770 -1.679 19637 3223 1 4 . 1 1 185 185 MET CB C 185 33.405 33.405 35.030 -1.625 19637 3224 1 4 . 1 1 185 185 MET H H 185 9.615 9.615 9.201 0.414 19637 3225 1 4 . 1 1 186 186 PHE N N 186 124.085 124.085 121.279 2.806 19637 3226 1 4 . 1 1 186 186 PHE C C 186 174.816 174.816 173.667 1.149 19637 3227 1 4 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.013 -0.882 19637 3228 1 4 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.078 -1.490 19637 3229 1 4 . 1 1 186 186 PHE H H 186 7.976 7.976 8.145 -0.169 19637 3230 1 4 . 1 1 187 187 SER N N 187 116.369 116.369 115.562 0.807 19637 3231 1 4 . 1 1 187 187 SER C C 187 171.305 171.305 172.161 -0.856 19637 3232 1 4 . 1 1 187 187 SER CA C 187 57.348 57.348 57.383 -0.035 19637 3233 1 4 . 1 1 187 187 SER CB C 187 66.127 66.127 65.676 0.451 19637 3234 1 4 . 1 1 187 187 SER H H 187 9.355 9.355 8.839 0.516 19637 3235 1 4 . 1 1 188 188 ALA N N 188 119.248 119.248 122.057 -2.809 19637 3236 1 4 . 1 1 188 188 ALA C C 188 175.996 175.996 176.588 -0.592 19637 3237 1 4 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.313 -2.228 19637 3238 1 4 . 1 1 188 188 ALA CB C 188 21.079 21.079 19.759 1.320 19637 3239 1 4 . 1 1 188 188 ALA H H 188 8.300 8.300 8.146 0.154 19637 3240 1 4 . 1 1 189 189 GLY N N 189 104.914 104.914 104.652 0.262 19637 3241 1 4 . 1 1 189 189 GLY C C 189 170.650 170.650 171.873 -1.223 19637 3242 1 4 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.499 -1.453 19637 3243 1 4 . 1 1 189 189 GLY H H 189 9.235 9.235 8.114 1.121 19637 3244 1 4 . 1 1 190 190 TYR N N 190 121.149 121.149 115.659 5.490 19637 3245 1 4 . 1 1 190 190 TYR C C 190 173.608 173.608 172.420 1.188 19637 3246 1 4 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.271 -0.140 19637 3247 1 4 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.405 0.957 19637 3248 1 4 . 1 1 190 190 TYR H H 190 8.865 8.865 8.464 0.401 19637 3249 1 4 . 1 1 191 191 ARG N N 191 125.697 125.697 120.286 5.411 19637 3250 1 4 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.858 -3.329 19637 3251 1 4 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.686 -0.739 19637 3252 1 4 . 1 1 191 191 ARG H H 191 7.469 7.469 8.261 -0.792 19637 3253 1 5 . 1 1 2 2 HIS N N 2 119.214 119.214 119.651 -0.437 19637 3254 1 5 . 1 1 2 2 HIS C C 2 171.081 171.081 174.049 -2.968 19637 3255 1 5 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.877 -3.590 19637 3256 1 5 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.417 -6.121 19637 3257 1 5 . 1 1 2 2 HIS H H 2 8.422 8.422 8.462 -0.040 19637 3258 1 5 . 1 1 3 3 GLU N N 3 113.500 113.500 121.385 -7.885 19637 3259 1 5 . 1 1 3 3 GLU C C 3 174.619 174.619 174.848 -0.229 19637 3260 1 5 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.047 -2.385 19637 3261 1 5 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.982 -2.567 19637 3262 1 5 . 1 1 3 3 GLU H H 3 6.642 6.642 7.886 -1.244 19637 3263 1 5 . 1 1 4 4 ALA N N 4 120.680 120.680 121.783 -1.103 19637 3264 1 5 . 1 1 4 4 ALA C C 4 178.439 178.439 178.357 0.082 19637 3265 1 5 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.777 -1.401 19637 3266 1 5 . 1 1 4 4 ALA CB C 4 17.443 17.443 19.073 -1.630 19637 3267 1 5 . 1 1 4 4 ALA H H 4 8.701 8.701 8.550 0.151 19637 3268 1 5 . 1 1 5 5 GLY N N 5 112.786 112.786 106.979 5.807 19637 3269 1 5 . 1 1 5 5 GLY C C 5 173.309 173.309 174.728 -1.419 19637 3270 1 5 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.399 -1.846 19637 3271 1 5 . 1 1 5 5 GLY H H 5 9.294 9.294 7.838 1.456 19637 3272 1 5 . 1 1 6 6 GLU N N 6 121.755 121.755 120.214 1.541 19637 3273 1 5 . 1 1 6 6 GLU C C 6 173.693 173.693 174.277 -0.584 19637 3274 1 5 . 1 1 6 6 GLU CA C 6 56.018 56.018 56.155 -0.137 19637 3275 1 5 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.628 0.560 19637 3276 1 5 . 1 1 6 6 GLU H H 6 7.955 7.955 7.603 0.352 19637 3277 1 5 . 1 1 7 7 PHE N N 7 124.802 124.802 121.796 3.006 19637 3278 1 5 . 1 1 7 7 PHE C C 7 174.039 174.039 173.445 0.594 19637 3279 1 5 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.954 -1.621 19637 3280 1 5 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.373 0.368 19637 3281 1 5 . 1 1 7 7 PHE H H 7 8.648 8.648 8.049 0.599 19637 3282 1 5 . 1 1 8 8 PHE N N 8 121.132 121.132 125.915 -4.783 19637 3283 1 5 . 1 1 8 8 PHE C C 8 171.861 171.861 174.198 -2.337 19637 3284 1 5 . 1 1 8 8 PHE CA C 8 54.549 54.549 55.965 -1.416 19637 3285 1 5 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.408 -2.731 19637 3286 1 5 . 1 1 8 8 PHE H H 8 8.574 8.574 9.191 -0.617 19637 3287 1 5 . 1 1 9 9 MET N N 9 120.391 120.391 115.338 5.053 19637 3288 1 5 . 1 1 9 9 MET C C 9 174.166 174.166 174.555 -0.389 19637 3289 1 5 . 1 1 9 9 MET CA C 9 52.199 52.199 55.167 -2.968 19637 3290 1 5 . 1 1 9 9 MET CB C 9 37.307 37.307 36.157 1.150 19637 3291 1 5 . 1 1 9 9 MET H H 9 8.541 8.541 9.132 -0.591 19637 3292 1 5 . 1 1 10 10 ARG N N 10 117.892 117.892 119.407 -1.515 19637 3293 1 5 . 1 1 10 10 ARG C C 10 175.289 175.289 173.905 1.384 19637 3294 1 5 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.490 -1.044 19637 3295 1 5 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.415 -4.049 19637 3296 1 5 . 1 1 10 10 ARG H H 10 8.357 8.357 8.901 -0.544 19637 3297 1 5 . 1 1 11 11 ALA N N 11 119.664 119.664 122.294 -2.630 19637 3298 1 5 . 1 1 11 11 ALA C C 11 176.057 176.057 176.431 -0.374 19637 3299 1 5 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.016 -1.384 19637 3300 1 5 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.925 1.593 19637 3301 1 5 . 1 1 11 11 ALA H H 11 9.154 9.154 8.566 0.588 19637 3302 1 5 . 1 1 12 12 GLY N N 12 106.262 106.262 110.039 -3.777 19637 3303 1 5 . 1 1 12 12 GLY C C 12 172.068 172.068 172.827 -0.759 19637 3304 1 5 . 1 1 12 12 GLY CA C 12 45.149 45.149 43.765 1.384 19637 3305 1 5 . 1 1 12 12 GLY H H 12 8.655 8.655 8.618 0.037 19637 3306 1 5 . 1 1 13 13 SER N N 13 116.893 116.893 116.132 0.761 19637 3307 1 5 . 1 1 13 13 SER C C 13 173.604 173.604 172.000 1.604 19637 3308 1 5 . 1 1 13 13 SER CA C 13 56.367 56.367 56.529 -0.162 19637 3309 1 5 . 1 1 13 13 SER CB C 13 64.087 64.087 65.546 -1.459 19637 3310 1 5 . 1 1 13 13 SER H H 13 8.644 8.644 7.918 0.726 19637 3311 1 5 . 1 1 14 14 ALA N N 14 125.234 125.234 123.513 1.721 19637 3312 1 5 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.597 -0.970 19637 3313 1 5 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.631 -1.302 19637 3314 1 5 . 1 1 14 14 ALA H H 14 9.120 9.120 8.422 0.698 19637 3315 1 5 . 1 1 15 15 THR N N 15 121.303 121.303 119.291 2.012 19637 3316 1 5 . 1 1 15 15 THR C C 15 175.230 175.230 174.560 0.670 19637 3317 1 5 . 1 1 15 15 THR CA C 15 60.895 60.895 61.319 -0.424 19637 3318 1 5 . 1 1 15 15 THR CB C 15 70.029 70.029 68.829 1.200 19637 3319 1 5 . 1 1 15 15 THR H H 15 9.351 9.351 7.193 2.158 19637 3320 1 5 . 1 1 16 16 VAL N N 16 126.781 126.781 128.221 -1.440 19637 3321 1 5 . 1 1 16 16 VAL C C 16 174.432 174.432 175.552 -1.120 19637 3322 1 5 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.654 -0.848 19637 3323 1 5 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.770 -1.848 19637 3324 1 5 . 1 1 16 16 VAL H H 16 9.110 9.110 8.572 0.538 19637 3325 1 5 . 1 1 17 17 ARG N N 17 129.806 129.806 129.967 -0.161 19637 3326 1 5 . 1 1 17 17 ARG C C 17 173.440 173.440 173.895 -0.455 19637 3327 1 5 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.148 -0.740 19637 3328 1 5 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.585 -0.283 19637 3329 1 5 . 1 1 17 17 ARG H H 17 9.325 9.325 8.192 1.133 19637 3330 1 5 . 1 1 19 19 THR N N 19 114.402 114.402 117.042 -2.640 19637 3331 1 5 . 1 1 19 19 THR CA C 19 61.022 61.022 61.013 0.009 19637 3332 1 5 . 1 1 19 19 THR CB C 19 69.142 69.142 70.079 -0.937 19637 3333 1 5 . 1 1 19 19 THR H H 19 8.021 8.021 8.012 0.009 19637 3334 1 5 . 1 1 20 20 GLU N N 20 123.598 123.598 120.873 2.725 19637 3335 1 5 . 1 1 20 20 GLU C C 20 177.007 177.007 176.742 0.265 19637 3336 1 5 . 1 1 20 20 GLU CA C 20 55.480 55.480 57.170 -1.690 19637 3337 1 5 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.012 -1.218 19637 3338 1 5 . 1 1 20 20 GLU H H 20 8.601 8.601 8.615 -0.014 19637 3339 1 5 . 1 1 21 21 GLY N N 21 110.237 110.237 110.186 0.051 19637 3340 1 5 . 1 1 21 21 GLY C C 21 174.077 174.077 172.754 1.323 19637 3341 1 5 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.911 -1.250 19637 3342 1 5 . 1 1 21 21 GLY H H 21 8.530 8.530 8.598 -0.068 19637 3343 1 5 . 1 1 22 22 ALA N N 22 123.476 123.476 122.230 1.246 19637 3344 1 5 . 1 1 22 22 ALA C C 22 178.158 178.158 176.819 1.339 19637 3345 1 5 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.232 -0.477 19637 3346 1 5 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.251 -1.473 19637 3347 1 5 . 1 1 22 22 ALA H H 22 8.279 8.279 8.148 0.131 19637 3348 1 5 . 1 1 23 23 GLY N N 23 107.265 107.265 110.012 -2.747 19637 3349 1 5 . 1 1 23 23 GLY C C 23 174.727 174.727 175.479 -0.752 19637 3350 1 5 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.616 -1.176 19637 3351 1 5 . 1 1 23 23 GLY H H 23 8.452 8.452 9.800 -1.348 19637 3352 1 5 . 1 1 24 24 GLY N N 24 108.306 108.306 106.993 1.313 19637 3353 1 5 . 1 1 24 24 GLY C C 24 174.786 174.786 172.975 1.811 19637 3354 1 5 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.616 -1.176 19637 3355 1 5 . 1 1 24 24 GLY H H 24 8.221 8.221 8.902 -0.681 19637 3356 1 5 . 1 1 25 25 THR N N 25 114.381 114.381 115.299 -0.918 19637 3357 1 5 . 1 1 25 25 THR C C 25 175.170 175.170 173.437 1.733 19637 3358 1 5 . 1 1 25 25 THR CA C 25 61.599 61.599 62.947 -1.348 19637 3359 1 5 . 1 1 25 25 THR CB C 25 68.521 68.521 68.754 -0.233 19637 3360 1 5 . 1 1 25 25 THR H H 25 8.213 8.213 8.062 0.151 19637 3361 1 5 . 1 1 26 26 LEU N N 26 123.038 123.038 126.966 -3.928 19637 3362 1 5 . 1 1 26 26 LEU C C 26 177.918 177.918 177.345 0.573 19637 3363 1 5 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.942 -0.260 19637 3364 1 5 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.518 -2.373 19637 3365 1 5 . 1 1 26 26 LEU H H 26 8.425 8.425 8.436 -0.011 19637 3366 1 5 . 1 1 27 27 GLY N N 27 108.786 108.786 107.202 1.584 19637 3367 1 5 . 1 1 27 27 GLY C C 27 175.023 175.023 172.983 2.040 19637 3368 1 5 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.429 0.410 19637 3369 1 5 . 1 1 27 27 GLY H H 27 8.260 8.260 8.344 -0.084 19637 3370 1 5 . 1 1 28 28 SER N N 28 116.175 116.175 115.013 1.162 19637 3371 1 5 . 1 1 28 28 SER CA C 28 58.140 58.140 57.570 0.570 19637 3372 1 5 . 1 1 28 28 SER CB C 28 62.846 62.846 64.573 -1.727 19637 3373 1 5 . 1 1 28 28 SER H H 28 8.330 8.330 8.239 0.091 19637 3374 1 5 . 1 1 29 29 LEU N N 29 122.260 122.260 122.651 -0.391 19637 3375 1 5 . 1 1 29 29 LEU C C 29 177.512 177.512 177.822 -0.310 19637 3376 1 5 . 1 1 29 29 LEU CA C 29 54.416 54.416 56.593 -2.177 19637 3377 1 5 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.179 -1.857 19637 3378 1 5 . 1 1 29 29 LEU H H 29 8.157 8.157 8.531 -0.374 19637 3379 1 5 . 1 1 30 30 GLY N N 30 107.575 107.575 104.742 2.833 19637 3380 1 5 . 1 1 30 30 GLY C C 30 174.225 174.225 175.623 -1.398 19637 3381 1 5 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.856 -0.328 19637 3382 1 5 . 1 1 30 30 GLY H H 30 8.144 8.144 8.289 -0.145 19637 3383 1 5 . 1 1 31 31 GLY N N 31 107.996 107.996 109.059 -1.063 19637 3384 1 5 . 1 1 31 31 GLY C C 31 173.664 173.664 174.253 -0.589 19637 3385 1 5 . 1 1 31 31 GLY CA C 31 44.218 44.218 45.602 -1.384 19637 3386 1 5 . 1 1 31 31 GLY H H 31 8.044 8.044 8.468 -0.424 19637 3387 1 5 . 1 1 32 32 PHE N N 32 119.248 119.248 118.159 1.089 19637 3388 1 5 . 1 1 32 32 PHE C C 32 175.495 175.495 173.920 1.575 19637 3389 1 5 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.541 -1.169 19637 3390 1 5 . 1 1 32 32 PHE CB C 32 39.258 39.258 42.422 -3.164 19637 3391 1 5 . 1 1 32 32 PHE H H 32 8.181 8.181 8.146 0.035 19637 3392 1 5 . 1 1 33 33 SER N N 33 117.720 117.720 117.072 0.648 19637 3393 1 5 . 1 1 33 33 SER C C 33 173.368 173.368 173.169 0.199 19637 3394 1 5 . 1 1 33 33 SER CA C 33 55.746 55.746 57.563 -1.817 19637 3395 1 5 . 1 1 33 33 SER CB C 33 64.265 64.265 65.439 -1.174 19637 3396 1 5 . 1 1 33 33 SER H H 33 8.771 8.771 8.553 0.218 19637 3397 1 5 . 1 1 34 34 VAL N N 34 123.007 123.007 122.532 0.475 19637 3398 1 5 . 1 1 34 34 VAL CA C 34 59.426 59.426 62.190 -2.764 19637 3399 1 5 . 1 1 34 34 VAL CB C 34 32.785 32.785 31.974 0.811 19637 3400 1 5 . 1 1 34 34 VAL H H 34 8.525 8.525 8.402 0.123 19637 3401 1 5 . 1 1 35 35 THR N N 35 115.459 115.459 122.208 -6.749 19637 3402 1 5 . 1 1 35 35 THR CA C 35 61.200 61.200 61.377 -0.177 19637 3403 1 5 . 1 1 35 35 THR CB C 35 69.851 69.851 69.588 0.263 19637 3404 1 5 . 1 1 35 35 THR H H 35 8.147 8.147 8.168 -0.021 19637 3405 1 5 . 1 1 36 36 ASN N N 36 118.274 118.274 119.663 -1.389 19637 3406 1 5 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.755 -1.348 19637 3407 1 5 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.112 -1.007 19637 3408 1 5 . 1 1 36 36 ASN H H 36 8.719 8.719 8.353 0.366 19637 3409 1 5 . 1 1 37 37 ASN N N 37 115.657 115.657 117.180 -1.523 19637 3410 1 5 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.226 1.639 19637 3411 1 5 . 1 1 37 37 ASN CB C 37 44.312 44.312 38.629 5.683 19637 3412 1 5 . 1 1 37 37 ASN H H 37 8.432 8.432 8.473 -0.041 19637 3413 1 5 . 1 1 38 38 THR N N 38 122.444 122.444 119.282 3.162 19637 3414 1 5 . 1 1 38 38 THR CA C 38 61.288 61.288 61.405 -0.117 19637 3415 1 5 . 1 1 38 38 THR CB C 38 69.142 69.142 69.102 0.040 19637 3416 1 5 . 1 1 38 38 THR H H 38 8.095 8.095 8.606 -0.511 19637 3417 1 5 . 1 1 40 40 LEU N N 40 120.457 120.457 119.562 0.895 19637 3418 1 5 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.571 -0.244 19637 3419 1 5 . 1 1 40 40 LEU CB C 40 41.218 41.218 45.183 -3.965 19637 3420 1 5 . 1 1 40 40 LEU H H 40 6.902 6.902 8.331 -1.429 19637 3421 1 5 . 1 1 41 41 GLY N N 41 111.223 111.223 110.773 0.450 19637 3422 1 5 . 1 1 41 41 GLY C C 41 171.034 171.034 171.962 -0.928 19637 3423 1 5 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.897 -1.054 19637 3424 1 5 . 1 1 41 41 GLY H H 41 8.978 8.978 8.708 0.270 19637 3425 1 5 . 1 1 42 42 LEU N N 42 122.123 122.123 119.493 2.630 19637 3426 1 5 . 1 1 42 42 LEU C C 42 175.350 175.350 176.259 -0.909 19637 3427 1 5 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.112 -1.957 19637 3428 1 5 . 1 1 42 42 LEU CB C 42 45.377 45.377 44.611 0.766 19637 3429 1 5 . 1 1 42 42 LEU H H 42 8.679 8.679 8.430 0.249 19637 3430 1 5 . 1 1 43 43 THR N N 43 109.917 109.917 117.386 -7.469 19637 3431 1 5 . 1 1 43 43 THR C C 43 173.516 173.516 173.397 0.119 19637 3432 1 5 . 1 1 43 43 THR CA C 43 58.057 58.057 59.902 -1.845 19637 3433 1 5 . 1 1 43 43 THR CB C 43 70.029 70.029 70.874 -0.845 19637 3434 1 5 . 1 1 43 43 THR H H 43 8.792 8.792 9.289 -0.497 19637 3435 1 5 . 1 1 44 44 PHE N N 44 118.699 118.699 127.731 -9.032 19637 3436 1 5 . 1 1 44 44 PHE C C 44 173.917 173.917 175.345 -1.428 19637 3437 1 5 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.267 -0.786 19637 3438 1 5 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.249 -0.484 19637 3439 1 5 . 1 1 44 44 PHE H H 44 8.566 8.566 9.236 -0.670 19637 3440 1 5 . 1 1 45 45 THR N N 45 118.229 118.229 120.783 -2.554 19637 3441 1 5 . 1 1 45 45 THR C C 45 170.886 170.886 173.143 -2.257 19637 3442 1 5 . 1 1 45 45 THR CA C 45 60.097 60.097 60.753 -0.656 19637 3443 1 5 . 1 1 45 45 THR CB C 45 68.433 68.433 70.104 -1.671 19637 3444 1 5 . 1 1 45 45 THR H H 45 7.903 7.903 9.182 -1.279 19637 3445 1 5 . 1 1 46 46 TYR N N 46 124.450 124.450 121.162 3.288 19637 3446 1 5 . 1 1 46 46 TYR C C 46 174.254 174.254 173.159 1.095 19637 3447 1 5 . 1 1 46 46 TYR CA C 46 54.150 54.150 54.795 -0.645 19637 3448 1 5 . 1 1 46 46 TYR CB C 46 42.273 42.273 39.651 2.622 19637 3449 1 5 . 1 1 46 46 TYR H H 46 8.941 8.941 8.399 0.542 19637 3450 1 5 . 1 1 47 47 MET N N 47 123.598 123.598 122.149 1.449 19637 3451 1 5 . 1 1 47 47 MET C C 47 175.082 175.082 175.852 -0.770 19637 3452 1 5 . 1 1 47 47 MET CA C 47 50.425 50.425 54.753 -4.328 19637 3453 1 5 . 1 1 47 47 MET CB C 47 26.222 26.222 34.614 -8.392 19637 3454 1 5 . 1 1 47 47 MET H H 47 7.798 7.798 8.434 -0.636 19637 3455 1 5 . 1 1 48 48 ALA N N 48 129.975 129.975 126.311 3.664 19637 3456 1 5 . 1 1 48 48 ALA C C 48 178.568 178.568 177.308 1.260 19637 3457 1 5 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.586 -1.281 19637 3458 1 5 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.557 -1.845 19637 3459 1 5 . 1 1 48 48 ALA H H 48 8.717 8.717 8.634 0.083 19637 3460 1 5 . 1 1 49 49 THR N N 49 106.011 106.011 110.120 -4.109 19637 3461 1 5 . 1 1 49 49 THR C C 49 171.950 171.950 172.566 -0.616 19637 3462 1 5 . 1 1 49 49 THR CA C 49 57.786 57.786 62.677 -4.891 19637 3463 1 5 . 1 1 49 49 THR CB C 49 70.535 70.535 67.535 3.000 19637 3464 1 5 . 1 1 49 49 THR H H 49 8.072 8.072 8.197 -0.125 19637 3465 1 5 . 1 1 50 50 ASP N N 50 114.062 114.062 123.154 -9.092 19637 3466 1 5 . 1 1 50 50 ASP C C 50 175.318 175.318 175.135 0.183 19637 3467 1 5 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.491 0.285 19637 3468 1 5 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.990 -1.200 19637 3469 1 5 . 1 1 50 50 ASP H H 50 8.390 8.390 8.314 0.076 19637 3470 1 5 . 1 1 51 51 ASN N N 51 111.850 111.850 113.191 -1.341 19637 3471 1 5 . 1 1 51 51 ASN C C 51 171.684 171.684 172.702 -1.018 19637 3472 1 5 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.188 0.228 19637 3473 1 5 . 1 1 51 51 ASN CB C 51 40.233 40.233 36.849 3.384 19637 3474 1 5 . 1 1 51 51 ASN H H 51 7.887 7.887 8.710 -0.823 19637 3475 1 5 . 1 1 52 52 ILE N N 52 118.929 118.929 115.836 3.093 19637 3476 1 5 . 1 1 52 52 ILE C C 52 175.495 175.495 174.418 1.077 19637 3477 1 5 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.032 -0.384 19637 3478 1 5 . 1 1 52 52 ILE CB C 52 37.484 37.484 41.085 -3.601 19637 3479 1 5 . 1 1 52 52 ILE H H 52 7.707 7.707 7.344 0.363 19637 3480 1 5 . 1 1 53 53 GLY N N 53 114.998 114.998 112.232 2.766 19637 3481 1 5 . 1 1 53 53 GLY C C 53 171.536 171.536 171.950 -0.414 19637 3482 1 5 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.226 -1.294 19637 3483 1 5 . 1 1 53 53 GLY H H 53 8.678 8.678 8.644 0.034 19637 3484 1 5 . 1 1 54 54 VAL N N 54 118.327 118.327 118.085 0.242 19637 3485 1 5 . 1 1 54 54 VAL C C 54 173.309 173.309 173.543 -0.234 19637 3486 1 5 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.787 -1.139 19637 3487 1 5 . 1 1 54 54 VAL CB C 54 32.873 32.873 35.286 -2.413 19637 3488 1 5 . 1 1 54 54 VAL H H 54 8.734 8.734 7.983 0.751 19637 3489 1 5 . 1 1 55 55 GLU N N 55 126.907 126.907 125.560 1.347 19637 3490 1 5 . 1 1 55 55 GLU C C 55 173.575 173.575 174.583 -1.008 19637 3491 1 5 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.625 -1.356 19637 3492 1 5 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.950 1.777 19637 3493 1 5 . 1 1 55 55 GLU H H 55 9.084 9.084 8.469 0.615 19637 3494 1 5 . 1 1 56 56 LEU N N 56 126.739 126.739 127.643 -0.904 19637 3495 1 5 . 1 1 56 56 LEU C C 56 174.786 174.786 175.224 -0.438 19637 3496 1 5 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.991 -2.058 19637 3497 1 5 . 1 1 56 56 LEU CB C 56 45.022 45.022 44.110 0.912 19637 3498 1 5 . 1 1 56 56 LEU H H 56 9.168 9.168 8.860 0.308 19637 3499 1 5 . 1 1 57 57 LEU N N 57 127.189 127.189 128.244 -1.055 19637 3500 1 5 . 1 1 57 57 LEU C C 57 174.579 174.579 175.111 -0.532 19637 3501 1 5 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.883 -0.792 19637 3502 1 5 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.187 -1.027 19637 3503 1 5 . 1 1 57 57 LEU H H 57 9.174 9.174 8.899 0.275 19637 3504 1 5 . 1 1 58 58 ALA N N 58 125.061 125.061 125.662 -0.601 19637 3505 1 5 . 1 1 58 58 ALA C C 58 172.925 172.925 175.641 -2.716 19637 3506 1 5 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.048 -1.124 19637 3507 1 5 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.839 -1.760 19637 3508 1 5 . 1 1 58 58 ALA H H 58 9.435 9.435 9.092 0.343 19637 3509 1 5 . 1 1 59 59 ALA N N 59 116.911 116.911 120.027 -3.116 19637 3510 1 5 . 1 1 59 59 ALA C C 59 176.248 176.248 175.971 0.277 19637 3511 1 5 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.132 -2.061 19637 3512 1 5 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.132 -0.473 19637 3513 1 5 . 1 1 59 59 ALA H H 59 6.833 6.833 8.296 -1.463 19637 3514 1 5 . 1 1 60 60 THR N N 60 105.771 105.771 114.769 -8.998 19637 3515 1 5 . 1 1 60 60 THR C C 60 170.975 170.975 173.045 -2.070 19637 3516 1 5 . 1 1 60 60 THR CA C 60 59.515 59.515 58.850 0.665 19637 3517 1 5 . 1 1 60 60 THR CB C 60 63.487 63.487 69.565 -6.078 19637 3518 1 5 . 1 1 60 60 THR H H 60 7.718 7.718 8.598 -0.880 19637 3519 1 5 . 1 1 62 62 PHE N N 62 122.473 122.473 124.379 -1.906 19637 3520 1 5 . 1 1 62 62 PHE C C 62 174.934 174.934 175.404 -0.470 19637 3521 1 5 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.087 -0.366 19637 3522 1 5 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.571 -0.958 19637 3523 1 5 . 1 1 62 62 PHE H H 62 8.251 8.251 8.278 -0.027 19637 3524 1 5 . 1 1 63 63 ARG N N 63 118.016 118.016 125.197 -7.181 19637 3525 1 5 . 1 1 63 63 ARG C C 63 174.423 174.423 175.642 -1.219 19637 3526 1 5 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.467 -1.819 19637 3527 1 5 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.042 -0.144 19637 3528 1 5 . 1 1 63 63 ARG H H 63 7.378 7.378 8.453 -1.075 19637 3529 1 5 . 1 1 64 64 HIS N N 64 120.040 120.040 122.278 -2.238 19637 3530 1 5 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.736 -3.783 19637 3531 1 5 . 1 1 64 64 HIS H H 64 8.588 8.588 8.528 0.060 19637 3532 1 5 . 1 1 66 66 ILE N N 66 122.668 122.668 123.147 -0.479 19637 3533 1 5 . 1 1 66 66 ILE C C 66 175.141 175.141 173.610 1.531 19637 3534 1 5 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.108 -2.146 19637 3535 1 5 . 1 1 66 66 ILE CB C 66 38.637 38.637 41.572 -2.934 19637 3536 1 5 . 1 1 66 66 ILE H H 66 8.726 8.726 7.809 0.917 19637 3537 1 5 . 1 1 67 67 GLY N N 67 114.948 114.948 112.849 2.099 19637 3538 1 5 . 1 1 67 67 GLY C C 67 172.570 172.570 172.514 0.056 19637 3539 1 5 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.582 -1.453 19637 3540 1 5 . 1 1 67 67 GLY H H 67 8.780 8.780 8.200 0.580 19637 3541 1 5 . 1 1 68 68 THR N N 68 106.079 106.079 115.014 -8.935 19637 3542 1 5 . 1 1 68 68 THR C C 68 175.574 175.574 175.738 -0.164 19637 3543 1 5 . 1 1 68 68 THR CA C 68 58.672 58.672 59.289 -0.617 19637 3544 1 5 . 1 1 68 68 THR CB C 68 71.270 71.270 70.483 0.787 19637 3545 1 5 . 1 1 68 68 THR H H 68 7.431 7.431 8.051 -0.620 19637 3546 1 5 . 1 1 69 69 ARG N N 69 122.303 122.303 126.763 -4.460 19637 3547 1 5 . 1 1 69 69 ARG C C 69 178.298 178.298 177.076 1.222 19637 3548 1 5 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.292 -0.063 19637 3549 1 5 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.153 -1.980 19637 3550 1 5 . 1 1 69 69 ARG H H 69 8.783 8.783 8.883 -0.100 19637 3551 1 5 . 1 1 70 70 ALA N N 70 117.681 117.681 120.877 -3.196 19637 3552 1 5 . 1 1 70 70 ALA C C 70 179.281 179.281 178.799 0.482 19637 3553 1 5 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.544 -1.275 19637 3554 1 5 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.942 -0.967 19637 3555 1 5 . 1 1 70 70 ALA H H 70 8.262 8.262 7.625 0.637 19637 3556 1 5 . 1 1 71 71 THR N N 71 105.486 105.486 109.604 -4.118 19637 3557 1 5 . 1 1 71 71 THR C C 71 176.136 176.136 175.570 0.566 19637 3558 1 5 . 1 1 71 71 THR CA C 71 60.895 60.895 62.029 -1.135 19637 3559 1 5 . 1 1 71 71 THR CB C 71 70.383 70.383 71.102 -0.718 19637 3560 1 5 . 1 1 71 71 THR H H 71 7.473 7.473 7.658 -0.185 19637 3561 1 5 . 1 1 72 72 GLY N N 72 111.099 111.099 111.372 -0.273 19637 3562 1 5 . 1 1 72 72 GLY C C 72 175.052 175.052 173.060 1.992 19637 3563 1 5 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.058 -1.012 19637 3564 1 5 . 1 1 72 72 GLY H H 72 8.194 8.194 8.391 -0.197 19637 3565 1 5 . 1 1 73 73 ASP N N 73 121.919 121.919 124.122 -2.203 19637 3566 1 5 . 1 1 73 73 ASP C C 73 177.889 177.889 176.071 1.818 19637 3567 1 5 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.109 1.933 19637 3568 1 5 . 1 1 73 73 ASP CB C 73 39.524 39.524 39.761 -0.237 19637 3569 1 5 . 1 1 73 73 ASP H H 73 8.668 8.668 8.141 0.527 19637 3570 1 5 . 1 1 74 74 ILE N N 74 117.113 117.113 118.875 -1.762 19637 3571 1 5 . 1 1 74 74 ILE C C 74 175.013 175.013 174.789 0.224 19637 3572 1 5 . 1 1 74 74 ILE CA C 74 59.914 59.914 60.578 -0.664 19637 3573 1 5 . 1 1 74 74 ILE CB C 74 41.297 41.297 38.063 3.234 19637 3574 1 5 . 1 1 74 74 ILE H H 74 9.327 9.327 8.065 1.262 19637 3575 1 5 . 1 1 75 75 ALA N N 75 121.329 121.329 125.111 -3.782 19637 3576 1 5 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.641 -0.216 19637 3577 1 5 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.574 0.949 19637 3578 1 5 . 1 1 75 75 ALA H H 75 8.086 8.086 7.912 0.174 19637 3579 1 5 . 1 1 76 76 THR N N 76 116.168 116.168 117.087 -0.919 19637 3580 1 5 . 1 1 76 76 THR C C 76 173.043 173.043 173.013 0.030 19637 3581 1 5 . 1 1 76 76 THR CA C 76 60.540 60.540 63.445 -2.905 19637 3582 1 5 . 1 1 76 76 THR CB C 76 69.674 69.674 68.093 1.581 19637 3583 1 5 . 1 1 76 76 THR H H 76 8.539 8.539 8.273 0.266 19637 3584 1 5 . 1 1 77 77 VAL N N 77 117.996 117.996 124.564 -6.568 19637 3585 1 5 . 1 1 77 77 VAL C C 77 174.964 174.964 172.634 2.330 19637 3586 1 5 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.959 -3.611 19637 3587 1 5 . 1 1 77 77 VAL CB C 77 34.026 34.026 33.604 0.422 19637 3588 1 5 . 1 1 77 77 VAL H H 77 8.578 8.578 8.260 0.318 19637 3589 1 5 . 1 1 78 78 HIS N N 78 116.541 116.541 121.528 -4.987 19637 3590 1 5 . 1 1 78 78 HIS C C 78 173.634 173.634 172.781 0.853 19637 3591 1 5 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.737 -1.912 19637 3592 1 5 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.022 -1.075 19637 3593 1 5 . 1 1 78 78 HIS H H 78 7.822 7.822 7.792 0.030 19637 3594 1 5 . 1 1 79 79 HIS N N 79 113.176 113.176 120.006 -6.830 19637 3595 1 5 . 1 1 79 79 HIS C C 79 173.841 173.841 174.803 -0.962 19637 3596 1 5 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.654 -1.238 19637 3597 1 5 . 1 1 79 79 HIS CB C 79 34.026 34.026 32.581 1.445 19637 3598 1 5 . 1 1 79 79 HIS H H 79 7.912 7.912 8.605 -0.693 19637 3599 1 5 . 1 1 80 80 LEU N N 80 118.153 118.153 122.767 -4.614 19637 3600 1 5 . 1 1 80 80 LEU C C 80 177.821 177.821 176.056 1.765 19637 3601 1 5 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.055 -0.896 19637 3602 1 5 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.310 2.953 19637 3603 1 5 . 1 1 80 80 LEU H H 80 8.205 8.205 8.108 0.097 19637 3604 1 5 . 1 1 83 83 THR N N 83 115.326 115.326 119.591 -4.265 19637 3605 1 5 . 1 1 83 83 THR C C 83 171.362 171.362 172.693 -1.331 19637 3606 1 5 . 1 1 83 83 THR CA C 83 60.540 60.540 61.654 -1.114 19637 3607 1 5 . 1 1 83 83 THR CB C 83 72.068 72.068 72.514 -0.446 19637 3608 1 5 . 1 1 83 83 THR H H 83 7.688 7.688 8.692 -1.004 19637 3609 1 5 . 1 1 84 84 LEU N N 84 129.848 129.848 129.218 0.630 19637 3610 1 5 . 1 1 84 84 LEU C C 84 174.373 174.373 174.404 -0.031 19637 3611 1 5 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.232 -1.811 19637 3612 1 5 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.535 0.221 19637 3613 1 5 . 1 1 84 84 LEU H H 84 9.013 9.013 8.918 0.095 19637 3614 1 5 . 1 1 85 85 MET N N 85 121.374 121.374 126.527 -5.153 19637 3615 1 5 . 1 1 85 85 MET C C 85 175.407 175.407 173.733 1.674 19637 3616 1 5 . 1 1 85 85 MET CA C 85 52.421 52.421 54.443 -2.022 19637 3617 1 5 . 1 1 85 85 MET CB C 85 34.558 34.558 36.768 -2.210 19637 3618 1 5 . 1 1 85 85 MET H H 85 9.823 9.823 8.855 0.968 19637 3619 1 5 . 1 1 86 86 ALA N N 86 123.689 123.689 128.688 -4.999 19637 3620 1 5 . 1 1 86 86 ALA C C 86 176.205 176.205 175.555 0.650 19637 3621 1 5 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.611 -1.806 19637 3622 1 5 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.219 -1.268 19637 3623 1 5 . 1 1 86 86 ALA H H 86 9.080 9.080 9.016 0.064 19637 3624 1 5 . 1 1 87 87 GLN N N 87 116.548 116.548 123.803 -7.255 19637 3625 1 5 . 1 1 87 87 GLN C C 87 175.495 175.495 174.379 1.116 19637 3626 1 5 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.840 -1.482 19637 3627 1 5 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.069 2.223 19637 3628 1 5 . 1 1 87 87 GLN H H 87 9.061 9.061 8.435 0.626 19637 3629 1 5 . 1 1 88 88 TRP N N 88 119.609 119.609 129.976 -10.367 19637 3630 1 5 . 1 1 88 88 TRP C C 88 174.727 174.727 173.956 0.771 19637 3631 1 5 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.811 -0.857 19637 3632 1 5 . 1 1 88 88 TRP CB C 88 30.479 30.479 32.224 -1.744 19637 3633 1 5 . 1 1 88 88 TRP H H 88 8.893 8.893 9.231 -0.338 19637 3634 1 5 . 1 1 89 89 TYR N N 89 124.849 124.849 123.854 0.995 19637 3635 1 5 . 1 1 89 89 TYR C C 89 176.382 176.382 174.260 2.122 19637 3636 1 5 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.460 -1.418 19637 3637 1 5 . 1 1 89 89 TYR H H 89 8.815 8.815 8.156 0.659 19637 3638 1 5 . 1 1 90 90 PHE N N 90 122.137 122.137 119.875 2.262 19637 3639 1 5 . 1 1 90 90 PHE C C 90 176.304 176.304 174.844 1.460 19637 3640 1 5 . 1 1 90 90 PHE CA C 90 57.821 57.821 56.050 1.771 19637 3641 1 5 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.264 -0.804 19637 3642 1 5 . 1 1 90 90 PHE H H 90 9.171 9.171 8.365 0.806 19637 3643 1 5 . 1 1 91 91 GLY N N 91 108.961 108.961 109.090 -0.129 19637 3644 1 5 . 1 1 91 91 GLY C C 91 172.748 172.748 172.576 0.172 19637 3645 1 5 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.663 -0.332 19637 3646 1 5 . 1 1 91 91 GLY H H 91 9.342 9.342 8.281 1.061 19637 3647 1 5 . 1 1 92 92 ASP N N 92 119.869 119.869 120.255 -0.386 19637 3648 1 5 . 1 1 92 92 ASP C C 92 175.968 175.968 174.669 1.299 19637 3649 1 5 . 1 1 92 92 ASP CA C 92 51.622 51.622 53.880 -2.258 19637 3650 1 5 . 1 1 92 92 ASP CB C 92 41.563 41.563 43.273 -1.710 19637 3651 1 5 . 1 1 92 92 ASP H H 92 8.612 8.612 8.024 0.588 19637 3652 1 5 . 1 1 93 93 ALA N N 93 117.665 117.665 125.976 -8.311 19637 3653 1 5 . 1 1 93 93 ALA C C 93 178.748 178.748 176.552 2.196 19637 3654 1 5 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.447 1.733 19637 3655 1 5 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.528 -3.617 19637 3656 1 5 . 1 1 93 93 ALA H H 93 8.673 8.673 7.893 0.780 19637 3657 1 5 . 1 1 94 94 SER N N 94 115.062 115.062 117.289 -2.227 19637 3658 1 5 . 1 1 94 94 SER C C 94 175.348 175.348 174.179 1.169 19637 3659 1 5 . 1 1 94 94 SER CA C 94 58.185 58.185 57.547 0.638 19637 3660 1 5 . 1 1 94 94 SER CB C 94 62.757 62.757 61.966 0.791 19637 3661 1 5 . 1 1 94 94 SER H H 94 8.902 8.902 8.526 0.376 19637 3662 1 5 . 1 1 95 95 SER N N 95 120.754 120.754 114.642 6.112 19637 3663 1 5 . 1 1 95 95 SER CA C 95 58.451 58.451 59.229 -0.778 19637 3664 1 5 . 1 1 95 95 SER CB C 95 62.580 62.580 62.328 0.252 19637 3665 1 5 . 1 1 95 95 SER H H 95 7.922 7.922 7.924 -0.002 19637 3666 1 5 . 1 1 96 96 LYS N N 96 120.924 120.924 120.310 0.614 19637 3667 1 5 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.584 -1.985 19637 3668 1 5 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.792 -2.426 19637 3669 1 5 . 1 1 96 96 LYS H H 96 8.555 8.555 7.585 0.970 19637 3670 1 5 . 1 1 97 97 PHE N N 97 117.773 117.773 116.405 1.368 19637 3671 1 5 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.337 -0.649 19637 3672 1 5 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.730 -0.408 19637 3673 1 5 . 1 1 97 97 PHE H H 97 7.596 7.596 7.396 0.200 19637 3674 1 5 . 1 1 98 98 ARG N N 98 120.982 120.982 124.905 -3.923 19637 3675 1 5 . 1 1 98 98 ARG C C 98 173.047 173.047 174.156 -1.109 19637 3676 1 5 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.219 -0.748 19637 3677 1 5 . 1 1 98 98 ARG CB C 98 31.632 31.632 32.607 -0.975 19637 3678 1 5 . 1 1 98 98 ARG H H 98 8.823 8.823 8.762 0.061 19637 3679 1 5 . 1 1 100 100 TYR N N 100 117.775 117.775 112.123 5.652 19637 3680 1 5 . 1 1 100 100 TYR C C 100 173.047 173.047 173.436 -0.389 19637 3681 1 5 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.120 -2.166 19637 3682 1 5 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.434 0.090 19637 3683 1 5 . 1 1 100 100 TYR H H 100 8.885 8.885 8.404 0.481 19637 3684 1 5 . 1 1 101 101 VAL N N 101 111.744 111.744 120.244 -8.500 19637 3685 1 5 . 1 1 101 101 VAL C C 101 173.457 173.457 175.670 -2.213 19637 3686 1 5 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.302 -3.197 19637 3687 1 5 . 1 1 101 101 VAL CB C 101 34.381 34.381 33.347 1.034 19637 3688 1 5 . 1 1 101 101 VAL H H 101 8.365 8.365 9.063 -0.698 19637 3689 1 5 . 1 1 102 102 GLY N N 102 108.300 108.300 112.805 -4.505 19637 3690 1 5 . 1 1 102 102 GLY C C 102 171.241 171.241 172.904 -1.663 19637 3691 1 5 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.519 1.453 19637 3692 1 5 . 1 1 102 102 GLY H H 102 8.271 8.271 8.506 -0.235 19637 3693 1 5 . 1 1 103 103 ALA N N 103 120.836 120.836 121.132 -0.296 19637 3694 1 5 . 1 1 103 103 ALA C C 103 175.614 175.614 175.688 -0.074 19637 3695 1 5 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.523 -2.690 19637 3696 1 5 . 1 1 103 103 ALA CB C 103 21.718 21.718 20.617 1.101 19637 3697 1 5 . 1 1 103 103 ALA H H 103 9.048 9.048 8.191 0.857 19637 3698 1 5 . 1 1 104 104 GLY N N 104 107.477 107.477 110.281 -2.804 19637 3699 1 5 . 1 1 104 104 GLY C C 104 171.832 171.832 171.951 -0.119 19637 3700 1 5 . 1 1 104 104 GLY CA C 104 46.479 46.479 46.304 0.174 19637 3701 1 5 . 1 1 104 104 GLY H H 104 8.661 8.661 8.543 0.118 19637 3702 1 5 . 1 1 105 105 ILE N N 105 118.575 118.575 118.941 -0.366 19637 3703 1 5 . 1 1 105 105 ILE C C 105 172.275 172.275 174.033 -1.758 19637 3704 1 5 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.536 -3.188 19637 3705 1 5 . 1 1 105 105 ILE CB C 105 41.652 41.652 42.070 -0.418 19637 3706 1 5 . 1 1 105 105 ILE H H 105 9.020 9.020 8.471 0.549 19637 3707 1 5 . 1 1 106 106 ASN N N 106 123.879 123.879 124.728 -0.849 19637 3708 1 5 . 1 1 106 106 ASN C C 106 171.418 171.418 174.257 -2.839 19637 3709 1 5 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.132 0.452 19637 3710 1 5 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.561 1.293 19637 3711 1 5 . 1 1 106 106 ASN H H 106 9.659 9.659 8.422 1.237 19637 3712 1 5 . 1 1 107 107 TYR N N 107 125.744 125.744 129.391 -3.647 19637 3713 1 5 . 1 1 107 107 TYR C C 107 173.073 173.073 175.788 -2.715 19637 3714 1 5 . 1 1 107 107 TYR CA C 107 54.504 54.504 59.445 -4.941 19637 3715 1 5 . 1 1 107 107 TYR CB C 107 40.854 40.854 38.440 2.414 19637 3716 1 5 . 1 1 107 107 TYR H H 107 8.273 8.273 8.819 -0.546 19637 3717 1 5 . 1 1 108 108 THR N N 108 119.337 119.337 120.358 -1.021 19637 3718 1 5 . 1 1 108 108 THR C C 108 172.457 172.457 173.353 -0.896 19637 3719 1 5 . 1 1 108 108 THR CA C 108 60.452 60.452 60.025 0.427 19637 3720 1 5 . 1 1 108 108 THR CB C 108 69.319 69.319 71.600 -2.281 19637 3721 1 5 . 1 1 108 108 THR H H 108 8.446 8.446 9.014 -0.568 19637 3722 1 5 . 1 1 109 109 THR N N 109 118.655 118.655 116.209 2.446 19637 3723 1 5 . 1 1 109 109 THR C C 109 171.625 171.625 173.318 -1.693 19637 3724 1 5 . 1 1 109 109 THR CA C 109 56.810 56.810 61.108 -4.298 19637 3725 1 5 . 1 1 109 109 THR H H 109 7.548 7.548 8.672 -1.124 19637 3726 1 5 . 1 1 112 112 ASP N N 112 116.796 116.796 119.512 -2.716 19637 3727 1 5 . 1 1 112 112 ASP C C 112 175.490 175.490 175.129 0.361 19637 3728 1 5 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.624 -0.740 19637 3729 1 5 . 1 1 112 112 ASP CB C 112 37.662 37.662 43.463 -5.801 19637 3730 1 5 . 1 1 112 112 ASP H H 112 8.995 8.995 8.170 0.825 19637 3731 1 5 . 1 1 113 113 ASN N N 113 117.801 117.801 117.426 0.375 19637 3732 1 5 . 1 1 113 113 ASN C C 113 175.702 175.702 173.913 1.789 19637 3733 1 5 . 1 1 113 113 ASN CA C 113 50.736 50.736 54.532 -3.796 19637 3734 1 5 . 1 1 113 113 ASN CB C 113 39.348 39.348 37.894 1.454 19637 3735 1 5 . 1 1 113 113 ASN H H 113 8.410 8.410 8.438 -0.028 19637 3736 1 5 . 1 1 114 114 GLY N N 114 107.744 107.744 104.429 3.315 19637 3737 1 5 . 1 1 114 114 GLY C C 114 171.979 171.979 173.860 -1.881 19637 3738 1 5 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.231 -0.437 19637 3739 1 5 . 1 1 114 114 GLY H H 114 8.557 8.557 8.274 0.283 19637 3740 1 5 . 1 1 115 115 PHE N N 115 119.554 119.554 118.874 0.680 19637 3741 1 5 . 1 1 115 115 PHE C C 115 176.192 176.192 173.346 2.846 19637 3742 1 5 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.050 -1.560 19637 3743 1 5 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.196 0.885 19637 3744 1 5 . 1 1 115 115 PHE H H 115 8.607 8.607 8.838 -0.231 19637 3745 1 5 . 1 1 116 116 ASN N N 116 120.356 120.356 122.411 -2.055 19637 3746 1 5 . 1 1 116 116 ASN C C 116 175.407 175.407 174.597 0.810 19637 3747 1 5 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.541 -2.470 19637 3748 1 5 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.099 -3.058 19637 3749 1 5 . 1 1 116 116 ASN H H 116 8.240 8.240 7.942 0.298 19637 3750 1 5 . 1 1 117 117 ASP N N 117 117.610 117.610 119.096 -1.486 19637 3751 1 5 . 1 1 117 117 ASP C C 117 178.298 178.298 178.116 0.182 19637 3752 1 5 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.350 -1.002 19637 3753 1 5 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.565 -2.017 19637 3754 1 5 . 1 1 117 117 ASP H H 117 8.460 8.460 8.633 -0.173 19637 3755 1 5 . 1 1 118 118 HIS N N 118 118.493 118.493 116.883 1.610 19637 3756 1 5 . 1 1 118 118 HIS C C 118 177.821 177.821 177.375 0.446 19637 3757 1 5 . 1 1 118 118 HIS CA C 118 56.766 56.766 57.900 -1.134 19637 3758 1 5 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.265 -3.538 19637 3759 1 5 . 1 1 118 118 HIS H H 118 8.185 8.185 8.346 -0.161 19637 3760 1 5 . 1 1 119 119 GLY N N 119 107.937 107.937 107.055 0.882 19637 3761 1 5 . 1 1 119 119 GLY C C 119 175.082 175.082 175.725 -0.643 19637 3762 1 5 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.914 -0.303 19637 3763 1 5 . 1 1 119 119 GLY H H 119 8.788 8.788 8.693 0.095 19637 3764 1 5 . 1 1 120 120 LYS N N 120 122.898 122.898 122.424 0.474 19637 3765 1 5 . 1 1 120 120 LYS C C 120 181.612 181.612 179.227 2.385 19637 3766 1 5 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.210 -0.493 19637 3767 1 5 . 1 1 120 120 LYS CB C 120 30.656 30.656 31.844 -1.188 19637 3768 1 5 . 1 1 120 120 LYS H H 120 8.890 8.890 8.253 0.637 19637 3769 1 5 . 1 1 121 121 GLU N N 121 120.995 120.995 118.099 2.896 19637 3770 1 5 . 1 1 121 121 GLU C C 121 177.327 177.327 177.005 0.322 19637 3771 1 5 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.346 -0.693 19637 3772 1 5 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.249 -1.519 19637 3773 1 5 . 1 1 121 121 GLU H H 121 8.234 8.234 7.738 0.496 19637 3774 1 5 . 1 1 122 122 ALA N N 122 119.811 119.811 119.541 0.270 19637 3775 1 5 . 1 1 122 122 ALA C C 122 176.500 176.500 177.490 -0.990 19637 3776 1 5 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.041 0.001 19637 3777 1 5 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.142 -2.432 19637 3778 1 5 . 1 1 122 122 ALA H H 122 7.259 7.259 7.348 -0.089 19637 3779 1 5 . 1 1 123 123 GLY N N 123 103.863 103.863 107.291 -3.428 19637 3780 1 5 . 1 1 123 123 GLY C C 123 175.082 175.082 173.717 1.365 19637 3781 1 5 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.151 -1.887 19637 3782 1 5 . 1 1 123 123 GLY H H 123 7.745 7.745 7.895 -0.150 19637 3783 1 5 . 1 1 124 124 LEU N N 124 123.722 123.722 119.419 4.303 19637 3784 1 5 . 1 1 124 124 LEU C C 124 176.293 176.293 175.360 0.933 19637 3785 1 5 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.447 -1.178 19637 3786 1 5 . 1 1 124 124 LEU CB C 124 38.016 38.016 43.064 -5.048 19637 3787 1 5 . 1 1 124 124 LEU H H 124 7.461 7.461 8.248 -0.787 19637 3788 1 5 . 1 1 125 125 SER N N 125 114.112 114.112 120.750 -6.638 19637 3789 1 5 . 1 1 125 125 SER C C 125 173.250 173.250 175.420 -2.170 19637 3790 1 5 . 1 1 125 125 SER CA C 125 57.259 57.259 61.125 -3.866 19637 3791 1 5 . 1 1 125 125 SER CB C 125 65.684 65.684 64.364 1.320 19637 3792 1 5 . 1 1 125 125 SER H H 125 8.809 8.809 9.050 -0.241 19637 3793 1 5 . 1 1 126 126 ASP N N 126 117.817 117.817 119.775 -1.958 19637 3794 1 5 . 1 1 126 126 ASP C C 126 174.107 174.107 175.708 -1.601 19637 3795 1 5 . 1 1 126 126 ASP CA C 126 54.593 54.593 56.929 -2.336 19637 3796 1 5 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.427 -1.701 19637 3797 1 5 . 1 1 126 126 ASP H H 126 9.035 9.035 8.158 0.877 19637 3798 1 5 . 1 1 127 127 LEU N N 127 120.160 120.160 120.446 -0.286 19637 3799 1 5 . 1 1 127 127 LEU C C 127 176.726 176.726 174.657 2.069 19637 3800 1 5 . 1 1 127 127 LEU CA C 127 54.371 54.371 54.581 -0.210 19637 3801 1 5 . 1 1 127 127 LEU CB C 127 40.322 40.322 44.158 -3.836 19637 3802 1 5 . 1 1 127 127 LEU H H 127 8.109 8.109 8.155 -0.046 19637 3803 1 5 . 1 1 128 128 SER N N 128 120.909 120.909 118.626 2.283 19637 3804 1 5 . 1 1 128 128 SER C C 128 172.038 172.038 174.202 -2.164 19637 3805 1 5 . 1 1 128 128 SER CA C 128 57.120 57.120 56.435 0.685 19637 3806 1 5 . 1 1 128 128 SER CB C 128 64.353 64.353 64.106 0.247 19637 3807 1 5 . 1 1 128 128 SER H H 128 9.499 9.499 8.099 1.400 19637 3808 1 5 . 1 1 129 129 LEU N N 129 122.260 122.260 122.227 0.033 19637 3809 1 5 . 1 1 129 129 LEU C C 129 176.411 176.411 176.323 0.088 19637 3810 1 5 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.502 -1.663 19637 3811 1 5 . 1 1 129 129 LEU CB C 129 42.539 42.539 42.425 0.114 19637 3812 1 5 . 1 1 129 129 LEU H H 129 8.182 8.182 8.440 -0.258 19637 3813 1 5 . 1 1 130 130 LYS N N 130 122.490 122.490 122.452 0.038 19637 3814 1 5 . 1 1 130 130 LYS C C 130 176.754 176.754 174.527 2.227 19637 3815 1 5 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.299 -0.257 19637 3816 1 5 . 1 1 130 130 LYS CB C 130 32.518 32.518 32.937 -0.419 19637 3817 1 5 . 1 1 130 130 LYS H H 130 7.536 7.536 8.493 -0.957 19637 3818 1 5 . 1 1 131 131 ASP N N 131 123.217 123.217 118.484 4.733 19637 3819 1 5 . 1 1 131 131 ASP C C 131 175.998 175.998 174.280 1.718 19637 3820 1 5 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.198 -0.738 19637 3821 1 5 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.225 0.008 19637 3822 1 5 . 1 1 131 131 ASP H H 131 8.782 8.782 8.077 0.705 19637 3823 1 5 . 1 1 132 132 SER N N 132 115.445 115.445 115.962 -0.517 19637 3824 1 5 . 1 1 132 132 SER C C 132 171.920 171.920 174.119 -2.199 19637 3825 1 5 . 1 1 132 132 SER CA C 132 55.790 55.790 57.940 -2.150 19637 3826 1 5 . 1 1 132 132 SER CB C 132 64.087 64.087 63.554 0.533 19637 3827 1 5 . 1 1 132 132 SER H H 132 9.016 9.016 8.122 0.894 19637 3828 1 5 . 1 1 133 133 TRP N N 133 124.389 124.389 127.380 -2.991 19637 3829 1 5 . 1 1 133 133 TRP C C 133 178.243 178.243 176.885 1.358 19637 3830 1 5 . 1 1 133 133 TRP CA C 133 55.309 55.309 55.066 0.243 19637 3831 1 5 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.091 1.310 19637 3832 1 5 . 1 1 133 133 TRP H H 133 7.896 7.896 7.938 -0.042 19637 3833 1 5 . 1 1 134 134 GLY N N 134 107.658 107.658 112.039 -4.381 19637 3834 1 5 . 1 1 134 134 GLY C C 134 171.123 171.123 173.601 -2.478 19637 3835 1 5 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.246 0.504 19637 3836 1 5 . 1 1 134 134 GLY H H 134 8.896 8.896 8.681 0.215 19637 3837 1 5 . 1 1 135 135 ALA N N 135 122.244 122.244 127.288 -5.044 19637 3838 1 5 . 1 1 135 135 ALA C C 135 174.875 174.875 176.385 -1.510 19637 3839 1 5 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.900 -0.759 19637 3840 1 5 . 1 1 135 135 ALA CB C 135 19.306 19.306 18.476 0.830 19637 3841 1 5 . 1 1 135 135 ALA H H 135 8.946 8.946 7.758 1.188 19637 3842 1 5 . 1 1 136 136 ALA N N 136 118.579 118.579 126.764 -8.185 19637 3843 1 5 . 1 1 136 136 ALA C C 136 175.434 175.434 175.849 -0.415 19637 3844 1 5 . 1 1 136 136 ALA CA C 136 49.494 49.494 52.049 -2.555 19637 3845 1 5 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.148 2.059 19637 3846 1 5 . 1 1 136 136 ALA H H 136 8.111 8.111 7.826 0.285 19637 3847 1 5 . 1 1 137 137 GLY N N 137 105.005 105.005 105.121 -0.116 19637 3848 1 5 . 1 1 137 137 GLY C C 137 171.300 171.300 172.546 -1.246 19637 3849 1 5 . 1 1 137 137 GLY CA C 137 43.182 43.182 43.905 -0.723 19637 3850 1 5 . 1 1 137 137 GLY H H 137 8.933 8.933 8.094 0.839 19637 3851 1 5 . 1 1 138 138 GLN N N 138 115.695 115.695 116.178 -0.483 19637 3852 1 5 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.062 -1.799 19637 3853 1 5 . 1 1 138 138 GLN H H 138 8.559 8.559 7.939 0.620 19637 3854 1 5 . 1 1 140 140 GLY N N 140 110.307 110.307 114.265 -3.958 19637 3855 1 5 . 1 1 140 140 GLY C C 140 171.329 171.329 171.854 -0.525 19637 3856 1 5 . 1 1 140 140 GLY CA C 140 44.617 44.617 42.823 1.794 19637 3857 1 5 . 1 1 140 140 GLY H H 140 7.936 7.936 8.625 -0.689 19637 3858 1 5 . 1 1 141 141 VAL N N 141 112.233 112.233 118.012 -5.779 19637 3859 1 5 . 1 1 141 141 VAL C C 141 171.979 171.979 174.197 -2.218 19637 3860 1 5 . 1 1 141 141 VAL CA C 141 59.914 59.914 61.157 -1.243 19637 3861 1 5 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.976 -1.039 19637 3862 1 5 . 1 1 141 141 VAL H H 141 8.646 8.646 8.248 0.398 19637 3863 1 5 . 1 1 142 142 ASP N N 142 122.520 122.520 125.983 -3.463 19637 3864 1 5 . 1 1 142 142 ASP C C 142 175.259 175.259 174.432 0.827 19637 3865 1 5 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.031 -0.320 19637 3866 1 5 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.080 -1.300 19637 3867 1 5 . 1 1 142 142 ASP H H 142 7.402 7.402 8.771 -1.369 19637 3868 1 5 . 1 1 143 143 TYR N N 143 122.331 122.331 122.638 -0.307 19637 3869 1 5 . 1 1 143 143 TYR C C 143 173.870 173.870 175.440 -1.570 19637 3870 1 5 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.110 -2.162 19637 3871 1 5 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.935 -0.170 19637 3872 1 5 . 1 1 143 143 TYR H H 143 9.396 9.396 8.632 0.764 19637 3873 1 5 . 1 1 144 144 LEU N N 144 130.341 130.341 125.337 5.004 19637 3874 1 5 . 1 1 144 144 LEU C C 144 174.786 174.786 176.136 -1.350 19637 3875 1 5 . 1 1 144 144 LEU CA C 144 55.524 55.524 56.427 -0.903 19637 3876 1 5 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.501 -1.824 19637 3877 1 5 . 1 1 144 144 LEU H H 144 8.313 8.313 8.554 -0.241 19637 3878 1 5 . 1 1 145 145 ILE N N 145 124.602 124.602 124.583 0.019 19637 3879 1 5 . 1 1 145 145 ILE C C 145 177.593 177.593 176.433 1.160 19637 3880 1 5 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.720 -2.623 19637 3881 1 5 . 1 1 145 145 ILE CB C 145 36.864 36.864 39.474 -2.610 19637 3882 1 5 . 1 1 145 145 ILE H H 145 8.809 8.809 8.778 0.031 19637 3883 1 5 . 1 1 146 146 ASN N N 146 118.348 118.348 114.465 3.883 19637 3884 1 5 . 1 1 146 146 ASN CA C 146 51.318 51.318 53.307 -1.989 19637 3885 1 5 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.410 -3.458 19637 3886 1 5 . 1 1 146 146 ASN H H 146 8.362 8.362 8.069 0.293 19637 3887 1 5 . 1 1 147 147 ARG N N 147 113.940 113.940 120.728 -6.788 19637 3888 1 5 . 1 1 147 147 ARG C C 147 176.470 176.470 175.541 0.929 19637 3889 1 5 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.471 -0.887 19637 3890 1 5 . 1 1 147 147 ARG CB C 147 28.705 28.705 29.359 -0.654 19637 3891 1 5 . 1 1 147 147 ARG H H 147 8.072 8.072 8.986 -0.914 19637 3892 1 5 . 1 1 148 148 ASP N N 148 112.938 112.938 117.505 -4.567 19637 3893 1 5 . 1 1 148 148 ASP C C 148 174.373 174.373 174.686 -0.313 19637 3894 1 5 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.053 0.274 19637 3895 1 5 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.387 0.241 19637 3896 1 5 . 1 1 148 148 ASP H H 148 7.668 7.668 8.420 -0.752 19637 3897 1 5 . 1 1 149 149 TRP N N 149 116.148 116.148 120.801 -4.653 19637 3898 1 5 . 1 1 149 149 TRP C C 149 175.574 175.574 175.872 -0.298 19637 3899 1 5 . 1 1 149 149 TRP CA C 149 55.486 55.486 56.628 -1.142 19637 3900 1 5 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.686 1.034 19637 3901 1 5 . 1 1 149 149 TRP H H 149 7.788 7.788 8.455 -0.667 19637 3902 1 5 . 1 1 150 150 LEU N N 150 118.106 118.106 116.371 1.735 19637 3903 1 5 . 1 1 150 150 LEU C C 150 175.141 175.141 174.980 0.161 19637 3904 1 5 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.428 -1.273 19637 3905 1 5 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.269 -0.868 19637 3906 1 5 . 1 1 150 150 LEU H H 150 9.306 9.306 8.904 0.402 19637 3907 1 5 . 1 1 151 151 VAL N N 151 115.211 115.211 115.934 -0.723 19637 3908 1 5 . 1 1 151 151 VAL C C 151 173.524 173.524 174.941 -1.417 19637 3909 1 5 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.880 -1.581 19637 3910 1 5 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.100 -1.251 19637 3911 1 5 . 1 1 151 151 VAL H H 151 9.293 9.293 8.078 1.215 19637 3912 1 5 . 1 1 152 152 ASN N N 152 124.526 124.526 121.318 3.208 19637 3913 1 5 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.318 -1.563 19637 3914 1 5 . 1 1 152 152 ASN CB C 152 42.628 42.628 43.566 -0.939 19637 3915 1 5 . 1 1 152 152 ASN H H 152 8.893 8.893 9.282 -0.389 19637 3916 1 5 . 1 1 153 153 MET N N 153 118.533 118.533 124.021 -5.488 19637 3917 1 5 . 1 1 153 153 MET C C 153 173.987 173.987 174.315 -0.328 19637 3918 1 5 . 1 1 153 153 MET CA C 153 54.017 54.017 54.675 -0.658 19637 3919 1 5 . 1 1 153 153 MET CB C 153 36.243 36.243 36.410 -0.167 19637 3920 1 5 . 1 1 153 153 MET H H 153 8.003 8.003 9.425 -1.422 19637 3921 1 5 . 1 1 154 154 SER N N 154 113.225 113.225 121.577 -8.352 19637 3922 1 5 . 1 1 154 154 SER C C 154 172.120 172.120 173.855 -1.735 19637 3923 1 5 . 1 1 154 154 SER CA C 154 56.550 56.550 58.293 -1.743 19637 3924 1 5 . 1 1 154 154 SER CB C 154 64.619 64.619 64.264 0.355 19637 3925 1 5 . 1 1 154 154 SER H H 154 9.191 9.191 8.534 0.657 19637 3926 1 5 . 1 1 155 155 VAL N N 155 119.543 119.543 123.431 -3.888 19637 3927 1 5 . 1 1 155 155 VAL C C 155 173.973 173.973 173.889 0.084 19637 3928 1 5 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.804 -2.422 19637 3929 1 5 . 1 1 155 155 VAL H H 155 9.190 9.190 8.161 1.029 19637 3930 1 5 . 1 1 156 156 TRP N N 156 124.596 124.596 128.153 -3.557 19637 3931 1 5 . 1 1 156 156 TRP C C 156 175.237 175.237 173.958 1.279 19637 3932 1 5 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.189 -2.926 19637 3933 1 5 . 1 1 156 156 TRP CB C 156 33.228 33.228 33.311 -0.083 19637 3934 1 5 . 1 1 156 156 TRP H H 156 9.883 9.883 8.243 1.640 19637 3935 1 5 . 1 1 160 160 ILE N N 160 123.211 123.211 123.056 0.155 19637 3936 1 5 . 1 1 160 160 ILE C C 160 173.545 173.545 173.432 0.113 19637 3937 1 5 . 1 1 160 160 ILE CA C 160 60.269 60.269 61.357 -1.088 19637 3938 1 5 . 1 1 160 160 ILE H H 160 7.948 7.948 8.078 -0.130 19637 3939 1 5 . 1 1 161 161 ASP N N 161 128.357 128.357 127.511 0.846 19637 3940 1 5 . 1 1 161 161 ASP CA C 161 52.421 52.421 52.779 -0.358 19637 3941 1 5 . 1 1 161 161 ASP CB C 161 41.830 41.830 43.057 -1.227 19637 3942 1 5 . 1 1 161 161 ASP H H 161 8.302 8.302 8.812 -0.510 19637 3943 1 5 . 1 1 162 162 THR N N 162 117.472 117.472 114.323 3.149 19637 3944 1 5 . 1 1 162 162 THR CA C 162 57.259 57.259 60.968 -3.709 19637 3945 1 5 . 1 1 162 162 THR CB C 162 68.167 68.167 71.553 -3.386 19637 3946 1 5 . 1 1 162 162 THR H H 162 8.788 8.788 8.231 0.557 19637 3947 1 5 . 1 1 163 163 THR N N 163 120.189 120.189 114.904 5.285 19637 3948 1 5 . 1 1 163 163 THR CA C 163 60.629 60.629 60.115 0.514 19637 3949 1 5 . 1 1 163 163 THR CB C 163 68.278 68.278 71.146 -2.868 19637 3950 1 5 . 1 1 163 163 THR H H 163 8.429 8.429 8.303 0.126 19637 3951 1 5 . 1 1 164 164 ALA N N 164 127.991 127.991 126.055 1.936 19637 3952 1 5 . 1 1 164 164 ALA C C 164 174.993 174.993 175.944 -0.951 19637 3953 1 5 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.540 -1.350 19637 3954 1 5 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.240 -3.289 19637 3955 1 5 . 1 1 164 164 ALA H H 164 9.428 9.428 8.877 0.551 19637 3956 1 5 . 1 1 165 165 ASN N N 165 122.214 122.214 121.741 0.473 19637 3957 1 5 . 1 1 165 165 ASN C C 165 173.047 173.047 173.880 -0.833 19637 3958 1 5 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.384 -2.243 19637 3959 1 5 . 1 1 165 165 ASN CB C 165 40.056 40.056 38.950 1.106 19637 3960 1 5 . 1 1 165 165 ASN H H 165 9.216 9.216 8.727 0.489 19637 3961 1 5 . 1 1 166 166 TYR N N 166 116.330 116.330 121.673 -5.343 19637 3962 1 5 . 1 1 166 166 TYR C C 166 172.260 172.260 174.041 -1.781 19637 3963 1 5 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.376 -1.979 19637 3964 1 5 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.228 -1.566 19637 3965 1 5 . 1 1 166 166 TYR H H 166 7.816 7.816 8.651 -0.835 19637 3966 1 5 . 1 1 167 167 LYS N N 167 117.734 117.734 120.165 -2.431 19637 3967 1 5 . 1 1 167 167 LYS C C 167 174.760 174.760 173.757 1.003 19637 3968 1 5 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.918 -1.167 19637 3969 1 5 . 1 1 167 167 LYS CB C 167 34.381 34.381 37.436 -3.055 19637 3970 1 5 . 1 1 167 167 LYS H H 167 9.100 9.100 8.313 0.787 19637 3971 1 5 . 1 1 168 168 LEU N N 168 121.623 121.623 114.531 7.092 19637 3972 1 5 . 1 1 168 168 LEU C C 168 177.877 177.877 177.941 -0.064 19637 3973 1 5 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.634 -1.125 19637 3974 1 5 . 1 1 168 168 LEU CB C 168 42.894 42.894 44.673 -1.779 19637 3975 1 5 . 1 1 168 168 LEU H H 168 8.372 8.372 8.359 0.013 19637 3976 1 5 . 1 1 169 169 GLY N N 169 119.264 119.264 108.186 11.078 19637 3977 1 5 . 1 1 169 169 GLY C C 169 175.602 175.602 175.133 0.469 19637 3978 1 5 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.995 0.262 19637 3979 1 5 . 1 1 169 169 GLY H H 169 9.603 9.603 8.670 0.933 19637 3980 1 5 . 1 1 170 170 GLY N N 170 104.659 104.659 107.589 -2.930 19637 3981 1 5 . 1 1 170 170 GLY C C 170 172.570 172.570 174.521 -1.951 19637 3982 1 5 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.838 -0.798 19637 3983 1 5 . 1 1 170 170 GLY H H 170 8.381 8.381 8.161 0.220 19637 3984 1 5 . 1 1 171 171 ALA N N 171 123.570 123.570 122.947 0.623 19637 3985 1 5 . 1 1 171 171 ALA C C 171 177.569 177.569 177.192 0.377 19637 3986 1 5 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.584 -1.691 19637 3987 1 5 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.910 -1.580 19637 3988 1 5 . 1 1 171 171 ALA H H 171 7.650 7.650 7.394 0.256 19637 3989 1 5 . 1 1 172 172 GLN N N 172 124.057 124.057 119.848 4.209 19637 3990 1 5 . 1 1 172 172 GLN C C 172 174.869 174.869 175.031 -0.162 19637 3991 1 5 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.176 0.842 19637 3992 1 5 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.100 0.073 19637 3993 1 5 . 1 1 172 172 GLN H H 172 8.840 8.840 8.516 0.324 19637 3994 1 5 . 1 1 173 173 GLN N N 173 124.328 124.328 125.998 -1.670 19637 3995 1 5 . 1 1 173 173 GLN C C 173 174.953 174.953 174.546 0.407 19637 3996 1 5 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.775 -3.620 19637 3997 1 5 . 1 1 173 173 GLN CB C 173 29.415 29.415 28.247 1.168 19637 3998 1 5 . 1 1 173 173 GLN H H 173 9.023 9.023 8.136 0.887 19637 3999 1 5 . 1 1 174 174 HIS N N 174 115.629 115.629 122.725 -7.096 19637 4000 1 5 . 1 1 174 174 HIS C C 174 173.103 173.103 172.616 0.487 19637 4001 1 5 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.988 -2.542 19637 4002 1 5 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.950 -2.269 19637 4003 1 5 . 1 1 174 174 HIS H H 174 8.227 8.227 8.374 -0.147 19637 4004 1 5 . 1 1 175 175 ASP N N 175 120.615 120.615 126.378 -5.763 19637 4005 1 5 . 1 1 175 175 ASP C C 175 175.013 175.013 175.370 -0.357 19637 4006 1 5 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.122 -0.391 19637 4007 1 5 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.891 1.220 19637 4008 1 5 . 1 1 175 175 ASP H H 175 8.964 8.964 8.475 0.489 19637 4009 1 5 . 1 1 176 176 SER N N 176 118.175 118.175 120.693 -2.518 19637 4010 1 5 . 1 1 176 176 SER C C 176 173.496 173.496 174.510 -1.014 19637 4011 1 5 . 1 1 176 176 SER CA C 176 57.697 57.697 58.382 -0.685 19637 4012 1 5 . 1 1 176 176 SER CB C 176 62.757 62.757 63.644 -0.887 19637 4013 1 5 . 1 1 176 176 SER H H 176 9.137 9.137 8.596 0.541 19637 4014 1 5 . 1 1 177 177 VAL N N 177 123.737 123.737 127.324 -3.587 19637 4015 1 5 . 1 1 177 177 VAL C C 177 173.398 173.398 174.059 -0.661 19637 4016 1 5 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.366 -1.089 19637 4017 1 5 . 1 1 177 177 VAL CB C 177 32.518 32.518 30.213 2.305 19637 4018 1 5 . 1 1 177 177 VAL H H 177 8.492 8.492 8.468 0.024 19637 4019 1 5 . 1 1 178 178 ARG N N 178 127.628 127.628 125.169 2.459 19637 4020 1 5 . 1 1 178 178 ARG C C 178 175.097 175.097 174.978 0.119 19637 4021 1 5 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.769 -1.752 19637 4022 1 5 . 1 1 178 178 ARG CB C 178 29.149 29.149 30.791 -1.642 19637 4023 1 5 . 1 1 178 178 ARG H H 178 8.513 8.513 8.061 0.452 19637 4024 1 5 . 1 1 182 182 TRP N N 182 115.616 115.616 116.934 -1.318 19637 4025 1 5 . 1 1 182 182 TRP C C 182 176.613 176.613 174.644 1.969 19637 4026 1 5 . 1 1 182 182 TRP CA C 182 55.228 55.228 55.489 -0.261 19637 4027 1 5 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.124 0.685 19637 4028 1 5 . 1 1 182 182 TRP H H 182 7.491 7.491 7.718 -0.227 19637 4029 1 5 . 1 1 183 183 VAL N N 183 121.618 121.618 114.212 7.406 19637 4030 1 5 . 1 1 183 183 VAL CA C 183 58.628 58.628 59.794 -1.166 19637 4031 1 5 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.001 -2.305 19637 4032 1 5 . 1 1 183 183 VAL H H 183 9.372 9.372 8.392 0.980 19637 4033 1 5 . 1 1 185 185 MET N N 185 129.032 129.032 121.895 7.137 19637 4034 1 5 . 1 1 185 185 MET C C 185 172.186 172.186 174.176 -1.990 19637 4035 1 5 . 1 1 185 185 MET CA C 185 53.091 53.091 54.190 -1.099 19637 4036 1 5 . 1 1 185 185 MET CB C 185 33.405 33.405 37.453 -4.048 19637 4037 1 5 . 1 1 185 185 MET H H 185 9.615 9.615 8.674 0.941 19637 4038 1 5 . 1 1 186 186 PHE N N 186 124.085 124.085 120.294 3.791 19637 4039 1 5 . 1 1 186 186 PHE C C 186 174.816 174.816 174.282 0.534 19637 4040 1 5 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.728 -0.597 19637 4041 1 5 . 1 1 186 186 PHE CB C 186 40.588 40.588 39.655 0.933 19637 4042 1 5 . 1 1 186 186 PHE H H 186 7.976 7.976 7.786 0.190 19637 4043 1 5 . 1 1 187 187 SER N N 187 116.369 116.369 120.004 -3.635 19637 4044 1 5 . 1 1 187 187 SER C C 187 171.305 171.305 172.768 -1.463 19637 4045 1 5 . 1 1 187 187 SER CA C 187 57.348 57.348 56.318 1.030 19637 4046 1 5 . 1 1 187 187 SER CB C 187 66.127 66.127 66.243 -0.116 19637 4047 1 5 . 1 1 187 187 SER H H 187 9.355 9.355 8.799 0.556 19637 4048 1 5 . 1 1 188 188 ALA N N 188 119.248 119.248 122.591 -3.343 19637 4049 1 5 . 1 1 188 188 ALA C C 188 175.996 175.996 176.731 -0.735 19637 4050 1 5 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.810 -1.725 19637 4051 1 5 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.617 0.462 19637 4052 1 5 . 1 1 188 188 ALA H H 188 8.300 8.300 8.576 -0.276 19637 4053 1 5 . 1 1 189 189 GLY N N 189 104.914 104.914 106.748 -1.834 19637 4054 1 5 . 1 1 189 189 GLY C C 189 170.650 170.650 172.354 -1.704 19637 4055 1 5 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.230 -1.184 19637 4056 1 5 . 1 1 189 189 GLY H H 189 9.235 9.235 8.296 0.939 19637 4057 1 5 . 1 1 190 190 TYR N N 190 121.149 121.149 128.005 -6.856 19637 4058 1 5 . 1 1 190 190 TYR C C 190 173.608 173.608 174.530 -0.922 19637 4059 1 5 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.480 -0.349 19637 4060 1 5 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.998 0.364 19637 4061 1 5 . 1 1 190 190 TYR H H 190 8.865 8.865 8.339 0.526 19637 4062 1 5 . 1 1 191 191 ARG N N 191 125.697 125.697 127.743 -2.046 19637 4063 1 5 . 1 1 191 191 ARG CA C 191 53.529 53.529 55.416 -1.887 19637 4064 1 5 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.253 -0.306 19637 4065 1 5 . 1 1 191 191 ARG H H 191 7.469 7.469 7.926 -0.457 19637 4066 1 6 . 1 1 2 2 HIS N N 2 119.214 119.214 115.380 3.834 19637 4067 1 6 . 1 1 2 2 HIS C C 2 171.081 171.081 173.004 -1.923 19637 4068 1 6 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.704 -3.416 19637 4069 1 6 . 1 1 2 2 HIS CB C 2 23.296 23.296 31.245 -7.949 19637 4070 1 6 . 1 1 2 2 HIS H H 2 8.422 8.422 8.193 0.229 19637 4071 1 6 . 1 1 3 3 GLU N N 3 113.500 113.500 116.175 -2.675 19637 4072 1 6 . 1 1 3 3 GLU C C 3 174.619 174.619 174.797 -0.178 19637 4073 1 6 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.734 -2.072 19637 4074 1 6 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.663 -2.248 19637 4075 1 6 . 1 1 3 3 GLU H H 3 6.642 6.642 8.061 -1.419 19637 4076 1 6 . 1 1 4 4 ALA N N 4 120.680 120.680 123.326 -2.646 19637 4077 1 6 . 1 1 4 4 ALA C C 4 178.439 178.439 177.560 0.879 19637 4078 1 6 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.850 -0.474 19637 4079 1 6 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.087 0.356 19637 4080 1 6 . 1 1 4 4 ALA H H 4 8.701 8.701 8.708 -0.007 19637 4081 1 6 . 1 1 5 5 GLY N N 5 112.786 112.786 109.064 3.722 19637 4082 1 6 . 1 1 5 5 GLY C C 5 173.309 173.309 173.827 -0.518 19637 4083 1 6 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.981 -1.428 19637 4084 1 6 . 1 1 5 5 GLY H H 5 9.294 9.294 7.878 1.416 19637 4085 1 6 . 1 1 6 6 GLU N N 6 121.755 121.755 118.814 2.941 19637 4086 1 6 . 1 1 6 6 GLU C C 6 173.693 173.693 175.017 -1.324 19637 4087 1 6 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.881 0.137 19637 4088 1 6 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.754 0.434 19637 4089 1 6 . 1 1 6 6 GLU H H 6 7.955 7.955 7.770 0.185 19637 4090 1 6 . 1 1 7 7 PHE N N 7 124.802 124.802 125.448 -0.646 19637 4091 1 6 . 1 1 7 7 PHE C C 7 174.039 174.039 174.507 -0.468 19637 4092 1 6 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.641 -2.308 19637 4093 1 6 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.871 0.870 19637 4094 1 6 . 1 1 7 7 PHE H H 7 8.648 8.648 8.594 0.054 19637 4095 1 6 . 1 1 8 8 PHE N N 8 121.132 121.132 126.339 -5.207 19637 4096 1 6 . 1 1 8 8 PHE C C 8 171.861 171.861 174.384 -2.523 19637 4097 1 6 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.477 -1.929 19637 4098 1 6 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.067 -3.390 19637 4099 1 6 . 1 1 8 8 PHE H H 8 8.574 8.574 9.380 -0.806 19637 4100 1 6 . 1 1 9 9 MET N N 9 120.391 120.391 120.377 0.014 19637 4101 1 6 . 1 1 9 9 MET C C 9 174.166 174.166 174.862 -0.696 19637 4102 1 6 . 1 1 9 9 MET CA C 9 52.199 52.199 55.724 -3.525 19637 4103 1 6 . 1 1 9 9 MET CB C 9 37.307 37.307 34.995 2.312 19637 4104 1 6 . 1 1 9 9 MET H H 9 8.541 8.541 9.310 -0.769 19637 4105 1 6 . 1 1 10 10 ARG N N 10 117.892 117.892 121.569 -3.677 19637 4106 1 6 . 1 1 10 10 ARG C C 10 175.289 175.289 174.511 0.778 19637 4107 1 6 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.560 -1.114 19637 4108 1 6 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.912 -4.546 19637 4109 1 6 . 1 1 10 10 ARG H H 10 8.357 8.357 8.763 -0.406 19637 4110 1 6 . 1 1 11 11 ALA N N 11 119.664 119.664 120.003 -0.339 19637 4111 1 6 . 1 1 11 11 ALA C C 11 176.057 176.057 174.576 1.481 19637 4112 1 6 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.326 -1.694 19637 4113 1 6 . 1 1 11 11 ALA CB C 11 21.518 21.518 21.779 -0.261 19637 4114 1 6 . 1 1 11 11 ALA H H 11 9.154 9.154 8.246 0.908 19637 4115 1 6 . 1 1 12 12 GLY N N 12 106.262 106.262 106.286 -0.024 19637 4116 1 6 . 1 1 12 12 GLY C C 12 172.068 172.068 172.847 -0.779 19637 4117 1 6 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.809 0.340 19637 4118 1 6 . 1 1 12 12 GLY H H 12 8.655 8.655 8.447 0.208 19637 4119 1 6 . 1 1 13 13 SER N N 13 116.893 116.893 120.143 -3.250 19637 4120 1 6 . 1 1 13 13 SER C C 13 173.604 173.604 173.104 0.500 19637 4121 1 6 . 1 1 13 13 SER CA C 13 56.367 56.367 57.412 -1.045 19637 4122 1 6 . 1 1 13 13 SER CB C 13 64.087 64.087 63.808 0.279 19637 4123 1 6 . 1 1 13 13 SER H H 13 8.644 8.644 8.331 0.313 19637 4124 1 6 . 1 1 14 14 ALA N N 14 125.234 125.234 126.435 -1.201 19637 4125 1 6 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.989 -1.362 19637 4126 1 6 . 1 1 14 14 ALA CB C 14 18.330 18.330 20.204 -1.875 19637 4127 1 6 . 1 1 14 14 ALA H H 14 9.120 9.120 8.246 0.874 19637 4128 1 6 . 1 1 15 15 THR N N 15 121.303 121.303 121.939 -0.636 19637 4129 1 6 . 1 1 15 15 THR C C 15 175.230 175.230 173.999 1.231 19637 4130 1 6 . 1 1 15 15 THR CA C 15 60.895 60.895 61.730 -0.835 19637 4131 1 6 . 1 1 15 15 THR CB C 15 70.029 70.029 69.970 0.059 19637 4132 1 6 . 1 1 15 15 THR H H 15 9.351 9.351 8.695 0.656 19637 4133 1 6 . 1 1 16 16 VAL N N 16 126.781 126.781 123.066 3.715 19637 4134 1 6 . 1 1 16 16 VAL C C 16 174.432 174.432 176.011 -1.579 19637 4135 1 6 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.979 -1.173 19637 4136 1 6 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.180 -1.258 19637 4137 1 6 . 1 1 16 16 VAL H H 16 9.110 9.110 8.776 0.334 19637 4138 1 6 . 1 1 17 17 ARG N N 17 129.806 129.806 127.920 1.886 19637 4139 1 6 . 1 1 17 17 ARG C C 17 173.440 173.440 175.095 -1.655 19637 4140 1 6 . 1 1 17 17 ARG CA C 17 51.407 51.407 53.575 -2.168 19637 4141 1 6 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.851 -0.549 19637 4142 1 6 . 1 1 17 17 ARG H H 17 9.325 9.325 8.745 0.580 19637 4143 1 6 . 1 1 19 19 THR N N 19 114.402 114.402 113.867 0.535 19637 4144 1 6 . 1 1 19 19 THR CA C 19 61.022 61.022 62.627 -1.605 19637 4145 1 6 . 1 1 19 19 THR CB C 19 69.142 69.142 67.305 1.837 19637 4146 1 6 . 1 1 19 19 THR H H 19 8.021 8.021 8.343 -0.322 19637 4147 1 6 . 1 1 20 20 GLU N N 20 123.598 123.598 123.738 -0.140 19637 4148 1 6 . 1 1 20 20 GLU C C 20 177.007 177.007 175.267 1.740 19637 4149 1 6 . 1 1 20 20 GLU CA C 20 55.480 55.480 57.508 -2.028 19637 4150 1 6 . 1 1 20 20 GLU CB C 20 28.794 28.794 28.804 -0.010 19637 4151 1 6 . 1 1 20 20 GLU H H 20 8.601 8.601 8.872 -0.271 19637 4152 1 6 . 1 1 21 21 GLY N N 21 110.237 110.237 109.282 0.955 19637 4153 1 6 . 1 1 21 21 GLY C C 21 174.077 174.077 173.324 0.753 19637 4154 1 6 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.134 -0.473 19637 4155 1 6 . 1 1 21 21 GLY H H 21 8.530 8.530 7.992 0.538 19637 4156 1 6 . 1 1 22 22 ALA N N 22 123.476 123.476 127.269 -3.793 19637 4157 1 6 . 1 1 22 22 ALA C C 22 178.158 178.158 176.923 1.235 19637 4158 1 6 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.605 0.150 19637 4159 1 6 . 1 1 22 22 ALA CB C 22 17.778 17.778 17.369 0.409 19637 4160 1 6 . 1 1 22 22 ALA H H 22 8.279 8.279 8.531 -0.252 19637 4161 1 6 . 1 1 23 23 GLY N N 23 107.265 107.265 109.399 -2.134 19637 4162 1 6 . 1 1 23 23 GLY C C 23 174.727 174.727 174.545 0.182 19637 4163 1 6 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.026 -0.586 19637 4164 1 6 . 1 1 23 23 GLY H H 23 8.452 8.452 7.872 0.580 19637 4165 1 6 . 1 1 24 24 GLY N N 24 108.306 108.306 110.045 -1.739 19637 4166 1 6 . 1 1 24 24 GLY C C 24 174.786 174.786 174.468 0.318 19637 4167 1 6 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.580 -0.140 19637 4168 1 6 . 1 1 24 24 GLY H H 24 8.221 8.221 7.988 0.233 19637 4169 1 6 . 1 1 25 25 THR N N 25 114.381 114.381 111.540 2.841 19637 4170 1 6 . 1 1 25 25 THR C C 25 175.170 175.170 176.272 -1.102 19637 4171 1 6 . 1 1 25 25 THR CA C 25 61.599 61.599 61.987 -0.388 19637 4172 1 6 . 1 1 25 25 THR CB C 25 68.521 68.521 69.413 -0.892 19637 4173 1 6 . 1 1 25 25 THR H H 25 8.213 8.213 7.978 0.235 19637 4174 1 6 . 1 1 26 26 LEU N N 26 123.038 123.038 123.399 -0.361 19637 4175 1 6 . 1 1 26 26 LEU C C 26 177.918 177.918 177.721 0.197 19637 4176 1 6 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.757 -1.075 19637 4177 1 6 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.821 -1.676 19637 4178 1 6 . 1 1 26 26 LEU H H 26 8.425 8.425 7.678 0.747 19637 4179 1 6 . 1 1 27 27 GLY N N 27 108.786 108.786 106.033 2.753 19637 4180 1 6 . 1 1 27 27 GLY C C 27 175.023 175.023 173.470 1.553 19637 4181 1 6 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.523 0.316 19637 4182 1 6 . 1 1 27 27 GLY H H 27 8.260 8.260 8.130 0.130 19637 4183 1 6 . 1 1 28 28 SER N N 28 116.175 116.175 114.898 1.277 19637 4184 1 6 . 1 1 28 28 SER CA C 28 58.140 58.140 57.942 0.198 19637 4185 1 6 . 1 1 28 28 SER CB C 28 62.846 62.846 64.397 -1.550 19637 4186 1 6 . 1 1 28 28 SER H H 28 8.330 8.330 8.432 -0.102 19637 4187 1 6 . 1 1 29 29 LEU N N 29 122.260 122.260 123.209 -0.949 19637 4188 1 6 . 1 1 29 29 LEU C C 29 177.512 177.512 176.182 1.330 19637 4189 1 6 . 1 1 29 29 LEU CA C 29 54.416 54.416 56.071 -1.655 19637 4190 1 6 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.465 -3.143 19637 4191 1 6 . 1 1 29 29 LEU H H 29 8.157 8.157 8.253 -0.096 19637 4192 1 6 . 1 1 30 30 GLY N N 30 107.575 107.575 109.869 -2.294 19637 4193 1 6 . 1 1 30 30 GLY C C 30 174.225 174.225 175.207 -0.982 19637 4194 1 6 . 1 1 30 30 GLY CA C 30 44.528 44.528 45.106 -0.578 19637 4195 1 6 . 1 1 30 30 GLY H H 30 8.144 8.144 9.630 -1.486 19637 4196 1 6 . 1 1 31 31 GLY N N 31 107.996 107.996 106.989 1.007 19637 4197 1 6 . 1 1 31 31 GLY C C 31 173.664 173.664 173.222 0.442 19637 4198 1 6 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.886 -0.668 19637 4199 1 6 . 1 1 31 31 GLY H H 31 8.044 8.044 8.293 -0.249 19637 4200 1 6 . 1 1 32 32 PHE N N 32 119.248 119.248 120.422 -1.174 19637 4201 1 6 . 1 1 32 32 PHE C C 32 175.495 175.495 173.580 1.915 19637 4202 1 6 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.072 -0.699 19637 4203 1 6 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.775 -2.517 19637 4204 1 6 . 1 1 32 32 PHE H H 32 8.181 8.181 7.906 0.275 19637 4205 1 6 . 1 1 33 33 SER N N 33 117.720 117.720 122.076 -4.356 19637 4206 1 6 . 1 1 33 33 SER C C 33 173.368 173.368 172.299 1.069 19637 4207 1 6 . 1 1 33 33 SER CA C 33 55.746 55.746 57.811 -2.065 19637 4208 1 6 . 1 1 33 33 SER CB C 33 64.265 64.265 64.594 -0.329 19637 4209 1 6 . 1 1 33 33 SER H H 33 8.771 8.771 8.808 -0.037 19637 4210 1 6 . 1 1 34 34 VAL N N 34 123.007 123.007 125.393 -2.386 19637 4211 1 6 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.784 -1.358 19637 4212 1 6 . 1 1 34 34 VAL CB C 34 32.785 32.785 35.520 -2.735 19637 4213 1 6 . 1 1 34 34 VAL H H 34 8.525 8.525 8.299 0.226 19637 4214 1 6 . 1 1 35 35 THR N N 35 115.459 115.459 119.030 -3.571 19637 4215 1 6 . 1 1 35 35 THR CA C 35 61.200 61.200 62.025 -0.825 19637 4216 1 6 . 1 1 35 35 THR CB C 35 69.851 69.851 69.373 0.478 19637 4217 1 6 . 1 1 35 35 THR H H 35 8.147 8.147 8.251 -0.104 19637 4218 1 6 . 1 1 36 36 ASN N N 36 118.274 118.274 121.065 -2.791 19637 4219 1 6 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.773 -1.366 19637 4220 1 6 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.295 -1.190 19637 4221 1 6 . 1 1 36 36 ASN H H 36 8.719 8.719 8.460 0.259 19637 4222 1 6 . 1 1 37 37 ASN N N 37 115.657 115.657 118.400 -2.743 19637 4223 1 6 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.274 1.591 19637 4224 1 6 . 1 1 37 37 ASN CB C 37 44.312 44.312 38.618 5.694 19637 4225 1 6 . 1 1 37 37 ASN H H 37 8.432 8.432 8.550 -0.118 19637 4226 1 6 . 1 1 38 38 THR N N 38 122.444 122.444 119.909 2.535 19637 4227 1 6 . 1 1 38 38 THR CA C 38 61.288 61.288 62.123 -0.835 19637 4228 1 6 . 1 1 38 38 THR CB C 38 69.142 69.142 69.199 -0.057 19637 4229 1 6 . 1 1 38 38 THR H H 38 8.095 8.095 8.679 -0.584 19637 4230 1 6 . 1 1 40 40 LEU N N 40 120.457 120.457 119.853 0.604 19637 4231 1 6 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.072 -0.745 19637 4232 1 6 . 1 1 40 40 LEU CB C 40 41.218 41.218 44.986 -3.768 19637 4233 1 6 . 1 1 40 40 LEU H H 40 6.902 6.902 8.179 -1.277 19637 4234 1 6 . 1 1 41 41 GLY N N 41 111.223 111.223 111.669 -0.446 19637 4235 1 6 . 1 1 41 41 GLY C C 41 171.034 171.034 171.986 -0.952 19637 4236 1 6 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.525 -1.681 19637 4237 1 6 . 1 1 41 41 GLY H H 41 8.978 8.978 8.526 0.452 19637 4238 1 6 . 1 1 42 42 LEU N N 42 122.123 122.123 117.090 5.033 19637 4239 1 6 . 1 1 42 42 LEU C C 42 175.350 175.350 174.994 0.356 19637 4240 1 6 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.267 -1.112 19637 4241 1 6 . 1 1 42 42 LEU CB C 42 45.377 45.377 44.625 0.752 19637 4242 1 6 . 1 1 42 42 LEU H H 42 8.679 8.679 8.153 0.526 19637 4243 1 6 . 1 1 43 43 THR N N 43 109.917 109.917 111.230 -1.313 19637 4244 1 6 . 1 1 43 43 THR C C 43 173.516 173.516 173.007 0.509 19637 4245 1 6 . 1 1 43 43 THR CA C 43 58.057 58.057 60.160 -2.103 19637 4246 1 6 . 1 1 43 43 THR CB C 43 70.029 70.029 72.547 -2.518 19637 4247 1 6 . 1 1 43 43 THR H H 43 8.792 8.792 8.639 0.153 19637 4248 1 6 . 1 1 44 44 PHE N N 44 118.699 118.699 121.170 -2.471 19637 4249 1 6 . 1 1 44 44 PHE C C 44 173.917 173.917 175.634 -1.717 19637 4250 1 6 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.729 -1.249 19637 4251 1 6 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.812 -1.047 19637 4252 1 6 . 1 1 44 44 PHE H H 44 8.566 8.566 8.852 -0.286 19637 4253 1 6 . 1 1 45 45 THR N N 45 118.229 118.229 121.699 -3.470 19637 4254 1 6 . 1 1 45 45 THR C C 45 170.886 170.886 172.748 -1.862 19637 4255 1 6 . 1 1 45 45 THR CA C 45 60.097 60.097 62.916 -2.819 19637 4256 1 6 . 1 1 45 45 THR CB C 45 68.433 68.433 69.703 -1.270 19637 4257 1 6 . 1 1 45 45 THR H H 45 7.903 7.903 9.231 -1.328 19637 4258 1 6 . 1 1 46 46 TYR N N 46 124.450 124.450 128.155 -3.705 19637 4259 1 6 . 1 1 46 46 TYR C C 46 174.254 174.254 173.811 0.443 19637 4260 1 6 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.337 -2.188 19637 4261 1 6 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.746 0.527 19637 4262 1 6 . 1 1 46 46 TYR H H 46 8.941 8.941 8.922 0.019 19637 4263 1 6 . 1 1 47 47 MET N N 47 123.598 123.598 126.296 -2.698 19637 4264 1 6 . 1 1 47 47 MET C C 47 175.082 175.082 175.156 -0.074 19637 4265 1 6 . 1 1 47 47 MET CA C 47 50.425 50.425 55.005 -4.580 19637 4266 1 6 . 1 1 47 47 MET CB C 47 26.222 26.222 33.895 -7.673 19637 4267 1 6 . 1 1 47 47 MET H H 47 7.798 7.798 8.066 -0.268 19637 4268 1 6 . 1 1 48 48 ALA N N 48 129.975 129.975 126.820 3.155 19637 4269 1 6 . 1 1 48 48 ALA C C 48 178.568 178.568 177.061 1.507 19637 4270 1 6 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.825 -0.520 19637 4271 1 6 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.694 -1.982 19637 4272 1 6 . 1 1 48 48 ALA H H 48 8.717 8.717 8.683 0.034 19637 4273 1 6 . 1 1 49 49 THR N N 49 106.011 106.011 107.014 -1.003 19637 4274 1 6 . 1 1 49 49 THR C C 49 171.950 171.950 173.343 -1.393 19637 4275 1 6 . 1 1 49 49 THR CA C 49 57.786 57.786 62.131 -4.345 19637 4276 1 6 . 1 1 49 49 THR CB C 49 70.535 70.535 68.691 1.844 19637 4277 1 6 . 1 1 49 49 THR H H 49 8.072 8.072 7.938 0.134 19637 4278 1 6 . 1 1 50 50 ASP N N 50 114.062 114.062 121.564 -7.502 19637 4279 1 6 . 1 1 50 50 ASP C C 50 175.318 175.318 174.994 0.324 19637 4280 1 6 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.125 0.651 19637 4281 1 6 . 1 1 50 50 ASP CB C 50 39.790 39.790 41.035 -1.245 19637 4282 1 6 . 1 1 50 50 ASP H H 50 8.390 8.390 8.061 0.329 19637 4283 1 6 . 1 1 51 51 ASN N N 51 111.850 111.850 114.506 -2.656 19637 4284 1 6 . 1 1 51 51 ASN C C 51 171.684 171.684 173.426 -1.742 19637 4285 1 6 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.089 0.327 19637 4286 1 6 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.066 3.167 19637 4287 1 6 . 1 1 51 51 ASN H H 51 7.887 7.887 8.547 -0.660 19637 4288 1 6 . 1 1 52 52 ILE N N 52 118.929 118.929 112.248 6.681 19637 4289 1 6 . 1 1 52 52 ILE C C 52 175.495 175.495 175.012 0.483 19637 4290 1 6 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.288 0.360 19637 4291 1 6 . 1 1 52 52 ILE CB C 52 37.484 37.484 39.498 -2.014 19637 4292 1 6 . 1 1 52 52 ILE H H 52 7.707 7.707 7.420 0.287 19637 4293 1 6 . 1 1 53 53 GLY N N 53 114.998 114.998 114.667 0.331 19637 4294 1 6 . 1 1 53 53 GLY C C 53 171.536 171.536 172.878 -1.342 19637 4295 1 6 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.522 -0.590 19637 4296 1 6 . 1 1 53 53 GLY H H 53 8.678 8.678 8.971 -0.293 19637 4297 1 6 . 1 1 54 54 VAL N N 54 118.327 118.327 124.684 -6.357 19637 4298 1 6 . 1 1 54 54 VAL C C 54 173.309 173.309 174.707 -1.398 19637 4299 1 6 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.213 -1.565 19637 4300 1 6 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.613 -0.740 19637 4301 1 6 . 1 1 54 54 VAL H H 54 8.734 8.734 8.591 0.143 19637 4302 1 6 . 1 1 55 55 GLU N N 55 126.907 126.907 126.863 0.044 19637 4303 1 6 . 1 1 55 55 GLU C C 55 173.575 173.575 175.144 -1.569 19637 4304 1 6 . 1 1 55 55 GLU CA C 55 53.269 53.269 53.743 -0.474 19637 4305 1 6 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.150 1.577 19637 4306 1 6 . 1 1 55 55 GLU H H 55 9.084 9.084 9.371 -0.287 19637 4307 1 6 . 1 1 56 56 LEU N N 56 126.739 126.739 123.752 2.987 19637 4308 1 6 . 1 1 56 56 LEU C C 56 174.786 174.786 176.056 -1.270 19637 4309 1 6 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.572 -1.639 19637 4310 1 6 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.618 1.404 19637 4311 1 6 . 1 1 56 56 LEU H H 56 9.168 9.168 8.928 0.240 19637 4312 1 6 . 1 1 57 57 LEU N N 57 127.189 127.189 125.786 1.403 19637 4313 1 6 . 1 1 57 57 LEU C C 57 174.579 174.579 174.593 -0.014 19637 4314 1 6 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.289 -1.198 19637 4315 1 6 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.044 -0.884 19637 4316 1 6 . 1 1 57 57 LEU H H 57 9.174 9.174 8.658 0.516 19637 4317 1 6 . 1 1 58 58 ALA N N 58 125.061 125.061 127.652 -2.591 19637 4318 1 6 . 1 1 58 58 ALA C C 58 172.925 172.925 175.101 -2.176 19637 4319 1 6 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.819 -1.895 19637 4320 1 6 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.659 -1.580 19637 4321 1 6 . 1 1 58 58 ALA H H 58 9.435 9.435 8.793 0.642 19637 4322 1 6 . 1 1 59 59 ALA N N 59 116.911 116.911 122.266 -5.355 19637 4323 1 6 . 1 1 59 59 ALA C C 59 176.248 176.248 175.803 0.445 19637 4324 1 6 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.723 -1.652 19637 4325 1 6 . 1 1 59 59 ALA CB C 59 19.659 19.659 19.959 -0.300 19637 4326 1 6 . 1 1 59 59 ALA H H 59 6.833 6.833 8.073 -1.240 19637 4327 1 6 . 1 1 60 60 THR N N 60 105.771 105.771 115.291 -9.520 19637 4328 1 6 . 1 1 60 60 THR C C 60 170.975 170.975 174.082 -3.107 19637 4329 1 6 . 1 1 60 60 THR CA C 60 59.515 59.515 60.614 -1.099 19637 4330 1 6 . 1 1 60 60 THR CB C 60 63.487 63.487 69.488 -6.001 19637 4331 1 6 . 1 1 60 60 THR H H 60 7.718 7.718 8.521 -0.803 19637 4332 1 6 . 1 1 62 62 PHE N N 62 122.473 122.473 115.859 6.614 19637 4333 1 6 . 1 1 62 62 PHE C C 62 174.934 174.934 174.491 0.443 19637 4334 1 6 . 1 1 62 62 PHE CA C 62 56.721 56.721 56.087 0.634 19637 4335 1 6 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.410 -0.797 19637 4336 1 6 . 1 1 62 62 PHE H H 62 8.251 8.251 7.432 0.819 19637 4337 1 6 . 1 1 63 63 ARG N N 63 118.016 118.016 122.807 -4.791 19637 4338 1 6 . 1 1 63 63 ARG C C 63 174.423 174.423 174.209 0.214 19637 4339 1 6 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.957 -3.309 19637 4340 1 6 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.979 -1.081 19637 4341 1 6 . 1 1 63 63 ARG H H 63 7.378 7.378 8.593 -1.215 19637 4342 1 6 . 1 1 64 64 HIS N N 64 120.040 120.040 121.126 -1.086 19637 4343 1 6 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.799 -2.846 19637 4344 1 6 . 1 1 64 64 HIS H H 64 8.588 8.588 8.731 -0.143 19637 4345 1 6 . 1 1 66 66 ILE N N 66 122.668 122.668 124.736 -2.068 19637 4346 1 6 . 1 1 66 66 ILE C C 66 175.141 175.141 174.946 0.195 19637 4347 1 6 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.122 -1.159 19637 4348 1 6 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.236 -0.599 19637 4349 1 6 . 1 1 66 66 ILE H H 66 8.726 8.726 8.075 0.651 19637 4350 1 6 . 1 1 67 67 GLY N N 67 114.948 114.948 117.292 -2.344 19637 4351 1 6 . 1 1 67 67 GLY C C 67 172.570 172.570 173.323 -0.753 19637 4352 1 6 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.425 -0.296 19637 4353 1 6 . 1 1 67 67 GLY H H 67 8.780 8.780 8.341 0.439 19637 4354 1 6 . 1 1 68 68 THR N N 68 106.079 106.079 115.765 -9.686 19637 4355 1 6 . 1 1 68 68 THR C C 68 175.574 175.574 173.019 2.555 19637 4356 1 6 . 1 1 68 68 THR CA C 68 58.672 58.672 61.654 -2.982 19637 4357 1 6 . 1 1 68 68 THR CB C 68 71.270 71.270 70.680 0.590 19637 4358 1 6 . 1 1 68 68 THR H H 68 7.431 7.431 7.962 -0.531 19637 4359 1 6 . 1 1 69 69 ARG N N 69 122.303 122.303 121.637 0.666 19637 4360 1 6 . 1 1 69 69 ARG C C 69 178.298 178.298 176.781 1.517 19637 4361 1 6 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.109 1.120 19637 4362 1 6 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.026 -1.853 19637 4363 1 6 . 1 1 69 69 ARG H H 69 8.783 8.783 8.807 -0.024 19637 4364 1 6 . 1 1 70 70 ALA N N 70 117.681 117.681 125.447 -7.766 19637 4365 1 6 . 1 1 70 70 ALA C C 70 179.281 179.281 178.299 0.982 19637 4366 1 6 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.520 -1.251 19637 4367 1 6 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.256 -0.281 19637 4368 1 6 . 1 1 70 70 ALA H H 70 8.262 8.262 8.658 -0.396 19637 4369 1 6 . 1 1 71 71 THR N N 71 105.486 105.486 110.455 -4.969 19637 4370 1 6 . 1 1 71 71 THR C C 71 176.136 176.136 175.781 0.355 19637 4371 1 6 . 1 1 71 71 THR CA C 71 60.895 60.895 62.556 -1.661 19637 4372 1 6 . 1 1 71 71 THR CB C 71 70.383 70.383 69.029 1.354 19637 4373 1 6 . 1 1 71 71 THR H H 71 7.473 7.473 7.637 -0.164 19637 4374 1 6 . 1 1 72 72 GLY N N 72 111.099 111.099 110.006 1.093 19637 4375 1 6 . 1 1 72 72 GLY C C 72 175.052 175.052 174.426 0.626 19637 4376 1 6 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.255 -1.209 19637 4377 1 6 . 1 1 72 72 GLY H H 72 8.194 8.194 7.869 0.325 19637 4378 1 6 . 1 1 73 73 ASP N N 73 121.919 121.919 119.724 2.195 19637 4379 1 6 . 1 1 73 73 ASP C C 73 177.889 177.889 176.173 1.716 19637 4380 1 6 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.529 -1.487 19637 4381 1 6 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.536 -1.012 19637 4382 1 6 . 1 1 73 73 ASP H H 73 8.668 8.668 7.985 0.683 19637 4383 1 6 . 1 1 74 74 ILE N N 74 117.113 117.113 119.122 -2.009 19637 4384 1 6 . 1 1 74 74 ILE C C 74 175.013 175.013 174.399 0.614 19637 4385 1 6 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.962 -2.048 19637 4386 1 6 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.599 4.698 19637 4387 1 6 . 1 1 74 74 ILE H H 74 9.327 9.327 8.209 1.118 19637 4388 1 6 . 1 1 75 75 ALA N N 75 121.329 121.329 129.484 -8.155 19637 4389 1 6 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.896 -0.471 19637 4390 1 6 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.547 -0.023 19637 4391 1 6 . 1 1 75 75 ALA H H 75 8.086 8.086 8.023 0.063 19637 4392 1 6 . 1 1 76 76 THR N N 76 116.168 116.168 115.477 0.691 19637 4393 1 6 . 1 1 76 76 THR C C 76 173.043 173.043 173.322 -0.279 19637 4394 1 6 . 1 1 76 76 THR CA C 76 60.540 60.540 62.949 -2.409 19637 4395 1 6 . 1 1 76 76 THR CB C 76 69.674 69.674 69.019 0.655 19637 4396 1 6 . 1 1 76 76 THR H H 76 8.539 8.539 8.093 0.446 19637 4397 1 6 . 1 1 77 77 VAL N N 77 117.996 117.996 126.540 -8.544 19637 4398 1 6 . 1 1 77 77 VAL C C 77 174.964 174.964 173.620 1.344 19637 4399 1 6 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.618 -3.270 19637 4400 1 6 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.172 -0.146 19637 4401 1 6 . 1 1 77 77 VAL H H 77 8.578 8.578 8.287 0.291 19637 4402 1 6 . 1 1 78 78 HIS N N 78 116.541 116.541 126.462 -9.921 19637 4403 1 6 . 1 1 78 78 HIS C C 78 173.634 173.634 172.665 0.969 19637 4404 1 6 . 1 1 78 78 HIS CA C 78 52.825 52.825 56.132 -3.307 19637 4405 1 6 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.436 -2.489 19637 4406 1 6 . 1 1 78 78 HIS H H 78 7.822 7.822 8.529 -0.707 19637 4407 1 6 . 1 1 79 79 HIS N N 79 113.176 113.176 119.446 -6.270 19637 4408 1 6 . 1 1 79 79 HIS C C 79 173.841 173.841 172.858 0.983 19637 4409 1 6 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.299 0.117 19637 4410 1 6 . 1 1 79 79 HIS CB C 79 34.026 34.026 33.032 0.994 19637 4411 1 6 . 1 1 79 79 HIS H H 79 7.912 7.912 8.028 -0.116 19637 4412 1 6 . 1 1 80 80 LEU N N 80 118.153 118.153 120.865 -2.712 19637 4413 1 6 . 1 1 80 80 LEU C C 80 177.821 177.821 175.866 1.955 19637 4414 1 6 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.775 -2.616 19637 4415 1 6 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.288 2.975 19637 4416 1 6 . 1 1 80 80 LEU H H 80 8.205 8.205 8.738 -0.533 19637 4417 1 6 . 1 1 83 83 THR N N 83 115.326 115.326 114.040 1.286 19637 4418 1 6 . 1 1 83 83 THR C C 83 171.362 171.362 173.209 -1.847 19637 4419 1 6 . 1 1 83 83 THR CA C 83 60.540 60.540 59.493 1.047 19637 4420 1 6 . 1 1 83 83 THR CB C 83 72.068 72.068 72.284 -0.216 19637 4421 1 6 . 1 1 83 83 THR H H 83 7.688 7.688 8.328 -0.640 19637 4422 1 6 . 1 1 84 84 LEU N N 84 129.848 129.848 124.323 5.525 19637 4423 1 6 . 1 1 84 84 LEU C C 84 174.373 174.373 174.842 -0.469 19637 4424 1 6 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.155 -1.734 19637 4425 1 6 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.059 0.697 19637 4426 1 6 . 1 1 84 84 LEU H H 84 9.013 9.013 8.457 0.556 19637 4427 1 6 . 1 1 85 85 MET N N 85 121.374 121.374 124.358 -2.984 19637 4428 1 6 . 1 1 85 85 MET C C 85 175.407 175.407 173.624 1.783 19637 4429 1 6 . 1 1 85 85 MET CA C 85 52.421 52.421 54.130 -1.708 19637 4430 1 6 . 1 1 85 85 MET CB C 85 34.558 34.558 35.613 -1.055 19637 4431 1 6 . 1 1 85 85 MET H H 85 9.823 9.823 8.919 0.904 19637 4432 1 6 . 1 1 86 86 ALA N N 86 123.689 123.689 128.192 -4.503 19637 4433 1 6 . 1 1 86 86 ALA C C 86 176.205 176.205 175.805 0.400 19637 4434 1 6 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.016 -0.211 19637 4435 1 6 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.918 -2.967 19637 4436 1 6 . 1 1 86 86 ALA H H 86 9.080 9.080 9.021 0.059 19637 4437 1 6 . 1 1 87 87 GLN N N 87 116.548 116.548 119.978 -3.430 19637 4438 1 6 . 1 1 87 87 GLN C C 87 175.495 175.495 174.133 1.362 19637 4439 1 6 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.224 -0.866 19637 4440 1 6 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.260 1.032 19637 4441 1 6 . 1 1 87 87 GLN H H 87 9.061 9.061 9.048 0.013 19637 4442 1 6 . 1 1 88 88 TRP N N 88 119.609 119.609 124.470 -4.861 19637 4443 1 6 . 1 1 88 88 TRP C C 88 174.727 174.727 173.869 0.858 19637 4444 1 6 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.033 -1.079 19637 4445 1 6 . 1 1 88 88 TRP CB C 88 30.479 30.479 32.876 -2.397 19637 4446 1 6 . 1 1 88 88 TRP H H 88 8.893 8.893 8.918 -0.025 19637 4447 1 6 . 1 1 89 89 TYR N N 89 124.849 124.849 125.191 -0.342 19637 4448 1 6 . 1 1 89 89 TYR C C 89 176.382 176.382 174.487 1.895 19637 4449 1 6 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.102 -1.060 19637 4450 1 6 . 1 1 89 89 TYR H H 89 8.815 8.815 7.657 1.158 19637 4451 1 6 . 1 1 90 90 PHE N N 90 122.137 122.137 122.477 -0.340 19637 4452 1 6 . 1 1 90 90 PHE C C 90 176.304 176.304 175.476 0.828 19637 4453 1 6 . 1 1 90 90 PHE CA C 90 57.821 57.821 60.680 -2.859 19637 4454 1 6 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.677 -1.217 19637 4455 1 6 . 1 1 90 90 PHE H H 90 9.171 9.171 8.810 0.361 19637 4456 1 6 . 1 1 91 91 GLY N N 91 108.961 108.961 103.403 5.558 19637 4457 1 6 . 1 1 91 91 GLY C C 91 172.748 172.748 173.077 -0.329 19637 4458 1 6 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.173 0.158 19637 4459 1 6 . 1 1 91 91 GLY H H 91 9.342 9.342 7.543 1.799 19637 4460 1 6 . 1 1 92 92 ASP N N 92 119.869 119.869 120.392 -0.523 19637 4461 1 6 . 1 1 92 92 ASP C C 92 175.968 175.968 175.074 0.894 19637 4462 1 6 . 1 1 92 92 ASP CA C 92 51.622 51.622 53.255 -1.633 19637 4463 1 6 . 1 1 92 92 ASP CB C 92 41.563 41.563 39.764 1.799 19637 4464 1 6 . 1 1 92 92 ASP H H 92 8.612 8.612 8.383 0.229 19637 4465 1 6 . 1 1 93 93 ALA N N 93 117.665 117.665 124.348 -6.683 19637 4466 1 6 . 1 1 93 93 ALA C C 93 178.748 178.748 177.362 1.386 19637 4467 1 6 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.449 1.731 19637 4468 1 6 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.504 -3.593 19637 4469 1 6 . 1 1 93 93 ALA H H 93 8.673 8.673 7.371 1.302 19637 4470 1 6 . 1 1 94 94 SER N N 94 115.062 115.062 113.836 1.226 19637 4471 1 6 . 1 1 94 94 SER C C 94 175.348 175.348 173.953 1.395 19637 4472 1 6 . 1 1 94 94 SER CA C 94 58.185 58.185 60.004 -1.819 19637 4473 1 6 . 1 1 94 94 SER CB C 94 62.757 62.757 62.714 0.043 19637 4474 1 6 . 1 1 94 94 SER H H 94 8.902 8.902 8.546 0.356 19637 4475 1 6 . 1 1 95 95 SER N N 95 120.754 120.754 115.770 4.984 19637 4476 1 6 . 1 1 95 95 SER CA C 95 58.451 58.451 59.681 -1.230 19637 4477 1 6 . 1 1 95 95 SER CB C 95 62.580 62.580 62.562 0.018 19637 4478 1 6 . 1 1 95 95 SER H H 95 7.922 7.922 8.467 -0.545 19637 4479 1 6 . 1 1 96 96 LYS N N 96 120.924 120.924 116.298 4.626 19637 4480 1 6 . 1 1 96 96 LYS CA C 96 54.599 54.599 57.401 -2.802 19637 4481 1 6 . 1 1 96 96 LYS CB C 96 31.366 31.366 34.265 -2.899 19637 4482 1 6 . 1 1 96 96 LYS H H 96 8.555 8.555 8.542 0.013 19637 4483 1 6 . 1 1 97 97 PHE N N 97 117.773 117.773 115.535 2.238 19637 4484 1 6 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.047 -1.359 19637 4485 1 6 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.634 -0.312 19637 4486 1 6 . 1 1 97 97 PHE H H 97 7.596 7.596 7.359 0.237 19637 4487 1 6 . 1 1 98 98 ARG N N 98 120.982 120.982 118.293 2.689 19637 4488 1 6 . 1 1 98 98 ARG C C 98 173.047 173.047 173.402 -0.355 19637 4489 1 6 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.771 -1.300 19637 4490 1 6 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.628 0.004 19637 4491 1 6 . 1 1 98 98 ARG H H 98 8.823 8.823 8.954 -0.131 19637 4492 1 6 . 1 1 100 100 TYR N N 100 117.775 117.775 117.110 0.665 19637 4493 1 6 . 1 1 100 100 TYR C C 100 173.047 173.047 174.318 -1.271 19637 4494 1 6 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.885 -2.931 19637 4495 1 6 . 1 1 100 100 TYR CB C 100 39.524 39.524 41.545 -2.021 19637 4496 1 6 . 1 1 100 100 TYR H H 100 8.885 8.885 8.592 0.293 19637 4497 1 6 . 1 1 101 101 VAL N N 101 111.744 111.744 126.877 -15.133 19637 4498 1 6 . 1 1 101 101 VAL C C 101 173.457 173.457 175.892 -2.435 19637 4499 1 6 . 1 1 101 101 VAL CA C 101 57.105 57.105 62.835 -5.730 19637 4500 1 6 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.184 3.196 19637 4501 1 6 . 1 1 101 101 VAL H H 101 8.365 8.365 8.455 -0.090 19637 4502 1 6 . 1 1 102 102 GLY N N 102 108.300 108.300 115.807 -7.507 19637 4503 1 6 . 1 1 102 102 GLY C C 102 171.241 171.241 172.674 -1.433 19637 4504 1 6 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.754 1.218 19637 4505 1 6 . 1 1 102 102 GLY H H 102 8.271 8.271 8.471 -0.200 19637 4506 1 6 . 1 1 103 103 ALA N N 103 120.836 120.836 123.954 -3.118 19637 4507 1 6 . 1 1 103 103 ALA C C 103 175.614 175.614 175.314 0.300 19637 4508 1 6 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.436 -2.603 19637 4509 1 6 . 1 1 103 103 ALA CB C 103 21.718 21.718 20.927 0.791 19637 4510 1 6 . 1 1 103 103 ALA H H 103 9.048 9.048 8.381 0.667 19637 4511 1 6 . 1 1 104 104 GLY N N 104 107.477 107.477 110.108 -2.631 19637 4512 1 6 . 1 1 104 104 GLY C C 104 171.832 171.832 171.699 0.133 19637 4513 1 6 . 1 1 104 104 GLY CA C 104 46.479 46.479 45.697 0.782 19637 4514 1 6 . 1 1 104 104 GLY H H 104 8.661 8.661 8.905 -0.244 19637 4515 1 6 . 1 1 105 105 ILE N N 105 118.575 118.575 115.524 3.051 19637 4516 1 6 . 1 1 105 105 ILE C C 105 172.275 172.275 173.078 -0.803 19637 4517 1 6 . 1 1 105 105 ILE CA C 105 57.348 57.348 58.836 -1.488 19637 4518 1 6 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.597 0.055 19637 4519 1 6 . 1 1 105 105 ILE H H 105 9.020 9.020 8.572 0.448 19637 4520 1 6 . 1 1 106 106 ASN N N 106 123.879 123.879 123.404 0.475 19637 4521 1 6 . 1 1 106 106 ASN C C 106 171.418 171.418 173.789 -2.371 19637 4522 1 6 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.060 0.524 19637 4523 1 6 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.171 0.683 19637 4524 1 6 . 1 1 106 106 ASN H H 106 9.659 9.659 8.253 1.406 19637 4525 1 6 . 1 1 107 107 TYR N N 107 125.744 125.744 123.516 2.228 19637 4526 1 6 . 1 1 107 107 TYR C C 107 173.073 173.073 175.506 -2.433 19637 4527 1 6 . 1 1 107 107 TYR CA C 107 54.504 54.504 55.563 -1.059 19637 4528 1 6 . 1 1 107 107 TYR CB C 107 40.854 40.854 37.451 3.403 19637 4529 1 6 . 1 1 107 107 TYR H H 107 8.273 8.273 7.973 0.300 19637 4530 1 6 . 1 1 108 108 THR N N 108 119.337 119.337 116.922 2.415 19637 4531 1 6 . 1 1 108 108 THR C C 108 172.457 172.457 173.284 -0.827 19637 4532 1 6 . 1 1 108 108 THR CA C 108 60.452 60.452 61.250 -0.798 19637 4533 1 6 . 1 1 108 108 THR CB C 108 69.319 69.319 70.815 -1.496 19637 4534 1 6 . 1 1 108 108 THR H H 108 8.446 8.446 8.931 -0.485 19637 4535 1 6 . 1 1 109 109 THR N N 109 118.655 118.655 119.969 -1.314 19637 4536 1 6 . 1 1 109 109 THR C C 109 171.625 171.625 172.796 -1.171 19637 4537 1 6 . 1 1 109 109 THR CA C 109 56.810 56.810 62.184 -5.374 19637 4538 1 6 . 1 1 109 109 THR H H 109 7.548 7.548 8.484 -0.936 19637 4539 1 6 . 1 1 112 112 ASP N N 112 116.796 116.796 121.922 -5.126 19637 4540 1 6 . 1 1 112 112 ASP C C 112 175.490 175.490 176.419 -0.929 19637 4541 1 6 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.511 -0.627 19637 4542 1 6 . 1 1 112 112 ASP CB C 112 37.662 37.662 41.633 -3.970 19637 4543 1 6 . 1 1 112 112 ASP H H 112 8.995 8.995 8.276 0.719 19637 4544 1 6 . 1 1 113 113 ASN N N 113 117.801 117.801 120.375 -2.574 19637 4545 1 6 . 1 1 113 113 ASN C C 113 175.702 175.702 175.812 -0.110 19637 4546 1 6 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.771 -3.035 19637 4547 1 6 . 1 1 113 113 ASN CB C 113 39.348 39.348 38.866 0.482 19637 4548 1 6 . 1 1 113 113 ASN H H 113 8.410 8.410 8.596 -0.186 19637 4549 1 6 . 1 1 114 114 GLY N N 114 107.744 107.744 107.227 0.517 19637 4550 1 6 . 1 1 114 114 GLY C C 114 171.979 171.979 174.101 -2.122 19637 4551 1 6 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.030 -0.236 19637 4552 1 6 . 1 1 114 114 GLY H H 114 8.557 8.557 7.870 0.687 19637 4553 1 6 . 1 1 115 115 PHE N N 115 119.554 119.554 118.563 0.991 19637 4554 1 6 . 1 1 115 115 PHE C C 115 176.192 176.192 174.772 1.420 19637 4555 1 6 . 1 1 115 115 PHE CA C 115 57.490 57.490 55.436 2.054 19637 4556 1 6 . 1 1 115 115 PHE CB C 115 39.081 39.081 40.516 -1.435 19637 4557 1 6 . 1 1 115 115 PHE H H 115 8.607 8.607 8.211 0.396 19637 4558 1 6 . 1 1 116 116 ASN N N 116 120.356 120.356 117.722 2.634 19637 4559 1 6 . 1 1 116 116 ASN C C 116 175.407 175.407 175.487 -0.080 19637 4560 1 6 . 1 1 116 116 ASN CA C 116 50.071 50.071 53.109 -3.038 19637 4561 1 6 . 1 1 116 116 ASN CB C 116 37.041 37.041 39.406 -2.365 19637 4562 1 6 . 1 1 116 116 ASN H H 116 8.240 8.240 8.547 -0.307 19637 4563 1 6 . 1 1 117 117 ASP N N 117 117.610 117.610 120.361 -2.751 19637 4564 1 6 . 1 1 117 117 ASP C C 117 178.298 178.298 178.351 -0.053 19637 4565 1 6 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.086 -0.738 19637 4566 1 6 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.509 -1.961 19637 4567 1 6 . 1 1 117 117 ASP H H 117 8.460 8.460 8.707 -0.247 19637 4568 1 6 . 1 1 118 118 HIS N N 118 118.493 118.493 117.222 1.271 19637 4569 1 6 . 1 1 118 118 HIS C C 118 177.821 177.821 177.274 0.547 19637 4570 1 6 . 1 1 118 118 HIS CA C 118 56.766 56.766 59.102 -2.336 19637 4571 1 6 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.626 -2.899 19637 4572 1 6 . 1 1 118 118 HIS H H 118 8.185 8.185 8.335 -0.150 19637 4573 1 6 . 1 1 119 119 GLY N N 119 107.937 107.937 106.927 1.010 19637 4574 1 6 . 1 1 119 119 GLY C C 119 175.082 175.082 176.007 -0.925 19637 4575 1 6 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.813 -0.201 19637 4576 1 6 . 1 1 119 119 GLY H H 119 8.788 8.788 8.392 0.396 19637 4577 1 6 . 1 1 120 120 LYS N N 120 122.898 122.898 121.953 0.945 19637 4578 1 6 . 1 1 120 120 LYS C C 120 181.612 181.612 179.367 2.245 19637 4579 1 6 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.586 -0.869 19637 4580 1 6 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.510 -1.854 19637 4581 1 6 . 1 1 120 120 LYS H H 120 8.890 8.890 8.609 0.281 19637 4582 1 6 . 1 1 121 121 GLU N N 121 120.995 120.995 118.428 2.567 19637 4583 1 6 . 1 1 121 121 GLU C C 121 177.327 177.327 177.312 0.015 19637 4584 1 6 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.179 -0.526 19637 4585 1 6 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.288 -1.558 19637 4586 1 6 . 1 1 121 121 GLU H H 121 8.234 8.234 7.846 0.388 19637 4587 1 6 . 1 1 122 122 ALA N N 122 119.811 119.811 119.019 0.792 19637 4588 1 6 . 1 1 122 122 ALA C C 122 176.500 176.500 177.609 -1.109 19637 4589 1 6 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.926 -0.884 19637 4590 1 6 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.305 -2.595 19637 4591 1 6 . 1 1 122 122 ALA H H 122 7.259 7.259 7.484 -0.225 19637 4592 1 6 . 1 1 123 123 GLY N N 123 103.863 103.863 104.527 -0.664 19637 4593 1 6 . 1 1 123 123 GLY C C 123 175.082 175.082 173.377 1.705 19637 4594 1 6 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.701 -0.437 19637 4595 1 6 . 1 1 123 123 GLY H H 123 7.745 7.745 7.685 0.060 19637 4596 1 6 . 1 1 124 124 LEU N N 124 123.722 123.722 119.272 4.450 19637 4597 1 6 . 1 1 124 124 LEU C C 124 176.293 176.293 175.631 0.662 19637 4598 1 6 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.030 -0.761 19637 4599 1 6 . 1 1 124 124 LEU CB C 124 38.016 38.016 42.442 -4.426 19637 4600 1 6 . 1 1 124 124 LEU H H 124 7.461 7.461 7.619 -0.158 19637 4601 1 6 . 1 1 125 125 SER N N 125 114.112 114.112 114.322 -0.210 19637 4602 1 6 . 1 1 125 125 SER C C 125 173.250 173.250 173.434 -0.184 19637 4603 1 6 . 1 1 125 125 SER CA C 125 57.259 57.259 57.540 -0.281 19637 4604 1 6 . 1 1 125 125 SER CB C 125 65.684 65.684 64.379 1.305 19637 4605 1 6 . 1 1 125 125 SER H H 125 8.809 8.809 8.647 0.162 19637 4606 1 6 . 1 1 126 126 ASP N N 126 117.817 117.817 120.544 -2.727 19637 4607 1 6 . 1 1 126 126 ASP C C 126 174.107 174.107 174.182 -0.075 19637 4608 1 6 . 1 1 126 126 ASP CA C 126 54.593 54.593 55.363 -0.770 19637 4609 1 6 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.657 -1.931 19637 4610 1 6 . 1 1 126 126 ASP H H 126 9.035 9.035 8.272 0.763 19637 4611 1 6 . 1 1 127 127 LEU N N 127 120.160 120.160 124.988 -4.828 19637 4612 1 6 . 1 1 127 127 LEU C C 127 176.726 176.726 174.409 2.317 19637 4613 1 6 . 1 1 127 127 LEU CA C 127 54.371 54.371 53.526 0.845 19637 4614 1 6 . 1 1 127 127 LEU CB C 127 40.322 40.322 45.364 -5.042 19637 4615 1 6 . 1 1 127 127 LEU H H 127 8.109 8.109 8.073 0.036 19637 4616 1 6 . 1 1 128 128 SER N N 128 120.909 120.909 110.596 10.313 19637 4617 1 6 . 1 1 128 128 SER C C 128 172.038 172.038 172.365 -0.327 19637 4618 1 6 . 1 1 128 128 SER CA C 128 57.120 57.120 57.762 -0.642 19637 4619 1 6 . 1 1 128 128 SER CB C 128 64.353 64.353 64.294 0.058 19637 4620 1 6 . 1 1 128 128 SER H H 128 9.499 9.499 8.280 1.219 19637 4621 1 6 . 1 1 129 129 LEU N N 129 122.260 122.260 118.191 4.069 19637 4622 1 6 . 1 1 129 129 LEU C C 129 176.411 176.411 175.619 0.792 19637 4623 1 6 . 1 1 129 129 LEU CA C 129 53.839 53.839 53.522 0.317 19637 4624 1 6 . 1 1 129 129 LEU CB C 129 42.539 42.539 43.451 -0.912 19637 4625 1 6 . 1 1 129 129 LEU H H 129 8.182 8.182 8.360 -0.178 19637 4626 1 6 . 1 1 130 130 LYS N N 130 122.490 122.490 121.676 0.814 19637 4627 1 6 . 1 1 130 130 LYS C C 130 176.754 176.754 176.437 0.317 19637 4628 1 6 . 1 1 130 130 LYS CA C 130 55.042 55.042 56.150 -1.108 19637 4629 1 6 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.536 -1.018 19637 4630 1 6 . 1 1 130 130 LYS H H 130 7.536 7.536 8.270 -0.734 19637 4631 1 6 . 1 1 131 131 ASP N N 131 123.217 123.217 120.315 2.902 19637 4632 1 6 . 1 1 131 131 ASP C C 131 175.998 175.998 175.732 0.266 19637 4633 1 6 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.758 -0.298 19637 4634 1 6 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.277 -1.044 19637 4635 1 6 . 1 1 131 131 ASP H H 131 8.782 8.782 8.419 0.363 19637 4636 1 6 . 1 1 132 132 SER N N 132 115.445 115.445 116.298 -0.853 19637 4637 1 6 . 1 1 132 132 SER C C 132 171.920 171.920 173.631 -1.711 19637 4638 1 6 . 1 1 132 132 SER CA C 132 55.790 55.790 57.602 -1.812 19637 4639 1 6 . 1 1 132 132 SER CB C 132 64.087 64.087 63.985 0.102 19637 4640 1 6 . 1 1 132 132 SER H H 132 9.016 9.016 8.588 0.428 19637 4641 1 6 . 1 1 133 133 TRP N N 133 124.389 124.389 126.345 -1.956 19637 4642 1 6 . 1 1 133 133 TRP C C 133 178.243 178.243 174.762 3.481 19637 4643 1 6 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.125 1.184 19637 4644 1 6 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.017 1.384 19637 4645 1 6 . 1 1 133 133 TRP H H 133 7.896 7.896 8.040 -0.144 19637 4646 1 6 . 1 1 134 134 GLY N N 134 107.658 107.658 109.238 -1.580 19637 4647 1 6 . 1 1 134 134 GLY C C 134 171.123 171.123 172.830 -1.707 19637 4648 1 6 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.179 0.571 19637 4649 1 6 . 1 1 134 134 GLY H H 134 8.896 8.896 8.682 0.214 19637 4650 1 6 . 1 1 135 135 ALA N N 135 122.244 122.244 124.013 -1.769 19637 4651 1 6 . 1 1 135 135 ALA C C 135 174.875 174.875 175.507 -0.632 19637 4652 1 6 . 1 1 135 135 ALA CA C 135 51.141 51.141 52.348 -1.207 19637 4653 1 6 . 1 1 135 135 ALA CB C 135 19.306 19.306 19.870 -0.564 19637 4654 1 6 . 1 1 135 135 ALA H H 135 8.946 8.946 8.243 0.703 19637 4655 1 6 . 1 1 136 136 ALA N N 136 118.579 118.579 125.069 -6.490 19637 4656 1 6 . 1 1 136 136 ALA C C 136 175.434 175.434 175.113 0.321 19637 4657 1 6 . 1 1 136 136 ALA CA C 136 49.494 49.494 52.098 -2.604 19637 4658 1 6 . 1 1 136 136 ALA CB C 136 23.207 23.207 20.992 2.215 19637 4659 1 6 . 1 1 136 136 ALA H H 136 8.111 8.111 8.570 -0.459 19637 4660 1 6 . 1 1 137 137 GLY N N 137 105.005 105.005 104.539 0.466 19637 4661 1 6 . 1 1 137 137 GLY C C 137 171.300 171.300 172.331 -1.031 19637 4662 1 6 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.271 -1.089 19637 4663 1 6 . 1 1 137 137 GLY H H 137 8.933 8.933 8.343 0.590 19637 4664 1 6 . 1 1 138 138 GLN N N 138 115.695 115.695 117.241 -1.546 19637 4665 1 6 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.806 -1.543 19637 4666 1 6 . 1 1 138 138 GLN H H 138 8.559 8.559 7.992 0.567 19637 4667 1 6 . 1 1 140 140 GLY N N 140 110.307 110.307 116.055 -5.748 19637 4668 1 6 . 1 1 140 140 GLY C C 140 171.329 171.329 172.276 -0.947 19637 4669 1 6 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.586 1.031 19637 4670 1 6 . 1 1 140 140 GLY H H 140 7.936 7.936 8.855 -0.919 19637 4671 1 6 . 1 1 141 141 VAL N N 141 112.233 112.233 117.310 -5.077 19637 4672 1 6 . 1 1 141 141 VAL C C 141 171.979 171.979 173.554 -1.575 19637 4673 1 6 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.195 -0.281 19637 4674 1 6 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.949 -1.012 19637 4675 1 6 . 1 1 141 141 VAL H H 141 8.646 8.646 8.345 0.301 19637 4676 1 6 . 1 1 142 142 ASP N N 142 122.520 122.520 128.409 -5.889 19637 4677 1 6 . 1 1 142 142 ASP C C 142 175.259 175.259 174.251 1.008 19637 4678 1 6 . 1 1 142 142 ASP CA C 142 51.711 51.711 51.848 -0.137 19637 4679 1 6 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.394 -0.614 19637 4680 1 6 . 1 1 142 142 ASP H H 142 7.402 7.402 8.817 -1.415 19637 4681 1 6 . 1 1 143 143 TYR N N 143 122.331 122.331 124.142 -1.811 19637 4682 1 6 . 1 1 143 143 TYR C C 143 173.870 173.870 174.499 -0.629 19637 4683 1 6 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.230 -2.282 19637 4684 1 6 . 1 1 143 143 TYR CB C 143 40.765 40.765 43.158 -2.393 19637 4685 1 6 . 1 1 143 143 TYR H H 143 9.396 9.396 8.993 0.403 19637 4686 1 6 . 1 1 144 144 LEU N N 144 130.341 130.341 126.987 3.354 19637 4687 1 6 . 1 1 144 144 LEU C C 144 174.786 174.786 175.984 -1.198 19637 4688 1 6 . 1 1 144 144 LEU CA C 144 55.524 55.524 56.804 -1.280 19637 4689 1 6 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.773 -2.096 19637 4690 1 6 . 1 1 144 144 LEU H H 144 8.313 8.313 8.449 -0.136 19637 4691 1 6 . 1 1 145 145 ILE N N 145 124.602 124.602 126.415 -1.813 19637 4692 1 6 . 1 1 145 145 ILE C C 145 177.593 177.593 176.490 1.103 19637 4693 1 6 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.466 -2.369 19637 4694 1 6 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.927 -2.063 19637 4695 1 6 . 1 1 145 145 ILE H H 145 8.809 8.809 8.506 0.303 19637 4696 1 6 . 1 1 146 146 ASN N N 146 118.348 118.348 115.061 3.287 19637 4697 1 6 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.414 -1.096 19637 4698 1 6 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.395 -2.443 19637 4699 1 6 . 1 1 146 146 ASN H H 146 8.362 8.362 7.825 0.537 19637 4700 1 6 . 1 1 147 147 ARG N N 147 113.940 113.940 117.075 -3.135 19637 4701 1 6 . 1 1 147 147 ARG C C 147 176.470 176.470 176.022 0.448 19637 4702 1 6 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.291 -0.707 19637 4703 1 6 . 1 1 147 147 ARG CB C 147 28.705 28.705 27.938 0.767 19637 4704 1 6 . 1 1 147 147 ARG H H 147 8.072 8.072 8.448 -0.376 19637 4705 1 6 . 1 1 148 148 ASP N N 148 112.938 112.938 118.037 -5.099 19637 4706 1 6 . 1 1 148 148 ASP C C 148 174.373 174.373 175.551 -1.178 19637 4707 1 6 . 1 1 148 148 ASP CA C 148 54.327 54.327 56.107 -1.780 19637 4708 1 6 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.972 0.656 19637 4709 1 6 . 1 1 148 148 ASP H H 148 7.668 7.668 8.168 -0.500 19637 4710 1 6 . 1 1 149 149 TRP N N 149 116.148 116.148 114.971 1.177 19637 4711 1 6 . 1 1 149 149 TRP C C 149 175.574 175.574 174.551 1.023 19637 4712 1 6 . 1 1 149 149 TRP CA C 149 55.486 55.486 54.791 0.695 19637 4713 1 6 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.307 0.413 19637 4714 1 6 . 1 1 149 149 TRP H H 149 7.788 7.788 7.144 0.644 19637 4715 1 6 . 1 1 150 150 LEU N N 150 118.106 118.106 119.637 -1.531 19637 4716 1 6 . 1 1 150 150 LEU C C 150 175.141 175.141 175.059 0.082 19637 4717 1 6 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.868 -1.713 19637 4718 1 6 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.173 -0.772 19637 4719 1 6 . 1 1 150 150 LEU H H 150 9.306 9.306 9.166 0.140 19637 4720 1 6 . 1 1 151 151 VAL N N 151 115.211 115.211 120.442 -5.231 19637 4721 1 6 . 1 1 151 151 VAL C C 151 173.524 173.524 173.814 -0.290 19637 4722 1 6 . 1 1 151 151 VAL CA C 151 59.299 59.299 59.716 -0.417 19637 4723 1 6 . 1 1 151 151 VAL CB C 151 33.849 33.849 33.882 -0.033 19637 4724 1 6 . 1 1 151 151 VAL H H 151 9.293 9.293 8.799 0.494 19637 4725 1 6 . 1 1 152 152 ASN N N 152 124.526 124.526 127.054 -2.528 19637 4726 1 6 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.760 -0.005 19637 4727 1 6 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.199 1.429 19637 4728 1 6 . 1 1 152 152 ASN H H 152 8.893 8.893 8.744 0.149 19637 4729 1 6 . 1 1 153 153 MET N N 153 118.533 118.533 120.964 -2.431 19637 4730 1 6 . 1 1 153 153 MET C C 153 173.987 173.987 173.793 0.194 19637 4731 1 6 . 1 1 153 153 MET CA C 153 54.017 54.017 56.382 -2.365 19637 4732 1 6 . 1 1 153 153 MET CB C 153 36.243 36.243 36.644 -0.401 19637 4733 1 6 . 1 1 153 153 MET H H 153 8.003 8.003 8.980 -0.977 19637 4734 1 6 . 1 1 154 154 SER N N 154 113.225 113.225 111.861 1.364 19637 4735 1 6 . 1 1 154 154 SER C C 154 172.120 172.120 170.863 1.257 19637 4736 1 6 . 1 1 154 154 SER CA C 154 56.550 56.550 57.793 -1.243 19637 4737 1 6 . 1 1 154 154 SER CB C 154 64.619 64.619 65.346 -0.727 19637 4738 1 6 . 1 1 154 154 SER H H 154 9.191 9.191 7.831 1.360 19637 4739 1 6 . 1 1 155 155 VAL N N 155 119.543 119.543 120.633 -1.090 19637 4740 1 6 . 1 1 155 155 VAL C C 155 173.973 173.973 173.651 0.322 19637 4741 1 6 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.716 -1.334 19637 4742 1 6 . 1 1 155 155 VAL H H 155 9.190 9.190 7.679 1.511 19637 4743 1 6 . 1 1 156 156 TRP N N 156 124.596 124.596 126.769 -2.173 19637 4744 1 6 . 1 1 156 156 TRP C C 156 175.237 175.237 174.472 0.765 19637 4745 1 6 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.832 -2.569 19637 4746 1 6 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.011 1.217 19637 4747 1 6 . 1 1 156 156 TRP H H 156 9.883 9.883 8.098 1.785 19637 4748 1 6 . 1 1 160 160 ILE N N 160 123.211 123.211 118.414 4.797 19637 4749 1 6 . 1 1 160 160 ILE C C 160 173.545 173.545 174.838 -1.293 19637 4750 1 6 . 1 1 160 160 ILE CA C 160 60.269 60.269 61.824 -1.555 19637 4751 1 6 . 1 1 160 160 ILE H H 160 7.948 7.948 8.137 -0.189 19637 4752 1 6 . 1 1 161 161 ASP N N 161 128.357 128.357 125.964 2.393 19637 4753 1 6 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.910 -1.489 19637 4754 1 6 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.608 0.222 19637 4755 1 6 . 1 1 161 161 ASP H H 161 8.302 8.302 8.294 0.008 19637 4756 1 6 . 1 1 162 162 THR N N 162 117.472 117.472 119.397 -1.925 19637 4757 1 6 . 1 1 162 162 THR CA C 162 57.259 57.259 61.678 -4.419 19637 4758 1 6 . 1 1 162 162 THR CB C 162 68.167 68.167 71.362 -3.195 19637 4759 1 6 . 1 1 162 162 THR H H 162 8.788 8.788 8.248 0.540 19637 4760 1 6 . 1 1 163 163 THR N N 163 120.189 120.189 120.676 -0.487 19637 4761 1 6 . 1 1 163 163 THR CA C 163 60.629 60.629 61.090 -0.461 19637 4762 1 6 . 1 1 163 163 THR CB C 163 68.278 68.278 69.753 -1.475 19637 4763 1 6 . 1 1 163 163 THR H H 163 8.429 8.429 8.716 -0.287 19637 4764 1 6 . 1 1 164 164 ALA N N 164 127.991 127.991 127.314 0.677 19637 4765 1 6 . 1 1 164 164 ALA C C 164 174.993 174.993 175.246 -0.253 19637 4766 1 6 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.994 -1.804 19637 4767 1 6 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.980 -3.029 19637 4768 1 6 . 1 1 164 164 ALA H H 164 9.428 9.428 8.622 0.806 19637 4769 1 6 . 1 1 165 165 ASN N N 165 122.214 122.214 122.946 -0.732 19637 4770 1 6 . 1 1 165 165 ASN C C 165 173.047 173.047 173.556 -0.509 19637 4771 1 6 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.200 -1.059 19637 4772 1 6 . 1 1 165 165 ASN CB C 165 40.056 40.056 41.132 -1.076 19637 4773 1 6 . 1 1 165 165 ASN H H 165 9.216 9.216 8.540 0.676 19637 4774 1 6 . 1 1 166 166 TYR N N 166 116.330 116.330 117.503 -1.173 19637 4775 1 6 . 1 1 166 166 TYR C C 166 172.260 172.260 174.170 -1.910 19637 4776 1 6 . 1 1 166 166 TYR CA C 166 55.397 55.397 56.142 -0.745 19637 4777 1 6 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.712 -3.050 19637 4778 1 6 . 1 1 166 166 TYR H H 166 7.816 7.816 8.187 -0.371 19637 4779 1 6 . 1 1 167 167 LYS N N 167 117.734 117.734 125.094 -7.360 19637 4780 1 6 . 1 1 167 167 LYS C C 167 174.760 174.760 174.547 0.213 19637 4781 1 6 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.257 -1.506 19637 4782 1 6 . 1 1 167 167 LYS CB C 167 34.381 34.381 34.283 0.097 19637 4783 1 6 . 1 1 167 167 LYS H H 167 9.100 9.100 8.977 0.123 19637 4784 1 6 . 1 1 168 168 LEU N N 168 121.623 121.623 127.519 -5.896 19637 4785 1 6 . 1 1 168 168 LEU C C 168 177.877 177.877 176.780 1.097 19637 4786 1 6 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.440 -1.931 19637 4787 1 6 . 1 1 168 168 LEU CB C 168 42.894 42.894 43.166 -0.272 19637 4788 1 6 . 1 1 168 168 LEU H H 168 8.372 8.372 8.715 -0.343 19637 4789 1 6 . 1 1 169 169 GLY N N 169 119.264 119.264 112.705 6.559 19637 4790 1 6 . 1 1 169 169 GLY C C 169 175.602 175.602 174.547 1.055 19637 4791 1 6 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.911 1.346 19637 4792 1 6 . 1 1 169 169 GLY H H 169 9.603 9.603 8.550 1.053 19637 4793 1 6 . 1 1 170 170 GLY N N 170 104.659 104.659 106.555 -1.896 19637 4794 1 6 . 1 1 170 170 GLY C C 170 172.570 172.570 173.436 -0.866 19637 4795 1 6 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.228 -1.188 19637 4796 1 6 . 1 1 170 170 GLY H H 170 8.381 8.381 8.351 0.030 19637 4797 1 6 . 1 1 171 171 ALA N N 171 123.570 123.570 122.514 1.056 19637 4798 1 6 . 1 1 171 171 ALA C C 171 177.569 177.569 176.380 1.189 19637 4799 1 6 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.632 -0.739 19637 4800 1 6 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.203 -1.873 19637 4801 1 6 . 1 1 171 171 ALA H H 171 7.650 7.650 7.857 -0.207 19637 4802 1 6 . 1 1 172 172 GLN N N 172 124.057 124.057 123.090 0.967 19637 4803 1 6 . 1 1 172 172 GLN C C 172 174.869 174.869 175.700 -0.831 19637 4804 1 6 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.467 0.552 19637 4805 1 6 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.825 0.348 19637 4806 1 6 . 1 1 172 172 GLN H H 172 8.840 8.840 8.676 0.164 19637 4807 1 6 . 1 1 173 173 GLN N N 173 124.328 124.328 124.986 -0.658 19637 4808 1 6 . 1 1 173 173 GLN C C 173 174.953 174.953 174.345 0.608 19637 4809 1 6 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.292 -3.137 19637 4810 1 6 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.456 -1.042 19637 4811 1 6 . 1 1 173 173 GLN H H 173 9.023 9.023 8.065 0.958 19637 4812 1 6 . 1 1 174 174 HIS N N 174 115.629 115.629 113.958 1.671 19637 4813 1 6 . 1 1 174 174 HIS C C 174 173.103 173.103 172.780 0.323 19637 4814 1 6 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.050 -1.604 19637 4815 1 6 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.050 -1.369 19637 4816 1 6 . 1 1 174 174 HIS H H 174 8.227 8.227 7.982 0.245 19637 4817 1 6 . 1 1 175 175 ASP N N 175 120.615 120.615 123.960 -3.345 19637 4818 1 6 . 1 1 175 175 ASP C C 175 175.013 175.013 174.998 0.015 19637 4819 1 6 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.767 -1.036 19637 4820 1 6 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.389 0.722 19637 4821 1 6 . 1 1 175 175 ASP H H 175 8.964 8.964 8.739 0.226 19637 4822 1 6 . 1 1 176 176 SER N N 176 118.175 118.175 117.740 0.435 19637 4823 1 6 . 1 1 176 176 SER C C 176 173.496 173.496 175.393 -1.897 19637 4824 1 6 . 1 1 176 176 SER CA C 176 57.697 57.697 58.682 -0.985 19637 4825 1 6 . 1 1 176 176 SER CB C 176 62.757 62.757 63.932 -1.175 19637 4826 1 6 . 1 1 176 176 SER H H 176 9.137 9.137 8.587 0.550 19637 4827 1 6 . 1 1 177 177 VAL N N 177 123.737 123.737 123.217 0.520 19637 4828 1 6 . 1 1 177 177 VAL C C 177 173.398 173.398 174.916 -1.518 19637 4829 1 6 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.828 -2.551 19637 4830 1 6 . 1 1 177 177 VAL CB C 177 32.518 32.518 30.441 2.077 19637 4831 1 6 . 1 1 177 177 VAL H H 177 8.492 8.492 8.398 0.094 19637 4832 1 6 . 1 1 178 178 ARG N N 178 127.628 127.628 127.926 -0.298 19637 4833 1 6 . 1 1 178 178 ARG C C 178 175.097 175.097 174.207 0.890 19637 4834 1 6 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.590 -1.573 19637 4835 1 6 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.355 -3.206 19637 4836 1 6 . 1 1 178 178 ARG H H 178 8.513 8.513 8.083 0.430 19637 4837 1 6 . 1 1 182 182 TRP N N 182 115.616 115.616 113.933 1.683 19637 4838 1 6 . 1 1 182 182 TRP C C 182 176.613 176.613 174.057 2.556 19637 4839 1 6 . 1 1 182 182 TRP CA C 182 55.228 55.228 55.365 -0.137 19637 4840 1 6 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.091 0.718 19637 4841 1 6 . 1 1 182 182 TRP H H 182 7.491 7.491 7.172 0.319 19637 4842 1 6 . 1 1 183 183 VAL N N 183 121.618 121.618 120.939 0.679 19637 4843 1 6 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.709 -2.081 19637 4844 1 6 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.610 -2.914 19637 4845 1 6 . 1 1 183 183 VAL H H 183 9.372 9.372 8.505 0.867 19637 4846 1 6 . 1 1 185 185 MET N N 185 129.032 129.032 124.509 4.523 19637 4847 1 6 . 1 1 185 185 MET C C 185 172.186 172.186 174.447 -2.261 19637 4848 1 6 . 1 1 185 185 MET CA C 185 53.091 53.091 54.647 -1.556 19637 4849 1 6 . 1 1 185 185 MET CB C 185 33.405 33.405 35.405 -2.000 19637 4850 1 6 . 1 1 185 185 MET H H 185 9.615 9.615 8.090 1.525 19637 4851 1 6 . 1 1 186 186 PHE N N 186 124.085 124.085 119.450 4.635 19637 4852 1 6 . 1 1 186 186 PHE C C 186 174.816 174.816 173.213 1.603 19637 4853 1 6 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.368 -1.237 19637 4854 1 6 . 1 1 186 186 PHE CB C 186 40.588 40.588 40.938 -0.350 19637 4855 1 6 . 1 1 186 186 PHE H H 186 7.976 7.976 8.189 -0.213 19637 4856 1 6 . 1 1 187 187 SER N N 187 116.369 116.369 117.987 -1.618 19637 4857 1 6 . 1 1 187 187 SER C C 187 171.305 171.305 172.825 -1.520 19637 4858 1 6 . 1 1 187 187 SER CA C 187 57.348 57.348 57.338 0.010 19637 4859 1 6 . 1 1 187 187 SER CB C 187 66.127 66.127 67.013 -0.886 19637 4860 1 6 . 1 1 187 187 SER H H 187 9.355 9.355 8.084 1.271 19637 4861 1 6 . 1 1 188 188 ALA N N 188 119.248 119.248 125.624 -6.376 19637 4862 1 6 . 1 1 188 188 ALA C C 188 175.996 175.996 176.734 -0.738 19637 4863 1 6 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.737 -1.652 19637 4864 1 6 . 1 1 188 188 ALA CB C 188 21.079 21.079 21.280 -0.201 19637 4865 1 6 . 1 1 188 188 ALA H H 188 8.300 8.300 8.568 -0.268 19637 4866 1 6 . 1 1 189 189 GLY N N 189 104.914 104.914 112.230 -7.316 19637 4867 1 6 . 1 1 189 189 GLY C C 189 170.650 170.650 173.026 -2.376 19637 4868 1 6 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.097 -1.051 19637 4869 1 6 . 1 1 189 189 GLY H H 189 9.235 9.235 8.508 0.727 19637 4870 1 6 . 1 1 190 190 TYR N N 190 121.149 121.149 128.474 -7.325 19637 4871 1 6 . 1 1 190 190 TYR C C 190 173.608 173.608 174.057 -0.449 19637 4872 1 6 . 1 1 190 190 TYR CA C 190 55.131 55.131 54.755 0.376 19637 4873 1 6 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.515 -0.153 19637 4874 1 6 . 1 1 190 190 TYR H H 190 8.865 8.865 8.754 0.111 19637 4875 1 6 . 1 1 191 191 ARG N N 191 125.697 125.697 124.808 0.889 19637 4876 1 6 . 1 1 191 191 ARG CA C 191 53.529 53.529 55.562 -2.034 19637 4877 1 6 . 1 1 191 191 ARG CB C 191 29.947 29.947 29.627 0.321 19637 4878 1 6 . 1 1 191 191 ARG H H 191 7.469 7.469 8.031 -0.562 19637 4879 1 7 . 1 1 2 2 HIS N N 2 119.214 119.214 115.231 3.983 19637 4880 1 7 . 1 1 2 2 HIS C C 2 171.081 171.081 173.780 -2.699 19637 4881 1 7 . 1 1 2 2 HIS CA C 2 52.288 52.288 54.346 -2.058 19637 4882 1 7 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.835 -6.539 19637 4883 1 7 . 1 1 2 2 HIS H H 2 8.422 8.422 8.288 0.134 19637 4884 1 7 . 1 1 3 3 GLU N N 3 113.500 113.500 117.212 -3.712 19637 4885 1 7 . 1 1 3 3 GLU C C 3 174.619 174.619 174.701 -0.082 19637 4886 1 7 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.050 -2.389 19637 4887 1 7 . 1 1 3 3 GLU CB C 3 29.415 29.415 32.328 -2.913 19637 4888 1 7 . 1 1 3 3 GLU H H 3 6.642 6.642 7.616 -0.974 19637 4889 1 7 . 1 1 4 4 ALA N N 4 120.680 120.680 124.657 -3.977 19637 4890 1 7 . 1 1 4 4 ALA C C 4 178.439 178.439 177.582 0.857 19637 4891 1 7 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.678 -0.302 19637 4892 1 7 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.127 -0.684 19637 4893 1 7 . 1 1 4 4 ALA H H 4 8.701 8.701 8.552 0.149 19637 4894 1 7 . 1 1 5 5 GLY N N 5 112.786 112.786 107.253 5.533 19637 4895 1 7 . 1 1 5 5 GLY C C 5 173.309 173.309 174.227 -0.918 19637 4896 1 7 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.374 -1.821 19637 4897 1 7 . 1 1 5 5 GLY H H 5 9.294 9.294 8.017 1.277 19637 4898 1 7 . 1 1 6 6 GLU N N 6 121.755 121.755 118.963 2.792 19637 4899 1 7 . 1 1 6 6 GLU C C 6 173.693 173.693 174.540 -0.847 19637 4900 1 7 . 1 1 6 6 GLU CA C 6 56.018 56.018 56.084 -0.065 19637 4901 1 7 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.269 -0.081 19637 4902 1 7 . 1 1 6 6 GLU H H 6 7.955 7.955 7.789 0.166 19637 4903 1 7 . 1 1 7 7 PHE N N 7 124.802 124.802 122.464 2.338 19637 4904 1 7 . 1 1 7 7 PHE C C 7 174.039 174.039 173.556 0.483 19637 4905 1 7 . 1 1 7 7 PHE CA C 7 54.333 54.333 57.134 -2.801 19637 4906 1 7 . 1 1 7 7 PHE CB C 7 41.741 41.741 42.287 -0.546 19637 4907 1 7 . 1 1 7 7 PHE H H 7 8.648 8.648 8.497 0.151 19637 4908 1 7 . 1 1 8 8 PHE N N 8 121.132 121.132 126.033 -4.901 19637 4909 1 7 . 1 1 8 8 PHE C C 8 171.861 171.861 174.058 -2.197 19637 4910 1 7 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.379 -1.830 19637 4911 1 7 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.777 -3.100 19637 4912 1 7 . 1 1 8 8 PHE H H 8 8.574 8.574 9.230 -0.656 19637 4913 1 7 . 1 1 9 9 MET N N 9 120.391 120.391 123.358 -2.967 19637 4914 1 7 . 1 1 9 9 MET C C 9 174.166 174.166 174.326 -0.160 19637 4915 1 7 . 1 1 9 9 MET CA C 9 52.199 52.199 54.999 -2.800 19637 4916 1 7 . 1 1 9 9 MET CB C 9 37.307 37.307 36.028 1.279 19637 4917 1 7 . 1 1 9 9 MET H H 9 8.541 8.541 9.471 -0.930 19637 4918 1 7 . 1 1 10 10 ARG N N 10 117.892 117.892 124.380 -6.488 19637 4919 1 7 . 1 1 10 10 ARG C C 10 175.289 175.289 173.591 1.698 19637 4920 1 7 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.917 -1.471 19637 4921 1 7 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.263 -3.897 19637 4922 1 7 . 1 1 10 10 ARG H H 10 8.357 8.357 8.880 -0.523 19637 4923 1 7 . 1 1 11 11 ALA N N 11 119.664 119.664 123.695 -4.031 19637 4924 1 7 . 1 1 11 11 ALA C C 11 176.057 176.057 176.296 -0.239 19637 4925 1 7 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.228 -1.596 19637 4926 1 7 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.302 1.216 19637 4927 1 7 . 1 1 11 11 ALA H H 11 9.154 9.154 8.771 0.383 19637 4928 1 7 . 1 1 12 12 GLY N N 12 106.262 106.262 108.517 -2.255 19637 4929 1 7 . 1 1 12 12 GLY C C 12 172.068 172.068 172.840 -0.772 19637 4930 1 7 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.498 0.651 19637 4931 1 7 . 1 1 12 12 GLY H H 12 8.655 8.655 8.338 0.317 19637 4932 1 7 . 1 1 13 13 SER N N 13 116.893 116.893 119.120 -2.227 19637 4933 1 7 . 1 1 13 13 SER C C 13 173.604 173.604 173.682 -0.078 19637 4934 1 7 . 1 1 13 13 SER CA C 13 56.367 56.367 56.089 0.278 19637 4935 1 7 . 1 1 13 13 SER CB C 13 64.087 64.087 63.824 0.263 19637 4936 1 7 . 1 1 13 13 SER H H 13 8.644 8.644 8.065 0.579 19637 4937 1 7 . 1 1 14 14 ALA N N 14 125.234 125.234 127.418 -2.184 19637 4938 1 7 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.250 -1.623 19637 4939 1 7 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.124 -0.794 19637 4940 1 7 . 1 1 14 14 ALA H H 14 9.120 9.120 8.383 0.737 19637 4941 1 7 . 1 1 15 15 THR N N 15 121.303 121.303 122.560 -1.257 19637 4942 1 7 . 1 1 15 15 THR C C 15 175.230 175.230 173.827 1.403 19637 4943 1 7 . 1 1 15 15 THR CA C 15 60.895 60.895 62.329 -1.434 19637 4944 1 7 . 1 1 15 15 THR CB C 15 70.029 70.029 69.402 0.627 19637 4945 1 7 . 1 1 15 15 THR H H 15 9.351 9.351 8.410 0.941 19637 4946 1 7 . 1 1 16 16 VAL N N 16 126.781 126.781 127.559 -0.778 19637 4947 1 7 . 1 1 16 16 VAL C C 16 174.432 174.432 174.820 -0.388 19637 4948 1 7 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.609 -1.803 19637 4949 1 7 . 1 1 16 16 VAL CB C 16 30.922 30.922 33.125 -2.203 19637 4950 1 7 . 1 1 16 16 VAL H H 16 9.110 9.110 8.633 0.477 19637 4951 1 7 . 1 1 17 17 ARG N N 17 129.806 129.806 129.240 0.566 19637 4952 1 7 . 1 1 17 17 ARG C C 17 173.440 173.440 173.714 -0.274 19637 4953 1 7 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.394 -0.987 19637 4954 1 7 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.265 0.037 19637 4955 1 7 . 1 1 17 17 ARG H H 17 9.325 9.325 8.470 0.855 19637 4956 1 7 . 1 1 19 19 THR N N 19 114.402 114.402 113.064 1.338 19637 4957 1 7 . 1 1 19 19 THR CA C 19 61.022 61.022 61.138 -0.116 19637 4958 1 7 . 1 1 19 19 THR CB C 19 69.142 69.142 69.874 -0.731 19637 4959 1 7 . 1 1 19 19 THR H H 19 8.021 8.021 8.056 -0.035 19637 4960 1 7 . 1 1 20 20 GLU N N 20 123.598 123.598 122.044 1.554 19637 4961 1 7 . 1 1 20 20 GLU C C 20 177.007 177.007 175.282 1.725 19637 4962 1 7 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.540 -1.060 19637 4963 1 7 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.857 -2.063 19637 4964 1 7 . 1 1 20 20 GLU H H 20 8.601 8.601 8.421 0.180 19637 4965 1 7 . 1 1 21 21 GLY N N 21 110.237 110.237 109.901 0.336 19637 4966 1 7 . 1 1 21 21 GLY C C 21 174.077 174.077 174.424 -0.347 19637 4967 1 7 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.891 -1.230 19637 4968 1 7 . 1 1 21 21 GLY H H 21 8.530 8.530 8.773 -0.243 19637 4969 1 7 . 1 1 22 22 ALA N N 22 123.476 123.476 122.376 1.100 19637 4970 1 7 . 1 1 22 22 ALA C C 22 178.158 178.158 178.474 -0.316 19637 4971 1 7 . 1 1 22 22 ALA CA C 22 51.755 51.755 53.896 -2.141 19637 4972 1 7 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.679 -1.901 19637 4973 1 7 . 1 1 22 22 ALA H H 22 8.279 8.279 9.732 -1.453 19637 4974 1 7 . 1 1 23 23 GLY N N 23 107.265 107.265 106.963 0.302 19637 4975 1 7 . 1 1 23 23 GLY C C 23 174.727 174.727 174.820 -0.093 19637 4976 1 7 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.394 0.046 19637 4977 1 7 . 1 1 23 23 GLY H H 23 8.452 8.452 8.264 0.188 19637 4978 1 7 . 1 1 24 24 GLY N N 24 108.306 108.306 109.886 -1.580 19637 4979 1 7 . 1 1 24 24 GLY C C 24 174.786 174.786 174.564 0.222 19637 4980 1 7 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.875 -1.435 19637 4981 1 7 . 1 1 24 24 GLY H H 24 8.221 8.221 8.070 0.151 19637 4982 1 7 . 1 1 25 25 THR N N 25 114.381 114.381 113.174 1.207 19637 4983 1 7 . 1 1 25 25 THR C C 25 175.170 175.170 176.143 -0.973 19637 4984 1 7 . 1 1 25 25 THR CA C 25 61.599 61.599 62.565 -0.966 19637 4985 1 7 . 1 1 25 25 THR CB C 25 68.521 68.521 69.646 -1.125 19637 4986 1 7 . 1 1 25 25 THR H H 25 8.213 8.213 8.287 -0.074 19637 4987 1 7 . 1 1 26 26 LEU N N 26 123.038 123.038 120.830 2.208 19637 4988 1 7 . 1 1 26 26 LEU C C 26 177.918 177.918 177.453 0.465 19637 4989 1 7 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.996 -0.314 19637 4990 1 7 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.525 -2.380 19637 4991 1 7 . 1 1 26 26 LEU H H 26 8.425 8.425 7.839 0.586 19637 4992 1 7 . 1 1 27 27 GLY N N 27 108.786 108.786 109.102 -0.316 19637 4993 1 7 . 1 1 27 27 GLY C C 27 175.023 175.023 174.645 0.378 19637 4994 1 7 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.985 -0.146 19637 4995 1 7 . 1 1 27 27 GLY H H 27 8.260 8.260 8.051 0.209 19637 4996 1 7 . 1 1 28 28 SER N N 28 116.175 116.175 115.948 0.227 19637 4997 1 7 . 1 1 28 28 SER CA C 28 58.140 58.140 57.987 0.153 19637 4998 1 7 . 1 1 28 28 SER CB C 28 62.846 62.846 64.027 -1.181 19637 4999 1 7 . 1 1 28 28 SER H H 28 8.330 8.330 7.964 0.366 19637 5000 1 7 . 1 1 29 29 LEU N N 29 122.260 122.260 123.926 -1.666 19637 5001 1 7 . 1 1 29 29 LEU C C 29 177.512 177.512 176.387 1.125 19637 5002 1 7 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.785 -1.369 19637 5003 1 7 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.087 -1.765 19637 5004 1 7 . 1 1 29 29 LEU H H 29 8.157 8.157 8.682 -0.525 19637 5005 1 7 . 1 1 30 30 GLY N N 30 107.575 107.575 111.952 -4.377 19637 5006 1 7 . 1 1 30 30 GLY C C 30 174.225 174.225 174.615 -0.390 19637 5007 1 7 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.725 -0.197 19637 5008 1 7 . 1 1 30 30 GLY H H 30 8.144 8.144 8.582 -0.438 19637 5009 1 7 . 1 1 31 31 GLY N N 31 107.996 107.996 109.729 -1.733 19637 5010 1 7 . 1 1 31 31 GLY C C 31 173.664 173.664 174.318 -0.654 19637 5011 1 7 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.654 -0.436 19637 5012 1 7 . 1 1 31 31 GLY H H 31 8.044 8.044 8.272 -0.228 19637 5013 1 7 . 1 1 32 32 PHE N N 32 119.248 119.248 122.838 -3.590 19637 5014 1 7 . 1 1 32 32 PHE C C 32 175.495 175.495 175.082 0.413 19637 5015 1 7 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.041 -0.668 19637 5016 1 7 . 1 1 32 32 PHE CB C 32 39.258 39.258 39.614 -0.356 19637 5017 1 7 . 1 1 32 32 PHE H H 32 8.181 8.181 7.537 0.644 19637 5018 1 7 . 1 1 33 33 SER N N 33 117.720 117.720 116.877 0.843 19637 5019 1 7 . 1 1 33 33 SER C C 33 173.368 173.368 172.924 0.444 19637 5020 1 7 . 1 1 33 33 SER CA C 33 55.746 55.746 58.420 -2.674 19637 5021 1 7 . 1 1 33 33 SER CB C 33 64.265 64.265 63.439 0.826 19637 5022 1 7 . 1 1 33 33 SER H H 33 8.771 8.771 8.546 0.225 19637 5023 1 7 . 1 1 34 34 VAL N N 34 123.007 123.007 118.031 4.976 19637 5024 1 7 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.809 -1.383 19637 5025 1 7 . 1 1 34 34 VAL CB C 34 32.785 32.785 34.827 -2.042 19637 5026 1 7 . 1 1 34 34 VAL H H 34 8.525 8.525 7.744 0.781 19637 5027 1 7 . 1 1 35 35 THR N N 35 115.459 115.459 121.626 -6.167 19637 5028 1 7 . 1 1 35 35 THR CA C 35 61.200 61.200 62.549 -1.349 19637 5029 1 7 . 1 1 35 35 THR CB C 35 69.851 69.851 69.494 0.357 19637 5030 1 7 . 1 1 35 35 THR H H 35 8.147 8.147 7.595 0.552 19637 5031 1 7 . 1 1 36 36 ASN N N 36 118.274 118.274 122.552 -4.278 19637 5032 1 7 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.323 -0.916 19637 5033 1 7 . 1 1 36 36 ASN CB C 36 38.105 38.105 40.517 -2.412 19637 5034 1 7 . 1 1 36 36 ASN H H 36 8.719 8.719 8.495 0.224 19637 5035 1 7 . 1 1 37 37 ASN N N 37 115.657 115.657 118.471 -2.814 19637 5036 1 7 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.947 1.918 19637 5037 1 7 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.761 3.551 19637 5038 1 7 . 1 1 37 37 ASN H H 37 8.432 8.432 8.391 0.041 19637 5039 1 7 . 1 1 38 38 THR N N 38 122.444 122.444 115.534 6.910 19637 5040 1 7 . 1 1 38 38 THR CA C 38 61.288 61.288 62.196 -0.908 19637 5041 1 7 . 1 1 38 38 THR CB C 38 69.142 69.142 68.965 0.177 19637 5042 1 7 . 1 1 38 38 THR H H 38 8.095 8.095 8.293 -0.198 19637 5043 1 7 . 1 1 40 40 LEU N N 40 120.457 120.457 120.536 -0.079 19637 5044 1 7 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.221 0.106 19637 5045 1 7 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.945 -2.727 19637 5046 1 7 . 1 1 40 40 LEU H H 40 6.902 6.902 8.339 -1.437 19637 5047 1 7 . 1 1 41 41 GLY N N 41 111.223 111.223 111.605 -0.382 19637 5048 1 7 . 1 1 41 41 GLY C C 41 171.034 171.034 171.705 -0.671 19637 5049 1 7 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.062 -1.219 19637 5050 1 7 . 1 1 41 41 GLY H H 41 8.978 8.978 8.551 0.427 19637 5051 1 7 . 1 1 42 42 LEU N N 42 122.123 122.123 119.702 2.421 19637 5052 1 7 . 1 1 42 42 LEU C C 42 175.350 175.350 175.118 0.232 19637 5053 1 7 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.650 -1.495 19637 5054 1 7 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.744 -0.367 19637 5055 1 7 . 1 1 42 42 LEU H H 42 8.679 8.679 8.496 0.183 19637 5056 1 7 . 1 1 43 43 THR N N 43 109.917 109.917 117.864 -7.947 19637 5057 1 7 . 1 1 43 43 THR C C 43 173.516 173.516 173.482 0.034 19637 5058 1 7 . 1 1 43 43 THR CA C 43 58.057 58.057 59.813 -1.756 19637 5059 1 7 . 1 1 43 43 THR CB C 43 70.029 70.029 69.983 0.046 19637 5060 1 7 . 1 1 43 43 THR H H 43 8.792 8.792 8.590 0.202 19637 5061 1 7 . 1 1 44 44 PHE N N 44 118.699 118.699 125.467 -6.768 19637 5062 1 7 . 1 1 44 44 PHE C C 44 173.917 173.917 175.233 -1.316 19637 5063 1 7 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.008 -0.528 19637 5064 1 7 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.492 -0.727 19637 5065 1 7 . 1 1 44 44 PHE H H 44 8.566 8.566 8.893 -0.327 19637 5066 1 7 . 1 1 45 45 THR N N 45 118.229 118.229 120.300 -2.071 19637 5067 1 7 . 1 1 45 45 THR C C 45 170.886 170.886 172.761 -1.875 19637 5068 1 7 . 1 1 45 45 THR CA C 45 60.097 60.097 61.452 -1.355 19637 5069 1 7 . 1 1 45 45 THR CB C 45 68.433 68.433 70.320 -1.887 19637 5070 1 7 . 1 1 45 45 THR H H 45 7.903 7.903 9.127 -1.224 19637 5071 1 7 . 1 1 46 46 TYR N N 46 124.450 124.450 127.912 -3.462 19637 5072 1 7 . 1 1 46 46 TYR C C 46 174.254 174.254 173.035 1.219 19637 5073 1 7 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.974 -1.824 19637 5074 1 7 . 1 1 46 46 TYR CB C 46 42.273 42.273 42.857 -0.584 19637 5075 1 7 . 1 1 46 46 TYR H H 46 8.941 8.941 9.095 -0.154 19637 5076 1 7 . 1 1 47 47 MET N N 47 123.598 123.598 123.677 -0.079 19637 5077 1 7 . 1 1 47 47 MET C C 47 175.082 175.082 175.356 -0.274 19637 5078 1 7 . 1 1 47 47 MET CA C 47 50.425 50.425 52.858 -2.433 19637 5079 1 7 . 1 1 47 47 MET CB C 47 26.222 26.222 34.279 -8.056 19637 5080 1 7 . 1 1 47 47 MET H H 47 7.798 7.798 7.938 -0.140 19637 5081 1 7 . 1 1 48 48 ALA N N 48 129.975 129.975 126.646 3.329 19637 5082 1 7 . 1 1 48 48 ALA C C 48 178.568 178.568 177.689 0.879 19637 5083 1 7 . 1 1 48 48 ALA CA C 48 53.305 53.305 55.537 -2.232 19637 5084 1 7 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.470 -1.758 19637 5085 1 7 . 1 1 48 48 ALA H H 48 8.717 8.717 8.487 0.230 19637 5086 1 7 . 1 1 49 49 THR N N 49 106.011 106.011 107.777 -1.766 19637 5087 1 7 . 1 1 49 49 THR C C 49 171.950 171.950 172.379 -0.429 19637 5088 1 7 . 1 1 49 49 THR CA C 49 57.786 57.786 62.063 -4.277 19637 5089 1 7 . 1 1 49 49 THR CB C 49 70.535 70.535 67.784 2.752 19637 5090 1 7 . 1 1 49 49 THR H H 49 8.072 8.072 8.192 -0.120 19637 5091 1 7 . 1 1 50 50 ASP N N 50 114.062 114.062 120.923 -6.861 19637 5092 1 7 . 1 1 50 50 ASP C C 50 175.318 175.318 174.123 1.195 19637 5093 1 7 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.196 0.580 19637 5094 1 7 . 1 1 50 50 ASP CB C 50 39.790 39.790 41.124 -1.334 19637 5095 1 7 . 1 1 50 50 ASP H H 50 8.390 8.390 7.922 0.468 19637 5096 1 7 . 1 1 51 51 ASN N N 51 111.850 111.850 117.984 -6.134 19637 5097 1 7 . 1 1 51 51 ASN C C 51 171.684 171.684 174.092 -2.408 19637 5098 1 7 . 1 1 51 51 ASN CA C 51 54.416 54.416 52.845 1.571 19637 5099 1 7 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.089 2.144 19637 5100 1 7 . 1 1 51 51 ASN H H 51 7.887 7.887 8.458 -0.571 19637 5101 1 7 . 1 1 52 52 ILE N N 52 118.929 118.929 119.377 -0.448 19637 5102 1 7 . 1 1 52 52 ILE C C 52 175.495 175.495 174.690 0.805 19637 5103 1 7 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.770 -1.123 19637 5104 1 7 . 1 1 52 52 ILE CB C 52 37.484 37.484 39.094 -1.611 19637 5105 1 7 . 1 1 52 52 ILE H H 52 7.707 7.707 7.866 -0.159 19637 5106 1 7 . 1 1 53 53 GLY N N 53 114.998 114.998 115.208 -0.210 19637 5107 1 7 . 1 1 53 53 GLY C C 53 171.536 171.536 171.925 -0.389 19637 5108 1 7 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.148 -0.216 19637 5109 1 7 . 1 1 53 53 GLY H H 53 8.678 8.678 8.787 -0.109 19637 5110 1 7 . 1 1 54 54 VAL N N 54 118.327 118.327 120.016 -1.689 19637 5111 1 7 . 1 1 54 54 VAL C C 54 173.309 173.309 173.425 -0.116 19637 5112 1 7 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.150 -1.502 19637 5113 1 7 . 1 1 54 54 VAL CB C 54 32.873 32.873 35.241 -2.368 19637 5114 1 7 . 1 1 54 54 VAL H H 54 8.734 8.734 8.920 -0.186 19637 5115 1 7 . 1 1 55 55 GLU N N 55 126.907 126.907 129.865 -2.958 19637 5116 1 7 . 1 1 55 55 GLU C C 55 173.575 173.575 174.374 -0.799 19637 5117 1 7 . 1 1 55 55 GLU CA C 55 53.269 53.269 53.996 -0.727 19637 5118 1 7 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.770 0.957 19637 5119 1 7 . 1 1 55 55 GLU H H 55 9.084 9.084 9.181 -0.097 19637 5120 1 7 . 1 1 56 56 LEU N N 56 126.739 126.739 126.370 0.369 19637 5121 1 7 . 1 1 56 56 LEU C C 56 174.786 174.786 174.364 0.422 19637 5122 1 7 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.032 -2.099 19637 5123 1 7 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.873 -0.851 19637 5124 1 7 . 1 1 56 56 LEU H H 56 9.168 9.168 8.744 0.424 19637 5125 1 7 . 1 1 57 57 LEU N N 57 127.189 127.189 127.926 -0.737 19637 5126 1 7 . 1 1 57 57 LEU C C 57 174.579 174.579 174.564 0.015 19637 5127 1 7 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.200 -0.109 19637 5128 1 7 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.640 -2.480 19637 5129 1 7 . 1 1 57 57 LEU H H 57 9.174 9.174 8.918 0.256 19637 5130 1 7 . 1 1 58 58 ALA N N 58 125.061 125.061 126.341 -1.280 19637 5131 1 7 . 1 1 58 58 ALA C C 58 172.925 172.925 174.949 -2.024 19637 5132 1 7 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.580 -1.656 19637 5133 1 7 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.752 -1.673 19637 5134 1 7 . 1 1 58 58 ALA H H 58 9.435 9.435 8.686 0.749 19637 5135 1 7 . 1 1 59 59 ALA N N 59 116.911 116.911 120.947 -4.036 19637 5136 1 7 . 1 1 59 59 ALA C C 59 176.248 176.248 175.948 0.300 19637 5137 1 7 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.985 -1.914 19637 5138 1 7 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.058 -1.399 19637 5139 1 7 . 1 1 59 59 ALA H H 59 6.833 6.833 8.241 -1.408 19637 5140 1 7 . 1 1 60 60 THR N N 60 105.771 105.771 114.047 -8.276 19637 5141 1 7 . 1 1 60 60 THR C C 60 170.975 170.975 172.655 -1.680 19637 5142 1 7 . 1 1 60 60 THR CA C 60 59.515 59.515 60.613 -1.098 19637 5143 1 7 . 1 1 60 60 THR CB C 60 63.487 63.487 68.830 -5.343 19637 5144 1 7 . 1 1 60 60 THR H H 60 7.718 7.718 8.411 -0.693 19637 5145 1 7 . 1 1 62 62 PHE N N 62 122.473 122.473 113.835 8.638 19637 5146 1 7 . 1 1 62 62 PHE C C 62 174.934 174.934 174.348 0.586 19637 5147 1 7 . 1 1 62 62 PHE CA C 62 56.721 56.721 55.572 1.149 19637 5148 1 7 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.548 -0.935 19637 5149 1 7 . 1 1 62 62 PHE H H 62 8.251 8.251 7.463 0.788 19637 5150 1 7 . 1 1 63 63 ARG N N 63 118.016 118.016 120.714 -2.698 19637 5151 1 7 . 1 1 63 63 ARG C C 63 174.423 174.423 176.484 -2.061 19637 5152 1 7 . 1 1 63 63 ARG CA C 63 52.648 52.648 53.910 -1.262 19637 5153 1 7 . 1 1 63 63 ARG CB C 63 31.898 31.898 31.145 0.753 19637 5154 1 7 . 1 1 63 63 ARG H H 63 7.378 7.378 7.979 -0.601 19637 5155 1 7 . 1 1 64 64 HIS N N 64 120.040 120.040 122.151 -2.111 19637 5156 1 7 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.969 -3.016 19637 5157 1 7 . 1 1 64 64 HIS H H 64 8.588 8.588 8.046 0.542 19637 5158 1 7 . 1 1 66 66 ILE N N 66 122.668 122.668 119.226 3.442 19637 5159 1 7 . 1 1 66 66 ILE C C 66 175.141 175.141 174.227 0.914 19637 5160 1 7 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.390 -2.427 19637 5161 1 7 . 1 1 66 66 ILE CB C 66 38.637 38.637 41.500 -2.863 19637 5162 1 7 . 1 1 66 66 ILE H H 66 8.726 8.726 8.262 0.464 19637 5163 1 7 . 1 1 67 67 GLY N N 67 114.948 114.948 114.900 0.048 19637 5164 1 7 . 1 1 67 67 GLY C C 67 172.570 172.570 173.307 -0.737 19637 5165 1 7 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.682 -1.554 19637 5166 1 7 . 1 1 67 67 GLY H H 67 8.780 8.780 8.660 0.120 19637 5167 1 7 . 1 1 68 68 THR N N 68 106.079 106.079 114.534 -8.455 19637 5168 1 7 . 1 1 68 68 THR C C 68 175.574 175.574 174.170 1.404 19637 5169 1 7 . 1 1 68 68 THR CA C 68 58.672 58.672 59.959 -1.286 19637 5170 1 7 . 1 1 68 68 THR CB C 68 71.270 71.270 71.252 0.018 19637 5171 1 7 . 1 1 68 68 THR H H 68 7.431 7.431 7.379 0.052 19637 5172 1 7 . 1 1 69 69 ARG N N 69 122.303 122.303 121.108 1.195 19637 5173 1 7 . 1 1 69 69 ARG C C 69 178.298 178.298 177.072 1.226 19637 5174 1 7 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.412 -0.183 19637 5175 1 7 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.170 -1.997 19637 5176 1 7 . 1 1 69 69 ARG H H 69 8.783 8.783 8.738 0.045 19637 5177 1 7 . 1 1 70 70 ALA N N 70 117.681 117.681 119.192 -1.511 19637 5178 1 7 . 1 1 70 70 ALA C C 70 179.281 179.281 178.030 1.251 19637 5179 1 7 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.813 -1.544 19637 5180 1 7 . 1 1 70 70 ALA CB C 70 17.975 17.975 19.022 -1.047 19637 5181 1 7 . 1 1 70 70 ALA H H 70 8.262 8.262 7.664 0.598 19637 5182 1 7 . 1 1 71 71 THR N N 71 105.486 105.486 106.237 -0.751 19637 5183 1 7 . 1 1 71 71 THR C C 71 176.136 176.136 175.542 0.594 19637 5184 1 7 . 1 1 71 71 THR CA C 71 60.895 60.895 62.088 -1.193 19637 5185 1 7 . 1 1 71 71 THR CB C 71 70.383 70.383 72.458 -2.075 19637 5186 1 7 . 1 1 71 71 THR H H 71 7.473 7.473 7.638 -0.165 19637 5187 1 7 . 1 1 72 72 GLY N N 72 111.099 111.099 112.316 -1.217 19637 5188 1 7 . 1 1 72 72 GLY C C 72 175.052 175.052 172.552 2.500 19637 5189 1 7 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.270 -1.224 19637 5190 1 7 . 1 1 72 72 GLY H H 72 8.194 8.194 8.384 -0.190 19637 5191 1 7 . 1 1 73 73 ASP N N 73 121.919 121.919 119.494 2.425 19637 5192 1 7 . 1 1 73 73 ASP C C 73 177.889 177.889 175.457 2.432 19637 5193 1 7 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.683 1.359 19637 5194 1 7 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.937 -3.413 19637 5195 1 7 . 1 1 73 73 ASP H H 73 8.668 8.668 8.354 0.314 19637 5196 1 7 . 1 1 74 74 ILE N N 74 117.113 117.113 118.289 -1.176 19637 5197 1 7 . 1 1 74 74 ILE C C 74 175.013 175.013 173.805 1.208 19637 5198 1 7 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.168 -2.254 19637 5199 1 7 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.005 5.292 19637 5200 1 7 . 1 1 74 74 ILE H H 74 9.327 9.327 8.699 0.628 19637 5201 1 7 . 1 1 75 75 ALA N N 75 121.329 121.329 126.857 -5.528 19637 5202 1 7 . 1 1 75 75 ALA CA C 75 50.425 50.425 51.986 -1.561 19637 5203 1 7 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.287 0.236 19637 5204 1 7 . 1 1 75 75 ALA H H 75 8.086 8.086 8.017 0.069 19637 5205 1 7 . 1 1 76 76 THR N N 76 116.168 116.168 116.454 -0.286 19637 5206 1 7 . 1 1 76 76 THR C C 76 173.043 173.043 173.770 -0.727 19637 5207 1 7 . 1 1 76 76 THR CA C 76 60.540 60.540 61.674 -1.134 19637 5208 1 7 . 1 1 76 76 THR CB C 76 69.674 69.674 69.794 -0.120 19637 5209 1 7 . 1 1 76 76 THR H H 76 8.539 8.539 8.140 0.399 19637 5210 1 7 . 1 1 77 77 VAL N N 77 117.996 117.996 118.362 -0.366 19637 5211 1 7 . 1 1 77 77 VAL C C 77 174.964 174.964 173.053 1.911 19637 5212 1 7 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.666 -2.318 19637 5213 1 7 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.142 -0.116 19637 5214 1 7 . 1 1 77 77 VAL H H 77 8.578 8.578 7.686 0.892 19637 5215 1 7 . 1 1 78 78 HIS N N 78 116.541 116.541 118.442 -1.901 19637 5216 1 7 . 1 1 78 78 HIS C C 78 173.634 173.634 173.748 -0.114 19637 5217 1 7 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.384 -2.559 19637 5218 1 7 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.166 -2.219 19637 5219 1 7 . 1 1 78 78 HIS H H 78 7.822 7.822 8.627 -0.805 19637 5220 1 7 . 1 1 79 79 HIS N N 79 113.176 113.176 118.457 -5.281 19637 5221 1 7 . 1 1 79 79 HIS C C 79 173.841 173.841 172.775 1.066 19637 5222 1 7 . 1 1 79 79 HIS CA C 79 54.416 54.416 53.575 0.841 19637 5223 1 7 . 1 1 79 79 HIS CB C 79 34.026 34.026 33.263 0.763 19637 5224 1 7 . 1 1 79 79 HIS H H 79 7.912 7.912 8.764 -0.852 19637 5225 1 7 . 1 1 80 80 LEU N N 80 118.153 118.153 114.253 3.900 19637 5226 1 7 . 1 1 80 80 LEU C C 80 177.821 177.821 174.207 3.614 19637 5227 1 7 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.482 -2.323 19637 5228 1 7 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.884 2.379 19637 5229 1 7 . 1 1 80 80 LEU H H 80 8.205 8.205 8.371 -0.166 19637 5230 1 7 . 1 1 83 83 THR N N 83 115.326 115.326 116.182 -0.856 19637 5231 1 7 . 1 1 83 83 THR C C 83 171.362 171.362 173.232 -1.870 19637 5232 1 7 . 1 1 83 83 THR CA C 83 60.540 60.540 60.091 0.449 19637 5233 1 7 . 1 1 83 83 THR CB C 83 72.068 72.068 72.198 -0.130 19637 5234 1 7 . 1 1 83 83 THR H H 83 7.688 7.688 8.454 -0.766 19637 5235 1 7 . 1 1 84 84 LEU N N 84 129.848 129.848 124.734 5.114 19637 5236 1 7 . 1 1 84 84 LEU C C 84 174.373 174.373 174.066 0.307 19637 5237 1 7 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.208 -1.787 19637 5238 1 7 . 1 1 84 84 LEU CB C 84 44.756 44.756 46.359 -1.603 19637 5239 1 7 . 1 1 84 84 LEU H H 84 9.013 9.013 8.739 0.274 19637 5240 1 7 . 1 1 85 85 MET N N 85 121.374 121.374 122.330 -0.956 19637 5241 1 7 . 1 1 85 85 MET C C 85 175.407 175.407 174.315 1.092 19637 5242 1 7 . 1 1 85 85 MET CA C 85 52.421 52.421 54.353 -1.933 19637 5243 1 7 . 1 1 85 85 MET CB C 85 34.558 34.558 37.167 -2.609 19637 5244 1 7 . 1 1 85 85 MET H H 85 9.823 9.823 9.243 0.580 19637 5245 1 7 . 1 1 86 86 ALA N N 86 123.689 123.689 126.290 -2.601 19637 5246 1 7 . 1 1 86 86 ALA C C 86 176.205 176.205 175.654 0.551 19637 5247 1 7 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.744 -0.939 19637 5248 1 7 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.588 -1.637 19637 5249 1 7 . 1 1 86 86 ALA H H 86 9.080 9.080 8.828 0.252 19637 5250 1 7 . 1 1 87 87 GLN N N 87 116.548 116.548 124.472 -7.924 19637 5251 1 7 . 1 1 87 87 GLN C C 87 175.495 175.495 174.455 1.040 19637 5252 1 7 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.786 -1.428 19637 5253 1 7 . 1 1 87 87 GLN CB C 87 34.292 34.292 31.887 2.405 19637 5254 1 7 . 1 1 87 87 GLN H H 87 9.061 9.061 8.592 0.469 19637 5255 1 7 . 1 1 88 88 TRP N N 88 119.609 119.609 128.464 -8.855 19637 5256 1 7 . 1 1 88 88 TRP C C 88 174.727 174.727 173.466 1.261 19637 5257 1 7 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.812 -0.858 19637 5258 1 7 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.621 -3.142 19637 5259 1 7 . 1 1 88 88 TRP H H 88 8.893 8.893 7.689 1.204 19637 5260 1 7 . 1 1 89 89 TYR N N 89 124.849 124.849 120.669 4.180 19637 5261 1 7 . 1 1 89 89 TYR C C 89 176.382 176.382 172.729 3.653 19637 5262 1 7 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.976 -0.934 19637 5263 1 7 . 1 1 89 89 TYR H H 89 8.815 8.815 7.481 1.334 19637 5264 1 7 . 1 1 90 90 PHE N N 90 122.137 122.137 125.475 -3.338 19637 5265 1 7 . 1 1 90 90 PHE C C 90 176.304 176.304 175.068 1.236 19637 5266 1 7 . 1 1 90 90 PHE CA C 90 57.821 57.821 56.740 1.081 19637 5267 1 7 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.510 -2.050 19637 5268 1 7 . 1 1 90 90 PHE H H 90 9.171 9.171 8.322 0.849 19637 5269 1 7 . 1 1 91 91 GLY N N 91 108.961 108.961 106.920 2.041 19637 5270 1 7 . 1 1 91 91 GLY C C 91 172.748 172.748 172.948 -0.200 19637 5271 1 7 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.268 -0.937 19637 5272 1 7 . 1 1 91 91 GLY H H 91 9.342 9.342 7.661 1.681 19637 5273 1 7 . 1 1 92 92 ASP N N 92 119.869 119.869 118.971 0.898 19637 5274 1 7 . 1 1 92 92 ASP C C 92 175.968 175.968 174.294 1.674 19637 5275 1 7 . 1 1 92 92 ASP CA C 92 51.622 51.622 55.455 -3.833 19637 5276 1 7 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.532 0.031 19637 5277 1 7 . 1 1 92 92 ASP H H 92 8.612 8.612 8.079 0.533 19637 5278 1 7 . 1 1 93 93 ALA N N 93 117.665 117.665 122.206 -4.541 19637 5279 1 7 . 1 1 93 93 ALA C C 93 178.748 178.748 175.754 2.994 19637 5280 1 7 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.983 1.197 19637 5281 1 7 . 1 1 93 93 ALA CB C 93 16.911 16.911 21.410 -4.499 19637 5282 1 7 . 1 1 93 93 ALA H H 93 8.673 8.673 8.116 0.557 19637 5283 1 7 . 1 1 94 94 SER N N 94 115.062 115.062 115.269 -0.207 19637 5284 1 7 . 1 1 94 94 SER C C 94 175.348 175.348 173.995 1.353 19637 5285 1 7 . 1 1 94 94 SER CA C 94 58.185 58.185 57.810 0.374 19637 5286 1 7 . 1 1 94 94 SER CB C 94 62.757 62.757 63.469 -0.712 19637 5287 1 7 . 1 1 94 94 SER H H 94 8.902 8.902 8.507 0.395 19637 5288 1 7 . 1 1 95 95 SER N N 95 120.754 120.754 113.792 6.962 19637 5289 1 7 . 1 1 95 95 SER CA C 95 58.451 58.451 59.644 -1.193 19637 5290 1 7 . 1 1 95 95 SER CB C 95 62.580 62.580 62.260 0.320 19637 5291 1 7 . 1 1 95 95 SER H H 95 7.922 7.922 8.282 -0.360 19637 5292 1 7 . 1 1 96 96 LYS N N 96 120.924 120.924 116.695 4.229 19637 5293 1 7 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.450 -1.851 19637 5294 1 7 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.308 -1.942 19637 5295 1 7 . 1 1 96 96 LYS H H 96 8.555 8.555 7.266 1.289 19637 5296 1 7 . 1 1 97 97 PHE N N 97 117.773 117.773 117.844 -0.071 19637 5297 1 7 . 1 1 97 97 PHE CA C 97 54.688 54.688 54.966 -0.278 19637 5298 1 7 . 1 1 97 97 PHE CB C 97 40.322 40.322 39.144 1.178 19637 5299 1 7 . 1 1 97 97 PHE H H 97 7.596 7.596 7.019 0.577 19637 5300 1 7 . 1 1 98 98 ARG N N 98 120.982 120.982 122.419 -1.437 19637 5301 1 7 . 1 1 98 98 ARG C C 98 173.047 173.047 174.467 -1.420 19637 5302 1 7 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.665 -1.194 19637 5303 1 7 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.529 0.103 19637 5304 1 7 . 1 1 98 98 ARG H H 98 8.823 8.823 8.335 0.488 19637 5305 1 7 . 1 1 100 100 TYR N N 100 117.775 117.775 118.398 -0.623 19637 5306 1 7 . 1 1 100 100 TYR C C 100 173.047 173.047 174.689 -1.642 19637 5307 1 7 . 1 1 100 100 TYR CA C 100 54.954 54.954 55.726 -0.772 19637 5308 1 7 . 1 1 100 100 TYR CB C 100 39.524 39.524 37.131 2.393 19637 5309 1 7 . 1 1 100 100 TYR H H 100 8.885 8.885 8.107 0.778 19637 5310 1 7 . 1 1 101 101 VAL N N 101 111.744 111.744 122.800 -11.056 19637 5311 1 7 . 1 1 101 101 VAL C C 101 173.457 173.457 175.281 -1.824 19637 5312 1 7 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.883 -3.777 19637 5313 1 7 . 1 1 101 101 VAL CB C 101 34.381 34.381 29.584 4.797 19637 5314 1 7 . 1 1 101 101 VAL H H 101 8.365 8.365 7.332 1.033 19637 5315 1 7 . 1 1 102 102 GLY N N 102 108.300 108.300 113.735 -5.435 19637 5316 1 7 . 1 1 102 102 GLY C C 102 171.241 171.241 171.986 -0.745 19637 5317 1 7 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.378 0.594 19637 5318 1 7 . 1 1 102 102 GLY H H 102 8.271 8.271 8.319 -0.048 19637 5319 1 7 . 1 1 103 103 ALA N N 103 120.836 120.836 121.404 -0.568 19637 5320 1 7 . 1 1 103 103 ALA C C 103 175.614 175.614 175.516 0.098 19637 5321 1 7 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.003 -1.170 19637 5322 1 7 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.111 -0.393 19637 5323 1 7 . 1 1 103 103 ALA H H 103 9.048 9.048 8.340 0.708 19637 5324 1 7 . 1 1 104 104 GLY N N 104 107.477 107.477 110.845 -3.368 19637 5325 1 7 . 1 1 104 104 GLY C C 104 171.832 171.832 172.411 -0.579 19637 5326 1 7 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.279 3.200 19637 5327 1 7 . 1 1 104 104 GLY H H 104 8.661 8.661 8.540 0.121 19637 5328 1 7 . 1 1 105 105 ILE N N 105 118.575 118.575 124.432 -5.857 19637 5329 1 7 . 1 1 105 105 ILE C C 105 172.275 172.275 173.459 -1.184 19637 5330 1 7 . 1 1 105 105 ILE CA C 105 57.348 57.348 58.822 -1.474 19637 5331 1 7 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.590 0.062 19637 5332 1 7 . 1 1 105 105 ILE H H 105 9.020 9.020 9.232 -0.212 19637 5333 1 7 . 1 1 106 106 ASN N N 106 123.879 123.879 127.409 -3.530 19637 5334 1 7 . 1 1 106 106 ASN C C 106 171.418 171.418 174.209 -2.791 19637 5335 1 7 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.672 -0.088 19637 5336 1 7 . 1 1 106 106 ASN CB C 106 40.854 40.854 38.739 2.115 19637 5337 1 7 . 1 1 106 106 ASN H H 106 9.659 9.659 8.526 1.133 19637 5338 1 7 . 1 1 107 107 TYR N N 107 125.744 125.744 120.578 5.166 19637 5339 1 7 . 1 1 107 107 TYR C C 107 173.073 173.073 174.833 -1.760 19637 5340 1 7 . 1 1 107 107 TYR CA C 107 54.504 54.504 54.912 -0.408 19637 5341 1 7 . 1 1 107 107 TYR CB C 107 40.854 40.854 38.925 1.929 19637 5342 1 7 . 1 1 107 107 TYR H H 107 8.273 8.273 7.534 0.739 19637 5343 1 7 . 1 1 108 108 THR N N 108 119.337 119.337 118.121 1.216 19637 5344 1 7 . 1 1 108 108 THR C C 108 172.457 172.457 174.347 -1.890 19637 5345 1 7 . 1 1 108 108 THR CA C 108 60.452 60.452 60.275 0.177 19637 5346 1 7 . 1 1 108 108 THR CB C 108 69.319 69.319 70.430 -1.111 19637 5347 1 7 . 1 1 108 108 THR H H 108 8.446 8.446 8.518 -0.072 19637 5348 1 7 . 1 1 109 109 THR N N 109 118.655 118.655 116.282 2.373 19637 5349 1 7 . 1 1 109 109 THR C C 109 171.625 171.625 174.699 -3.074 19637 5350 1 7 . 1 1 109 109 THR CA C 109 56.810 56.810 59.705 -2.895 19637 5351 1 7 . 1 1 109 109 THR H H 109 7.548 7.548 8.024 -0.476 19637 5352 1 7 . 1 1 112 112 ASP N N 112 116.796 116.796 114.506 2.290 19637 5353 1 7 . 1 1 112 112 ASP C C 112 175.490 175.490 174.022 1.468 19637 5354 1 7 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.835 0.049 19637 5355 1 7 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.540 -4.878 19637 5356 1 7 . 1 1 112 112 ASP H H 112 8.995 8.995 8.071 0.924 19637 5357 1 7 . 1 1 113 113 ASN N N 113 117.801 117.801 121.077 -3.276 19637 5358 1 7 . 1 1 113 113 ASN C C 113 175.702 175.702 175.619 0.083 19637 5359 1 7 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.830 -3.094 19637 5360 1 7 . 1 1 113 113 ASN CB C 113 39.348 39.348 39.479 -0.131 19637 5361 1 7 . 1 1 113 113 ASN H H 113 8.410 8.410 8.782 -0.372 19637 5362 1 7 . 1 1 114 114 GLY N N 114 107.744 107.744 113.898 -6.154 19637 5363 1 7 . 1 1 114 114 GLY C C 114 171.979 171.979 175.011 -3.032 19637 5364 1 7 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.785 -0.991 19637 5365 1 7 . 1 1 114 114 GLY H H 114 8.557 8.557 8.722 -0.165 19637 5366 1 7 . 1 1 115 115 PHE N N 115 119.554 119.554 126.704 -7.150 19637 5367 1 7 . 1 1 115 115 PHE C C 115 176.192 176.192 174.310 1.882 19637 5368 1 7 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.527 -2.037 19637 5369 1 7 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.591 0.490 19637 5370 1 7 . 1 1 115 115 PHE H H 115 8.607 8.607 8.219 0.388 19637 5371 1 7 . 1 1 116 116 ASN N N 116 120.356 120.356 124.908 -4.552 19637 5372 1 7 . 1 1 116 116 ASN C C 116 175.407 175.407 174.719 0.688 19637 5373 1 7 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.810 -2.739 19637 5374 1 7 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.263 -4.222 19637 5375 1 7 . 1 1 116 116 ASN H H 116 8.240 8.240 7.422 0.818 19637 5376 1 7 . 1 1 117 117 ASP N N 117 117.610 117.610 120.112 -2.502 19637 5377 1 7 . 1 1 117 117 ASP C C 117 178.298 178.298 177.971 0.327 19637 5378 1 7 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.146 -0.798 19637 5379 1 7 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.712 -2.164 19637 5380 1 7 . 1 1 117 117 ASP H H 117 8.460 8.460 8.572 -0.112 19637 5381 1 7 . 1 1 118 118 HIS N N 118 118.493 118.493 117.866 0.627 19637 5382 1 7 . 1 1 118 118 HIS C C 118 177.821 177.821 177.218 0.603 19637 5383 1 7 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.506 -1.740 19637 5384 1 7 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.310 -3.583 19637 5385 1 7 . 1 1 118 118 HIS H H 118 8.185 8.185 8.324 -0.139 19637 5386 1 7 . 1 1 119 119 GLY N N 119 107.937 107.937 107.230 0.707 19637 5387 1 7 . 1 1 119 119 GLY C C 119 175.082 175.082 175.895 -0.813 19637 5388 1 7 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.955 -0.343 19637 5389 1 7 . 1 1 119 119 GLY H H 119 8.788 8.788 8.741 0.047 19637 5390 1 7 . 1 1 120 120 LYS N N 120 122.898 122.898 122.489 0.409 19637 5391 1 7 . 1 1 120 120 LYS C C 120 181.612 181.612 179.226 2.386 19637 5392 1 7 . 1 1 120 120 LYS CA C 120 58.717 58.717 58.965 -0.248 19637 5393 1 7 . 1 1 120 120 LYS CB C 120 30.656 30.656 31.711 -1.055 19637 5394 1 7 . 1 1 120 120 LYS H H 120 8.890 8.890 8.218 0.672 19637 5395 1 7 . 1 1 121 121 GLU N N 121 120.995 120.995 118.730 2.265 19637 5396 1 7 . 1 1 121 121 GLU C C 121 177.327 177.327 176.579 0.748 19637 5397 1 7 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.101 -0.448 19637 5398 1 7 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.508 -1.778 19637 5399 1 7 . 1 1 121 121 GLU H H 121 8.234 8.234 7.708 0.526 19637 5400 1 7 . 1 1 122 122 ALA N N 122 119.811 119.811 119.460 0.351 19637 5401 1 7 . 1 1 122 122 ALA C C 122 176.500 176.500 177.370 -0.870 19637 5402 1 7 . 1 1 122 122 ALA CA C 122 51.042 51.042 50.880 0.162 19637 5403 1 7 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.045 -2.335 19637 5404 1 7 . 1 1 122 122 ALA H H 122 7.259 7.259 7.189 0.070 19637 5405 1 7 . 1 1 123 123 GLY N N 123 103.863 103.863 107.335 -3.472 19637 5406 1 7 . 1 1 123 123 GLY C C 123 175.082 175.082 173.914 1.168 19637 5407 1 7 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.181 -1.917 19637 5408 1 7 . 1 1 123 123 GLY H H 123 7.745 7.745 7.844 -0.099 19637 5409 1 7 . 1 1 124 124 LEU N N 124 123.722 123.722 115.205 8.517 19637 5410 1 7 . 1 1 124 124 LEU C C 124 176.293 176.293 175.891 0.402 19637 5411 1 7 . 1 1 124 124 LEU CA C 124 53.269 53.269 52.810 0.459 19637 5412 1 7 . 1 1 124 124 LEU CB C 124 38.016 38.016 45.144 -7.128 19637 5413 1 7 . 1 1 124 124 LEU H H 124 7.461 7.461 7.750 -0.289 19637 5414 1 7 . 1 1 125 125 SER N N 125 114.112 114.112 114.437 -0.325 19637 5415 1 7 . 1 1 125 125 SER C C 125 173.250 173.250 173.042 0.208 19637 5416 1 7 . 1 1 125 125 SER CA C 125 57.259 57.259 59.616 -2.357 19637 5417 1 7 . 1 1 125 125 SER CB C 125 65.684 65.684 64.125 1.559 19637 5418 1 7 . 1 1 125 125 SER H H 125 8.809 8.809 8.600 0.209 19637 5419 1 7 . 1 1 126 126 ASP N N 126 117.817 117.817 121.727 -3.910 19637 5420 1 7 . 1 1 126 126 ASP C C 126 174.107 174.107 175.399 -1.292 19637 5421 1 7 . 1 1 126 126 ASP CA C 126 54.593 54.593 53.722 0.871 19637 5422 1 7 . 1 1 126 126 ASP CB C 126 38.726 38.726 41.325 -2.599 19637 5423 1 7 . 1 1 126 126 ASP H H 126 9.035 9.035 8.836 0.199 19637 5424 1 7 . 1 1 127 127 LEU N N 127 120.160 120.160 118.174 1.986 19637 5425 1 7 . 1 1 127 127 LEU C C 127 176.726 176.726 175.497 1.229 19637 5426 1 7 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.648 -1.277 19637 5427 1 7 . 1 1 127 127 LEU CB C 127 40.322 40.322 43.037 -2.715 19637 5428 1 7 . 1 1 127 127 LEU H H 127 8.109 8.109 7.730 0.379 19637 5429 1 7 . 1 1 128 128 SER N N 128 120.909 120.909 114.426 6.483 19637 5430 1 7 . 1 1 128 128 SER C C 128 172.038 172.038 174.246 -2.208 19637 5431 1 7 . 1 1 128 128 SER CA C 128 57.120 57.120 59.312 -2.192 19637 5432 1 7 . 1 1 128 128 SER CB C 128 64.353 64.353 62.778 1.575 19637 5433 1 7 . 1 1 128 128 SER H H 128 9.499 9.499 8.092 1.407 19637 5434 1 7 . 1 1 129 129 LEU N N 129 122.260 122.260 124.302 -2.042 19637 5435 1 7 . 1 1 129 129 LEU C C 129 176.411 176.411 177.657 -1.246 19637 5436 1 7 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.650 -1.811 19637 5437 1 7 . 1 1 129 129 LEU CB C 129 42.539 42.539 40.211 2.328 19637 5438 1 7 . 1 1 129 129 LEU H H 129 8.182 8.182 8.560 -0.378 19637 5439 1 7 . 1 1 130 130 LYS N N 130 122.490 122.490 125.617 -3.127 19637 5440 1 7 . 1 1 130 130 LYS C C 130 176.754 176.754 176.269 0.485 19637 5441 1 7 . 1 1 130 130 LYS CA C 130 55.042 55.042 56.163 -1.121 19637 5442 1 7 . 1 1 130 130 LYS CB C 130 32.518 32.518 34.047 -1.529 19637 5443 1 7 . 1 1 130 130 LYS H H 130 7.536 7.536 8.542 -1.006 19637 5444 1 7 . 1 1 131 131 ASP N N 131 123.217 123.217 119.093 4.124 19637 5445 1 7 . 1 1 131 131 ASP C C 131 175.998 175.998 175.981 0.017 19637 5446 1 7 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.590 -0.130 19637 5447 1 7 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.806 -1.573 19637 5448 1 7 . 1 1 131 131 ASP H H 131 8.782 8.782 8.630 0.152 19637 5449 1 7 . 1 1 132 132 SER N N 132 115.445 115.445 114.434 1.011 19637 5450 1 7 . 1 1 132 132 SER C C 132 171.920 171.920 173.622 -1.702 19637 5451 1 7 . 1 1 132 132 SER CA C 132 55.790 55.790 57.949 -2.159 19637 5452 1 7 . 1 1 132 132 SER CB C 132 64.087 64.087 64.192 -0.105 19637 5453 1 7 . 1 1 132 132 SER H H 132 9.016 9.016 8.351 0.665 19637 5454 1 7 . 1 1 133 133 TRP N N 133 124.389 124.389 125.784 -1.395 19637 5455 1 7 . 1 1 133 133 TRP C C 133 178.243 178.243 175.086 3.157 19637 5456 1 7 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.247 1.062 19637 5457 1 7 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.048 0.353 19637 5458 1 7 . 1 1 133 133 TRP H H 133 7.896 7.896 8.090 -0.194 19637 5459 1 7 . 1 1 134 134 GLY N N 134 107.658 107.658 110.059 -2.401 19637 5460 1 7 . 1 1 134 134 GLY C C 134 171.123 171.123 172.474 -1.351 19637 5461 1 7 . 1 1 134 134 GLY CA C 134 44.750 44.750 45.384 -0.634 19637 5462 1 7 . 1 1 134 134 GLY H H 134 8.896 8.896 8.294 0.602 19637 5463 1 7 . 1 1 135 135 ALA N N 135 122.244 122.244 127.608 -5.364 19637 5464 1 7 . 1 1 135 135 ALA C C 135 174.875 174.875 176.074 -1.199 19637 5465 1 7 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.952 0.189 19637 5466 1 7 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.623 -1.317 19637 5467 1 7 . 1 1 135 135 ALA H H 135 8.946 8.946 8.607 0.339 19637 5468 1 7 . 1 1 136 136 ALA N N 136 118.579 118.579 125.571 -6.992 19637 5469 1 7 . 1 1 136 136 ALA C C 136 175.434 175.434 175.674 -0.240 19637 5470 1 7 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.518 -2.024 19637 5471 1 7 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.666 1.541 19637 5472 1 7 . 1 1 136 136 ALA H H 136 8.111 8.111 8.310 -0.199 19637 5473 1 7 . 1 1 137 137 GLY N N 137 105.005 105.005 107.211 -2.206 19637 5474 1 7 . 1 1 137 137 GLY C C 137 171.300 171.300 173.929 -2.629 19637 5475 1 7 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.812 -1.629 19637 5476 1 7 . 1 1 137 137 GLY H H 137 8.933 8.933 8.396 0.537 19637 5477 1 7 . 1 1 138 138 GLN N N 138 115.695 115.695 124.963 -9.268 19637 5478 1 7 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.068 -0.805 19637 5479 1 7 . 1 1 138 138 GLN H H 138 8.559 8.559 8.482 0.077 19637 5480 1 7 . 1 1 140 140 GLY N N 140 110.307 110.307 113.311 -3.004 19637 5481 1 7 . 1 1 140 140 GLY C C 140 171.329 171.329 173.819 -2.490 19637 5482 1 7 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.411 0.206 19637 5483 1 7 . 1 1 140 140 GLY H H 140 7.936 7.936 8.486 -0.550 19637 5484 1 7 . 1 1 141 141 VAL N N 141 112.233 112.233 121.455 -9.222 19637 5485 1 7 . 1 1 141 141 VAL C C 141 171.979 171.979 174.368 -2.389 19637 5486 1 7 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.828 0.086 19637 5487 1 7 . 1 1 141 141 VAL CB C 141 33.937 33.937 33.921 0.016 19637 5488 1 7 . 1 1 141 141 VAL H H 141 8.646 8.646 8.800 -0.154 19637 5489 1 7 . 1 1 142 142 ASP N N 142 122.520 122.520 125.190 -2.670 19637 5490 1 7 . 1 1 142 142 ASP C C 142 175.259 175.259 174.293 0.966 19637 5491 1 7 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.434 -0.723 19637 5492 1 7 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.579 -1.799 19637 5493 1 7 . 1 1 142 142 ASP H H 142 7.402 7.402 8.069 -0.667 19637 5494 1 7 . 1 1 143 143 TYR N N 143 122.331 122.331 119.755 2.576 19637 5495 1 7 . 1 1 143 143 TYR C C 143 173.870 173.870 174.408 -0.538 19637 5496 1 7 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.917 -1.969 19637 5497 1 7 . 1 1 143 143 TYR CB C 143 40.765 40.765 42.628 -1.863 19637 5498 1 7 . 1 1 143 143 TYR H H 143 9.396 9.396 8.883 0.513 19637 5499 1 7 . 1 1 144 144 LEU N N 144 130.341 130.341 125.613 4.728 19637 5500 1 7 . 1 1 144 144 LEU C C 144 174.786 174.786 176.049 -1.263 19637 5501 1 7 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.345 0.179 19637 5502 1 7 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.148 -1.471 19637 5503 1 7 . 1 1 144 144 LEU H H 144 8.313 8.313 9.022 -0.709 19637 5504 1 7 . 1 1 145 145 ILE N N 145 124.602 124.602 127.220 -2.618 19637 5505 1 7 . 1 1 145 145 ILE C C 145 177.593 177.593 176.780 0.813 19637 5506 1 7 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.826 -2.729 19637 5507 1 7 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.790 -1.926 19637 5508 1 7 . 1 1 145 145 ILE H H 145 8.809 8.809 8.472 0.337 19637 5509 1 7 . 1 1 146 146 ASN N N 146 118.348 118.348 119.155 -0.807 19637 5510 1 7 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.705 -1.387 19637 5511 1 7 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.560 -2.608 19637 5512 1 7 . 1 1 146 146 ASN H H 146 8.362 8.362 8.104 0.258 19637 5513 1 7 . 1 1 147 147 ARG N N 147 113.940 113.940 119.551 -5.611 19637 5514 1 7 . 1 1 147 147 ARG C C 147 176.470 176.470 175.601 0.869 19637 5515 1 7 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.242 0.341 19637 5516 1 7 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.623 -1.918 19637 5517 1 7 . 1 1 147 147 ARG H H 147 8.072 8.072 8.813 -0.741 19637 5518 1 7 . 1 1 148 148 ASP N N 148 112.938 112.938 116.020 -3.082 19637 5519 1 7 . 1 1 148 148 ASP C C 148 174.373 174.373 173.909 0.464 19637 5520 1 7 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.829 0.498 19637 5521 1 7 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.551 1.077 19637 5522 1 7 . 1 1 148 148 ASP H H 148 7.668 7.668 8.282 -0.614 19637 5523 1 7 . 1 1 149 149 TRP N N 149 116.148 116.148 118.344 -2.196 19637 5524 1 7 . 1 1 149 149 TRP C C 149 175.574 175.574 174.613 0.961 19637 5525 1 7 . 1 1 149 149 TRP CA C 149 55.486 55.486 56.150 -0.664 19637 5526 1 7 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.585 0.135 19637 5527 1 7 . 1 1 149 149 TRP H H 149 7.788 7.788 7.684 0.104 19637 5528 1 7 . 1 1 150 150 LEU N N 150 118.106 118.106 121.474 -3.368 19637 5529 1 7 . 1 1 150 150 LEU C C 150 175.141 175.141 175.246 -0.105 19637 5530 1 7 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.898 -1.743 19637 5531 1 7 . 1 1 150 150 LEU CB C 150 44.401 44.401 46.032 -1.631 19637 5532 1 7 . 1 1 150 150 LEU H H 150 9.306 9.306 9.066 0.240 19637 5533 1 7 . 1 1 151 151 VAL N N 151 115.211 115.211 118.735 -3.524 19637 5534 1 7 . 1 1 151 151 VAL C C 151 173.524 173.524 173.488 0.036 19637 5535 1 7 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.013 -1.714 19637 5536 1 7 . 1 1 151 151 VAL CB C 151 33.849 33.849 36.059 -2.210 19637 5537 1 7 . 1 1 151 151 VAL H H 151 9.293 9.293 8.626 0.667 19637 5538 1 7 . 1 1 152 152 ASN N N 152 124.526 124.526 126.266 -1.740 19637 5539 1 7 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.770 -1.015 19637 5540 1 7 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.688 -0.060 19637 5541 1 7 . 1 1 152 152 ASN H H 152 8.893 8.893 9.028 -0.135 19637 5542 1 7 . 1 1 153 153 MET N N 153 118.533 118.533 123.292 -4.759 19637 5543 1 7 . 1 1 153 153 MET C C 153 173.987 173.987 174.185 -0.198 19637 5544 1 7 . 1 1 153 153 MET CA C 153 54.017 54.017 55.508 -1.491 19637 5545 1 7 . 1 1 153 153 MET CB C 153 36.243 36.243 37.282 -1.039 19637 5546 1 7 . 1 1 153 153 MET H H 153 8.003 8.003 9.081 -1.078 19637 5547 1 7 . 1 1 154 154 SER N N 154 113.225 113.225 116.492 -3.267 19637 5548 1 7 . 1 1 154 154 SER C C 154 172.120 172.120 172.654 -0.534 19637 5549 1 7 . 1 1 154 154 SER CA C 154 56.550 56.550 57.047 -0.497 19637 5550 1 7 . 1 1 154 154 SER CB C 154 64.619 64.619 67.514 -2.895 19637 5551 1 7 . 1 1 154 154 SER H H 154 9.191 9.191 9.009 0.182 19637 5552 1 7 . 1 1 155 155 VAL N N 155 119.543 119.543 118.798 0.745 19637 5553 1 7 . 1 1 155 155 VAL C C 155 173.973 173.973 173.879 0.094 19637 5554 1 7 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.761 -2.379 19637 5555 1 7 . 1 1 155 155 VAL H H 155 9.190 9.190 8.398 0.792 19637 5556 1 7 . 1 1 156 156 TRP N N 156 124.596 124.596 126.351 -1.755 19637 5557 1 7 . 1 1 156 156 TRP C C 156 175.237 175.237 175.599 -0.362 19637 5558 1 7 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.526 -2.263 19637 5559 1 7 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.778 2.450 19637 5560 1 7 . 1 1 156 156 TRP H H 156 9.883 9.883 8.656 1.227 19637 5561 1 7 . 1 1 160 160 ILE N N 160 123.211 123.211 118.860 4.351 19637 5562 1 7 . 1 1 160 160 ILE C C 160 173.545 173.545 174.354 -0.809 19637 5563 1 7 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.617 0.652 19637 5564 1 7 . 1 1 160 160 ILE H H 160 7.948 7.948 7.740 0.208 19637 5565 1 7 . 1 1 161 161 ASP N N 161 128.357 128.357 127.437 0.920 19637 5566 1 7 . 1 1 161 161 ASP CA C 161 52.421 52.421 52.950 -0.529 19637 5567 1 7 . 1 1 161 161 ASP CB C 161 41.830 41.830 44.301 -2.471 19637 5568 1 7 . 1 1 161 161 ASP H H 161 8.302 8.302 8.052 0.250 19637 5569 1 7 . 1 1 162 162 THR N N 162 117.472 117.472 115.799 1.673 19637 5570 1 7 . 1 1 162 162 THR CA C 162 57.259 57.259 61.194 -3.935 19637 5571 1 7 . 1 1 162 162 THR CB C 162 68.167 68.167 71.189 -3.022 19637 5572 1 7 . 1 1 162 162 THR H H 162 8.788 8.788 8.079 0.709 19637 5573 1 7 . 1 1 163 163 THR N N 163 120.189 120.189 116.088 4.101 19637 5574 1 7 . 1 1 163 163 THR CA C 163 60.629 60.629 61.028 -0.399 19637 5575 1 7 . 1 1 163 163 THR CB C 163 68.278 68.278 72.538 -4.260 19637 5576 1 7 . 1 1 163 163 THR H H 163 8.429 8.429 8.598 -0.169 19637 5577 1 7 . 1 1 164 164 ALA N N 164 127.991 127.991 124.707 3.284 19637 5578 1 7 . 1 1 164 164 ALA C C 164 174.993 174.993 174.912 0.081 19637 5579 1 7 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.856 -1.666 19637 5580 1 7 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.473 -3.522 19637 5581 1 7 . 1 1 164 164 ALA H H 164 9.428 9.428 8.969 0.459 19637 5582 1 7 . 1 1 165 165 ASN N N 165 122.214 122.214 121.726 0.488 19637 5583 1 7 . 1 1 165 165 ASN C C 165 173.047 173.047 173.229 -0.182 19637 5584 1 7 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.323 -2.182 19637 5585 1 7 . 1 1 165 165 ASN CB C 165 40.056 40.056 41.033 -0.977 19637 5586 1 7 . 1 1 165 165 ASN H H 165 9.216 9.216 8.197 1.019 19637 5587 1 7 . 1 1 166 166 TYR N N 166 116.330 116.330 120.062 -3.732 19637 5588 1 7 . 1 1 166 166 TYR C C 166 172.260 172.260 173.164 -0.904 19637 5589 1 7 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.511 -0.114 19637 5590 1 7 . 1 1 166 166 TYR CB C 166 37.662 37.662 41.321 -3.659 19637 5591 1 7 . 1 1 166 166 TYR H H 166 7.816 7.816 7.937 -0.121 19637 5592 1 7 . 1 1 167 167 LYS N N 167 117.734 117.734 120.339 -2.605 19637 5593 1 7 . 1 1 167 167 LYS C C 167 174.760 174.760 175.505 -0.745 19637 5594 1 7 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.303 -0.552 19637 5595 1 7 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.413 0.968 19637 5596 1 7 . 1 1 167 167 LYS H H 167 9.100 9.100 8.440 0.660 19637 5597 1 7 . 1 1 168 168 LEU N N 168 121.623 121.623 120.468 1.155 19637 5598 1 7 . 1 1 168 168 LEU C C 168 177.877 177.877 177.291 0.586 19637 5599 1 7 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.327 -1.818 19637 5600 1 7 . 1 1 168 168 LEU CB C 168 42.894 42.894 40.194 2.700 19637 5601 1 7 . 1 1 168 168 LEU H H 168 8.372 8.372 7.993 0.379 19637 5602 1 7 . 1 1 169 169 GLY N N 169 119.264 119.264 111.488 7.776 19637 5603 1 7 . 1 1 169 169 GLY C C 169 175.602 175.602 174.869 0.733 19637 5604 1 7 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.015 1.242 19637 5605 1 7 . 1 1 169 169 GLY H H 169 9.603 9.603 8.483 1.120 19637 5606 1 7 . 1 1 170 170 GLY N N 170 104.659 104.659 105.170 -0.511 19637 5607 1 7 . 1 1 170 170 GLY C C 170 172.570 172.570 173.183 -0.613 19637 5608 1 7 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.872 -0.832 19637 5609 1 7 . 1 1 170 170 GLY H H 170 8.381 8.381 8.107 0.274 19637 5610 1 7 . 1 1 171 171 ALA N N 171 123.570 123.570 123.063 0.507 19637 5611 1 7 . 1 1 171 171 ALA C C 171 177.569 177.569 176.803 0.766 19637 5612 1 7 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.545 -0.652 19637 5613 1 7 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.803 -1.473 19637 5614 1 7 . 1 1 171 171 ALA H H 171 7.650 7.650 7.794 -0.144 19637 5615 1 7 . 1 1 172 172 GLN N N 172 124.057 124.057 121.999 2.058 19637 5616 1 7 . 1 1 172 172 GLN C C 172 174.869 174.869 175.259 -0.390 19637 5617 1 7 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.941 0.077 19637 5618 1 7 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.406 0.767 19637 5619 1 7 . 1 1 172 172 GLN H H 172 8.840 8.840 8.590 0.250 19637 5620 1 7 . 1 1 173 173 GLN N N 173 124.328 124.328 126.119 -1.791 19637 5621 1 7 . 1 1 173 173 GLN C C 173 174.953 174.953 175.061 -0.108 19637 5622 1 7 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.199 -3.044 19637 5623 1 7 . 1 1 173 173 GLN CB C 173 29.415 29.415 31.614 -2.199 19637 5624 1 7 . 1 1 173 173 GLN H H 173 9.023 9.023 8.388 0.635 19637 5625 1 7 . 1 1 174 174 HIS N N 174 115.629 115.629 116.672 -1.043 19637 5626 1 7 . 1 1 174 174 HIS C C 174 173.103 173.103 173.703 -0.600 19637 5627 1 7 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.320 -1.874 19637 5628 1 7 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.289 -1.608 19637 5629 1 7 . 1 1 174 174 HIS H H 174 8.227 8.227 8.658 -0.431 19637 5630 1 7 . 1 1 175 175 ASP N N 175 120.615 120.615 124.783 -4.168 19637 5631 1 7 . 1 1 175 175 ASP C C 175 175.013 175.013 174.996 0.017 19637 5632 1 7 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.518 -0.787 19637 5633 1 7 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.659 0.452 19637 5634 1 7 . 1 1 175 175 ASP H H 175 8.964 8.964 8.709 0.255 19637 5635 1 7 . 1 1 176 176 SER N N 176 118.175 118.175 119.888 -1.713 19637 5636 1 7 . 1 1 176 176 SER C C 176 173.496 173.496 174.027 -0.531 19637 5637 1 7 . 1 1 176 176 SER CA C 176 57.697 57.697 57.219 0.478 19637 5638 1 7 . 1 1 176 176 SER CB C 176 62.757 62.757 64.073 -1.316 19637 5639 1 7 . 1 1 176 176 SER H H 176 9.137 9.137 8.499 0.638 19637 5640 1 7 . 1 1 177 177 VAL N N 177 123.737 123.737 125.373 -1.636 19637 5641 1 7 . 1 1 177 177 VAL C C 177 173.398 173.398 175.210 -1.812 19637 5642 1 7 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.606 -1.329 19637 5643 1 7 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.882 -0.364 19637 5644 1 7 . 1 1 177 177 VAL H H 177 8.492 8.492 8.445 0.047 19637 5645 1 7 . 1 1 178 178 ARG N N 178 127.628 127.628 123.062 4.566 19637 5646 1 7 . 1 1 178 178 ARG C C 178 175.097 175.097 175.281 -0.184 19637 5647 1 7 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.078 -1.061 19637 5648 1 7 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.930 -3.781 19637 5649 1 7 . 1 1 178 178 ARG H H 178 8.513 8.513 8.319 0.194 19637 5650 1 7 . 1 1 182 182 TRP N N 182 115.616 115.616 122.632 -7.016 19637 5651 1 7 . 1 1 182 182 TRP C C 182 176.613 176.613 175.469 1.144 19637 5652 1 7 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.641 -1.413 19637 5653 1 7 . 1 1 182 182 TRP CB C 182 31.809 31.809 29.995 1.814 19637 5654 1 7 . 1 1 182 182 TRP H H 182 7.491 7.491 7.940 -0.449 19637 5655 1 7 . 1 1 183 183 VAL N N 183 121.618 121.618 111.895 9.723 19637 5656 1 7 . 1 1 183 183 VAL CA C 183 58.628 58.628 58.589 0.039 19637 5657 1 7 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.375 -2.679 19637 5658 1 7 . 1 1 183 183 VAL H H 183 9.372 9.372 8.260 1.112 19637 5659 1 7 . 1 1 185 185 MET N N 185 129.032 129.032 125.478 3.554 19637 5660 1 7 . 1 1 185 185 MET C C 185 172.186 172.186 173.881 -1.695 19637 5661 1 7 . 1 1 185 185 MET CA C 185 53.091 53.091 54.966 -1.875 19637 5662 1 7 . 1 1 185 185 MET CB C 185 33.405 33.405 34.852 -1.447 19637 5663 1 7 . 1 1 185 185 MET H H 185 9.615 9.615 8.839 0.776 19637 5664 1 7 . 1 1 186 186 PHE N N 186 124.085 124.085 121.791 2.294 19637 5665 1 7 . 1 1 186 186 PHE C C 186 174.816 174.816 173.231 1.585 19637 5666 1 7 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.959 -0.828 19637 5667 1 7 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.886 -1.298 19637 5668 1 7 . 1 1 186 186 PHE H H 186 7.976 7.976 8.227 -0.251 19637 5669 1 7 . 1 1 187 187 SER N N 187 116.369 116.369 115.635 0.734 19637 5670 1 7 . 1 1 187 187 SER C C 187 171.305 171.305 172.642 -1.337 19637 5671 1 7 . 1 1 187 187 SER CA C 187 57.348 57.348 58.012 -0.664 19637 5672 1 7 . 1 1 187 187 SER CB C 187 66.127 66.127 66.720 -0.593 19637 5673 1 7 . 1 1 187 187 SER H H 187 9.355 9.355 8.775 0.580 19637 5674 1 7 . 1 1 188 188 ALA N N 188 119.248 119.248 122.326 -3.078 19637 5675 1 7 . 1 1 188 188 ALA C C 188 175.996 175.996 176.372 -0.376 19637 5676 1 7 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.230 -2.145 19637 5677 1 7 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.593 0.486 19637 5678 1 7 . 1 1 188 188 ALA H H 188 8.300 8.300 8.262 0.038 19637 5679 1 7 . 1 1 189 189 GLY N N 189 104.914 104.914 106.079 -1.165 19637 5680 1 7 . 1 1 189 189 GLY C C 189 170.650 170.650 172.532 -1.882 19637 5681 1 7 . 1 1 189 189 GLY CA C 189 44.046 44.046 44.282 -0.236 19637 5682 1 7 . 1 1 189 189 GLY H H 189 9.235 9.235 8.313 0.922 19637 5683 1 7 . 1 1 190 190 TYR N N 190 121.149 121.149 126.375 -5.226 19637 5684 1 7 . 1 1 190 190 TYR C C 190 173.608 173.608 174.961 -1.353 19637 5685 1 7 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.301 -1.171 19637 5686 1 7 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.519 -1.157 19637 5687 1 7 . 1 1 190 190 TYR H H 190 8.865 8.865 9.049 -0.184 19637 5688 1 7 . 1 1 191 191 ARG N N 191 125.697 125.697 125.508 0.189 19637 5689 1 7 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.891 -3.362 19637 5690 1 7 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.139 -0.192 19637 5691 1 7 . 1 1 191 191 ARG H H 191 7.469 7.469 8.806 -1.337 19637 5692 1 8 . 1 1 2 2 HIS N N 2 119.214 119.214 119.522 -0.308 19637 5693 1 8 . 1 1 2 2 HIS C C 2 171.081 171.081 174.142 -3.061 19637 5694 1 8 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.954 -3.666 19637 5695 1 8 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.149 -6.853 19637 5696 1 8 . 1 1 2 2 HIS H H 2 8.422 8.422 8.586 -0.164 19637 5697 1 8 . 1 1 3 3 GLU N N 3 113.500 113.500 118.040 -4.540 19637 5698 1 8 . 1 1 3 3 GLU C C 3 174.619 174.619 175.130 -0.511 19637 5699 1 8 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.743 -1.081 19637 5700 1 8 . 1 1 3 3 GLU CB C 3 29.415 29.415 32.886 -3.471 19637 5701 1 8 . 1 1 3 3 GLU H H 3 6.642 6.642 7.619 -0.977 19637 5702 1 8 . 1 1 4 4 ALA N N 4 120.680 120.680 123.518 -2.838 19637 5703 1 8 . 1 1 4 4 ALA C C 4 178.439 178.439 177.767 0.672 19637 5704 1 8 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.750 -0.374 19637 5705 1 8 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.084 -0.641 19637 5706 1 8 . 1 1 4 4 ALA H H 4 8.701 8.701 8.494 0.207 19637 5707 1 8 . 1 1 5 5 GLY N N 5 112.786 112.786 108.773 4.013 19637 5708 1 8 . 1 1 5 5 GLY C C 5 173.309 173.309 173.418 -0.109 19637 5709 1 8 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.706 -1.153 19637 5710 1 8 . 1 1 5 5 GLY H H 5 9.294 9.294 8.339 0.955 19637 5711 1 8 . 1 1 6 6 GLU N N 6 121.755 121.755 121.300 0.455 19637 5712 1 8 . 1 1 6 6 GLU C C 6 173.693 173.693 174.801 -1.108 19637 5713 1 8 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.848 0.170 19637 5714 1 8 . 1 1 6 6 GLU CB C 6 31.188 31.188 29.917 1.271 19637 5715 1 8 . 1 1 6 6 GLU H H 6 7.955 7.955 8.011 -0.056 19637 5716 1 8 . 1 1 7 7 PHE N N 7 124.802 124.802 124.624 0.178 19637 5717 1 8 . 1 1 7 7 PHE C C 7 174.039 174.039 174.853 -0.814 19637 5718 1 8 . 1 1 7 7 PHE CA C 7 54.333 54.333 54.642 -0.309 19637 5719 1 8 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.108 1.633 19637 5720 1 8 . 1 1 7 7 PHE H H 7 8.648 8.648 8.324 0.324 19637 5721 1 8 . 1 1 8 8 PHE N N 8 121.132 121.132 121.457 -0.325 19637 5722 1 8 . 1 1 8 8 PHE C C 8 171.861 171.861 173.220 -1.359 19637 5723 1 8 . 1 1 8 8 PHE CA C 8 54.549 54.549 55.679 -1.130 19637 5724 1 8 . 1 1 8 8 PHE CB C 8 40.677 40.677 42.812 -2.135 19637 5725 1 8 . 1 1 8 8 PHE H H 8 8.574 8.574 8.988 -0.414 19637 5726 1 8 . 1 1 9 9 MET N N 9 120.391 120.391 118.179 2.212 19637 5727 1 8 . 1 1 9 9 MET C C 9 174.166 174.166 174.296 -0.130 19637 5728 1 8 . 1 1 9 9 MET CA C 9 52.199 52.199 54.147 -1.948 19637 5729 1 8 . 1 1 9 9 MET CB C 9 37.307 37.307 36.638 0.669 19637 5730 1 8 . 1 1 9 9 MET H H 9 8.541 8.541 9.404 -0.863 19637 5731 1 8 . 1 1 10 10 ARG N N 10 117.892 117.892 118.853 -0.961 19637 5732 1 8 . 1 1 10 10 ARG C C 10 175.289 175.289 173.683 1.606 19637 5733 1 8 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.298 -0.852 19637 5734 1 8 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.539 -3.174 19637 5735 1 8 . 1 1 10 10 ARG H H 10 8.357 8.357 8.723 -0.366 19637 5736 1 8 . 1 1 11 11 ALA N N 11 119.664 119.664 124.215 -4.551 19637 5737 1 8 . 1 1 11 11 ALA C C 11 176.057 176.057 177.176 -1.119 19637 5738 1 8 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.902 -2.270 19637 5739 1 8 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.885 1.633 19637 5740 1 8 . 1 1 11 11 ALA H H 11 9.154 9.154 8.382 0.772 19637 5741 1 8 . 1 1 12 12 GLY N N 12 106.262 106.262 109.082 -2.820 19637 5742 1 8 . 1 1 12 12 GLY C C 12 172.068 172.068 173.875 -1.807 19637 5743 1 8 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.089 0.060 19637 5744 1 8 . 1 1 12 12 GLY H H 12 8.655 8.655 8.367 0.288 19637 5745 1 8 . 1 1 13 13 SER N N 13 116.893 116.893 122.488 -5.595 19637 5746 1 8 . 1 1 13 13 SER C C 13 173.604 173.604 172.046 1.558 19637 5747 1 8 . 1 1 13 13 SER CA C 13 56.367 56.367 58.105 -1.738 19637 5748 1 8 . 1 1 13 13 SER CB C 13 64.087 64.087 63.396 0.691 19637 5749 1 8 . 1 1 13 13 SER H H 13 8.644 8.644 8.571 0.073 19637 5750 1 8 . 1 1 14 14 ALA N N 14 125.234 125.234 125.988 -0.754 19637 5751 1 8 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.157 -0.531 19637 5752 1 8 . 1 1 14 14 ALA CB C 14 18.330 18.330 21.569 -3.239 19637 5753 1 8 . 1 1 14 14 ALA H H 14 9.120 9.120 7.970 1.150 19637 5754 1 8 . 1 1 15 15 THR N N 15 121.303 121.303 116.653 4.650 19637 5755 1 8 . 1 1 15 15 THR C C 15 175.230 175.230 174.475 0.755 19637 5756 1 8 . 1 1 15 15 THR CA C 15 60.895 60.895 60.689 0.206 19637 5757 1 8 . 1 1 15 15 THR CB C 15 70.029 70.029 69.602 0.427 19637 5758 1 8 . 1 1 15 15 THR H H 15 9.351 9.351 8.797 0.554 19637 5759 1 8 . 1 1 16 16 VAL N N 16 126.781 126.781 122.882 3.899 19637 5760 1 8 . 1 1 16 16 VAL C C 16 174.432 174.432 175.705 -1.273 19637 5761 1 8 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.169 -1.363 19637 5762 1 8 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.125 -1.203 19637 5763 1 8 . 1 1 16 16 VAL H H 16 9.110 9.110 8.565 0.545 19637 5764 1 8 . 1 1 17 17 ARG N N 17 129.806 129.806 125.558 4.248 19637 5765 1 8 . 1 1 17 17 ARG C C 17 173.440 173.440 173.884 -0.444 19637 5766 1 8 . 1 1 17 17 ARG CA C 17 51.407 51.407 55.146 -3.739 19637 5767 1 8 . 1 1 17 17 ARG CB C 17 30.302 30.302 29.795 0.507 19637 5768 1 8 . 1 1 17 17 ARG H H 17 9.325 9.325 8.391 0.934 19637 5769 1 8 . 1 1 19 19 THR N N 19 114.402 114.402 110.115 4.287 19637 5770 1 8 . 1 1 19 19 THR CA C 19 61.022 61.022 62.728 -1.706 19637 5771 1 8 . 1 1 19 19 THR CB C 19 69.142 69.142 69.061 0.081 19637 5772 1 8 . 1 1 19 19 THR H H 19 8.021 8.021 7.603 0.418 19637 5773 1 8 . 1 1 20 20 GLU N N 20 123.598 123.598 119.904 3.694 19637 5774 1 8 . 1 1 20 20 GLU C C 20 177.007 177.007 176.114 0.893 19637 5775 1 8 . 1 1 20 20 GLU CA C 20 55.480 55.480 55.471 0.009 19637 5776 1 8 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.346 -2.552 19637 5777 1 8 . 1 1 20 20 GLU H H 20 8.601 8.601 8.451 0.150 19637 5778 1 8 . 1 1 21 21 GLY N N 21 110.237 110.237 108.173 2.064 19637 5779 1 8 . 1 1 21 21 GLY C C 21 174.077 174.077 173.235 0.842 19637 5780 1 8 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.589 -0.928 19637 5781 1 8 . 1 1 21 21 GLY H H 21 8.530 8.530 8.401 0.129 19637 5782 1 8 . 1 1 22 22 ALA N N 22 123.476 123.476 123.371 0.105 19637 5783 1 8 . 1 1 22 22 ALA C C 22 178.158 178.158 176.734 1.424 19637 5784 1 8 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.036 -0.281 19637 5785 1 8 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.414 -1.636 19637 5786 1 8 . 1 1 22 22 ALA H H 22 8.279 8.279 8.312 -0.033 19637 5787 1 8 . 1 1 23 23 GLY N N 23 107.265 107.265 108.752 -1.487 19637 5788 1 8 . 1 1 23 23 GLY C C 23 174.727 174.727 174.202 0.525 19637 5789 1 8 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.605 -1.165 19637 5790 1 8 . 1 1 23 23 GLY H H 23 8.452 8.452 8.181 0.271 19637 5791 1 8 . 1 1 24 24 GLY N N 24 108.306 108.306 109.975 -1.669 19637 5792 1 8 . 1 1 24 24 GLY C C 24 174.786 174.786 174.291 0.495 19637 5793 1 8 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.370 -0.930 19637 5794 1 8 . 1 1 24 24 GLY H H 24 8.221 8.221 7.876 0.345 19637 5795 1 8 . 1 1 25 25 THR N N 25 114.381 114.381 114.309 0.072 19637 5796 1 8 . 1 1 25 25 THR C C 25 175.170 175.170 174.439 0.731 19637 5797 1 8 . 1 1 25 25 THR CA C 25 61.599 61.599 62.131 -0.532 19637 5798 1 8 . 1 1 25 25 THR CB C 25 68.521 68.521 69.162 -0.641 19637 5799 1 8 . 1 1 25 25 THR H H 25 8.213 8.213 8.317 -0.104 19637 5800 1 8 . 1 1 26 26 LEU N N 26 123.038 123.038 120.879 2.159 19637 5801 1 8 . 1 1 26 26 LEU C C 26 177.918 177.918 175.943 1.975 19637 5802 1 8 . 1 1 26 26 LEU CA C 26 54.682 54.682 56.035 -1.353 19637 5803 1 8 . 1 1 26 26 LEU CB C 26 40.145 40.145 40.846 -0.702 19637 5804 1 8 . 1 1 26 26 LEU H H 26 8.425 8.425 8.459 -0.034 19637 5805 1 8 . 1 1 27 27 GLY N N 27 108.786 108.786 110.872 -2.086 19637 5806 1 8 . 1 1 27 27 GLY C C 27 175.023 175.023 173.420 1.603 19637 5807 1 8 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.232 -0.393 19637 5808 1 8 . 1 1 27 27 GLY H H 27 8.260 8.260 8.208 0.052 19637 5809 1 8 . 1 1 28 28 SER N N 28 116.175 116.175 116.926 -0.751 19637 5810 1 8 . 1 1 28 28 SER CA C 28 58.140 58.140 58.571 -0.431 19637 5811 1 8 . 1 1 28 28 SER CB C 28 62.846 62.846 63.197 -0.351 19637 5812 1 8 . 1 1 28 28 SER H H 28 8.330 8.330 8.203 0.127 19637 5813 1 8 . 1 1 29 29 LEU N N 29 122.260 122.260 122.156 0.104 19637 5814 1 8 . 1 1 29 29 LEU C C 29 177.512 177.512 175.419 2.093 19637 5815 1 8 . 1 1 29 29 LEU CA C 29 54.416 54.416 54.818 -0.402 19637 5816 1 8 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.016 -2.694 19637 5817 1 8 . 1 1 29 29 LEU H H 29 8.157 8.157 8.087 0.070 19637 5818 1 8 . 1 1 30 30 GLY N N 30 107.575 107.575 106.700 0.875 19637 5819 1 8 . 1 1 30 30 GLY C C 30 174.225 174.225 174.606 -0.381 19637 5820 1 8 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.505 0.023 19637 5821 1 8 . 1 1 30 30 GLY H H 30 8.144 8.144 8.810 -0.666 19637 5822 1 8 . 1 1 31 31 GLY N N 31 107.996 107.996 107.248 0.748 19637 5823 1 8 . 1 1 31 31 GLY C C 31 173.664 173.664 172.602 1.062 19637 5824 1 8 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.628 -0.410 19637 5825 1 8 . 1 1 31 31 GLY H H 31 8.044 8.044 7.839 0.205 19637 5826 1 8 . 1 1 32 32 PHE N N 32 119.248 119.248 122.091 -2.843 19637 5827 1 8 . 1 1 32 32 PHE C C 32 175.495 175.495 173.581 1.914 19637 5828 1 8 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.631 -1.258 19637 5829 1 8 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.948 -2.690 19637 5830 1 8 . 1 1 32 32 PHE H H 32 8.181 8.181 8.213 -0.032 19637 5831 1 8 . 1 1 33 33 SER N N 33 117.720 117.720 119.357 -1.637 19637 5832 1 8 . 1 1 33 33 SER C C 33 173.368 173.368 172.146 1.222 19637 5833 1 8 . 1 1 33 33 SER CA C 33 55.746 55.746 57.794 -2.047 19637 5834 1 8 . 1 1 33 33 SER CB C 33 64.265 64.265 65.842 -1.577 19637 5835 1 8 . 1 1 33 33 SER H H 33 8.771 8.771 8.148 0.623 19637 5836 1 8 . 1 1 34 34 VAL N N 34 123.007 123.007 121.013 1.994 19637 5837 1 8 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.657 -1.231 19637 5838 1 8 . 1 1 34 34 VAL CB C 34 32.785 32.785 35.090 -2.305 19637 5839 1 8 . 1 1 34 34 VAL H H 34 8.525 8.525 8.472 0.053 19637 5840 1 8 . 1 1 35 35 THR N N 35 115.459 115.459 118.353 -2.894 19637 5841 1 8 . 1 1 35 35 THR CA C 35 61.200 61.200 61.727 -0.527 19637 5842 1 8 . 1 1 35 35 THR CB C 35 69.851 69.851 67.970 1.881 19637 5843 1 8 . 1 1 35 35 THR H H 35 8.147 8.147 8.461 -0.314 19637 5844 1 8 . 1 1 36 36 ASN N N 36 118.274 118.274 119.110 -0.836 19637 5845 1 8 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.958 -1.551 19637 5846 1 8 . 1 1 36 36 ASN CB C 36 38.105 38.105 40.910 -2.805 19637 5847 1 8 . 1 1 36 36 ASN H H 36 8.719 8.719 8.030 0.689 19637 5848 1 8 . 1 1 37 37 ASN N N 37 115.657 115.657 115.773 -0.116 19637 5849 1 8 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.061 1.804 19637 5850 1 8 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.316 2.996 19637 5851 1 8 . 1 1 37 37 ASN H H 37 8.432 8.432 8.477 -0.045 19637 5852 1 8 . 1 1 38 38 THR N N 38 122.444 122.444 111.869 10.575 19637 5853 1 8 . 1 1 38 38 THR CA C 38 61.288 61.288 61.891 -0.603 19637 5854 1 8 . 1 1 38 38 THR CB C 38 69.142 69.142 68.049 1.093 19637 5855 1 8 . 1 1 38 38 THR H H 38 8.095 8.095 8.527 -0.432 19637 5856 1 8 . 1 1 40 40 LEU N N 40 120.457 120.457 112.423 8.034 19637 5857 1 8 . 1 1 40 40 LEU CA C 40 54.327 54.327 53.485 0.842 19637 5858 1 8 . 1 1 40 40 LEU CB C 40 41.218 41.218 45.157 -3.939 19637 5859 1 8 . 1 1 40 40 LEU H H 40 6.902 6.902 7.996 -1.094 19637 5860 1 8 . 1 1 41 41 GLY N N 41 111.223 111.223 106.171 5.052 19637 5861 1 8 . 1 1 41 41 GLY C C 41 171.034 171.034 172.519 -1.485 19637 5862 1 8 . 1 1 41 41 GLY CA C 41 42.843 42.843 45.551 -2.708 19637 5863 1 8 . 1 1 41 41 GLY H H 41 8.978 8.978 8.148 0.830 19637 5864 1 8 . 1 1 42 42 LEU N N 42 122.123 122.123 120.379 1.744 19637 5865 1 8 . 1 1 42 42 LEU C C 42 175.350 175.350 174.968 0.382 19637 5866 1 8 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.614 -2.459 19637 5867 1 8 . 1 1 42 42 LEU CB C 42 45.377 45.377 47.174 -1.797 19637 5868 1 8 . 1 1 42 42 LEU H H 42 8.679 8.679 8.730 -0.051 19637 5869 1 8 . 1 1 43 43 THR N N 43 109.917 109.917 117.107 -7.190 19637 5870 1 8 . 1 1 43 43 THR C C 43 173.516 173.516 173.532 -0.016 19637 5871 1 8 . 1 1 43 43 THR CA C 43 58.057 58.057 61.147 -3.090 19637 5872 1 8 . 1 1 43 43 THR CB C 43 70.029 70.029 71.228 -1.198 19637 5873 1 8 . 1 1 43 43 THR H H 43 8.792 8.792 8.872 -0.080 19637 5874 1 8 . 1 1 44 44 PHE N N 44 118.699 118.699 125.046 -6.347 19637 5875 1 8 . 1 1 44 44 PHE C C 44 173.917 173.917 174.447 -0.530 19637 5876 1 8 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.573 -1.093 19637 5877 1 8 . 1 1 44 44 PHE CB C 44 40.765 40.765 43.376 -2.611 19637 5878 1 8 . 1 1 44 44 PHE H H 44 8.566 8.566 9.266 -0.700 19637 5879 1 8 . 1 1 45 45 THR N N 45 118.229 118.229 117.545 0.684 19637 5880 1 8 . 1 1 45 45 THR C C 45 170.886 170.886 172.598 -1.712 19637 5881 1 8 . 1 1 45 45 THR CA C 45 60.097 60.097 61.459 -1.363 19637 5882 1 8 . 1 1 45 45 THR CB C 45 68.433 68.433 70.970 -2.537 19637 5883 1 8 . 1 1 45 45 THR H H 45 7.903 7.903 8.774 -0.871 19637 5884 1 8 . 1 1 46 46 TYR N N 46 124.450 124.450 120.959 3.491 19637 5885 1 8 . 1 1 46 46 TYR C C 46 174.254 174.254 173.236 1.018 19637 5886 1 8 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.563 -1.413 19637 5887 1 8 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.982 1.291 19637 5888 1 8 . 1 1 46 46 TYR H H 46 8.941 8.941 8.688 0.253 19637 5889 1 8 . 1 1 47 47 MET N N 47 123.598 123.598 121.991 1.607 19637 5890 1 8 . 1 1 47 47 MET C C 47 175.082 175.082 176.414 -1.332 19637 5891 1 8 . 1 1 47 47 MET CA C 47 50.425 50.425 54.788 -4.363 19637 5892 1 8 . 1 1 47 47 MET CB C 47 26.222 26.222 35.208 -8.986 19637 5893 1 8 . 1 1 47 47 MET H H 47 7.798 7.798 8.892 -1.094 19637 5894 1 8 . 1 1 48 48 ALA N N 48 129.975 129.975 128.054 1.921 19637 5895 1 8 . 1 1 48 48 ALA C C 48 178.568 178.568 177.284 1.284 19637 5896 1 8 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.172 -0.867 19637 5897 1 8 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.819 -2.107 19637 5898 1 8 . 1 1 48 48 ALA H H 48 8.717 8.717 8.886 -0.169 19637 5899 1 8 . 1 1 49 49 THR N N 49 106.011 106.011 111.138 -5.127 19637 5900 1 8 . 1 1 49 49 THR C C 49 171.950 171.950 172.643 -0.693 19637 5901 1 8 . 1 1 49 49 THR CA C 49 57.786 57.786 62.622 -4.836 19637 5902 1 8 . 1 1 49 49 THR CB C 49 70.535 70.535 68.550 1.985 19637 5903 1 8 . 1 1 49 49 THR H H 49 8.072 8.072 8.256 -0.184 19637 5904 1 8 . 1 1 50 50 ASP N N 50 114.062 114.062 124.077 -10.015 19637 5905 1 8 . 1 1 50 50 ASP C C 50 175.318 175.318 175.368 -0.050 19637 5906 1 8 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.450 0.326 19637 5907 1 8 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.942 -1.152 19637 5908 1 8 . 1 1 50 50 ASP H H 50 8.390 8.390 8.680 -0.290 19637 5909 1 8 . 1 1 51 51 ASN N N 51 111.850 111.850 115.906 -4.056 19637 5910 1 8 . 1 1 51 51 ASN C C 51 171.684 171.684 173.281 -1.597 19637 5911 1 8 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.513 -0.097 19637 5912 1 8 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.038 2.195 19637 5913 1 8 . 1 1 51 51 ASN H H 51 7.887 7.887 8.525 -0.638 19637 5914 1 8 . 1 1 52 52 ILE N N 52 118.929 118.929 115.910 3.019 19637 5915 1 8 . 1 1 52 52 ILE C C 52 175.495 175.495 173.672 1.823 19637 5916 1 8 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.110 0.538 19637 5917 1 8 . 1 1 52 52 ILE CB C 52 37.484 37.484 41.239 -3.755 19637 5918 1 8 . 1 1 52 52 ILE H H 52 7.707 7.707 7.574 0.133 19637 5919 1 8 . 1 1 53 53 GLY N N 53 114.998 114.998 113.862 1.136 19637 5920 1 8 . 1 1 53 53 GLY C C 53 171.536 171.536 171.628 -0.092 19637 5921 1 8 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.716 -1.784 19637 5922 1 8 . 1 1 53 53 GLY H H 53 8.678 8.678 8.675 0.003 19637 5923 1 8 . 1 1 54 54 VAL N N 54 118.327 118.327 118.654 -0.327 19637 5924 1 8 . 1 1 54 54 VAL C C 54 173.309 173.309 173.839 -0.530 19637 5925 1 8 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.297 -0.650 19637 5926 1 8 . 1 1 54 54 VAL CB C 54 32.873 32.873 35.336 -2.463 19637 5927 1 8 . 1 1 54 54 VAL H H 54 8.734 8.734 8.285 0.449 19637 5928 1 8 . 1 1 55 55 GLU N N 55 126.907 126.907 124.358 2.549 19637 5929 1 8 . 1 1 55 55 GLU C C 55 173.575 173.575 174.380 -0.805 19637 5930 1 8 . 1 1 55 55 GLU CA C 55 53.269 53.269 53.862 -0.593 19637 5931 1 8 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.580 1.147 19637 5932 1 8 . 1 1 55 55 GLU H H 55 9.084 9.084 9.281 -0.197 19637 5933 1 8 . 1 1 56 56 LEU N N 56 126.739 126.739 123.122 3.617 19637 5934 1 8 . 1 1 56 56 LEU C C 56 174.786 174.786 175.151 -0.365 19637 5935 1 8 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.098 -2.165 19637 5936 1 8 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.921 -0.899 19637 5937 1 8 . 1 1 56 56 LEU H H 56 9.168 9.168 9.048 0.120 19637 5938 1 8 . 1 1 57 57 LEU N N 57 127.189 127.189 125.803 1.386 19637 5939 1 8 . 1 1 57 57 LEU C C 57 174.579 174.579 174.448 0.131 19637 5940 1 8 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.642 -0.551 19637 5941 1 8 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.803 -2.643 19637 5942 1 8 . 1 1 57 57 LEU H H 57 9.174 9.174 8.803 0.371 19637 5943 1 8 . 1 1 58 58 ALA N N 58 125.061 125.061 126.857 -1.796 19637 5944 1 8 . 1 1 58 58 ALA C C 58 172.925 172.925 175.312 -2.387 19637 5945 1 8 . 1 1 58 58 ALA CA C 58 48.924 48.924 51.056 -2.132 19637 5946 1 8 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.632 -1.553 19637 5947 1 8 . 1 1 58 58 ALA H H 58 9.435 9.435 8.641 0.794 19637 5948 1 8 . 1 1 59 59 ALA N N 59 116.911 116.911 124.995 -8.084 19637 5949 1 8 . 1 1 59 59 ALA C C 59 176.248 176.248 176.464 -0.216 19637 5950 1 8 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.100 -1.029 19637 5951 1 8 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.194 -1.535 19637 5952 1 8 . 1 1 59 59 ALA H H 59 6.833 6.833 8.120 -1.287 19637 5953 1 8 . 1 1 60 60 THR N N 60 105.771 105.771 114.458 -8.687 19637 5954 1 8 . 1 1 60 60 THR C C 60 170.975 170.975 173.789 -2.814 19637 5955 1 8 . 1 1 60 60 THR CA C 60 59.515 59.515 61.414 -1.899 19637 5956 1 8 . 1 1 60 60 THR CB C 60 63.487 63.487 68.416 -4.929 19637 5957 1 8 . 1 1 60 60 THR H H 60 7.718 7.718 8.262 -0.544 19637 5958 1 8 . 1 1 62 62 PHE N N 62 122.473 122.473 114.688 7.785 19637 5959 1 8 . 1 1 62 62 PHE C C 62 174.934 174.934 175.075 -0.141 19637 5960 1 8 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.771 -1.050 19637 5961 1 8 . 1 1 62 62 PHE CB C 62 39.613 39.613 38.952 0.661 19637 5962 1 8 . 1 1 62 62 PHE H H 62 8.251 8.251 8.216 0.035 19637 5963 1 8 . 1 1 63 63 ARG N N 63 118.016 118.016 126.335 -8.319 19637 5964 1 8 . 1 1 63 63 ARG C C 63 174.423 174.423 174.020 0.403 19637 5965 1 8 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.856 -3.208 19637 5966 1 8 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.755 -1.857 19637 5967 1 8 . 1 1 63 63 ARG H H 63 7.378 7.378 8.183 -0.805 19637 5968 1 8 . 1 1 64 64 HIS N N 64 120.040 120.040 122.496 -2.456 19637 5969 1 8 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.194 -3.240 19637 5970 1 8 . 1 1 64 64 HIS H H 64 8.588 8.588 8.459 0.129 19637 5971 1 8 . 1 1 66 66 ILE N N 66 122.668 122.668 124.529 -1.861 19637 5972 1 8 . 1 1 66 66 ILE C C 66 175.141 175.141 175.943 -0.802 19637 5973 1 8 . 1 1 66 66 ILE CA C 66 57.963 57.963 61.658 -3.695 19637 5974 1 8 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.383 -0.745 19637 5975 1 8 . 1 1 66 66 ILE H H 66 8.726 8.726 8.428 0.298 19637 5976 1 8 . 1 1 67 67 GLY N N 67 114.948 114.948 114.123 0.825 19637 5977 1 8 . 1 1 67 67 GLY C C 67 172.570 172.570 173.118 -0.548 19637 5978 1 8 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.126 -0.997 19637 5979 1 8 . 1 1 67 67 GLY H H 67 8.780 8.780 8.603 0.177 19637 5980 1 8 . 1 1 68 68 THR N N 68 106.079 106.079 113.868 -7.789 19637 5981 1 8 . 1 1 68 68 THR C C 68 175.574 175.574 175.357 0.217 19637 5982 1 8 . 1 1 68 68 THR CA C 68 58.672 58.672 60.750 -2.078 19637 5983 1 8 . 1 1 68 68 THR CB C 68 71.270 71.270 70.838 0.432 19637 5984 1 8 . 1 1 68 68 THR H H 68 7.431 7.431 7.634 -0.203 19637 5985 1 8 . 1 1 69 69 ARG N N 69 122.303 122.303 125.879 -3.576 19637 5986 1 8 . 1 1 69 69 ARG C C 69 178.298 178.298 176.964 1.334 19637 5987 1 8 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.159 0.070 19637 5988 1 8 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.119 -1.946 19637 5989 1 8 . 1 1 69 69 ARG H H 69 8.783 8.783 8.788 -0.005 19637 5990 1 8 . 1 1 70 70 ALA N N 70 117.681 117.681 121.356 -3.675 19637 5991 1 8 . 1 1 70 70 ALA C C 70 179.281 179.281 178.672 0.609 19637 5992 1 8 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.604 -1.335 19637 5993 1 8 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.791 -0.816 19637 5994 1 8 . 1 1 70 70 ALA H H 70 8.262 8.262 7.655 0.607 19637 5995 1 8 . 1 1 71 71 THR N N 71 105.486 105.486 108.576 -3.090 19637 5996 1 8 . 1 1 71 71 THR C C 71 176.136 176.136 175.077 1.059 19637 5997 1 8 . 1 1 71 71 THR CA C 71 60.895 60.895 61.861 -0.966 19637 5998 1 8 . 1 1 71 71 THR CB C 71 70.383 70.383 70.728 -0.345 19637 5999 1 8 . 1 1 71 71 THR H H 71 7.473 7.473 7.773 -0.300 19637 6000 1 8 . 1 1 72 72 GLY N N 72 111.099 111.099 111.025 0.074 19637 6001 1 8 . 1 1 72 72 GLY C C 72 175.052 175.052 172.165 2.887 19637 6002 1 8 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.031 -0.985 19637 6003 1 8 . 1 1 72 72 GLY H H 72 8.194 8.194 8.399 -0.205 19637 6004 1 8 . 1 1 73 73 ASP N N 73 121.919 121.919 119.526 2.393 19637 6005 1 8 . 1 1 73 73 ASP C C 73 177.889 177.889 174.844 3.045 19637 6006 1 8 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.518 1.524 19637 6007 1 8 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.590 -3.066 19637 6008 1 8 . 1 1 73 73 ASP H H 73 8.668 8.668 7.954 0.714 19637 6009 1 8 . 1 1 74 74 ILE N N 74 117.113 117.113 119.126 -2.013 19637 6010 1 8 . 1 1 74 74 ILE C C 74 175.013 175.013 174.740 0.273 19637 6011 1 8 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.074 -2.159 19637 6012 1 8 . 1 1 74 74 ILE CB C 74 41.297 41.297 35.623 5.674 19637 6013 1 8 . 1 1 74 74 ILE H H 74 9.327 9.327 8.646 0.681 19637 6014 1 8 . 1 1 75 75 ALA N N 75 121.329 121.329 130.256 -8.927 19637 6015 1 8 . 1 1 75 75 ALA CA C 75 50.425 50.425 51.334 -0.909 19637 6016 1 8 . 1 1 75 75 ALA CB C 75 21.523 21.523 22.197 -0.674 19637 6017 1 8 . 1 1 75 75 ALA H H 75 8.086 8.086 8.064 0.022 19637 6018 1 8 . 1 1 76 76 THR N N 76 116.168 116.168 115.682 0.486 19637 6019 1 8 . 1 1 76 76 THR C C 76 173.043 173.043 173.416 -0.373 19637 6020 1 8 . 1 1 76 76 THR CA C 76 60.540 60.540 61.763 -1.223 19637 6021 1 8 . 1 1 76 76 THR CB C 76 69.674 69.674 69.375 0.299 19637 6022 1 8 . 1 1 76 76 THR H H 76 8.539 8.539 8.258 0.281 19637 6023 1 8 . 1 1 77 77 VAL N N 77 117.996 117.996 124.162 -6.166 19637 6024 1 8 . 1 1 77 77 VAL C C 77 174.964 174.964 173.756 1.208 19637 6025 1 8 . 1 1 77 77 VAL CA C 77 57.348 57.348 61.432 -4.084 19637 6026 1 8 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.728 -0.702 19637 6027 1 8 . 1 1 77 77 VAL H H 77 8.578 8.578 8.230 0.348 19637 6028 1 8 . 1 1 78 78 HIS N N 78 116.541 116.541 124.773 -8.232 19637 6029 1 8 . 1 1 78 78 HIS C C 78 173.634 173.634 172.838 0.796 19637 6030 1 8 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.694 -1.869 19637 6031 1 8 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.362 -2.415 19637 6032 1 8 . 1 1 78 78 HIS H H 78 7.822 7.822 8.290 -0.468 19637 6033 1 8 . 1 1 79 79 HIS N N 79 113.176 113.176 117.024 -3.848 19637 6034 1 8 . 1 1 79 79 HIS C C 79 173.841 173.841 172.256 1.585 19637 6035 1 8 . 1 1 79 79 HIS CA C 79 54.416 54.416 53.926 0.490 19637 6036 1 8 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.906 2.120 19637 6037 1 8 . 1 1 79 79 HIS H H 79 7.912 7.912 7.693 0.219 19637 6038 1 8 . 1 1 80 80 LEU N N 80 118.153 118.153 121.962 -3.809 19637 6039 1 8 . 1 1 80 80 LEU C C 80 177.821 177.821 176.418 1.403 19637 6040 1 8 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.778 -1.619 19637 6041 1 8 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.183 3.080 19637 6042 1 8 . 1 1 80 80 LEU H H 80 8.205 8.205 8.670 -0.465 19637 6043 1 8 . 1 1 83 83 THR N N 83 115.326 115.326 115.468 -0.142 19637 6044 1 8 . 1 1 83 83 THR C C 83 171.362 171.362 172.939 -1.577 19637 6045 1 8 . 1 1 83 83 THR CA C 83 60.540 60.540 59.792 0.748 19637 6046 1 8 . 1 1 83 83 THR CB C 83 72.068 72.068 72.202 -0.134 19637 6047 1 8 . 1 1 83 83 THR H H 83 7.688 7.688 8.658 -0.970 19637 6048 1 8 . 1 1 84 84 LEU N N 84 129.848 129.848 124.163 5.685 19637 6049 1 8 . 1 1 84 84 LEU C C 84 174.373 174.373 175.065 -0.692 19637 6050 1 8 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.536 -2.115 19637 6051 1 8 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.753 -0.997 19637 6052 1 8 . 1 1 84 84 LEU H H 84 9.013 9.013 8.768 0.245 19637 6053 1 8 . 1 1 85 85 MET N N 85 121.374 121.374 121.764 -0.390 19637 6054 1 8 . 1 1 85 85 MET C C 85 175.407 175.407 174.148 1.259 19637 6055 1 8 . 1 1 85 85 MET CA C 85 52.421 52.421 54.370 -1.949 19637 6056 1 8 . 1 1 85 85 MET CB C 85 34.558 34.558 36.829 -2.271 19637 6057 1 8 . 1 1 85 85 MET H H 85 9.823 9.823 9.044 0.779 19637 6058 1 8 . 1 1 86 86 ALA N N 86 123.689 123.689 125.868 -2.179 19637 6059 1 8 . 1 1 86 86 ALA C C 86 176.205 176.205 175.748 0.457 19637 6060 1 8 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.630 -0.825 19637 6061 1 8 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.687 -1.736 19637 6062 1 8 . 1 1 86 86 ALA H H 86 9.080 9.080 8.864 0.216 19637 6063 1 8 . 1 1 87 87 GLN N N 87 116.548 116.548 124.758 -8.210 19637 6064 1 8 . 1 1 87 87 GLN C C 87 175.495 175.495 174.386 1.109 19637 6065 1 8 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.642 -1.284 19637 6066 1 8 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.085 2.207 19637 6067 1 8 . 1 1 87 87 GLN H H 87 9.061 9.061 8.805 0.256 19637 6068 1 8 . 1 1 88 88 TRP N N 88 119.609 119.609 128.491 -8.882 19637 6069 1 8 . 1 1 88 88 TRP C C 88 174.727 174.727 173.340 1.387 19637 6070 1 8 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.982 -1.028 19637 6071 1 8 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.599 -3.120 19637 6072 1 8 . 1 1 88 88 TRP H H 88 8.893 8.893 7.728 1.165 19637 6073 1 8 . 1 1 89 89 TYR N N 89 124.849 124.849 120.833 4.016 19637 6074 1 8 . 1 1 89 89 TYR C C 89 176.382 176.382 172.715 3.667 19637 6075 1 8 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.275 -0.233 19637 6076 1 8 . 1 1 89 89 TYR H H 89 8.815 8.815 7.195 1.620 19637 6077 1 8 . 1 1 90 90 PHE N N 90 122.137 122.137 125.929 -3.792 19637 6078 1 8 . 1 1 90 90 PHE C C 90 176.304 176.304 175.505 0.799 19637 6079 1 8 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.542 0.279 19637 6080 1 8 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.344 -1.884 19637 6081 1 8 . 1 1 90 90 PHE H H 90 9.171 9.171 8.470 0.701 19637 6082 1 8 . 1 1 91 91 GLY N N 91 108.961 108.961 113.586 -4.625 19637 6083 1 8 . 1 1 91 91 GLY C C 91 172.748 172.748 172.934 -0.186 19637 6084 1 8 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.395 -1.063 19637 6085 1 8 . 1 1 91 91 GLY H H 91 9.342 9.342 8.179 1.163 19637 6086 1 8 . 1 1 92 92 ASP N N 92 119.869 119.869 122.158 -2.289 19637 6087 1 8 . 1 1 92 92 ASP C C 92 175.968 175.968 175.270 0.698 19637 6088 1 8 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.536 -2.914 19637 6089 1 8 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.332 -0.769 19637 6090 1 8 . 1 1 92 92 ASP H H 92 8.612 8.612 8.350 0.262 19637 6091 1 8 . 1 1 93 93 ALA N N 93 117.665 117.665 122.735 -5.070 19637 6092 1 8 . 1 1 93 93 ALA C C 93 178.748 178.748 175.426 3.322 19637 6093 1 8 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.353 0.827 19637 6094 1 8 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.564 -3.653 19637 6095 1 8 . 1 1 93 93 ALA H H 93 8.673 8.673 8.276 0.397 19637 6096 1 8 . 1 1 94 94 SER N N 94 115.062 115.062 117.740 -2.678 19637 6097 1 8 . 1 1 94 94 SER C C 94 175.348 175.348 174.394 0.954 19637 6098 1 8 . 1 1 94 94 SER CA C 94 58.185 58.185 57.770 0.415 19637 6099 1 8 . 1 1 94 94 SER CB C 94 62.757 62.757 62.620 0.137 19637 6100 1 8 . 1 1 94 94 SER H H 94 8.902 8.902 8.476 0.426 19637 6101 1 8 . 1 1 95 95 SER N N 95 120.754 120.754 123.015 -2.261 19637 6102 1 8 . 1 1 95 95 SER CA C 95 58.451 58.451 57.663 0.788 19637 6103 1 8 . 1 1 95 95 SER CB C 95 62.580 62.580 63.017 -0.438 19637 6104 1 8 . 1 1 95 95 SER H H 95 7.922 7.922 7.545 0.377 19637 6105 1 8 . 1 1 96 96 LYS N N 96 120.924 120.924 119.245 1.679 19637 6106 1 8 . 1 1 96 96 LYS CA C 96 54.599 54.599 55.359 -0.760 19637 6107 1 8 . 1 1 96 96 LYS CB C 96 31.366 31.366 31.640 -0.275 19637 6108 1 8 . 1 1 96 96 LYS H H 96 8.555 8.555 8.113 0.442 19637 6109 1 8 . 1 1 97 97 PHE N N 97 117.773 117.773 113.760 4.013 19637 6110 1 8 . 1 1 97 97 PHE CA C 97 54.688 54.688 54.837 -0.148 19637 6111 1 8 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.432 -0.110 19637 6112 1 8 . 1 1 97 97 PHE H H 97 7.596 7.596 6.612 0.984 19637 6113 1 8 . 1 1 98 98 ARG N N 98 120.982 120.982 122.422 -1.440 19637 6114 1 8 . 1 1 98 98 ARG C C 98 173.047 173.047 175.050 -2.003 19637 6115 1 8 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.590 -1.119 19637 6116 1 8 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.394 1.238 19637 6117 1 8 . 1 1 98 98 ARG H H 98 8.823 8.823 8.437 0.386 19637 6118 1 8 . 1 1 100 100 TYR N N 100 117.775 117.775 118.140 -0.365 19637 6119 1 8 . 1 1 100 100 TYR C C 100 173.047 173.047 174.980 -1.933 19637 6120 1 8 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.131 -1.177 19637 6121 1 8 . 1 1 100 100 TYR CB C 100 39.524 39.524 37.278 2.246 19637 6122 1 8 . 1 1 100 100 TYR H H 100 8.885 8.885 8.019 0.866 19637 6123 1 8 . 1 1 101 101 VAL N N 101 111.744 111.744 122.589 -10.845 19637 6124 1 8 . 1 1 101 101 VAL C C 101 173.457 173.457 175.265 -1.808 19637 6125 1 8 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.828 -3.723 19637 6126 1 8 . 1 1 101 101 VAL CB C 101 34.381 34.381 29.513 4.868 19637 6127 1 8 . 1 1 101 101 VAL H H 101 8.365 8.365 7.386 0.979 19637 6128 1 8 . 1 1 102 102 GLY N N 102 108.300 108.300 113.194 -4.894 19637 6129 1 8 . 1 1 102 102 GLY C C 102 171.241 171.241 171.884 -0.643 19637 6130 1 8 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.125 0.847 19637 6131 1 8 . 1 1 102 102 GLY H H 102 8.271 8.271 8.505 -0.234 19637 6132 1 8 . 1 1 103 103 ALA N N 103 120.836 120.836 121.231 -0.395 19637 6133 1 8 . 1 1 103 103 ALA C C 103 175.614 175.614 175.861 -0.247 19637 6134 1 8 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.592 -0.759 19637 6135 1 8 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.050 -0.332 19637 6136 1 8 . 1 1 103 103 ALA H H 103 9.048 9.048 8.513 0.535 19637 6137 1 8 . 1 1 104 104 GLY N N 104 107.477 107.477 110.963 -3.486 19637 6138 1 8 . 1 1 104 104 GLY C C 104 171.832 171.832 172.732 -0.900 19637 6139 1 8 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.865 2.614 19637 6140 1 8 . 1 1 104 104 GLY H H 104 8.661 8.661 8.451 0.210 19637 6141 1 8 . 1 1 105 105 ILE N N 105 118.575 118.575 125.458 -6.883 19637 6142 1 8 . 1 1 105 105 ILE C C 105 172.275 172.275 173.839 -1.564 19637 6143 1 8 . 1 1 105 105 ILE CA C 105 57.348 57.348 59.328 -1.980 19637 6144 1 8 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.109 0.543 19637 6145 1 8 . 1 1 105 105 ILE H H 105 9.020 9.020 9.130 -0.110 19637 6146 1 8 . 1 1 106 106 ASN N N 106 123.879 123.879 128.956 -5.077 19637 6147 1 8 . 1 1 106 106 ASN C C 106 171.418 171.418 174.052 -2.634 19637 6148 1 8 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.807 -0.223 19637 6149 1 8 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.677 1.177 19637 6150 1 8 . 1 1 106 106 ASN H H 106 9.659 9.659 8.355 1.304 19637 6151 1 8 . 1 1 107 107 TYR N N 107 125.744 125.744 124.228 1.516 19637 6152 1 8 . 1 1 107 107 TYR C C 107 173.073 173.073 175.220 -2.147 19637 6153 1 8 . 1 1 107 107 TYR CA C 107 54.504 54.504 55.749 -1.245 19637 6154 1 8 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.170 1.684 19637 6155 1 8 . 1 1 107 107 TYR H H 107 8.273 8.273 8.174 0.099 19637 6156 1 8 . 1 1 108 108 THR N N 108 119.337 119.337 123.403 -4.066 19637 6157 1 8 . 1 1 108 108 THR C C 108 172.457 172.457 173.584 -1.127 19637 6158 1 8 . 1 1 108 108 THR CA C 108 60.452 60.452 61.779 -1.327 19637 6159 1 8 . 1 1 108 108 THR CB C 108 69.319 69.319 71.238 -1.919 19637 6160 1 8 . 1 1 108 108 THR H H 108 8.446 8.446 9.449 -1.003 19637 6161 1 8 . 1 1 109 109 THR N N 109 118.655 118.655 119.486 -0.831 19637 6162 1 8 . 1 1 109 109 THR C C 109 171.625 171.625 174.003 -2.378 19637 6163 1 8 . 1 1 109 109 THR CA C 109 56.810 56.810 61.491 -4.681 19637 6164 1 8 . 1 1 109 109 THR H H 109 7.548 7.548 8.566 -1.018 19637 6165 1 8 . 1 1 112 112 ASP N N 112 116.796 116.796 116.705 0.091 19637 6166 1 8 . 1 1 112 112 ASP C C 112 175.490 175.490 174.023 1.467 19637 6167 1 8 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.437 0.447 19637 6168 1 8 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.971 -5.309 19637 6169 1 8 . 1 1 112 112 ASP H H 112 8.995 8.995 8.279 0.716 19637 6170 1 8 . 1 1 113 113 ASN N N 113 117.801 117.801 118.744 -0.943 19637 6171 1 8 . 1 1 113 113 ASN C C 113 175.702 175.702 175.580 0.122 19637 6172 1 8 . 1 1 113 113 ASN CA C 113 50.736 50.736 51.077 -0.341 19637 6173 1 8 . 1 1 113 113 ASN CB C 113 39.348 39.348 41.139 -1.791 19637 6174 1 8 . 1 1 113 113 ASN H H 113 8.410 8.410 7.751 0.659 19637 6175 1 8 . 1 1 114 114 GLY N N 114 107.744 107.744 107.241 0.503 19637 6176 1 8 . 1 1 114 114 GLY C C 114 171.979 171.979 174.839 -2.860 19637 6177 1 8 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.818 -1.024 19637 6178 1 8 . 1 1 114 114 GLY H H 114 8.557 8.557 7.836 0.721 19637 6179 1 8 . 1 1 115 115 PHE N N 115 119.554 119.554 122.708 -3.154 19637 6180 1 8 . 1 1 115 115 PHE C C 115 176.192 176.192 174.357 1.835 19637 6181 1 8 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.532 -1.042 19637 6182 1 8 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.804 0.277 19637 6183 1 8 . 1 1 115 115 PHE H H 115 8.607 8.607 8.007 0.600 19637 6184 1 8 . 1 1 116 116 ASN N N 116 120.356 120.356 120.999 -0.643 19637 6185 1 8 . 1 1 116 116 ASN C C 116 175.407 175.407 175.555 -0.148 19637 6186 1 8 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.630 -2.559 19637 6187 1 8 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.169 -4.128 19637 6188 1 8 . 1 1 116 116 ASN H H 116 8.240 8.240 8.318 -0.078 19637 6189 1 8 . 1 1 117 117 ASP N N 117 117.610 117.610 120.545 -2.935 19637 6190 1 8 . 1 1 117 117 ASP C C 117 178.298 178.298 177.997 0.301 19637 6191 1 8 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.169 -0.821 19637 6192 1 8 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.629 -2.080 19637 6193 1 8 . 1 1 117 117 ASP H H 117 8.460 8.460 8.854 -0.394 19637 6194 1 8 . 1 1 118 118 HIS N N 118 118.493 118.493 118.524 -0.031 19637 6195 1 8 . 1 1 118 118 HIS C C 118 177.821 177.821 177.617 0.204 19637 6196 1 8 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.802 -2.036 19637 6197 1 8 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.836 -3.109 19637 6198 1 8 . 1 1 118 118 HIS H H 118 8.185 8.185 8.440 -0.255 19637 6199 1 8 . 1 1 119 119 GLY N N 119 107.937 107.937 107.279 0.658 19637 6200 1 8 . 1 1 119 119 GLY C C 119 175.082 175.082 176.380 -1.298 19637 6201 1 8 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.976 -0.364 19637 6202 1 8 . 1 1 119 119 GLY H H 119 8.788 8.788 8.652 0.136 19637 6203 1 8 . 1 1 120 120 LYS N N 120 122.898 122.898 122.946 -0.048 19637 6204 1 8 . 1 1 120 120 LYS C C 120 181.612 181.612 179.471 2.141 19637 6205 1 8 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.297 -0.580 19637 6206 1 8 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.425 -1.770 19637 6207 1 8 . 1 1 120 120 LYS H H 120 8.890 8.890 8.505 0.385 19637 6208 1 8 . 1 1 121 121 GLU N N 121 120.995 120.995 118.847 2.148 19637 6209 1 8 . 1 1 121 121 GLU C C 121 177.327 177.327 176.764 0.563 19637 6210 1 8 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.420 -0.767 19637 6211 1 8 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.537 -1.807 19637 6212 1 8 . 1 1 121 121 GLU H H 121 8.234 8.234 7.843 0.391 19637 6213 1 8 . 1 1 122 122 ALA N N 122 119.811 119.811 119.542 0.269 19637 6214 1 8 . 1 1 122 122 ALA C C 122 176.500 176.500 177.287 -0.787 19637 6215 1 8 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.368 -0.326 19637 6216 1 8 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.860 -3.150 19637 6217 1 8 . 1 1 122 122 ALA H H 122 7.259 7.259 7.353 -0.094 19637 6218 1 8 . 1 1 123 123 GLY N N 123 103.863 103.863 107.469 -3.606 19637 6219 1 8 . 1 1 123 123 GLY C C 123 175.082 175.082 173.574 1.508 19637 6220 1 8 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.376 -1.112 19637 6221 1 8 . 1 1 123 123 GLY H H 123 7.745 7.745 7.726 0.019 19637 6222 1 8 . 1 1 124 124 LEU N N 124 123.722 123.722 121.725 1.997 19637 6223 1 8 . 1 1 124 124 LEU C C 124 176.293 176.293 176.099 0.194 19637 6224 1 8 . 1 1 124 124 LEU CA C 124 53.269 53.269 52.330 0.939 19637 6225 1 8 . 1 1 124 124 LEU CB C 124 38.016 38.016 43.016 -5.000 19637 6226 1 8 . 1 1 124 124 LEU H H 124 7.461 7.461 8.065 -0.604 19637 6227 1 8 . 1 1 125 125 SER N N 125 114.112 114.112 116.928 -2.816 19637 6228 1 8 . 1 1 125 125 SER C C 125 173.250 173.250 173.580 -0.330 19637 6229 1 8 . 1 1 125 125 SER CA C 125 57.259 57.259 59.598 -2.339 19637 6230 1 8 . 1 1 125 125 SER CB C 125 65.684 65.684 63.035 2.649 19637 6231 1 8 . 1 1 125 125 SER H H 125 8.809 8.809 8.877 -0.068 19637 6232 1 8 . 1 1 126 126 ASP N N 126 117.817 117.817 121.548 -3.731 19637 6233 1 8 . 1 1 126 126 ASP C C 126 174.107 174.107 174.855 -0.748 19637 6234 1 8 . 1 1 126 126 ASP CA C 126 54.593 54.593 53.560 1.033 19637 6235 1 8 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.848 -2.122 19637 6236 1 8 . 1 1 126 126 ASP H H 126 9.035 9.035 8.716 0.319 19637 6237 1 8 . 1 1 127 127 LEU N N 127 120.160 120.160 119.014 1.146 19637 6238 1 8 . 1 1 127 127 LEU C C 127 176.726 176.726 175.420 1.306 19637 6239 1 8 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.526 -1.155 19637 6240 1 8 . 1 1 127 127 LEU CB C 127 40.322 40.322 43.311 -2.989 19637 6241 1 8 . 1 1 127 127 LEU H H 127 8.109 8.109 7.624 0.485 19637 6242 1 8 . 1 1 128 128 SER N N 128 120.909 120.909 112.755 8.154 19637 6243 1 8 . 1 1 128 128 SER C C 128 172.038 172.038 174.357 -2.319 19637 6244 1 8 . 1 1 128 128 SER CA C 128 57.120 57.120 59.198 -2.078 19637 6245 1 8 . 1 1 128 128 SER CB C 128 64.353 64.353 63.346 1.008 19637 6246 1 8 . 1 1 128 128 SER H H 128 9.499 9.499 7.866 1.633 19637 6247 1 8 . 1 1 129 129 LEU N N 129 122.260 122.260 124.174 -1.914 19637 6248 1 8 . 1 1 129 129 LEU C C 129 176.411 176.411 176.299 0.112 19637 6249 1 8 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.978 -2.139 19637 6250 1 8 . 1 1 129 129 LEU CB C 129 42.539 42.539 42.636 -0.097 19637 6251 1 8 . 1 1 129 129 LEU H H 129 8.182 8.182 8.545 -0.363 19637 6252 1 8 . 1 1 130 130 LYS N N 130 122.490 122.490 126.732 -4.242 19637 6253 1 8 . 1 1 130 130 LYS C C 130 176.754 176.754 175.375 1.379 19637 6254 1 8 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.290 0.752 19637 6255 1 8 . 1 1 130 130 LYS CB C 130 32.518 32.518 35.039 -2.521 19637 6256 1 8 . 1 1 130 130 LYS H H 130 7.536 7.536 8.670 -1.134 19637 6257 1 8 . 1 1 131 131 ASP N N 131 123.217 123.217 119.718 3.499 19637 6258 1 8 . 1 1 131 131 ASP C C 131 175.998 175.998 175.690 0.308 19637 6259 1 8 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.087 -0.626 19637 6260 1 8 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.054 -0.821 19637 6261 1 8 . 1 1 131 131 ASP H H 131 8.782 8.782 8.320 0.462 19637 6262 1 8 . 1 1 132 132 SER N N 132 115.445 115.445 116.474 -1.029 19637 6263 1 8 . 1 1 132 132 SER C C 132 171.920 171.920 172.307 -0.387 19637 6264 1 8 . 1 1 132 132 SER CA C 132 55.790 55.790 58.229 -2.439 19637 6265 1 8 . 1 1 132 132 SER CB C 132 64.087 64.087 65.681 -1.594 19637 6266 1 8 . 1 1 132 132 SER H H 132 9.016 9.016 8.708 0.308 19637 6267 1 8 . 1 1 133 133 TRP N N 133 124.389 124.389 120.995 3.394 19637 6268 1 8 . 1 1 133 133 TRP C C 133 178.243 178.243 176.340 1.903 19637 6269 1 8 . 1 1 133 133 TRP CA C 133 55.309 55.309 55.150 0.159 19637 6270 1 8 . 1 1 133 133 TRP CB C 133 31.401 31.401 32.349 -0.948 19637 6271 1 8 . 1 1 133 133 TRP H H 133 7.896 7.896 8.088 -0.192 19637 6272 1 8 . 1 1 134 134 GLY N N 134 107.658 107.658 109.592 -1.934 19637 6273 1 8 . 1 1 134 134 GLY C C 134 171.123 171.123 172.715 -1.592 19637 6274 1 8 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.501 0.249 19637 6275 1 8 . 1 1 134 134 GLY H H 134 8.896 8.896 8.680 0.216 19637 6276 1 8 . 1 1 135 135 ALA N N 135 122.244 122.244 128.533 -6.289 19637 6277 1 8 . 1 1 135 135 ALA C C 135 174.875 174.875 176.106 -1.231 19637 6278 1 8 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.243 -0.102 19637 6279 1 8 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.303 -0.997 19637 6280 1 8 . 1 1 135 135 ALA H H 135 8.946 8.946 8.590 0.356 19637 6281 1 8 . 1 1 136 136 ALA N N 136 118.579 118.579 125.411 -6.832 19637 6282 1 8 . 1 1 136 136 ALA C C 136 175.434 175.434 175.777 -0.343 19637 6283 1 8 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.517 -2.023 19637 6284 1 8 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.635 1.572 19637 6285 1 8 . 1 1 136 136 ALA H H 136 8.111 8.111 8.235 -0.124 19637 6286 1 8 . 1 1 137 137 GLY N N 137 105.005 105.005 106.905 -1.900 19637 6287 1 8 . 1 1 137 137 GLY C C 137 171.300 171.300 173.545 -2.245 19637 6288 1 8 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.072 -1.890 19637 6289 1 8 . 1 1 137 137 GLY H H 137 8.933 8.933 8.433 0.500 19637 6290 1 8 . 1 1 138 138 GLN N N 138 115.695 115.695 124.496 -8.801 19637 6291 1 8 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.615 -1.353 19637 6292 1 8 . 1 1 138 138 GLN H H 138 8.559 8.559 8.729 -0.170 19637 6293 1 8 . 1 1 140 140 GLY N N 140 110.307 110.307 111.959 -1.652 19637 6294 1 8 . 1 1 140 140 GLY C C 140 171.329 171.329 172.770 -1.441 19637 6295 1 8 . 1 1 140 140 GLY CA C 140 44.617 44.617 45.012 -0.395 19637 6296 1 8 . 1 1 140 140 GLY H H 140 7.936 7.936 8.293 -0.357 19637 6297 1 8 . 1 1 141 141 VAL N N 141 112.233 112.233 126.091 -13.858 19637 6298 1 8 . 1 1 141 141 VAL C C 141 171.979 171.979 173.779 -1.800 19637 6299 1 8 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.531 0.383 19637 6300 1 8 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.386 -1.449 19637 6301 1 8 . 1 1 141 141 VAL H H 141 8.646 8.646 8.633 0.013 19637 6302 1 8 . 1 1 142 142 ASP N N 142 122.520 122.520 129.676 -7.156 19637 6303 1 8 . 1 1 142 142 ASP C C 142 175.259 175.259 174.502 0.757 19637 6304 1 8 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.083 -1.372 19637 6305 1 8 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.789 -1.009 19637 6306 1 8 . 1 1 142 142 ASP H H 142 7.402 7.402 8.312 -0.910 19637 6307 1 8 . 1 1 143 143 TYR N N 143 122.331 122.331 121.556 0.775 19637 6308 1 8 . 1 1 143 143 TYR C C 143 173.870 173.870 174.272 -0.402 19637 6309 1 8 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.858 -2.910 19637 6310 1 8 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.759 -0.994 19637 6311 1 8 . 1 1 143 143 TYR H H 143 9.396 9.396 8.968 0.428 19637 6312 1 8 . 1 1 144 144 LEU N N 144 130.341 130.341 122.501 7.840 19637 6313 1 8 . 1 1 144 144 LEU C C 144 174.786 174.786 176.115 -1.329 19637 6314 1 8 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.499 1.025 19637 6315 1 8 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.107 -1.430 19637 6316 1 8 . 1 1 144 144 LEU H H 144 8.313 8.313 8.870 -0.557 19637 6317 1 8 . 1 1 145 145 ILE N N 145 124.602 124.602 121.865 2.737 19637 6318 1 8 . 1 1 145 145 ILE C C 145 177.593 177.593 173.737 3.856 19637 6319 1 8 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.665 -1.568 19637 6320 1 8 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.757 -1.893 19637 6321 1 8 . 1 1 145 145 ILE H H 145 8.809 8.809 8.302 0.507 19637 6322 1 8 . 1 1 146 146 ASN N N 146 118.348 118.348 121.830 -3.482 19637 6323 1 8 . 1 1 146 146 ASN CA C 146 51.318 51.318 51.888 -0.570 19637 6324 1 8 . 1 1 146 146 ASN CB C 146 36.952 36.952 36.522 0.430 19637 6325 1 8 . 1 1 146 146 ASN H H 146 8.362 8.362 8.131 0.231 19637 6326 1 8 . 1 1 147 147 ARG N N 147 113.940 113.940 121.524 -7.584 19637 6327 1 8 . 1 1 147 147 ARG C C 147 176.470 176.470 176.025 0.445 19637 6328 1 8 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.052 -0.468 19637 6329 1 8 . 1 1 147 147 ARG CB C 147 28.705 28.705 28.750 -0.045 19637 6330 1 8 . 1 1 147 147 ARG H H 147 8.072 8.072 7.988 0.084 19637 6331 1 8 . 1 1 148 148 ASP N N 148 112.938 112.938 118.461 -5.523 19637 6332 1 8 . 1 1 148 148 ASP C C 148 174.373 174.373 175.192 -0.819 19637 6333 1 8 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.164 0.162 19637 6334 1 8 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.796 -0.168 19637 6335 1 8 . 1 1 148 148 ASP H H 148 7.668 7.668 8.117 -0.449 19637 6336 1 8 . 1 1 149 149 TRP N N 149 116.148 116.148 116.112 0.036 19637 6337 1 8 . 1 1 149 149 TRP C C 149 175.574 175.574 173.167 2.407 19637 6338 1 8 . 1 1 149 149 TRP CA C 149 55.486 55.486 54.715 0.771 19637 6339 1 8 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.710 1.010 19637 6340 1 8 . 1 1 149 149 TRP H H 149 7.788 7.788 7.371 0.417 19637 6341 1 8 . 1 1 150 150 LEU N N 150 118.106 118.106 116.527 1.579 19637 6342 1 8 . 1 1 150 150 LEU C C 150 175.141 175.141 175.690 -0.549 19637 6343 1 8 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.074 -0.919 19637 6344 1 8 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.284 0.117 19637 6345 1 8 . 1 1 150 150 LEU H H 150 9.306 9.306 8.609 0.697 19637 6346 1 8 . 1 1 151 151 VAL N N 151 115.211 115.211 118.707 -3.496 19637 6347 1 8 . 1 1 151 151 VAL C C 151 173.524 173.524 173.532 -0.008 19637 6348 1 8 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.287 -0.988 19637 6349 1 8 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.783 -0.935 19637 6350 1 8 . 1 1 151 151 VAL H H 151 9.293 9.293 8.973 0.320 19637 6351 1 8 . 1 1 152 152 ASN N N 152 124.526 124.526 127.858 -3.332 19637 6352 1 8 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.966 -1.211 19637 6353 1 8 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.242 1.387 19637 6354 1 8 . 1 1 152 152 ASN H H 152 8.893 8.893 8.896 -0.003 19637 6355 1 8 . 1 1 153 153 MET N N 153 118.533 118.533 123.665 -5.132 19637 6356 1 8 . 1 1 153 153 MET C C 153 173.987 173.987 174.050 -0.063 19637 6357 1 8 . 1 1 153 153 MET CA C 153 54.017 54.017 54.882 -0.865 19637 6358 1 8 . 1 1 153 153 MET CB C 153 36.243 36.243 36.695 -0.452 19637 6359 1 8 . 1 1 153 153 MET H H 153 8.003 8.003 9.312 -1.309 19637 6360 1 8 . 1 1 154 154 SER N N 154 113.225 113.225 117.348 -4.123 19637 6361 1 8 . 1 1 154 154 SER C C 154 172.120 172.120 172.102 0.018 19637 6362 1 8 . 1 1 154 154 SER CA C 154 56.550 56.550 58.324 -1.774 19637 6363 1 8 . 1 1 154 154 SER CB C 154 64.619 64.619 65.423 -0.804 19637 6364 1 8 . 1 1 154 154 SER H H 154 9.191 9.191 9.252 -0.061 19637 6365 1 8 . 1 1 155 155 VAL N N 155 119.543 119.543 114.320 5.223 19637 6366 1 8 . 1 1 155 155 VAL C C 155 173.973 173.973 173.843 0.130 19637 6367 1 8 . 1 1 155 155 VAL CA C 155 59.382 59.382 62.139 -2.757 19637 6368 1 8 . 1 1 155 155 VAL H H 155 9.190 9.190 7.981 1.209 19637 6369 1 8 . 1 1 156 156 TRP N N 156 124.596 124.596 125.402 -0.806 19637 6370 1 8 . 1 1 156 156 TRP C C 156 175.237 175.237 174.809 0.428 19637 6371 1 8 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.399 -4.136 19637 6372 1 8 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.618 0.610 19637 6373 1 8 . 1 1 156 156 TRP H H 156 9.883 9.883 8.132 1.751 19637 6374 1 8 . 1 1 160 160 ILE N N 160 123.211 123.211 122.597 0.614 19637 6375 1 8 . 1 1 160 160 ILE C C 160 173.545 173.545 173.734 -0.189 19637 6376 1 8 . 1 1 160 160 ILE CA C 160 60.269 60.269 62.763 -2.494 19637 6377 1 8 . 1 1 160 160 ILE H H 160 7.948 7.948 8.044 -0.096 19637 6378 1 8 . 1 1 161 161 ASP N N 161 128.357 128.357 128.214 0.143 19637 6379 1 8 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.008 -0.587 19637 6380 1 8 . 1 1 161 161 ASP CB C 161 41.830 41.830 42.307 -0.477 19637 6381 1 8 . 1 1 161 161 ASP H H 161 8.302 8.302 8.629 -0.327 19637 6382 1 8 . 1 1 162 162 THR N N 162 117.472 117.472 116.544 0.928 19637 6383 1 8 . 1 1 162 162 THR CA C 162 57.259 57.259 60.598 -3.339 19637 6384 1 8 . 1 1 162 162 THR CB C 162 68.167 68.167 71.755 -3.588 19637 6385 1 8 . 1 1 162 162 THR H H 162 8.788 8.788 7.940 0.848 19637 6386 1 8 . 1 1 163 163 THR N N 163 120.189 120.189 115.072 5.117 19637 6387 1 8 . 1 1 163 163 THR CA C 163 60.629 60.629 61.580 -0.951 19637 6388 1 8 . 1 1 163 163 THR CB C 163 68.278 68.278 69.320 -1.042 19637 6389 1 8 . 1 1 163 163 THR H H 163 8.429 8.429 8.732 -0.303 19637 6390 1 8 . 1 1 164 164 ALA N N 164 127.991 127.991 127.434 0.557 19637 6391 1 8 . 1 1 164 164 ALA C C 164 174.993 174.993 176.478 -1.485 19637 6392 1 8 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.433 -1.243 19637 6393 1 8 . 1 1 164 164 ALA CB C 164 18.951 18.951 19.994 -1.043 19637 6394 1 8 . 1 1 164 164 ALA H H 164 9.428 9.428 8.556 0.872 19637 6395 1 8 . 1 1 165 165 ASN N N 165 122.214 122.214 127.244 -5.030 19637 6396 1 8 . 1 1 165 165 ASN C C 165 173.047 173.047 174.234 -1.187 19637 6397 1 8 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.757 -2.616 19637 6398 1 8 . 1 1 165 165 ASN CB C 165 40.056 40.056 39.026 1.030 19637 6399 1 8 . 1 1 165 165 ASN H H 165 9.216 9.216 8.261 0.955 19637 6400 1 8 . 1 1 166 166 TYR N N 166 116.330 116.330 122.837 -6.507 19637 6401 1 8 . 1 1 166 166 TYR C C 166 172.260 172.260 173.721 -1.461 19637 6402 1 8 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.418 -0.021 19637 6403 1 8 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.509 -2.847 19637 6404 1 8 . 1 1 166 166 TYR H H 166 7.816 7.816 9.157 -1.341 19637 6405 1 8 . 1 1 167 167 LYS N N 167 117.734 117.734 124.928 -7.194 19637 6406 1 8 . 1 1 167 167 LYS C C 167 174.760 174.760 174.995 -0.235 19637 6407 1 8 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.664 -0.913 19637 6408 1 8 . 1 1 167 167 LYS CB C 167 34.381 34.381 35.702 -1.321 19637 6409 1 8 . 1 1 167 167 LYS H H 167 9.100 9.100 8.889 0.211 19637 6410 1 8 . 1 1 168 168 LEU N N 168 121.623 121.623 128.356 -6.733 19637 6411 1 8 . 1 1 168 168 LEU C C 168 177.877 177.877 177.087 0.790 19637 6412 1 8 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.764 -1.255 19637 6413 1 8 . 1 1 168 168 LEU CB C 168 42.894 42.894 41.646 1.248 19637 6414 1 8 . 1 1 168 168 LEU H H 168 8.372 8.372 8.797 -0.425 19637 6415 1 8 . 1 1 169 169 GLY N N 169 119.264 119.264 114.472 4.792 19637 6416 1 8 . 1 1 169 169 GLY C C 169 175.602 175.602 174.824 0.778 19637 6417 1 8 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.995 1.262 19637 6418 1 8 . 1 1 169 169 GLY H H 169 9.603 9.603 8.632 0.971 19637 6419 1 8 . 1 1 170 170 GLY N N 170 104.659 104.659 106.705 -2.046 19637 6420 1 8 . 1 1 170 170 GLY C C 170 172.570 172.570 173.285 -0.715 19637 6421 1 8 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.128 -1.088 19637 6422 1 8 . 1 1 170 170 GLY H H 170 8.381 8.381 8.243 0.138 19637 6423 1 8 . 1 1 171 171 ALA N N 171 123.570 123.570 122.474 1.096 19637 6424 1 8 . 1 1 171 171 ALA C C 171 177.569 177.569 176.399 1.170 19637 6425 1 8 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.920 -1.028 19637 6426 1 8 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.975 -1.645 19637 6427 1 8 . 1 1 171 171 ALA H H 171 7.650 7.650 7.929 -0.279 19637 6428 1 8 . 1 1 172 172 GLN N N 172 124.057 124.057 123.939 0.118 19637 6429 1 8 . 1 1 172 172 GLN C C 172 174.869 174.869 175.245 -0.376 19637 6430 1 8 . 1 1 172 172 GLN CA C 172 56.018 56.018 56.099 -0.081 19637 6431 1 8 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.586 0.587 19637 6432 1 8 . 1 1 172 172 GLN H H 172 8.840 8.840 8.604 0.236 19637 6433 1 8 . 1 1 173 173 GLN N N 173 124.328 124.328 124.084 0.244 19637 6434 1 8 . 1 1 173 173 GLN C C 173 174.953 174.953 173.984 0.969 19637 6435 1 8 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.309 -2.154 19637 6436 1 8 . 1 1 173 173 GLN CB C 173 29.415 29.415 32.297 -2.882 19637 6437 1 8 . 1 1 173 173 GLN H H 173 9.023 9.023 7.833 1.190 19637 6438 1 8 . 1 1 174 174 HIS N N 174 115.629 115.629 121.141 -5.512 19637 6439 1 8 . 1 1 174 174 HIS C C 174 173.103 173.103 174.468 -1.365 19637 6440 1 8 . 1 1 174 174 HIS CA C 174 53.446 53.446 53.826 -0.380 19637 6441 1 8 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.806 -1.125 19637 6442 1 8 . 1 1 174 174 HIS H H 174 8.227 8.227 8.268 -0.041 19637 6443 1 8 . 1 1 175 175 ASP N N 175 120.615 120.615 123.770 -3.155 19637 6444 1 8 . 1 1 175 175 ASP C C 175 175.013 175.013 175.539 -0.526 19637 6445 1 8 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.410 -0.679 19637 6446 1 8 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.462 0.649 19637 6447 1 8 . 1 1 175 175 ASP H H 175 8.964 8.964 8.611 0.353 19637 6448 1 8 . 1 1 176 176 SER N N 176 118.175 118.175 119.588 -1.413 19637 6449 1 8 . 1 1 176 176 SER C C 176 173.496 173.496 174.722 -1.226 19637 6450 1 8 . 1 1 176 176 SER CA C 176 57.697 57.697 59.450 -1.753 19637 6451 1 8 . 1 1 176 176 SER CB C 176 62.757 62.757 63.902 -1.145 19637 6452 1 8 . 1 1 176 176 SER H H 176 9.137 9.137 8.774 0.363 19637 6453 1 8 . 1 1 177 177 VAL N N 177 123.737 123.737 128.647 -4.910 19637 6454 1 8 . 1 1 177 177 VAL C C 177 173.398 173.398 174.339 -0.941 19637 6455 1 8 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.822 -1.545 19637 6456 1 8 . 1 1 177 177 VAL CB C 177 32.518 32.518 31.338 1.180 19637 6457 1 8 . 1 1 177 177 VAL H H 177 8.492 8.492 8.590 -0.098 19637 6458 1 8 . 1 1 178 178 ARG N N 178 127.628 127.628 126.828 0.800 19637 6459 1 8 . 1 1 178 178 ARG C C 178 175.097 175.097 174.883 0.214 19637 6460 1 8 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.093 -1.076 19637 6461 1 8 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.021 -1.872 19637 6462 1 8 . 1 1 178 178 ARG H H 178 8.513 8.513 8.059 0.454 19637 6463 1 8 . 1 1 182 182 TRP N N 182 115.616 115.616 116.466 -0.850 19637 6464 1 8 . 1 1 182 182 TRP C C 182 176.613 176.613 176.149 0.464 19637 6465 1 8 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.376 -2.148 19637 6466 1 8 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.152 0.657 19637 6467 1 8 . 1 1 182 182 TRP H H 182 7.491 7.491 8.311 -0.820 19637 6468 1 8 . 1 1 183 183 VAL N N 183 121.618 121.618 117.198 4.420 19637 6469 1 8 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.864 -3.236 19637 6470 1 8 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.160 -2.463 19637 6471 1 8 . 1 1 183 183 VAL H H 183 9.372 9.372 8.521 0.851 19637 6472 1 8 . 1 1 185 185 MET N N 185 129.032 129.032 124.956 4.076 19637 6473 1 8 . 1 1 185 185 MET C C 185 172.186 172.186 174.328 -2.142 19637 6474 1 8 . 1 1 185 185 MET CA C 185 53.091 53.091 54.768 -1.677 19637 6475 1 8 . 1 1 185 185 MET CB C 185 33.405 33.405 34.684 -1.278 19637 6476 1 8 . 1 1 185 185 MET H H 185 9.615 9.615 8.832 0.783 19637 6477 1 8 . 1 1 186 186 PHE N N 186 124.085 124.085 122.066 2.019 19637 6478 1 8 . 1 1 186 186 PHE C C 186 174.816 174.816 173.999 0.817 19637 6479 1 8 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.810 -0.679 19637 6480 1 8 . 1 1 186 186 PHE CB C 186 40.588 40.588 40.882 -0.294 19637 6481 1 8 . 1 1 186 186 PHE H H 186 7.976 7.976 7.907 0.069 19637 6482 1 8 . 1 1 187 187 SER N N 187 116.369 116.369 118.759 -2.390 19637 6483 1 8 . 1 1 187 187 SER C C 187 171.305 171.305 172.866 -1.561 19637 6484 1 8 . 1 1 187 187 SER CA C 187 57.348 57.348 57.303 0.045 19637 6485 1 8 . 1 1 187 187 SER CB C 187 66.127 66.127 66.755 -0.628 19637 6486 1 8 . 1 1 187 187 SER H H 187 9.355 9.355 8.986 0.369 19637 6487 1 8 . 1 1 188 188 ALA N N 188 119.248 119.248 123.899 -4.651 19637 6488 1 8 . 1 1 188 188 ALA C C 188 175.996 175.996 176.582 -0.586 19637 6489 1 8 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.630 -1.545 19637 6490 1 8 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.876 0.203 19637 6491 1 8 . 1 1 188 188 ALA H H 188 8.300 8.300 8.589 -0.289 19637 6492 1 8 . 1 1 189 189 GLY N N 189 104.914 104.914 106.834 -1.920 19637 6493 1 8 . 1 1 189 189 GLY C C 189 170.650 170.650 172.757 -2.107 19637 6494 1 8 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.301 -1.255 19637 6495 1 8 . 1 1 189 189 GLY H H 189 9.235 9.235 8.266 0.969 19637 6496 1 8 . 1 1 190 190 TYR N N 190 121.149 121.149 126.261 -5.112 19637 6497 1 8 . 1 1 190 190 TYR C C 190 173.608 173.608 174.987 -1.379 19637 6498 1 8 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.789 -1.658 19637 6499 1 8 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.427 -0.065 19637 6500 1 8 . 1 1 190 190 TYR H H 190 8.865 8.865 8.899 -0.034 19637 6501 1 8 . 1 1 191 191 ARG N N 191 125.697 125.697 128.680 -2.983 19637 6502 1 8 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.757 -3.228 19637 6503 1 8 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.752 -0.805 19637 6504 1 8 . 1 1 191 191 ARG H H 191 7.469 7.469 8.942 -1.473 19637 6505 1 9 . 1 1 2 2 HIS N N 2 119.214 119.214 116.555 2.659 19637 6506 1 9 . 1 1 2 2 HIS C C 2 171.081 171.081 173.162 -2.081 19637 6507 1 9 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.894 -4.606 19637 6508 1 9 . 1 1 2 2 HIS CB C 2 23.296 23.296 28.497 -5.201 19637 6509 1 9 . 1 1 2 2 HIS H H 2 8.422 8.422 8.439 -0.017 19637 6510 1 9 . 1 1 3 3 GLU N N 3 113.500 113.500 116.768 -3.268 19637 6511 1 9 . 1 1 3 3 GLU C C 3 174.619 174.619 175.073 -0.454 19637 6512 1 9 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.805 -2.143 19637 6513 1 9 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.515 -2.100 19637 6514 1 9 . 1 1 3 3 GLU H H 3 6.642 6.642 7.835 -1.193 19637 6515 1 9 . 1 1 4 4 ALA N N 4 120.680 120.680 125.119 -4.439 19637 6516 1 9 . 1 1 4 4 ALA C C 4 178.439 178.439 177.591 0.848 19637 6517 1 9 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.627 -0.251 19637 6518 1 9 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.632 -0.189 19637 6519 1 9 . 1 1 4 4 ALA H H 4 8.701 8.701 8.542 0.159 19637 6520 1 9 . 1 1 5 5 GLY N N 5 112.786 112.786 110.772 2.014 19637 6521 1 9 . 1 1 5 5 GLY C C 5 173.309 173.309 173.901 -0.592 19637 6522 1 9 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.779 -2.226 19637 6523 1 9 . 1 1 5 5 GLY H H 5 9.294 9.294 8.433 0.861 19637 6524 1 9 . 1 1 6 6 GLU N N 6 121.755 121.755 120.716 1.039 19637 6525 1 9 . 1 1 6 6 GLU C C 6 173.693 173.693 174.239 -0.546 19637 6526 1 9 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.931 0.087 19637 6527 1 9 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.366 -0.178 19637 6528 1 9 . 1 1 6 6 GLU H H 6 7.955 7.955 7.736 0.219 19637 6529 1 9 . 1 1 7 7 PHE N N 7 124.802 124.802 120.651 4.151 19637 6530 1 9 . 1 1 7 7 PHE C C 7 174.039 174.039 172.727 1.312 19637 6531 1 9 . 1 1 7 7 PHE CA C 7 54.333 54.333 57.178 -2.845 19637 6532 1 9 . 1 1 7 7 PHE CB C 7 41.741 41.741 42.119 -0.378 19637 6533 1 9 . 1 1 7 7 PHE H H 7 8.648 8.648 7.722 0.926 19637 6534 1 9 . 1 1 8 8 PHE N N 8 121.132 121.132 116.112 5.020 19637 6535 1 9 . 1 1 8 8 PHE C C 8 171.861 171.861 174.769 -2.908 19637 6536 1 9 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.048 -1.499 19637 6537 1 9 . 1 1 8 8 PHE CB C 8 40.677 40.677 42.949 -2.272 19637 6538 1 9 . 1 1 8 8 PHE H H 8 8.574 8.574 8.042 0.532 19637 6539 1 9 . 1 1 9 9 MET N N 9 120.391 120.391 118.118 2.273 19637 6540 1 9 . 1 1 9 9 MET C C 9 174.166 174.166 174.784 -0.618 19637 6541 1 9 . 1 1 9 9 MET CA C 9 52.199 52.199 54.594 -2.395 19637 6542 1 9 . 1 1 9 9 MET CB C 9 37.307 37.307 36.449 0.858 19637 6543 1 9 . 1 1 9 9 MET H H 9 8.541 8.541 9.515 -0.974 19637 6544 1 9 . 1 1 10 10 ARG N N 10 117.892 117.892 115.585 2.307 19637 6545 1 9 . 1 1 10 10 ARG C C 10 175.289 175.289 174.009 1.280 19637 6546 1 9 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.170 -0.724 19637 6547 1 9 . 1 1 10 10 ARG CB C 10 31.366 31.366 33.741 -2.375 19637 6548 1 9 . 1 1 10 10 ARG H H 10 8.357 8.357 8.921 -0.564 19637 6549 1 9 . 1 1 11 11 ALA N N 11 119.664 119.664 121.972 -2.308 19637 6550 1 9 . 1 1 11 11 ALA C C 11 176.057 176.057 176.534 -0.477 19637 6551 1 9 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.130 -1.498 19637 6552 1 9 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.174 1.344 19637 6553 1 9 . 1 1 11 11 ALA H H 11 9.154 9.154 7.993 1.161 19637 6554 1 9 . 1 1 12 12 GLY N N 12 106.262 106.262 107.261 -0.999 19637 6555 1 9 . 1 1 12 12 GLY C C 12 172.068 172.068 172.998 -0.930 19637 6556 1 9 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.734 0.415 19637 6557 1 9 . 1 1 12 12 GLY H H 12 8.655 8.655 8.201 0.454 19637 6558 1 9 . 1 1 13 13 SER N N 13 116.893 116.893 120.452 -3.559 19637 6559 1 9 . 1 1 13 13 SER C C 13 173.604 173.604 173.525 0.079 19637 6560 1 9 . 1 1 13 13 SER CA C 13 56.367 56.367 56.353 0.014 19637 6561 1 9 . 1 1 13 13 SER CB C 13 64.087 64.087 63.950 0.137 19637 6562 1 9 . 1 1 13 13 SER H H 13 8.644 8.644 8.387 0.257 19637 6563 1 9 . 1 1 14 14 ALA N N 14 125.234 125.234 129.165 -3.931 19637 6564 1 9 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.592 -1.965 19637 6565 1 9 . 1 1 14 14 ALA CB C 14 18.330 18.330 18.391 -0.061 19637 6566 1 9 . 1 1 14 14 ALA H H 14 9.120 9.120 8.500 0.620 19637 6567 1 9 . 1 1 15 15 THR N N 15 121.303 121.303 121.339 -0.036 19637 6568 1 9 . 1 1 15 15 THR C C 15 175.230 175.230 173.435 1.795 19637 6569 1 9 . 1 1 15 15 THR CA C 15 60.895 60.895 61.786 -0.891 19637 6570 1 9 . 1 1 15 15 THR CB C 15 70.029 70.029 68.106 1.923 19637 6571 1 9 . 1 1 15 15 THR H H 15 9.351 9.351 8.119 1.232 19637 6572 1 9 . 1 1 16 16 VAL N N 16 126.781 126.781 127.861 -1.080 19637 6573 1 9 . 1 1 16 16 VAL C C 16 174.432 174.432 175.280 -0.848 19637 6574 1 9 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.130 -1.324 19637 6575 1 9 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.974 -2.052 19637 6576 1 9 . 1 1 16 16 VAL H H 16 9.110 9.110 8.287 0.823 19637 6577 1 9 . 1 1 17 17 ARG N N 17 129.806 129.806 128.872 0.934 19637 6578 1 9 . 1 1 17 17 ARG C C 17 173.440 173.440 173.861 -0.421 19637 6579 1 9 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.554 -1.147 19637 6580 1 9 . 1 1 17 17 ARG CB C 17 30.302 30.302 34.111 -3.808 19637 6581 1 9 . 1 1 17 17 ARG H H 17 9.325 9.325 8.953 0.372 19637 6582 1 9 . 1 1 19 19 THR N N 19 114.402 114.402 114.195 0.207 19637 6583 1 9 . 1 1 19 19 THR CA C 19 61.022 61.022 60.832 0.190 19637 6584 1 9 . 1 1 19 19 THR CB C 19 69.142 69.142 69.786 -0.644 19637 6585 1 9 . 1 1 19 19 THR H H 19 8.021 8.021 7.725 0.296 19637 6586 1 9 . 1 1 20 20 GLU N N 20 123.598 123.598 123.508 0.090 19637 6587 1 9 . 1 1 20 20 GLU C C 20 177.007 177.007 175.482 1.525 19637 6588 1 9 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.233 -0.753 19637 6589 1 9 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.274 -2.480 19637 6590 1 9 . 1 1 20 20 GLU H H 20 8.601 8.601 8.306 0.295 19637 6591 1 9 . 1 1 21 21 GLY N N 21 110.237 110.237 110.119 0.118 19637 6592 1 9 . 1 1 21 21 GLY C C 21 174.077 174.077 173.944 0.133 19637 6593 1 9 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.755 -1.095 19637 6594 1 9 . 1 1 21 21 GLY H H 21 8.530 8.530 8.642 -0.112 19637 6595 1 9 . 1 1 22 22 ALA N N 22 123.476 123.476 124.660 -1.184 19637 6596 1 9 . 1 1 22 22 ALA C C 22 178.158 178.158 177.161 0.997 19637 6597 1 9 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.755 -1.000 19637 6598 1 9 . 1 1 22 22 ALA CB C 22 17.778 17.778 17.011 0.767 19637 6599 1 9 . 1 1 22 22 ALA H H 22 8.279 8.279 7.878 0.401 19637 6600 1 9 . 1 1 23 23 GLY N N 23 107.265 107.265 105.554 1.711 19637 6601 1 9 . 1 1 23 23 GLY C C 23 174.727 174.727 173.810 0.917 19637 6602 1 9 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.637 -1.197 19637 6603 1 9 . 1 1 23 23 GLY H H 23 8.452 8.452 7.766 0.686 19637 6604 1 9 . 1 1 24 24 GLY N N 24 108.306 108.306 111.674 -3.368 19637 6605 1 9 . 1 1 24 24 GLY C C 24 174.786 174.786 174.807 -0.021 19637 6606 1 9 . 1 1 24 24 GLY CA C 24 44.440 44.440 47.045 -2.605 19637 6607 1 9 . 1 1 24 24 GLY H H 24 8.221 8.221 8.623 -0.402 19637 6608 1 9 . 1 1 25 25 THR N N 25 114.381 114.381 117.488 -3.107 19637 6609 1 9 . 1 1 25 25 THR C C 25 175.170 175.170 173.961 1.209 19637 6610 1 9 . 1 1 25 25 THR CA C 25 61.599 61.599 61.771 -0.172 19637 6611 1 9 . 1 1 25 25 THR CB C 25 68.521 68.521 69.190 -0.669 19637 6612 1 9 . 1 1 25 25 THR H H 25 8.213 8.213 8.087 0.126 19637 6613 1 9 . 1 1 26 26 LEU N N 26 123.038 123.038 121.278 1.760 19637 6614 1 9 . 1 1 26 26 LEU C C 26 177.918 177.918 176.330 1.588 19637 6615 1 9 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.542 -0.860 19637 6616 1 9 . 1 1 26 26 LEU CB C 26 40.145 40.145 40.310 -0.165 19637 6617 1 9 . 1 1 26 26 LEU H H 26 8.425 8.425 8.421 0.004 19637 6618 1 9 . 1 1 27 27 GLY N N 27 108.786 108.786 106.426 2.360 19637 6619 1 9 . 1 1 27 27 GLY C C 27 175.023 175.023 173.279 1.744 19637 6620 1 9 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.333 0.506 19637 6621 1 9 . 1 1 27 27 GLY H H 27 8.260 8.260 7.776 0.484 19637 6622 1 9 . 1 1 28 28 SER N N 28 116.175 116.175 119.109 -2.934 19637 6623 1 9 . 1 1 28 28 SER CA C 28 58.140 58.140 58.389 -0.249 19637 6624 1 9 . 1 1 28 28 SER CB C 28 62.846 62.846 62.883 -0.037 19637 6625 1 9 . 1 1 28 28 SER H H 28 8.330 8.330 8.457 -0.127 19637 6626 1 9 . 1 1 29 29 LEU N N 29 122.260 122.260 124.054 -1.794 19637 6627 1 9 . 1 1 29 29 LEU C C 29 177.512 177.512 176.988 0.524 19637 6628 1 9 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.051 -0.635 19637 6629 1 9 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.995 -3.673 19637 6630 1 9 . 1 1 29 29 LEU H H 29 8.157 8.157 7.683 0.474 19637 6631 1 9 . 1 1 30 30 GLY N N 30 107.575 107.575 112.042 -4.467 19637 6632 1 9 . 1 1 30 30 GLY C C 30 174.225 174.225 174.155 0.070 19637 6633 1 9 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.640 -0.112 19637 6634 1 9 . 1 1 30 30 GLY H H 30 8.144 8.144 8.575 -0.431 19637 6635 1 9 . 1 1 31 31 GLY N N 31 107.996 107.996 108.343 -0.347 19637 6636 1 9 . 1 1 31 31 GLY C C 31 173.664 173.664 172.744 0.920 19637 6637 1 9 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.799 -0.581 19637 6638 1 9 . 1 1 31 31 GLY H H 31 8.044 8.044 7.797 0.247 19637 6639 1 9 . 1 1 32 32 PHE N N 32 119.248 119.248 118.876 0.372 19637 6640 1 9 . 1 1 32 32 PHE C C 32 175.495 175.495 173.937 1.558 19637 6641 1 9 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.475 -1.102 19637 6642 1 9 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.465 -2.207 19637 6643 1 9 . 1 1 32 32 PHE H H 32 8.181 8.181 8.510 -0.329 19637 6644 1 9 . 1 1 33 33 SER N N 33 117.720 117.720 117.460 0.260 19637 6645 1 9 . 1 1 33 33 SER C C 33 173.368 173.368 172.598 0.770 19637 6646 1 9 . 1 1 33 33 SER CA C 33 55.746 55.746 57.503 -1.757 19637 6647 1 9 . 1 1 33 33 SER CB C 33 64.265 64.265 65.704 -1.440 19637 6648 1 9 . 1 1 33 33 SER H H 33 8.771 8.771 8.431 0.340 19637 6649 1 9 . 1 1 34 34 VAL N N 34 123.007 123.007 113.947 9.060 19637 6650 1 9 . 1 1 34 34 VAL CA C 34 59.426 59.426 59.738 -0.312 19637 6651 1 9 . 1 1 34 34 VAL CB C 34 32.785 32.785 35.181 -2.396 19637 6652 1 9 . 1 1 34 34 VAL H H 34 8.525 8.525 8.123 0.402 19637 6653 1 9 . 1 1 35 35 THR N N 35 115.459 115.459 111.915 3.544 19637 6654 1 9 . 1 1 35 35 THR CA C 35 61.200 61.200 61.848 -0.648 19637 6655 1 9 . 1 1 35 35 THR CB C 35 69.851 69.851 69.000 0.851 19637 6656 1 9 . 1 1 35 35 THR H H 35 8.147 8.147 8.186 -0.039 19637 6657 1 9 . 1 1 36 36 ASN N N 36 118.274 118.274 123.784 -5.510 19637 6658 1 9 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.277 -0.870 19637 6659 1 9 . 1 1 36 36 ASN CB C 36 38.105 38.105 42.097 -3.992 19637 6660 1 9 . 1 1 36 36 ASN H H 36 8.719 8.719 8.298 0.421 19637 6661 1 9 . 1 1 37 37 ASN N N 37 115.657 115.657 116.356 -0.699 19637 6662 1 9 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.358 1.507 19637 6663 1 9 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.403 2.909 19637 6664 1 9 . 1 1 37 37 ASN H H 37 8.432 8.432 8.446 -0.014 19637 6665 1 9 . 1 1 38 38 THR N N 38 122.444 122.444 116.668 5.776 19637 6666 1 9 . 1 1 38 38 THR CA C 38 61.288 61.288 63.004 -1.716 19637 6667 1 9 . 1 1 38 38 THR CB C 38 69.142 69.142 67.826 1.316 19637 6668 1 9 . 1 1 38 38 THR H H 38 8.095 8.095 8.506 -0.411 19637 6669 1 9 . 1 1 40 40 LEU N N 40 120.457 120.457 119.051 1.406 19637 6670 1 9 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.211 0.116 19637 6671 1 9 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.878 -1.660 19637 6672 1 9 . 1 1 40 40 LEU H H 40 6.902 6.902 8.204 -1.302 19637 6673 1 9 . 1 1 41 41 GLY N N 41 111.223 111.223 110.743 0.480 19637 6674 1 9 . 1 1 41 41 GLY C C 41 171.034 171.034 172.758 -1.724 19637 6675 1 9 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.572 -0.729 19637 6676 1 9 . 1 1 41 41 GLY H H 41 8.978 8.978 8.582 0.396 19637 6677 1 9 . 1 1 42 42 LEU N N 42 122.123 122.123 121.114 1.009 19637 6678 1 9 . 1 1 42 42 LEU C C 42 175.350 175.350 174.410 0.940 19637 6679 1 9 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.545 -2.390 19637 6680 1 9 . 1 1 42 42 LEU CB C 42 45.377 45.377 46.403 -1.026 19637 6681 1 9 . 1 1 42 42 LEU H H 42 8.679 8.679 8.801 -0.122 19637 6682 1 9 . 1 1 43 43 THR N N 43 109.917 109.917 117.632 -7.715 19637 6683 1 9 . 1 1 43 43 THR C C 43 173.516 173.516 173.113 0.403 19637 6684 1 9 . 1 1 43 43 THR CA C 43 58.057 58.057 60.603 -2.546 19637 6685 1 9 . 1 1 43 43 THR CB C 43 70.029 70.029 71.604 -1.575 19637 6686 1 9 . 1 1 43 43 THR H H 43 8.792 8.792 8.367 0.425 19637 6687 1 9 . 1 1 44 44 PHE N N 44 118.699 118.699 121.041 -2.342 19637 6688 1 9 . 1 1 44 44 PHE C C 44 173.917 173.917 173.746 0.171 19637 6689 1 9 . 1 1 44 44 PHE CA C 44 55.480 55.480 57.222 -1.742 19637 6690 1 9 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.818 -2.053 19637 6691 1 9 . 1 1 44 44 PHE H H 44 8.566 8.566 8.888 -0.322 19637 6692 1 9 . 1 1 45 45 THR N N 45 118.229 118.229 114.807 3.422 19637 6693 1 9 . 1 1 45 45 THR C C 45 170.886 170.886 173.246 -2.360 19637 6694 1 9 . 1 1 45 45 THR CA C 45 60.097 60.097 59.487 0.610 19637 6695 1 9 . 1 1 45 45 THR CB C 45 68.433 68.433 71.170 -2.737 19637 6696 1 9 . 1 1 45 45 THR H H 45 7.903 7.903 8.656 -0.753 19637 6697 1 9 . 1 1 46 46 TYR N N 46 124.450 124.450 120.596 3.854 19637 6698 1 9 . 1 1 46 46 TYR C C 46 174.254 174.254 174.695 -0.441 19637 6699 1 9 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.440 -1.290 19637 6700 1 9 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.471 1.802 19637 6701 1 9 . 1 1 46 46 TYR H H 46 8.941 8.941 8.325 0.616 19637 6702 1 9 . 1 1 47 47 MET N N 47 123.598 123.598 124.879 -1.281 19637 6703 1 9 . 1 1 47 47 MET C C 47 175.082 175.082 175.495 -0.413 19637 6704 1 9 . 1 1 47 47 MET CA C 47 50.425 50.425 55.948 -5.523 19637 6705 1 9 . 1 1 47 47 MET CB C 47 26.222 26.222 33.407 -7.185 19637 6706 1 9 . 1 1 47 47 MET H H 47 7.798 7.798 8.884 -1.086 19637 6707 1 9 . 1 1 48 48 ALA N N 48 129.975 129.975 127.240 2.735 19637 6708 1 9 . 1 1 48 48 ALA C C 48 178.568 178.568 177.051 1.517 19637 6709 1 9 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.036 -0.731 19637 6710 1 9 . 1 1 48 48 ALA CB C 48 17.712 17.712 20.891 -3.179 19637 6711 1 9 . 1 1 48 48 ALA H H 48 8.717 8.717 8.644 0.073 19637 6712 1 9 . 1 1 49 49 THR N N 49 106.011 106.011 110.277 -4.266 19637 6713 1 9 . 1 1 49 49 THR C C 49 171.950 171.950 172.830 -0.880 19637 6714 1 9 . 1 1 49 49 THR CA C 49 57.786 57.786 62.770 -4.984 19637 6715 1 9 . 1 1 49 49 THR CB C 49 70.535 70.535 68.057 2.478 19637 6716 1 9 . 1 1 49 49 THR H H 49 8.072 8.072 8.121 -0.049 19637 6717 1 9 . 1 1 50 50 ASP N N 50 114.062 114.062 121.781 -7.719 19637 6718 1 9 . 1 1 50 50 ASP C C 50 175.318 175.318 175.489 -0.171 19637 6719 1 9 . 1 1 50 50 ASP CA C 50 54.776 54.776 55.102 -0.326 19637 6720 1 9 . 1 1 50 50 ASP CB C 50 39.790 39.790 41.119 -1.329 19637 6721 1 9 . 1 1 50 50 ASP H H 50 8.390 8.390 8.097 0.293 19637 6722 1 9 . 1 1 51 51 ASN N N 51 111.850 111.850 114.997 -3.147 19637 6723 1 9 . 1 1 51 51 ASN C C 51 171.684 171.684 173.550 -1.866 19637 6724 1 9 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.739 -0.323 19637 6725 1 9 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.006 2.227 19637 6726 1 9 . 1 1 51 51 ASN H H 51 7.887 7.887 8.596 -0.709 19637 6727 1 9 . 1 1 52 52 ILE N N 52 118.929 118.929 111.649 7.280 19637 6728 1 9 . 1 1 52 52 ILE C C 52 175.495 175.495 174.837 0.658 19637 6729 1 9 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.136 0.512 19637 6730 1 9 . 1 1 52 52 ILE CB C 52 37.484 37.484 39.222 -1.738 19637 6731 1 9 . 1 1 52 52 ILE H H 52 7.707 7.707 7.188 0.519 19637 6732 1 9 . 1 1 53 53 GLY N N 53 114.998 114.998 114.765 0.233 19637 6733 1 9 . 1 1 53 53 GLY C C 53 171.536 171.536 172.764 -1.228 19637 6734 1 9 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.373 -0.441 19637 6735 1 9 . 1 1 53 53 GLY H H 53 8.678 8.678 9.164 -0.486 19637 6736 1 9 . 1 1 54 54 VAL N N 54 118.327 118.327 121.436 -3.109 19637 6737 1 9 . 1 1 54 54 VAL C C 54 173.309 173.309 174.570 -1.261 19637 6738 1 9 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.001 -1.353 19637 6739 1 9 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.021 -0.148 19637 6740 1 9 . 1 1 54 54 VAL H H 54 8.734 8.734 8.374 0.360 19637 6741 1 9 . 1 1 55 55 GLU N N 55 126.907 126.907 128.648 -1.741 19637 6742 1 9 . 1 1 55 55 GLU C C 55 173.575 173.575 174.957 -1.382 19637 6743 1 9 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.233 -0.964 19637 6744 1 9 . 1 1 55 55 GLU CB C 55 34.727 34.727 31.957 2.770 19637 6745 1 9 . 1 1 55 55 GLU H H 55 9.084 9.084 8.592 0.492 19637 6746 1 9 . 1 1 56 56 LEU N N 56 126.739 126.739 128.532 -1.793 19637 6747 1 9 . 1 1 56 56 LEU C C 56 174.786 174.786 175.511 -0.725 19637 6748 1 9 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.909 -1.976 19637 6749 1 9 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.793 1.229 19637 6750 1 9 . 1 1 56 56 LEU H H 56 9.168 9.168 9.207 -0.039 19637 6751 1 9 . 1 1 57 57 LEU N N 57 127.189 127.189 125.461 1.728 19637 6752 1 9 . 1 1 57 57 LEU C C 57 174.579 174.579 175.037 -0.458 19637 6753 1 9 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.648 -0.557 19637 6754 1 9 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.597 -2.437 19637 6755 1 9 . 1 1 57 57 LEU H H 57 9.174 9.174 8.387 0.787 19637 6756 1 9 . 1 1 58 58 ALA N N 58 125.061 125.061 124.477 0.584 19637 6757 1 9 . 1 1 58 58 ALA C C 58 172.925 172.925 175.208 -2.283 19637 6758 1 9 . 1 1 58 58 ALA CA C 58 48.924 48.924 51.035 -2.111 19637 6759 1 9 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.686 -1.607 19637 6760 1 9 . 1 1 58 58 ALA H H 58 9.435 9.435 8.622 0.813 19637 6761 1 9 . 1 1 59 59 ALA N N 59 116.911 116.911 123.388 -6.477 19637 6762 1 9 . 1 1 59 59 ALA C C 59 176.248 176.248 176.259 -0.011 19637 6763 1 9 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.674 -1.603 19637 6764 1 9 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.287 -0.628 19637 6765 1 9 . 1 1 59 59 ALA H H 59 6.833 6.833 8.186 -1.353 19637 6766 1 9 . 1 1 60 60 THR N N 60 105.771 105.771 113.609 -7.838 19637 6767 1 9 . 1 1 60 60 THR C C 60 170.975 170.975 174.066 -3.091 19637 6768 1 9 . 1 1 60 60 THR CA C 60 59.515 59.515 60.761 -1.246 19637 6769 1 9 . 1 1 60 60 THR CB C 60 63.487 63.487 68.442 -4.955 19637 6770 1 9 . 1 1 60 60 THR H H 60 7.718 7.718 8.373 -0.655 19637 6771 1 9 . 1 1 62 62 PHE N N 62 122.473 122.473 116.764 5.709 19637 6772 1 9 . 1 1 62 62 PHE C C 62 174.934 174.934 174.840 0.094 19637 6773 1 9 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.273 -0.552 19637 6774 1 9 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.560 0.052 19637 6775 1 9 . 1 1 62 62 PHE H H 62 8.251 8.251 7.556 0.695 19637 6776 1 9 . 1 1 63 63 ARG N N 63 118.016 118.016 124.581 -6.565 19637 6777 1 9 . 1 1 63 63 ARG C C 63 174.423 174.423 173.753 0.670 19637 6778 1 9 . 1 1 63 63 ARG CA C 63 52.648 52.648 56.005 -3.357 19637 6779 1 9 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.482 -1.584 19637 6780 1 9 . 1 1 63 63 ARG H H 63 7.378 7.378 8.151 -0.773 19637 6781 1 9 . 1 1 64 64 HIS N N 64 120.040 120.040 119.168 0.872 19637 6782 1 9 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.389 -2.436 19637 6783 1 9 . 1 1 64 64 HIS H H 64 8.588 8.588 8.066 0.522 19637 6784 1 9 . 1 1 66 66 ILE N N 66 122.668 122.668 123.402 -0.734 19637 6785 1 9 . 1 1 66 66 ILE C C 66 175.141 175.141 175.748 -0.607 19637 6786 1 9 . 1 1 66 66 ILE CA C 66 57.963 57.963 61.035 -3.072 19637 6787 1 9 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.391 -0.754 19637 6788 1 9 . 1 1 66 66 ILE H H 66 8.726 8.726 8.024 0.702 19637 6789 1 9 . 1 1 67 67 GLY N N 67 114.948 114.948 112.513 2.435 19637 6790 1 9 . 1 1 67 67 GLY C C 67 172.570 172.570 173.380 -0.810 19637 6791 1 9 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.946 -0.817 19637 6792 1 9 . 1 1 67 67 GLY H H 67 8.780 8.780 8.375 0.405 19637 6793 1 9 . 1 1 68 68 THR N N 68 106.079 106.079 113.091 -7.012 19637 6794 1 9 . 1 1 68 68 THR C C 68 175.574 175.574 174.566 1.008 19637 6795 1 9 . 1 1 68 68 THR CA C 68 58.672 58.672 60.507 -1.835 19637 6796 1 9 . 1 1 68 68 THR CB C 68 71.270 71.270 70.451 0.819 19637 6797 1 9 . 1 1 68 68 THR H H 68 7.431 7.431 7.503 -0.072 19637 6798 1 9 . 1 1 69 69 ARG N N 69 122.303 122.303 122.793 -0.490 19637 6799 1 9 . 1 1 69 69 ARG C C 69 178.298 178.298 177.550 0.748 19637 6800 1 9 . 1 1 69 69 ARG CA C 69 58.229 58.229 59.128 -0.899 19637 6801 1 9 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.105 -1.932 19637 6802 1 9 . 1 1 69 69 ARG H H 69 8.783 8.783 8.793 -0.010 19637 6803 1 9 . 1 1 70 70 ALA N N 70 117.681 117.681 117.780 -0.099 19637 6804 1 9 . 1 1 70 70 ALA C C 70 179.281 179.281 177.243 2.038 19637 6805 1 9 . 1 1 70 70 ALA CA C 70 53.269 53.269 53.396 -0.127 19637 6806 1 9 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.556 -0.581 19637 6807 1 9 . 1 1 70 70 ALA H H 70 8.262 8.262 8.359 -0.097 19637 6808 1 9 . 1 1 71 71 THR N N 71 105.486 105.486 109.100 -3.614 19637 6809 1 9 . 1 1 71 71 THR C C 71 176.136 176.136 175.399 0.737 19637 6810 1 9 . 1 1 71 71 THR CA C 71 60.895 60.895 62.720 -1.825 19637 6811 1 9 . 1 1 71 71 THR CB C 71 70.383 70.383 69.349 1.034 19637 6812 1 9 . 1 1 71 71 THR H H 71 7.473 7.473 7.775 -0.302 19637 6813 1 9 . 1 1 72 72 GLY N N 72 111.099 111.099 109.754 1.345 19637 6814 1 9 . 1 1 72 72 GLY C C 72 175.052 175.052 174.196 0.856 19637 6815 1 9 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.271 -1.225 19637 6816 1 9 . 1 1 72 72 GLY H H 72 8.194 8.194 7.539 0.655 19637 6817 1 9 . 1 1 73 73 ASP N N 73 121.919 121.919 123.742 -1.823 19637 6818 1 9 . 1 1 73 73 ASP C C 73 177.889 177.889 176.676 1.213 19637 6819 1 9 . 1 1 73 73 ASP CA C 73 55.042 55.042 52.817 2.225 19637 6820 1 9 . 1 1 73 73 ASP CB C 73 39.524 39.524 41.944 -2.420 19637 6821 1 9 . 1 1 73 73 ASP H H 73 8.668 8.668 8.082 0.586 19637 6822 1 9 . 1 1 74 74 ILE N N 74 117.113 117.113 120.111 -2.998 19637 6823 1 9 . 1 1 74 74 ILE C C 74 175.013 175.013 174.998 0.015 19637 6824 1 9 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.441 -2.527 19637 6825 1 9 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.500 4.797 19637 6826 1 9 . 1 1 74 74 ILE H H 74 9.327 9.327 7.836 1.491 19637 6827 1 9 . 1 1 75 75 ALA N N 75 121.329 121.329 129.099 -7.770 19637 6828 1 9 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.969 -0.544 19637 6829 1 9 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.972 -0.449 19637 6830 1 9 . 1 1 75 75 ALA H H 75 8.086 8.086 7.900 0.186 19637 6831 1 9 . 1 1 76 76 THR N N 76 116.168 116.168 113.885 2.283 19637 6832 1 9 . 1 1 76 76 THR C C 76 173.043 173.043 173.509 -0.466 19637 6833 1 9 . 1 1 76 76 THR CA C 76 60.540 60.540 60.824 -0.284 19637 6834 1 9 . 1 1 76 76 THR CB C 76 69.674 69.674 68.399 1.275 19637 6835 1 9 . 1 1 76 76 THR H H 76 8.539 8.539 7.938 0.601 19637 6836 1 9 . 1 1 77 77 VAL N N 77 117.996 117.996 120.818 -2.822 19637 6837 1 9 . 1 1 77 77 VAL C C 77 174.964 174.964 174.349 0.615 19637 6838 1 9 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.157 -1.809 19637 6839 1 9 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.690 -0.664 19637 6840 1 9 . 1 1 77 77 VAL H H 77 8.578 8.578 7.538 1.040 19637 6841 1 9 . 1 1 78 78 HIS N N 78 116.541 116.541 126.151 -9.610 19637 6842 1 9 . 1 1 78 78 HIS C C 78 173.634 173.634 175.021 -1.387 19637 6843 1 9 . 1 1 78 78 HIS CA C 78 52.825 52.825 57.246 -4.421 19637 6844 1 9 . 1 1 78 78 HIS CB C 78 29.947 29.947 30.661 -0.714 19637 6845 1 9 . 1 1 78 78 HIS H H 78 7.822 7.822 9.101 -1.279 19637 6846 1 9 . 1 1 79 79 HIS N N 79 113.176 113.176 122.772 -9.596 19637 6847 1 9 . 1 1 79 79 HIS C C 79 173.841 173.841 174.309 -0.468 19637 6848 1 9 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.545 -0.129 19637 6849 1 9 . 1 1 79 79 HIS CB C 79 34.026 34.026 33.206 0.820 19637 6850 1 9 . 1 1 79 79 HIS H H 79 7.912 7.912 8.246 -0.334 19637 6851 1 9 . 1 1 80 80 LEU N N 80 118.153 118.153 122.728 -4.575 19637 6852 1 9 . 1 1 80 80 LEU C C 80 177.821 177.821 175.707 2.114 19637 6853 1 9 . 1 1 80 80 LEU CA C 80 50.159 50.159 50.842 -0.683 19637 6854 1 9 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.963 2.300 19637 6855 1 9 . 1 1 80 80 LEU H H 80 8.205 8.205 8.441 -0.236 19637 6856 1 9 . 1 1 83 83 THR N N 83 115.326 115.326 118.912 -3.586 19637 6857 1 9 . 1 1 83 83 THR C C 83 171.362 171.362 173.648 -2.286 19637 6858 1 9 . 1 1 83 83 THR CA C 83 60.540 60.540 61.257 -0.717 19637 6859 1 9 . 1 1 83 83 THR CB C 83 72.068 72.068 72.331 -0.263 19637 6860 1 9 . 1 1 83 83 THR H H 83 7.688 7.688 8.625 -0.937 19637 6861 1 9 . 1 1 84 84 LEU N N 84 129.848 129.848 125.603 4.245 19637 6862 1 9 . 1 1 84 84 LEU C C 84 174.373 174.373 175.142 -0.769 19637 6863 1 9 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.590 -2.169 19637 6864 1 9 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.037 -0.281 19637 6865 1 9 . 1 1 84 84 LEU H H 84 9.013 9.013 8.488 0.525 19637 6866 1 9 . 1 1 85 85 MET N N 85 121.374 121.374 120.263 1.111 19637 6867 1 9 . 1 1 85 85 MET C C 85 175.407 175.407 174.218 1.189 19637 6868 1 9 . 1 1 85 85 MET CA C 85 52.421 52.421 54.134 -1.713 19637 6869 1 9 . 1 1 85 85 MET CB C 85 34.558 34.558 37.707 -3.149 19637 6870 1 9 . 1 1 85 85 MET H H 85 9.823 9.823 8.847 0.976 19637 6871 1 9 . 1 1 86 86 ALA N N 86 123.689 123.689 122.330 1.359 19637 6872 1 9 . 1 1 86 86 ALA C C 86 176.205 176.205 175.369 0.836 19637 6873 1 9 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.214 -1.409 19637 6874 1 9 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.939 -2.989 19637 6875 1 9 . 1 1 86 86 ALA H H 86 9.080 9.080 8.798 0.282 19637 6876 1 9 . 1 1 87 87 GLN N N 87 116.548 116.548 122.524 -5.976 19637 6877 1 9 . 1 1 87 87 GLN C C 87 175.495 175.495 173.421 2.074 19637 6878 1 9 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.449 -1.091 19637 6879 1 9 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.345 1.947 19637 6880 1 9 . 1 1 87 87 GLN H H 87 9.061 9.061 9.052 0.009 19637 6881 1 9 . 1 1 88 88 TRP N N 88 119.609 119.609 117.030 2.579 19637 6882 1 9 . 1 1 88 88 TRP C C 88 174.727 174.727 173.366 1.361 19637 6883 1 9 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.725 -1.771 19637 6884 1 9 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.713 -1.234 19637 6885 1 9 . 1 1 88 88 TRP H H 88 8.893 8.893 8.628 0.265 19637 6886 1 9 . 1 1 89 89 TYR N N 89 124.849 124.849 118.288 6.561 19637 6887 1 9 . 1 1 89 89 TYR C C 89 176.382 176.382 174.539 1.843 19637 6888 1 9 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.791 -0.749 19637 6889 1 9 . 1 1 89 89 TYR H H 89 8.815 8.815 8.515 0.300 19637 6890 1 9 . 1 1 90 90 PHE N N 90 122.137 122.137 125.608 -3.471 19637 6891 1 9 . 1 1 90 90 PHE C C 90 176.304 176.304 174.743 1.561 19637 6892 1 9 . 1 1 90 90 PHE CA C 90 57.821 57.821 58.892 -1.071 19637 6893 1 9 . 1 1 90 90 PHE CB C 90 38.460 38.460 41.076 -2.616 19637 6894 1 9 . 1 1 90 90 PHE H H 90 9.171 9.171 8.434 0.737 19637 6895 1 9 . 1 1 91 91 GLY N N 91 108.961 108.961 111.749 -2.788 19637 6896 1 9 . 1 1 91 91 GLY C C 91 172.748 172.748 174.423 -1.675 19637 6897 1 9 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.454 -1.123 19637 6898 1 9 . 1 1 91 91 GLY H H 91 9.342 9.342 8.794 0.548 19637 6899 1 9 . 1 1 92 92 ASP N N 92 119.869 119.869 117.904 1.965 19637 6900 1 9 . 1 1 92 92 ASP C C 92 175.968 175.968 176.813 -0.845 19637 6901 1 9 . 1 1 92 92 ASP CA C 92 51.622 51.622 55.990 -4.368 19637 6902 1 9 . 1 1 92 92 ASP CB C 92 41.563 41.563 39.968 1.595 19637 6903 1 9 . 1 1 92 92 ASP H H 92 8.612 8.612 8.831 -0.219 19637 6904 1 9 . 1 1 93 93 ALA N N 93 117.665 117.665 122.186 -4.521 19637 6905 1 9 . 1 1 93 93 ALA C C 93 178.748 178.748 176.953 1.795 19637 6906 1 9 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.197 0.983 19637 6907 1 9 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.831 -2.920 19637 6908 1 9 . 1 1 93 93 ALA H H 93 8.673 8.673 7.930 0.743 19637 6909 1 9 . 1 1 94 94 SER N N 94 115.062 115.062 115.567 -0.505 19637 6910 1 9 . 1 1 94 94 SER C C 94 175.348 175.348 173.660 1.688 19637 6911 1 9 . 1 1 94 94 SER CA C 94 58.185 58.185 58.440 -0.254 19637 6912 1 9 . 1 1 94 94 SER CB C 94 62.757 62.757 62.594 0.163 19637 6913 1 9 . 1 1 94 94 SER H H 94 8.902 8.902 8.497 0.405 19637 6914 1 9 . 1 1 95 95 SER N N 95 120.754 120.754 116.002 4.752 19637 6915 1 9 . 1 1 95 95 SER CA C 95 58.451 58.451 57.361 1.090 19637 6916 1 9 . 1 1 95 95 SER CB C 95 62.580 62.580 63.780 -1.200 19637 6917 1 9 . 1 1 95 95 SER H H 95 7.922 7.922 7.752 0.170 19637 6918 1 9 . 1 1 96 96 LYS N N 96 120.924 120.924 119.437 1.487 19637 6919 1 9 . 1 1 96 96 LYS CA C 96 54.599 54.599 58.249 -3.650 19637 6920 1 9 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.072 -0.706 19637 6921 1 9 . 1 1 96 96 LYS H H 96 8.555 8.555 8.217 0.338 19637 6922 1 9 . 1 1 97 97 PHE N N 97 117.773 117.773 114.941 2.832 19637 6923 1 9 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.175 -1.487 19637 6924 1 9 . 1 1 97 97 PHE CB C 97 40.322 40.322 39.796 0.526 19637 6925 1 9 . 1 1 97 97 PHE H H 97 7.596 7.596 6.875 0.721 19637 6926 1 9 . 1 1 98 98 ARG N N 98 120.982 120.982 120.771 0.211 19637 6927 1 9 . 1 1 98 98 ARG C C 98 173.047 173.047 174.200 -1.153 19637 6928 1 9 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.677 -1.206 19637 6929 1 9 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.996 -0.364 19637 6930 1 9 . 1 1 98 98 ARG H H 98 8.823 8.823 8.905 -0.082 19637 6931 1 9 . 1 1 100 100 TYR N N 100 117.775 117.775 117.023 0.752 19637 6932 1 9 . 1 1 100 100 TYR C C 100 173.047 173.047 174.700 -1.653 19637 6933 1 9 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.498 -2.544 19637 6934 1 9 . 1 1 100 100 TYR CB C 100 39.524 39.524 40.096 -0.572 19637 6935 1 9 . 1 1 100 100 TYR H H 100 8.885 8.885 8.610 0.275 19637 6936 1 9 . 1 1 101 101 VAL N N 101 111.744 111.744 122.697 -10.953 19637 6937 1 9 . 1 1 101 101 VAL C C 101 173.457 173.457 175.138 -1.681 19637 6938 1 9 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.930 -2.825 19637 6939 1 9 . 1 1 101 101 VAL CB C 101 34.381 34.381 33.664 0.716 19637 6940 1 9 . 1 1 101 101 VAL H H 101 8.365 8.365 8.423 -0.058 19637 6941 1 9 . 1 1 102 102 GLY N N 102 108.300 108.300 113.566 -5.266 19637 6942 1 9 . 1 1 102 102 GLY C C 102 171.241 171.241 171.725 -0.484 19637 6943 1 9 . 1 1 102 102 GLY CA C 102 44.972 44.972 45.691 -0.719 19637 6944 1 9 . 1 1 102 102 GLY H H 102 8.271 8.271 8.624 -0.353 19637 6945 1 9 . 1 1 103 103 ALA N N 103 120.836 120.836 121.990 -1.154 19637 6946 1 9 . 1 1 103 103 ALA C C 103 175.614 175.614 175.887 -0.273 19637 6947 1 9 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.718 -0.885 19637 6948 1 9 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.596 -0.878 19637 6949 1 9 . 1 1 103 103 ALA H H 103 9.048 9.048 8.289 0.759 19637 6950 1 9 . 1 1 104 104 GLY N N 104 107.477 107.477 108.492 -1.015 19637 6951 1 9 . 1 1 104 104 GLY C C 104 171.832 171.832 173.007 -1.175 19637 6952 1 9 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.060 3.419 19637 6953 1 9 . 1 1 104 104 GLY H H 104 8.661 8.661 8.266 0.395 19637 6954 1 9 . 1 1 105 105 ILE N N 105 118.575 118.575 117.648 0.927 19637 6955 1 9 . 1 1 105 105 ILE C C 105 172.275 172.275 173.940 -1.665 19637 6956 1 9 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.880 -3.533 19637 6957 1 9 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.426 0.226 19637 6958 1 9 . 1 1 105 105 ILE H H 105 9.020 9.020 8.328 0.692 19637 6959 1 9 . 1 1 106 106 ASN N N 106 123.879 123.879 124.628 -0.749 19637 6960 1 9 . 1 1 106 106 ASN C C 106 171.418 171.418 173.441 -2.023 19637 6961 1 9 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.564 0.020 19637 6962 1 9 . 1 1 106 106 ASN CB C 106 40.854 40.854 41.286 -0.432 19637 6963 1 9 . 1 1 106 106 ASN H H 106 9.659 9.659 8.839 0.820 19637 6964 1 9 . 1 1 107 107 TYR N N 107 125.744 125.744 128.279 -2.535 19637 6965 1 9 . 1 1 107 107 TYR C C 107 173.073 173.073 174.948 -1.875 19637 6966 1 9 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.040 -2.536 19637 6967 1 9 . 1 1 107 107 TYR CB C 107 40.854 40.854 40.203 0.651 19637 6968 1 9 . 1 1 107 107 TYR H H 107 8.273 8.273 8.689 -0.416 19637 6969 1 9 . 1 1 108 108 THR N N 108 119.337 119.337 119.280 0.057 19637 6970 1 9 . 1 1 108 108 THR C C 108 172.457 172.457 173.876 -1.419 19637 6971 1 9 . 1 1 108 108 THR CA C 108 60.452 60.452 59.808 0.644 19637 6972 1 9 . 1 1 108 108 THR CB C 108 69.319 69.319 71.613 -2.294 19637 6973 1 9 . 1 1 108 108 THR H H 108 8.446 8.446 8.791 -0.345 19637 6974 1 9 . 1 1 109 109 THR N N 109 118.655 118.655 116.990 1.665 19637 6975 1 9 . 1 1 109 109 THR C C 109 171.625 171.625 173.454 -1.829 19637 6976 1 9 . 1 1 109 109 THR CA C 109 56.810 56.810 60.616 -3.806 19637 6977 1 9 . 1 1 109 109 THR H H 109 7.548 7.548 8.524 -0.976 19637 6978 1 9 . 1 1 112 112 ASP N N 112 116.796 116.796 122.147 -5.351 19637 6979 1 9 . 1 1 112 112 ASP C C 112 175.490 175.490 174.513 0.977 19637 6980 1 9 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.681 -0.797 19637 6981 1 9 . 1 1 112 112 ASP CB C 112 37.662 37.662 43.039 -5.377 19637 6982 1 9 . 1 1 112 112 ASP H H 112 8.995 8.995 8.737 0.258 19637 6983 1 9 . 1 1 113 113 ASN N N 113 117.801 117.801 120.113 -2.312 19637 6984 1 9 . 1 1 113 113 ASN C C 113 175.702 175.702 174.799 0.903 19637 6985 1 9 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.539 -1.803 19637 6986 1 9 . 1 1 113 113 ASN CB C 113 39.348 39.348 41.605 -2.257 19637 6987 1 9 . 1 1 113 113 ASN H H 113 8.410 8.410 8.468 -0.058 19637 6988 1 9 . 1 1 114 114 GLY N N 114 107.744 107.744 108.749 -1.005 19637 6989 1 9 . 1 1 114 114 GLY C C 114 171.979 171.979 173.890 -1.911 19637 6990 1 9 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.645 0.149 19637 6991 1 9 . 1 1 114 114 GLY H H 114 8.557 8.557 7.792 0.765 19637 6992 1 9 . 1 1 115 115 PHE N N 115 119.554 119.554 117.661 1.893 19637 6993 1 9 . 1 1 115 115 PHE C C 115 176.192 176.192 174.567 1.625 19637 6994 1 9 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.636 -1.146 19637 6995 1 9 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.284 0.797 19637 6996 1 9 . 1 1 115 115 PHE H H 115 8.607 8.607 8.000 0.607 19637 6997 1 9 . 1 1 116 116 ASN N N 116 120.356 120.356 119.374 0.982 19637 6998 1 9 . 1 1 116 116 ASN C C 116 175.407 175.407 175.324 0.083 19637 6999 1 9 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.567 -2.496 19637 7000 1 9 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.471 -4.431 19637 7001 1 9 . 1 1 116 116 ASN H H 116 8.240 8.240 8.554 -0.314 19637 7002 1 9 . 1 1 117 117 ASP N N 117 117.610 117.610 120.561 -2.951 19637 7003 1 9 . 1 1 117 117 ASP C C 117 178.298 178.298 177.951 0.347 19637 7004 1 9 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.787 -0.439 19637 7005 1 9 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.868 -2.320 19637 7006 1 9 . 1 1 117 117 ASP H H 117 8.460 8.460 8.907 -0.447 19637 7007 1 9 . 1 1 118 118 HIS N N 118 118.493 118.493 117.864 0.629 19637 7008 1 9 . 1 1 118 118 HIS C C 118 177.821 177.821 177.495 0.326 19637 7009 1 9 . 1 1 118 118 HIS CA C 118 56.766 56.766 59.171 -2.405 19637 7010 1 9 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.894 -3.167 19637 7011 1 9 . 1 1 118 118 HIS H H 118 8.185 8.185 8.510 -0.325 19637 7012 1 9 . 1 1 119 119 GLY N N 119 107.937 107.937 106.819 1.118 19637 7013 1 9 . 1 1 119 119 GLY C C 119 175.082 175.082 176.096 -1.014 19637 7014 1 9 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.917 -0.305 19637 7015 1 9 . 1 1 119 119 GLY H H 119 8.788 8.788 8.561 0.227 19637 7016 1 9 . 1 1 120 120 LYS N N 120 122.898 122.898 122.201 0.697 19637 7017 1 9 . 1 1 120 120 LYS C C 120 181.612 181.612 179.332 2.280 19637 7018 1 9 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.780 -1.063 19637 7019 1 9 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.509 -1.853 19637 7020 1 9 . 1 1 120 120 LYS H H 120 8.890 8.890 8.331 0.559 19637 7021 1 9 . 1 1 121 121 GLU N N 121 120.995 120.995 119.154 1.841 19637 7022 1 9 . 1 1 121 121 GLU C C 121 177.327 177.327 176.595 0.732 19637 7023 1 9 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.408 -0.755 19637 7024 1 9 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.531 -1.801 19637 7025 1 9 . 1 1 121 121 GLU H H 121 8.234 8.234 7.892 0.342 19637 7026 1 9 . 1 1 122 122 ALA N N 122 119.811 119.811 119.289 0.522 19637 7027 1 9 . 1 1 122 122 ALA C C 122 176.500 176.500 177.505 -1.005 19637 7028 1 9 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.361 -0.319 19637 7029 1 9 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.840 -3.130 19637 7030 1 9 . 1 1 122 122 ALA H H 122 7.259 7.259 7.289 -0.030 19637 7031 1 9 . 1 1 123 123 GLY N N 123 103.863 103.863 107.446 -3.583 19637 7032 1 9 . 1 1 123 123 GLY C C 123 175.082 175.082 174.425 0.657 19637 7033 1 9 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.770 -1.506 19637 7034 1 9 . 1 1 123 123 GLY H H 123 7.745 7.745 7.700 0.045 19637 7035 1 9 . 1 1 124 124 LEU N N 124 123.722 123.722 119.304 4.418 19637 7036 1 9 . 1 1 124 124 LEU C C 124 176.293 176.293 175.162 1.131 19637 7037 1 9 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.091 -0.822 19637 7038 1 9 . 1 1 124 124 LEU CB C 124 38.016 38.016 43.954 -5.938 19637 7039 1 9 . 1 1 124 124 LEU H H 124 7.461 7.461 8.194 -0.733 19637 7040 1 9 . 1 1 125 125 SER N N 125 114.112 114.112 115.691 -1.579 19637 7041 1 9 . 1 1 125 125 SER C C 125 173.250 173.250 173.543 -0.293 19637 7042 1 9 . 1 1 125 125 SER CA C 125 57.259 57.259 58.092 -0.833 19637 7043 1 9 . 1 1 125 125 SER CB C 125 65.684 65.684 65.578 0.106 19637 7044 1 9 . 1 1 125 125 SER H H 125 8.809 8.809 8.320 0.489 19637 7045 1 9 . 1 1 126 126 ASP N N 126 117.817 117.817 122.341 -4.524 19637 7046 1 9 . 1 1 126 126 ASP C C 126 174.107 174.107 178.240 -4.133 19637 7047 1 9 . 1 1 126 126 ASP CA C 126 54.593 54.593 57.623 -3.030 19637 7048 1 9 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.689 -1.963 19637 7049 1 9 . 1 1 126 126 ASP H H 126 9.035 9.035 8.533 0.502 19637 7050 1 9 . 1 1 127 127 LEU N N 127 120.160 120.160 115.070 5.090 19637 7051 1 9 . 1 1 127 127 LEU C C 127 176.726 176.726 175.556 1.170 19637 7052 1 9 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.210 -2.839 19637 7053 1 9 . 1 1 127 127 LEU CB C 127 40.322 40.322 41.935 -1.613 19637 7054 1 9 . 1 1 127 127 LEU H H 127 8.109 8.109 8.219 -0.110 19637 7055 1 9 . 1 1 128 128 SER N N 128 120.909 120.909 117.074 3.835 19637 7056 1 9 . 1 1 128 128 SER C C 128 172.038 172.038 173.405 -1.367 19637 7057 1 9 . 1 1 128 128 SER CA C 128 57.120 57.120 58.571 -1.451 19637 7058 1 9 . 1 1 128 128 SER CB C 128 64.353 64.353 63.492 0.861 19637 7059 1 9 . 1 1 128 128 SER H H 128 9.499 9.499 8.171 1.328 19637 7060 1 9 . 1 1 129 129 LEU N N 129 122.260 122.260 127.105 -4.845 19637 7061 1 9 . 1 1 129 129 LEU C C 129 176.411 176.411 174.857 1.554 19637 7062 1 9 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.415 -1.576 19637 7063 1 9 . 1 1 129 129 LEU CB C 129 42.539 42.539 45.462 -2.923 19637 7064 1 9 . 1 1 129 129 LEU H H 129 8.182 8.182 8.418 -0.236 19637 7065 1 9 . 1 1 130 130 LYS N N 130 122.490 122.490 124.261 -1.771 19637 7066 1 9 . 1 1 130 130 LYS C C 130 176.754 176.754 174.747 2.007 19637 7067 1 9 . 1 1 130 130 LYS CA C 130 55.042 55.042 53.595 1.447 19637 7068 1 9 . 1 1 130 130 LYS CB C 130 32.518 32.518 34.775 -2.257 19637 7069 1 9 . 1 1 130 130 LYS H H 130 7.536 7.536 8.265 -0.729 19637 7070 1 9 . 1 1 131 131 ASP N N 131 123.217 123.217 119.123 4.094 19637 7071 1 9 . 1 1 131 131 ASP C C 131 175.998 175.998 176.348 -0.350 19637 7072 1 9 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.870 -0.410 19637 7073 1 9 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.989 -0.756 19637 7074 1 9 . 1 1 131 131 ASP H H 131 8.782 8.782 8.454 0.328 19637 7075 1 9 . 1 1 132 132 SER N N 132 115.445 115.445 116.872 -1.427 19637 7076 1 9 . 1 1 132 132 SER C C 132 171.920 171.920 173.705 -1.785 19637 7077 1 9 . 1 1 132 132 SER CA C 132 55.790 55.790 57.458 -1.668 19637 7078 1 9 . 1 1 132 132 SER CB C 132 64.087 64.087 63.107 0.980 19637 7079 1 9 . 1 1 132 132 SER H H 132 9.016 9.016 8.376 0.640 19637 7080 1 9 . 1 1 133 133 TRP N N 133 124.389 124.389 125.411 -1.022 19637 7081 1 9 . 1 1 133 133 TRP C C 133 178.243 178.243 174.981 3.262 19637 7082 1 9 . 1 1 133 133 TRP CA C 133 55.309 55.309 53.306 2.002 19637 7083 1 9 . 1 1 133 133 TRP CB C 133 31.401 31.401 29.852 1.549 19637 7084 1 9 . 1 1 133 133 TRP H H 133 7.896 7.896 7.489 0.407 19637 7085 1 9 . 1 1 134 134 GLY N N 134 107.658 107.658 110.096 -2.438 19637 7086 1 9 . 1 1 134 134 GLY C C 134 171.123 171.123 171.891 -0.768 19637 7087 1 9 . 1 1 134 134 GLY CA C 134 44.750 44.750 45.420 -0.670 19637 7088 1 9 . 1 1 134 134 GLY H H 134 8.896 8.896 8.225 0.671 19637 7089 1 9 . 1 1 135 135 ALA N N 135 122.244 122.244 120.411 1.833 19637 7090 1 9 . 1 1 135 135 ALA C C 135 174.875 174.875 175.477 -0.602 19637 7091 1 9 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.571 0.570 19637 7092 1 9 . 1 1 135 135 ALA CB C 135 19.306 19.306 21.759 -2.453 19637 7093 1 9 . 1 1 135 135 ALA H H 135 8.946 8.946 8.320 0.626 19637 7094 1 9 . 1 1 136 136 ALA N N 136 118.579 118.579 119.474 -0.895 19637 7095 1 9 . 1 1 136 136 ALA C C 136 175.434 175.434 176.260 -0.826 19637 7096 1 9 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.729 -1.235 19637 7097 1 9 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.781 1.426 19637 7098 1 9 . 1 1 136 136 ALA H H 136 8.111 8.111 8.270 -0.159 19637 7099 1 9 . 1 1 137 137 GLY N N 137 105.005 105.005 107.285 -2.280 19637 7100 1 9 . 1 1 137 137 GLY C C 137 171.300 171.300 174.088 -2.788 19637 7101 1 9 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.333 -1.151 19637 7102 1 9 . 1 1 137 137 GLY H H 137 8.933 8.933 8.447 0.486 19637 7103 1 9 . 1 1 138 138 GLN N N 138 115.695 115.695 125.417 -9.722 19637 7104 1 9 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.099 -1.836 19637 7105 1 9 . 1 1 138 138 GLN H H 138 8.559 8.559 8.161 0.398 19637 7106 1 9 . 1 1 140 140 GLY N N 140 110.307 110.307 111.178 -0.871 19637 7107 1 9 . 1 1 140 140 GLY C C 140 171.329 171.329 172.216 -0.887 19637 7108 1 9 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.191 1.426 19637 7109 1 9 . 1 1 140 140 GLY H H 140 7.936 7.936 8.351 -0.415 19637 7110 1 9 . 1 1 141 141 VAL N N 141 112.233 112.233 117.604 -5.371 19637 7111 1 9 . 1 1 141 141 VAL C C 141 171.979 171.979 173.876 -1.897 19637 7112 1 9 . 1 1 141 141 VAL CA C 141 59.914 59.914 61.367 -1.453 19637 7113 1 9 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.642 -1.705 19637 7114 1 9 . 1 1 141 141 VAL H H 141 8.646 8.646 8.200 0.446 19637 7115 1 9 . 1 1 142 142 ASP N N 142 122.520 122.520 126.936 -4.416 19637 7116 1 9 . 1 1 142 142 ASP C C 142 175.259 175.259 174.358 0.901 19637 7117 1 9 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.576 -0.865 19637 7118 1 9 . 1 1 142 142 ASP CB C 142 43.780 43.780 43.925 -0.145 19637 7119 1 9 . 1 1 142 142 ASP H H 142 7.402 7.402 8.605 -1.203 19637 7120 1 9 . 1 1 143 143 TYR N N 143 122.331 122.331 127.093 -4.762 19637 7121 1 9 . 1 1 143 143 TYR C C 143 173.870 173.870 173.369 0.501 19637 7122 1 9 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.273 -1.325 19637 7123 1 9 . 1 1 143 143 TYR CB C 143 40.765 40.765 42.434 -1.669 19637 7124 1 9 . 1 1 143 143 TYR H H 143 9.396 9.396 9.114 0.282 19637 7125 1 9 . 1 1 144 144 LEU N N 144 130.341 130.341 127.402 2.939 19637 7126 1 9 . 1 1 144 144 LEU C C 144 174.786 174.786 175.058 -0.272 19637 7127 1 9 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.864 0.660 19637 7128 1 9 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.758 -2.081 19637 7129 1 9 . 1 1 144 144 LEU H H 144 8.313 8.313 8.502 -0.189 19637 7130 1 9 . 1 1 145 145 ILE N N 145 124.602 124.602 126.570 -1.968 19637 7131 1 9 . 1 1 145 145 ILE C C 145 177.593 177.593 175.048 2.545 19637 7132 1 9 . 1 1 145 145 ILE CA C 145 60.097 60.097 60.722 -0.625 19637 7133 1 9 . 1 1 145 145 ILE CB C 145 36.864 36.864 39.938 -3.074 19637 7134 1 9 . 1 1 145 145 ILE H H 145 8.809 8.809 8.102 0.707 19637 7135 1 9 . 1 1 146 146 ASN N N 146 118.348 118.348 117.007 1.341 19637 7136 1 9 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.146 -0.828 19637 7137 1 9 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.643 -3.691 19637 7138 1 9 . 1 1 146 146 ASN H H 146 8.362 8.362 8.213 0.149 19637 7139 1 9 . 1 1 147 147 ARG N N 147 113.940 113.940 119.615 -5.675 19637 7140 1 9 . 1 1 147 147 ARG C C 147 176.470 176.470 176.199 0.271 19637 7141 1 9 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.217 0.367 19637 7142 1 9 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.596 -1.891 19637 7143 1 9 . 1 1 147 147 ARG H H 147 8.072 8.072 8.657 -0.585 19637 7144 1 9 . 1 1 148 148 ASP N N 148 112.938 112.938 117.116 -4.178 19637 7145 1 9 . 1 1 148 148 ASP C C 148 174.373 174.373 174.147 0.226 19637 7146 1 9 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.783 0.544 19637 7147 1 9 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.026 0.602 19637 7148 1 9 . 1 1 148 148 ASP H H 148 7.668 7.668 8.600 -0.932 19637 7149 1 9 . 1 1 149 149 TRP N N 149 116.148 116.148 118.751 -2.603 19637 7150 1 9 . 1 1 149 149 TRP C C 149 175.574 175.574 174.381 1.193 19637 7151 1 9 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.939 -0.453 19637 7152 1 9 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.292 0.428 19637 7153 1 9 . 1 1 149 149 TRP H H 149 7.788 7.788 7.536 0.252 19637 7154 1 9 . 1 1 150 150 LEU N N 150 118.106 118.106 120.047 -1.941 19637 7155 1 9 . 1 1 150 150 LEU C C 150 175.141 175.141 175.987 -0.846 19637 7156 1 9 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.024 -0.869 19637 7157 1 9 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.207 -0.806 19637 7158 1 9 . 1 1 150 150 LEU H H 150 9.306 9.306 8.609 0.697 19637 7159 1 9 . 1 1 151 151 VAL N N 151 115.211 115.211 117.871 -2.660 19637 7160 1 9 . 1 1 151 151 VAL C C 151 173.524 173.524 173.692 -0.168 19637 7161 1 9 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.663 -2.364 19637 7162 1 9 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.517 -0.668 19637 7163 1 9 . 1 1 151 151 VAL H H 151 9.293 9.293 8.513 0.780 19637 7164 1 9 . 1 1 152 152 ASN N N 152 124.526 124.526 125.826 -1.300 19637 7165 1 9 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.122 0.633 19637 7166 1 9 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.142 0.485 19637 7167 1 9 . 1 1 152 152 ASN H H 152 8.893 8.893 8.874 0.019 19637 7168 1 9 . 1 1 153 153 MET N N 153 118.533 118.533 121.764 -3.231 19637 7169 1 9 . 1 1 153 153 MET C C 153 173.987 173.987 174.449 -0.462 19637 7170 1 9 . 1 1 153 153 MET CA C 153 54.017 54.017 53.906 0.111 19637 7171 1 9 . 1 1 153 153 MET CB C 153 36.243 36.243 36.385 -0.142 19637 7172 1 9 . 1 1 153 153 MET H H 153 8.003 8.003 8.690 -0.687 19637 7173 1 9 . 1 1 154 154 SER N N 154 113.225 113.225 119.519 -6.294 19637 7174 1 9 . 1 1 154 154 SER C C 154 172.120 172.120 174.003 -1.883 19637 7175 1 9 . 1 1 154 154 SER CA C 154 56.550 56.550 57.287 -0.737 19637 7176 1 9 . 1 1 154 154 SER CB C 154 64.619 64.619 64.433 0.186 19637 7177 1 9 . 1 1 154 154 SER H H 154 9.191 9.191 8.557 0.634 19637 7178 1 9 . 1 1 155 155 VAL N N 155 119.543 119.543 114.844 4.699 19637 7179 1 9 . 1 1 155 155 VAL C C 155 173.973 173.973 174.704 -0.731 19637 7180 1 9 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.582 -1.200 19637 7181 1 9 . 1 1 155 155 VAL H H 155 9.190 9.190 8.014 1.176 19637 7182 1 9 . 1 1 156 156 TRP N N 156 124.596 124.596 118.420 6.176 19637 7183 1 9 . 1 1 156 156 TRP C C 156 175.237 175.237 174.679 0.558 19637 7184 1 9 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.192 -1.929 19637 7185 1 9 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.958 2.270 19637 7186 1 9 . 1 1 156 156 TRP H H 156 9.883 9.883 7.243 2.640 19637 7187 1 9 . 1 1 160 160 ILE N N 160 123.211 123.211 114.807 8.404 19637 7188 1 9 . 1 1 160 160 ILE C C 160 173.545 173.545 175.389 -1.844 19637 7189 1 9 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.430 0.839 19637 7190 1 9 . 1 1 160 160 ILE H H 160 7.948 7.948 8.263 -0.315 19637 7191 1 9 . 1 1 161 161 ASP N N 161 128.357 128.357 123.258 5.099 19637 7192 1 9 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.690 -1.269 19637 7193 1 9 . 1 1 161 161 ASP CB C 161 41.830 41.830 42.130 -0.300 19637 7194 1 9 . 1 1 161 161 ASP H H 161 8.302 8.302 8.412 -0.110 19637 7195 1 9 . 1 1 162 162 THR N N 162 117.472 117.472 117.012 0.460 19637 7196 1 9 . 1 1 162 162 THR CA C 162 57.259 57.259 61.128 -3.869 19637 7197 1 9 . 1 1 162 162 THR CB C 162 68.167 68.167 72.573 -4.405 19637 7198 1 9 . 1 1 162 162 THR H H 162 8.788 8.788 8.338 0.450 19637 7199 1 9 . 1 1 163 163 THR N N 163 120.189 120.189 122.403 -2.214 19637 7200 1 9 . 1 1 163 163 THR CA C 163 60.629 60.629 64.002 -3.373 19637 7201 1 9 . 1 1 163 163 THR CB C 163 68.278 68.278 68.365 -0.087 19637 7202 1 9 . 1 1 163 163 THR H H 163 8.429 8.429 8.853 -0.424 19637 7203 1 9 . 1 1 164 164 ALA N N 164 127.991 127.991 130.047 -2.056 19637 7204 1 9 . 1 1 164 164 ALA C C 164 174.993 174.993 175.469 -0.476 19637 7205 1 9 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.473 -1.283 19637 7206 1 9 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.750 -3.799 19637 7207 1 9 . 1 1 164 164 ALA H H 164 9.428 9.428 9.040 0.388 19637 7208 1 9 . 1 1 165 165 ASN N N 165 122.214 122.214 119.388 2.826 19637 7209 1 9 . 1 1 165 165 ASN C C 165 173.047 173.047 172.802 0.245 19637 7210 1 9 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.464 -2.323 19637 7211 1 9 . 1 1 165 165 ASN CB C 165 40.056 40.056 42.679 -2.623 19637 7212 1 9 . 1 1 165 165 ASN H H 165 9.216 9.216 8.862 0.354 19637 7213 1 9 . 1 1 166 166 TYR N N 166 116.330 116.330 116.900 -0.570 19637 7214 1 9 . 1 1 166 166 TYR C C 166 172.260 172.260 174.072 -1.812 19637 7215 1 9 . 1 1 166 166 TYR CA C 166 55.397 55.397 54.803 0.594 19637 7216 1 9 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.973 -3.311 19637 7217 1 9 . 1 1 166 166 TYR H H 166 7.816 7.816 8.186 -0.370 19637 7218 1 9 . 1 1 167 167 LYS N N 167 117.734 117.734 121.709 -3.975 19637 7219 1 9 . 1 1 167 167 LYS C C 167 174.760 174.760 174.809 -0.049 19637 7220 1 9 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.077 -1.326 19637 7221 1 9 . 1 1 167 167 LYS CB C 167 34.381 34.381 35.592 -1.211 19637 7222 1 9 . 1 1 167 167 LYS H H 167 9.100 9.100 8.932 0.168 19637 7223 1 9 . 1 1 168 168 LEU N N 168 121.623 121.623 129.419 -7.796 19637 7224 1 9 . 1 1 168 168 LEU C C 168 177.877 177.877 176.863 1.014 19637 7225 1 9 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.559 -2.050 19637 7226 1 9 . 1 1 168 168 LEU CB C 168 42.894 42.894 41.698 1.196 19637 7227 1 9 . 1 1 168 168 LEU H H 168 8.372 8.372 8.885 -0.513 19637 7228 1 9 . 1 1 169 169 GLY N N 169 119.264 119.264 112.418 6.846 19637 7229 1 9 . 1 1 169 169 GLY C C 169 175.602 175.602 174.803 0.799 19637 7230 1 9 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.986 1.271 19637 7231 1 9 . 1 1 169 169 GLY H H 169 9.603 9.603 8.707 0.896 19637 7232 1 9 . 1 1 170 170 GLY N N 170 104.659 104.659 106.250 -1.591 19637 7233 1 9 . 1 1 170 170 GLY C C 170 172.570 172.570 173.503 -0.933 19637 7234 1 9 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.201 -1.161 19637 7235 1 9 . 1 1 170 170 GLY H H 170 8.381 8.381 8.382 -0.001 19637 7236 1 9 . 1 1 171 171 ALA N N 171 123.570 123.570 121.951 1.619 19637 7237 1 9 . 1 1 171 171 ALA C C 171 177.569 177.569 176.251 1.318 19637 7238 1 9 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.757 -0.863 19637 7239 1 9 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.949 -1.619 19637 7240 1 9 . 1 1 171 171 ALA H H 171 7.650 7.650 7.893 -0.243 19637 7241 1 9 . 1 1 172 172 GLN N N 172 124.057 124.057 124.410 -0.353 19637 7242 1 9 . 1 1 172 172 GLN C C 172 174.869 174.869 176.109 -1.240 19637 7243 1 9 . 1 1 172 172 GLN CA C 172 56.018 56.018 54.947 1.071 19637 7244 1 9 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.782 0.391 19637 7245 1 9 . 1 1 172 172 GLN H H 172 8.840 8.840 8.570 0.270 19637 7246 1 9 . 1 1 173 173 GLN N N 173 124.328 124.328 124.563 -0.235 19637 7247 1 9 . 1 1 173 173 GLN C C 173 174.953 174.953 175.179 -0.226 19637 7248 1 9 . 1 1 173 173 GLN CA C 173 52.155 52.155 56.161 -4.006 19637 7249 1 9 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.143 -0.728 19637 7250 1 9 . 1 1 173 173 GLN H H 173 9.023 9.023 7.895 1.128 19637 7251 1 9 . 1 1 174 174 HIS N N 174 115.629 115.629 113.655 1.974 19637 7252 1 9 . 1 1 174 174 HIS C C 174 173.103 173.103 173.242 -0.139 19637 7253 1 9 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.852 -1.406 19637 7254 1 9 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.838 -1.157 19637 7255 1 9 . 1 1 174 174 HIS H H 174 8.227 8.227 7.761 0.466 19637 7256 1 9 . 1 1 175 175 ASP N N 175 120.615 120.615 122.707 -2.092 19637 7257 1 9 . 1 1 175 175 ASP C C 175 175.013 175.013 174.645 0.368 19637 7258 1 9 . 1 1 175 175 ASP CA C 175 52.731 52.731 52.940 -0.208 19637 7259 1 9 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.708 0.403 19637 7260 1 9 . 1 1 175 175 ASP H H 175 8.964 8.964 8.302 0.662 19637 7261 1 9 . 1 1 176 176 SER N N 176 118.175 118.175 115.491 2.684 19637 7262 1 9 . 1 1 176 176 SER C C 176 173.496 173.496 175.290 -1.794 19637 7263 1 9 . 1 1 176 176 SER CA C 176 57.697 57.697 58.059 -0.362 19637 7264 1 9 . 1 1 176 176 SER CB C 176 62.757 62.757 63.785 -1.028 19637 7265 1 9 . 1 1 176 176 SER H H 176 9.137 9.137 8.398 0.739 19637 7266 1 9 . 1 1 177 177 VAL N N 177 123.737 123.737 121.172 2.565 19637 7267 1 9 . 1 1 177 177 VAL C C 177 173.398 173.398 174.922 -1.524 19637 7268 1 9 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.996 -2.719 19637 7269 1 9 . 1 1 177 177 VAL CB C 177 32.518 32.518 30.936 1.582 19637 7270 1 9 . 1 1 177 177 VAL H H 177 8.492 8.492 8.139 0.353 19637 7271 1 9 . 1 1 178 178 ARG N N 178 127.628 127.628 124.413 3.215 19637 7272 1 9 . 1 1 178 178 ARG C C 178 175.097 175.097 173.915 1.182 19637 7273 1 9 . 1 1 178 178 ARG CA C 178 54.017 54.017 53.579 0.438 19637 7274 1 9 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.346 -3.197 19637 7275 1 9 . 1 1 178 178 ARG H H 178 8.513 8.513 7.543 0.970 19637 7276 1 9 . 1 1 182 182 TRP N N 182 115.616 115.616 116.508 -0.892 19637 7277 1 9 . 1 1 182 182 TRP C C 182 176.613 176.613 175.123 1.490 19637 7278 1 9 . 1 1 182 182 TRP CA C 182 55.228 55.228 54.122 1.106 19637 7279 1 9 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.156 1.653 19637 7280 1 9 . 1 1 182 182 TRP H H 182 7.491 7.491 7.538 -0.047 19637 7281 1 9 . 1 1 183 183 VAL N N 183 121.618 121.618 121.348 0.270 19637 7282 1 9 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.839 -2.211 19637 7283 1 9 . 1 1 183 183 VAL CB C 183 32.696 32.696 33.950 -1.254 19637 7284 1 9 . 1 1 183 183 VAL H H 183 9.372 9.372 8.645 0.727 19637 7285 1 9 . 1 1 185 185 MET N N 185 129.032 129.032 122.970 6.062 19637 7286 1 9 . 1 1 185 185 MET C C 185 172.186 172.186 174.305 -2.119 19637 7287 1 9 . 1 1 185 185 MET CA C 185 53.091 53.091 54.340 -1.249 19637 7288 1 9 . 1 1 185 185 MET CB C 185 33.405 33.405 35.619 -2.214 19637 7289 1 9 . 1 1 185 185 MET H H 185 9.615 9.615 8.635 0.980 19637 7290 1 9 . 1 1 186 186 PHE N N 186 124.085 124.085 128.079 -3.994 19637 7291 1 9 . 1 1 186 186 PHE C C 186 174.816 174.816 173.446 1.370 19637 7292 1 9 . 1 1 186 186 PHE CA C 186 55.131 55.131 57.248 -2.117 19637 7293 1 9 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.120 -1.532 19637 7294 1 9 . 1 1 186 186 PHE H H 186 7.976 7.976 8.621 -0.645 19637 7295 1 9 . 1 1 187 187 SER N N 187 116.369 116.369 120.762 -4.393 19637 7296 1 9 . 1 1 187 187 SER C C 187 171.305 171.305 172.704 -1.399 19637 7297 1 9 . 1 1 187 187 SER CA C 187 57.348 57.348 56.640 0.708 19637 7298 1 9 . 1 1 187 187 SER CB C 187 66.127 66.127 66.811 -0.684 19637 7299 1 9 . 1 1 187 187 SER H H 187 9.355 9.355 8.529 0.826 19637 7300 1 9 . 1 1 188 188 ALA N N 188 119.248 119.248 123.219 -3.971 19637 7301 1 9 . 1 1 188 188 ALA C C 188 175.996 175.996 176.997 -1.001 19637 7302 1 9 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.275 -2.190 19637 7303 1 9 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.717 0.362 19637 7304 1 9 . 1 1 188 188 ALA H H 188 8.300 8.300 8.471 -0.171 19637 7305 1 9 . 1 1 189 189 GLY N N 189 104.914 104.914 104.038 0.876 19637 7306 1 9 . 1 1 189 189 GLY C C 189 170.650 170.650 172.039 -1.389 19637 7307 1 9 . 1 1 189 189 GLY CA C 189 44.046 44.046 43.911 0.135 19637 7308 1 9 . 1 1 189 189 GLY H H 189 9.235 9.235 7.617 1.618 19637 7309 1 9 . 1 1 190 190 TYR N N 190 121.149 121.149 118.408 2.741 19637 7310 1 9 . 1 1 190 190 TYR C C 190 173.608 173.608 174.993 -1.385 19637 7311 1 9 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.337 -1.206 19637 7312 1 9 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.201 -0.839 19637 7313 1 9 . 1 1 190 190 TYR H H 190 8.865 8.865 8.659 0.206 19637 7314 1 9 . 1 1 191 191 ARG N N 191 125.697 125.697 121.752 3.945 19637 7315 1 9 . 1 1 191 191 ARG CA C 191 53.529 53.529 57.095 -3.566 19637 7316 1 9 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.156 -0.209 19637 7317 1 9 . 1 1 191 191 ARG H H 191 7.469 7.469 8.676 -1.207 19637 7318 1 10 . 1 1 2 2 HIS N N 2 119.214 119.214 116.373 2.841 19637 7319 1 10 . 1 1 2 2 HIS C C 2 171.081 171.081 172.802 -1.721 19637 7320 1 10 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.899 -3.611 19637 7321 1 10 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.786 -7.490 19637 7322 1 10 . 1 1 2 2 HIS H H 2 8.422 8.422 7.781 0.641 19637 7323 1 10 . 1 1 3 3 GLU N N 3 113.500 113.500 121.108 -7.608 19637 7324 1 10 . 1 1 3 3 GLU C C 3 174.619 174.619 174.017 0.602 19637 7325 1 10 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.165 -1.503 19637 7326 1 10 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.275 -1.860 19637 7327 1 10 . 1 1 3 3 GLU H H 3 6.642 6.642 8.144 -1.502 19637 7328 1 10 . 1 1 4 4 ALA N N 4 120.680 120.680 121.653 -0.973 19637 7329 1 10 . 1 1 4 4 ALA C C 4 178.439 178.439 179.024 -0.585 19637 7330 1 10 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.564 -1.188 19637 7331 1 10 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.835 -1.392 19637 7332 1 10 . 1 1 4 4 ALA H H 4 8.701 8.701 8.180 0.521 19637 7333 1 10 . 1 1 5 5 GLY N N 5 112.786 112.786 108.317 4.469 19637 7334 1 10 . 1 1 5 5 GLY C C 5 173.309 173.309 173.581 -0.272 19637 7335 1 10 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.629 -2.075 19637 7336 1 10 . 1 1 5 5 GLY H H 5 9.294 9.294 8.637 0.657 19637 7337 1 10 . 1 1 6 6 GLU N N 6 121.755 121.755 118.819 2.936 19637 7338 1 10 . 1 1 6 6 GLU C C 6 173.693 173.693 174.230 -0.537 19637 7339 1 10 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.379 0.639 19637 7340 1 10 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.281 -0.093 19637 7341 1 10 . 1 1 6 6 GLU H H 6 7.955 7.955 7.892 0.063 19637 7342 1 10 . 1 1 7 7 PHE N N 7 124.802 124.802 120.951 3.851 19637 7343 1 10 . 1 1 7 7 PHE C C 7 174.039 174.039 172.664 1.375 19637 7344 1 10 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.485 -2.152 19637 7345 1 10 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.577 0.164 19637 7346 1 10 . 1 1 7 7 PHE H H 7 8.648 8.648 7.679 0.969 19637 7347 1 10 . 1 1 8 8 PHE N N 8 121.132 121.132 115.476 5.656 19637 7348 1 10 . 1 1 8 8 PHE C C 8 171.861 171.861 174.233 -2.372 19637 7349 1 10 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.643 -2.094 19637 7350 1 10 . 1 1 8 8 PHE CB C 8 40.677 40.677 41.972 -1.295 19637 7351 1 10 . 1 1 8 8 PHE H H 8 8.574 8.574 8.085 0.489 19637 7352 1 10 . 1 1 9 9 MET N N 9 120.391 120.391 117.538 2.853 19637 7353 1 10 . 1 1 9 9 MET C C 9 174.166 174.166 174.465 -0.299 19637 7354 1 10 . 1 1 9 9 MET CA C 9 52.199 52.199 54.932 -2.733 19637 7355 1 10 . 1 1 9 9 MET CB C 9 37.307 37.307 35.805 1.502 19637 7356 1 10 . 1 1 9 9 MET H H 9 8.541 8.541 9.101 -0.560 19637 7357 1 10 . 1 1 10 10 ARG N N 10 117.892 117.892 118.749 -0.857 19637 7358 1 10 . 1 1 10 10 ARG C C 10 175.289 175.289 174.824 0.465 19637 7359 1 10 . 1 1 10 10 ARG CA C 10 53.446 53.446 53.803 -0.357 19637 7360 1 10 . 1 1 10 10 ARG CB C 10 31.366 31.366 33.163 -1.797 19637 7361 1 10 . 1 1 10 10 ARG H H 10 8.357 8.357 8.659 -0.302 19637 7362 1 10 . 1 1 11 11 ALA N N 11 119.664 119.664 120.992 -1.328 19637 7363 1 10 . 1 1 11 11 ALA C C 11 176.057 176.057 177.594 -1.537 19637 7364 1 10 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.793 -1.161 19637 7365 1 10 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.982 1.536 19637 7366 1 10 . 1 1 11 11 ALA H H 11 9.154 9.154 8.128 1.026 19637 7367 1 10 . 1 1 12 12 GLY N N 12 106.262 106.262 107.340 -1.078 19637 7368 1 10 . 1 1 12 12 GLY C C 12 172.068 172.068 173.588 -1.520 19637 7369 1 10 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.969 0.180 19637 7370 1 10 . 1 1 12 12 GLY H H 12 8.655 8.655 8.136 0.519 19637 7371 1 10 . 1 1 13 13 SER N N 13 116.893 116.893 121.498 -4.605 19637 7372 1 10 . 1 1 13 13 SER C C 13 173.604 173.604 172.916 0.688 19637 7373 1 10 . 1 1 13 13 SER CA C 13 56.367 56.367 56.545 -0.178 19637 7374 1 10 . 1 1 13 13 SER CB C 13 64.087 64.087 62.751 1.336 19637 7375 1 10 . 1 1 13 13 SER H H 13 8.644 8.644 7.823 0.821 19637 7376 1 10 . 1 1 14 14 ALA N N 14 125.234 125.234 128.954 -3.720 19637 7377 1 10 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.159 -0.532 19637 7378 1 10 . 1 1 14 14 ALA CB C 14 18.330 18.330 20.311 -1.981 19637 7379 1 10 . 1 1 14 14 ALA H H 14 9.120 9.120 7.705 1.415 19637 7380 1 10 . 1 1 15 15 THR N N 15 121.303 121.303 121.504 -0.201 19637 7381 1 10 . 1 1 15 15 THR C C 15 175.230 175.230 174.361 0.869 19637 7382 1 10 . 1 1 15 15 THR CA C 15 60.895 60.895 61.990 -1.095 19637 7383 1 10 . 1 1 15 15 THR CB C 15 70.029 70.029 69.775 0.254 19637 7384 1 10 . 1 1 15 15 THR H H 15 9.351 9.351 8.527 0.824 19637 7385 1 10 . 1 1 16 16 VAL N N 16 126.781 126.781 126.883 -0.102 19637 7386 1 10 . 1 1 16 16 VAL C C 16 174.432 174.432 176.133 -1.701 19637 7387 1 10 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.649 -1.843 19637 7388 1 10 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.374 -1.452 19637 7389 1 10 . 1 1 16 16 VAL H H 16 9.110 9.110 8.606 0.504 19637 7390 1 10 . 1 1 17 17 ARG N N 17 129.806 129.806 128.775 1.031 19637 7391 1 10 . 1 1 17 17 ARG C C 17 173.440 173.440 174.706 -1.266 19637 7392 1 10 . 1 1 17 17 ARG CA C 17 51.407 51.407 54.420 -3.013 19637 7393 1 10 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.050 0.252 19637 7394 1 10 . 1 1 17 17 ARG H H 17 9.325 9.325 8.585 0.740 19637 7395 1 10 . 1 1 19 19 THR N N 19 114.402 114.402 110.607 3.795 19637 7396 1 10 . 1 1 19 19 THR CA C 19 61.022 61.022 60.040 0.982 19637 7397 1 10 . 1 1 19 19 THR CB C 19 69.142 69.142 70.931 -1.789 19637 7398 1 10 . 1 1 19 19 THR H H 19 8.021 8.021 8.034 -0.013 19637 7399 1 10 . 1 1 20 20 GLU N N 20 123.598 123.598 120.671 2.927 19637 7400 1 10 . 1 1 20 20 GLU C C 20 177.007 177.007 176.453 0.554 19637 7401 1 10 . 1 1 20 20 GLU CA C 20 55.480 55.480 57.250 -1.770 19637 7402 1 10 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.504 -0.710 19637 7403 1 10 . 1 1 20 20 GLU H H 20 8.601 8.601 8.478 0.123 19637 7404 1 10 . 1 1 21 21 GLY N N 21 110.237 110.237 111.452 -1.215 19637 7405 1 10 . 1 1 21 21 GLY C C 21 174.077 174.077 172.868 1.209 19637 7406 1 10 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.651 0.010 19637 7407 1 10 . 1 1 21 21 GLY H H 21 8.530 8.530 8.374 0.156 19637 7408 1 10 . 1 1 22 22 ALA N N 22 123.476 123.476 125.123 -1.647 19637 7409 1 10 . 1 1 22 22 ALA C C 22 178.158 178.158 176.088 2.070 19637 7410 1 10 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.725 -0.970 19637 7411 1 10 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.916 -2.138 19637 7412 1 10 . 1 1 22 22 ALA H H 22 8.279 8.279 8.175 0.104 19637 7413 1 10 . 1 1 23 23 GLY N N 23 107.265 107.265 110.940 -3.675 19637 7414 1 10 . 1 1 23 23 GLY C C 23 174.727 174.727 174.981 -0.254 19637 7415 1 10 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.717 -1.276 19637 7416 1 10 . 1 1 23 23 GLY H H 23 8.452 8.452 8.338 0.114 19637 7417 1 10 . 1 1 24 24 GLY N N 24 108.306 108.306 112.221 -3.915 19637 7418 1 10 . 1 1 24 24 GLY C C 24 174.786 174.786 173.648 1.138 19637 7419 1 10 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.845 -0.405 19637 7420 1 10 . 1 1 24 24 GLY H H 24 8.221 8.221 8.158 0.063 19637 7421 1 10 . 1 1 25 25 THR N N 25 114.381 114.381 113.765 0.616 19637 7422 1 10 . 1 1 25 25 THR C C 25 175.170 175.170 173.889 1.281 19637 7423 1 10 . 1 1 25 25 THR CA C 25 61.599 61.599 62.194 -0.595 19637 7424 1 10 . 1 1 25 25 THR CB C 25 68.521 68.521 70.144 -1.623 19637 7425 1 10 . 1 1 25 25 THR H H 25 8.213 8.213 8.141 0.072 19637 7426 1 10 . 1 1 26 26 LEU N N 26 123.038 123.038 121.868 1.170 19637 7427 1 10 . 1 1 26 26 LEU C C 26 177.918 177.918 175.672 2.246 19637 7428 1 10 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.241 -0.559 19637 7429 1 10 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.126 -0.981 19637 7430 1 10 . 1 1 26 26 LEU H H 26 8.425 8.425 7.967 0.458 19637 7431 1 10 . 1 1 27 27 GLY N N 27 108.786 108.786 105.032 3.754 19637 7432 1 10 . 1 1 27 27 GLY C C 27 175.023 175.023 173.287 1.736 19637 7433 1 10 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.188 0.652 19637 7434 1 10 . 1 1 27 27 GLY H H 27 8.260 8.260 7.691 0.569 19637 7435 1 10 . 1 1 28 28 SER N N 28 116.175 116.175 116.774 -0.599 19637 7436 1 10 . 1 1 28 28 SER CA C 28 58.140 58.140 57.833 0.307 19637 7437 1 10 . 1 1 28 28 SER CB C 28 62.846 62.846 63.847 -1.001 19637 7438 1 10 . 1 1 28 28 SER H H 28 8.330 8.330 8.210 0.120 19637 7439 1 10 . 1 1 29 29 LEU N N 29 122.260 122.260 120.548 1.712 19637 7440 1 10 . 1 1 29 29 LEU C C 29 177.512 177.512 176.592 0.920 19637 7441 1 10 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.037 -0.621 19637 7442 1 10 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.053 -1.730 19637 7443 1 10 . 1 1 29 29 LEU H H 29 8.157 8.157 7.897 0.260 19637 7444 1 10 . 1 1 30 30 GLY N N 30 107.575 107.575 106.093 1.482 19637 7445 1 10 . 1 1 30 30 GLY C C 30 174.225 174.225 175.194 -0.969 19637 7446 1 10 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.607 -0.079 19637 7447 1 10 . 1 1 30 30 GLY H H 30 8.144 8.144 8.505 -0.361 19637 7448 1 10 . 1 1 31 31 GLY N N 31 107.996 107.996 106.766 1.230 19637 7449 1 10 . 1 1 31 31 GLY C C 31 173.664 173.664 173.694 -0.030 19637 7450 1 10 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.740 -0.522 19637 7451 1 10 . 1 1 31 31 GLY H H 31 8.044 8.044 8.193 -0.149 19637 7452 1 10 . 1 1 32 32 PHE N N 32 119.248 119.248 123.064 -3.816 19637 7453 1 10 . 1 1 32 32 PHE C C 32 175.495 175.495 175.080 0.415 19637 7454 1 10 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.983 -1.610 19637 7455 1 10 . 1 1 32 32 PHE CB C 32 39.258 39.258 39.779 -0.521 19637 7456 1 10 . 1 1 32 32 PHE H H 32 8.181 8.181 8.282 -0.101 19637 7457 1 10 . 1 1 33 33 SER N N 33 117.720 117.720 122.494 -4.774 19637 7458 1 10 . 1 1 33 33 SER C C 33 173.368 173.368 172.725 0.643 19637 7459 1 10 . 1 1 33 33 SER CA C 33 55.746 55.746 58.638 -2.892 19637 7460 1 10 . 1 1 33 33 SER CB C 33 64.265 64.265 63.921 0.344 19637 7461 1 10 . 1 1 33 33 SER H H 33 8.771 8.771 8.425 0.346 19637 7462 1 10 . 1 1 34 34 VAL N N 34 123.007 123.007 124.975 -1.968 19637 7463 1 10 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.362 -1.936 19637 7464 1 10 . 1 1 34 34 VAL CB C 34 32.785 32.785 32.852 -0.067 19637 7465 1 10 . 1 1 34 34 VAL H H 34 8.525 8.525 8.079 0.446 19637 7466 1 10 . 1 1 35 35 THR N N 35 115.459 115.459 122.626 -7.167 19637 7467 1 10 . 1 1 35 35 THR CA C 35 61.200 61.200 62.564 -1.364 19637 7468 1 10 . 1 1 35 35 THR CB C 35 69.851 69.851 69.739 0.112 19637 7469 1 10 . 1 1 35 35 THR H H 35 8.147 8.147 8.475 -0.328 19637 7470 1 10 . 1 1 36 36 ASN N N 36 118.274 118.274 121.605 -3.331 19637 7471 1 10 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.683 -1.276 19637 7472 1 10 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.047 -0.942 19637 7473 1 10 . 1 1 36 36 ASN H H 36 8.719 8.719 8.417 0.302 19637 7474 1 10 . 1 1 37 37 ASN N N 37 115.657 115.657 117.020 -1.363 19637 7475 1 10 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.329 2.536 19637 7476 1 10 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.067 4.245 19637 7477 1 10 . 1 1 37 37 ASN H H 37 8.432 8.432 8.165 0.267 19637 7478 1 10 . 1 1 38 38 THR N N 38 122.444 122.444 118.021 4.423 19637 7479 1 10 . 1 1 38 38 THR CA C 38 61.288 61.288 62.299 -1.011 19637 7480 1 10 . 1 1 38 38 THR CB C 38 69.142 69.142 68.141 1.001 19637 7481 1 10 . 1 1 38 38 THR H H 38 8.095 8.095 8.480 -0.386 19637 7482 1 10 . 1 1 40 40 LEU N N 40 120.457 120.457 120.530 -0.073 19637 7483 1 10 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.115 0.212 19637 7484 1 10 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.172 -0.954 19637 7485 1 10 . 1 1 40 40 LEU H H 40 6.902 6.902 7.496 -0.594 19637 7486 1 10 . 1 1 41 41 GLY N N 41 111.223 111.223 108.445 2.778 19637 7487 1 10 . 1 1 41 41 GLY C C 41 171.034 171.034 173.048 -2.014 19637 7488 1 10 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.287 -1.444 19637 7489 1 10 . 1 1 41 41 GLY H H 41 8.978 8.978 8.197 0.781 19637 7490 1 10 . 1 1 42 42 LEU N N 42 122.123 122.123 119.451 2.672 19637 7491 1 10 . 1 1 42 42 LEU C C 42 175.350 175.350 174.686 0.664 19637 7492 1 10 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.443 -2.288 19637 7493 1 10 . 1 1 42 42 LEU CB C 42 45.377 45.377 46.462 -1.085 19637 7494 1 10 . 1 1 42 42 LEU H H 42 8.679 8.679 8.519 0.160 19637 7495 1 10 . 1 1 43 43 THR N N 43 109.917 109.917 116.861 -6.944 19637 7496 1 10 . 1 1 43 43 THR C C 43 173.516 173.516 173.324 0.192 19637 7497 1 10 . 1 1 43 43 THR CA C 43 58.057 58.057 61.348 -3.291 19637 7498 1 10 . 1 1 43 43 THR CB C 43 70.029 70.029 71.484 -1.455 19637 7499 1 10 . 1 1 43 43 THR H H 43 8.792 8.792 8.905 -0.113 19637 7500 1 10 . 1 1 44 44 PHE N N 44 118.699 118.699 120.707 -2.008 19637 7501 1 10 . 1 1 44 44 PHE C C 44 173.917 173.917 172.934 0.983 19637 7502 1 10 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.905 -1.425 19637 7503 1 10 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.089 -0.324 19637 7504 1 10 . 1 1 44 44 PHE H H 44 8.566 8.566 8.691 -0.125 19637 7505 1 10 . 1 1 45 45 THR N N 45 118.229 118.229 118.161 0.068 19637 7506 1 10 . 1 1 45 45 THR C C 45 170.886 170.886 173.172 -2.286 19637 7507 1 10 . 1 1 45 45 THR CA C 45 60.097 60.097 59.326 0.771 19637 7508 1 10 . 1 1 45 45 THR CB C 45 68.433 68.433 70.521 -2.088 19637 7509 1 10 . 1 1 45 45 THR H H 45 7.903 7.903 8.315 -0.412 19637 7510 1 10 . 1 1 46 46 TYR N N 46 124.450 124.450 122.627 1.823 19637 7511 1 10 . 1 1 46 46 TYR C C 46 174.254 174.254 174.319 -0.065 19637 7512 1 10 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.499 -1.349 19637 7513 1 10 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.497 1.776 19637 7514 1 10 . 1 1 46 46 TYR H H 46 8.941 8.941 8.968 -0.027 19637 7515 1 10 . 1 1 47 47 MET N N 47 123.598 123.598 123.152 0.446 19637 7516 1 10 . 1 1 47 47 MET C C 47 175.082 175.082 175.958 -0.876 19637 7517 1 10 . 1 1 47 47 MET CA C 47 50.425 50.425 56.539 -6.114 19637 7518 1 10 . 1 1 47 47 MET CB C 47 26.222 26.222 32.279 -6.056 19637 7519 1 10 . 1 1 47 47 MET H H 47 7.798 7.798 8.952 -1.154 19637 7520 1 10 . 1 1 48 48 ALA N N 48 129.975 129.975 127.400 2.575 19637 7521 1 10 . 1 1 48 48 ALA C C 48 178.568 178.568 176.887 1.681 19637 7522 1 10 . 1 1 48 48 ALA CA C 48 53.305 53.305 52.531 0.775 19637 7523 1 10 . 1 1 48 48 ALA CB C 48 17.712 17.712 20.043 -2.331 19637 7524 1 10 . 1 1 48 48 ALA H H 48 8.717 8.717 8.745 -0.028 19637 7525 1 10 . 1 1 49 49 THR N N 49 106.011 106.011 112.527 -6.516 19637 7526 1 10 . 1 1 49 49 THR C C 49 171.950 171.950 172.625 -0.675 19637 7527 1 10 . 1 1 49 49 THR CA C 49 57.786 57.786 60.900 -3.114 19637 7528 1 10 . 1 1 49 49 THR CB C 49 70.535 70.535 69.335 1.200 19637 7529 1 10 . 1 1 49 49 THR H H 49 8.072 8.072 7.581 0.491 19637 7530 1 10 . 1 1 50 50 ASP N N 50 114.062 114.062 118.638 -4.576 19637 7531 1 10 . 1 1 50 50 ASP C C 50 175.318 175.318 175.222 0.096 19637 7532 1 10 . 1 1 50 50 ASP CA C 50 54.776 54.776 53.481 1.295 19637 7533 1 10 . 1 1 50 50 ASP CB C 50 39.790 39.790 39.044 0.747 19637 7534 1 10 . 1 1 50 50 ASP H H 50 8.390 8.390 8.412 -0.022 19637 7535 1 10 . 1 1 51 51 ASN N N 51 111.850 111.850 114.898 -3.048 19637 7536 1 10 . 1 1 51 51 ASN C C 51 171.684 171.684 173.461 -1.777 19637 7537 1 10 . 1 1 51 51 ASN CA C 51 54.416 54.416 53.980 0.436 19637 7538 1 10 . 1 1 51 51 ASN CB C 51 40.233 40.233 39.861 0.372 19637 7539 1 10 . 1 1 51 51 ASN H H 51 7.887 7.887 7.370 0.517 19637 7540 1 10 . 1 1 52 52 ILE N N 52 118.929 118.929 120.672 -1.743 19637 7541 1 10 . 1 1 52 52 ILE C C 52 175.495 175.495 175.455 0.040 19637 7542 1 10 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.571 0.077 19637 7543 1 10 . 1 1 52 52 ILE CB C 52 37.484 37.484 37.134 0.350 19637 7544 1 10 . 1 1 52 52 ILE H H 52 7.707 7.707 7.772 -0.065 19637 7545 1 10 . 1 1 53 53 GLY N N 53 114.998 114.998 114.193 0.805 19637 7546 1 10 . 1 1 53 53 GLY C C 53 171.536 171.536 172.054 -0.518 19637 7547 1 10 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.074 -1.142 19637 7548 1 10 . 1 1 53 53 GLY H H 53 8.678 8.678 8.786 -0.108 19637 7549 1 10 . 1 1 54 54 VAL N N 54 118.327 118.327 123.481 -5.154 19637 7550 1 10 . 1 1 54 54 VAL C C 54 173.309 173.309 174.239 -0.930 19637 7551 1 10 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.971 -1.323 19637 7552 1 10 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.082 -0.209 19637 7553 1 10 . 1 1 54 54 VAL H H 54 8.734 8.734 8.200 0.534 19637 7554 1 10 . 1 1 55 55 GLU N N 55 126.907 126.907 127.044 -0.137 19637 7555 1 10 . 1 1 55 55 GLU C C 55 173.575 173.575 174.226 -0.651 19637 7556 1 10 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.068 -0.799 19637 7557 1 10 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.003 2.724 19637 7558 1 10 . 1 1 55 55 GLU H H 55 9.084 9.084 8.965 0.119 19637 7559 1 10 . 1 1 56 56 LEU N N 56 126.739 126.739 124.648 2.091 19637 7560 1 10 . 1 1 56 56 LEU C C 56 174.786 174.786 174.584 0.202 19637 7561 1 10 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.421 -1.488 19637 7562 1 10 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.327 -0.305 19637 7563 1 10 . 1 1 56 56 LEU H H 56 9.168 9.168 8.309 0.859 19637 7564 1 10 . 1 1 57 57 LEU N N 57 127.189 127.189 125.287 1.902 19637 7565 1 10 . 1 1 57 57 LEU C C 57 174.579 174.579 174.822 -0.243 19637 7566 1 10 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.716 -0.625 19637 7567 1 10 . 1 1 57 57 LEU CB C 57 43.160 43.160 46.008 -2.848 19637 7568 1 10 . 1 1 57 57 LEU H H 57 9.174 9.174 8.230 0.944 19637 7569 1 10 . 1 1 58 58 ALA N N 58 125.061 125.061 125.134 -0.073 19637 7570 1 10 . 1 1 58 58 ALA C C 58 172.925 172.925 175.267 -2.342 19637 7571 1 10 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.903 -1.979 19637 7572 1 10 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.410 -1.331 19637 7573 1 10 . 1 1 58 58 ALA H H 58 9.435 9.435 8.548 0.887 19637 7574 1 10 . 1 1 59 59 ALA N N 59 116.911 116.911 124.774 -7.863 19637 7575 1 10 . 1 1 59 59 ALA C C 59 176.248 176.248 175.603 0.645 19637 7576 1 10 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.388 -2.317 19637 7577 1 10 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.315 -1.656 19637 7578 1 10 . 1 1 59 59 ALA H H 59 6.833 6.833 8.261 -1.428 19637 7579 1 10 . 1 1 60 60 THR N N 60 105.771 105.771 112.598 -6.827 19637 7580 1 10 . 1 1 60 60 THR C C 60 170.975 170.975 173.605 -2.630 19637 7581 1 10 . 1 1 60 60 THR CA C 60 59.515 59.515 59.917 -0.402 19637 7582 1 10 . 1 1 60 60 THR CB C 60 63.487 63.487 68.303 -4.816 19637 7583 1 10 . 1 1 60 60 THR H H 60 7.718 7.718 8.434 -0.716 19637 7584 1 10 . 1 1 62 62 PHE N N 62 122.473 122.473 117.859 4.614 19637 7585 1 10 . 1 1 62 62 PHE C C 62 174.934 174.934 174.764 0.170 19637 7586 1 10 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.287 -0.566 19637 7587 1 10 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.333 0.280 19637 7588 1 10 . 1 1 62 62 PHE H H 62 8.251 8.251 7.479 0.772 19637 7589 1 10 . 1 1 63 63 ARG N N 63 118.016 118.016 124.447 -6.431 19637 7590 1 10 . 1 1 63 63 ARG C C 63 174.423 174.423 176.727 -2.304 19637 7591 1 10 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.779 -2.131 19637 7592 1 10 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.496 -0.598 19637 7593 1 10 . 1 1 63 63 ARG H H 63 7.378 7.378 8.627 -1.249 19637 7594 1 10 . 1 1 64 64 HIS N N 64 120.040 120.040 120.027 0.013 19637 7595 1 10 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.124 -3.171 19637 7596 1 10 . 1 1 64 64 HIS H H 64 8.588 8.588 8.762 -0.174 19637 7597 1 10 . 1 1 66 66 ILE N N 66 122.668 122.668 119.018 3.650 19637 7598 1 10 . 1 1 66 66 ILE C C 66 175.141 175.141 173.955 1.186 19637 7599 1 10 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.117 -2.155 19637 7600 1 10 . 1 1 66 66 ILE CB C 66 38.637 38.637 40.373 -1.736 19637 7601 1 10 . 1 1 66 66 ILE H H 66 8.726 8.726 8.127 0.599 19637 7602 1 10 . 1 1 67 67 GLY N N 67 114.948 114.948 114.427 0.521 19637 7603 1 10 . 1 1 67 67 GLY C C 67 172.570 172.570 173.611 -1.041 19637 7604 1 10 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.816 -0.687 19637 7605 1 10 . 1 1 67 67 GLY H H 67 8.780 8.780 8.521 0.259 19637 7606 1 10 . 1 1 68 68 THR N N 68 106.079 106.079 114.230 -8.151 19637 7607 1 10 . 1 1 68 68 THR C C 68 175.574 175.574 175.260 0.314 19637 7608 1 10 . 1 1 68 68 THR CA C 68 58.672 58.672 59.453 -0.781 19637 7609 1 10 . 1 1 68 68 THR CB C 68 71.270 71.270 71.429 -0.159 19637 7610 1 10 . 1 1 68 68 THR H H 68 7.431 7.431 7.798 -0.367 19637 7611 1 10 . 1 1 69 69 ARG N N 69 122.303 122.303 124.424 -2.121 19637 7612 1 10 . 1 1 69 69 ARG C C 69 178.298 178.298 176.353 1.945 19637 7613 1 10 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.229 -0.000 19637 7614 1 10 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.034 -1.861 19637 7615 1 10 . 1 1 69 69 ARG H H 69 8.783 8.783 8.767 0.016 19637 7616 1 10 . 1 1 70 70 ALA N N 70 117.681 117.681 121.597 -3.916 19637 7617 1 10 . 1 1 70 70 ALA C C 70 179.281 179.281 178.009 1.272 19637 7618 1 10 . 1 1 70 70 ALA CA C 70 53.269 53.269 53.967 -0.698 19637 7619 1 10 . 1 1 70 70 ALA CB C 70 17.975 17.975 19.050 -1.075 19637 7620 1 10 . 1 1 70 70 ALA H H 70 8.262 8.262 8.330 -0.068 19637 7621 1 10 . 1 1 71 71 THR N N 71 105.486 105.486 109.223 -3.737 19637 7622 1 10 . 1 1 71 71 THR C C 71 176.136 176.136 175.193 0.943 19637 7623 1 10 . 1 1 71 71 THR CA C 71 60.895 60.895 61.252 -0.357 19637 7624 1 10 . 1 1 71 71 THR CB C 71 70.383 70.383 70.315 0.068 19637 7625 1 10 . 1 1 71 71 THR H H 71 7.473 7.473 7.991 -0.518 19637 7626 1 10 . 1 1 72 72 GLY N N 72 111.099 111.099 110.713 0.386 19637 7627 1 10 . 1 1 72 72 GLY C C 72 175.052 175.052 172.819 2.233 19637 7628 1 10 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.066 -1.020 19637 7629 1 10 . 1 1 72 72 GLY H H 72 8.194 8.194 8.176 0.018 19637 7630 1 10 . 1 1 73 73 ASP N N 73 121.919 121.919 120.469 1.450 19637 7631 1 10 . 1 1 73 73 ASP C C 73 177.889 177.889 175.111 2.778 19637 7632 1 10 . 1 1 73 73 ASP CA C 73 55.042 55.042 55.520 -0.478 19637 7633 1 10 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.572 -1.048 19637 7634 1 10 . 1 1 73 73 ASP H H 73 8.668 8.668 8.042 0.626 19637 7635 1 10 . 1 1 74 74 ILE N N 74 117.113 117.113 111.724 5.389 19637 7636 1 10 . 1 1 74 74 ILE C C 74 175.013 175.013 173.957 1.056 19637 7637 1 10 . 1 1 74 74 ILE CA C 74 59.914 59.914 60.512 -0.598 19637 7638 1 10 . 1 1 74 74 ILE CB C 74 41.297 41.297 38.641 2.656 19637 7639 1 10 . 1 1 74 74 ILE H H 74 9.327 9.327 8.585 0.742 19637 7640 1 10 . 1 1 75 75 ALA N N 75 121.329 121.329 122.696 -1.367 19637 7641 1 10 . 1 1 75 75 ALA CA C 75 50.425 50.425 51.386 -0.961 19637 7642 1 10 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.600 -0.077 19637 7643 1 10 . 1 1 75 75 ALA H H 75 8.086 8.086 7.597 0.489 19637 7644 1 10 . 1 1 76 76 THR N N 76 116.168 116.168 111.854 4.314 19637 7645 1 10 . 1 1 76 76 THR C C 76 173.043 173.043 172.910 0.133 19637 7646 1 10 . 1 1 76 76 THR CA C 76 60.540 60.540 61.103 -0.563 19637 7647 1 10 . 1 1 76 76 THR CB C 76 69.674 69.674 71.493 -1.819 19637 7648 1 10 . 1 1 76 76 THR H H 76 8.539 8.539 7.973 0.566 19637 7649 1 10 . 1 1 77 77 VAL N N 77 117.996 117.996 121.698 -3.702 19637 7650 1 10 . 1 1 77 77 VAL C C 77 174.964 174.964 175.336 -0.372 19637 7651 1 10 . 1 1 77 77 VAL CA C 77 57.348 57.348 61.797 -4.449 19637 7652 1 10 . 1 1 77 77 VAL CB C 77 34.026 34.026 33.136 0.890 19637 7653 1 10 . 1 1 77 77 VAL H H 77 8.578 8.578 8.582 -0.004 19637 7654 1 10 . 1 1 78 78 HIS N N 78 116.541 116.541 124.639 -8.098 19637 7655 1 10 . 1 1 78 78 HIS C C 78 173.634 173.634 174.332 -0.698 19637 7656 1 10 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.712 -1.887 19637 7657 1 10 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.308 -1.361 19637 7658 1 10 . 1 1 78 78 HIS H H 78 7.822 7.822 8.611 -0.789 19637 7659 1 10 . 1 1 79 79 HIS N N 79 113.176 113.176 122.929 -9.753 19637 7660 1 10 . 1 1 79 79 HIS C C 79 173.841 173.841 174.711 -0.870 19637 7661 1 10 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.253 -0.837 19637 7662 1 10 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.230 2.796 19637 7663 1 10 . 1 1 79 79 HIS H H 79 7.912 7.912 8.705 -0.793 19637 7664 1 10 . 1 1 80 80 LEU N N 80 118.153 118.153 121.747 -3.594 19637 7665 1 10 . 1 1 80 80 LEU C C 80 177.821 177.821 176.200 1.621 19637 7666 1 10 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.703 -1.544 19637 7667 1 10 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.407 2.856 19637 7668 1 10 . 1 1 80 80 LEU H H 80 8.205 8.205 8.529 -0.324 19637 7669 1 10 . 1 1 83 83 THR N N 83 115.326 115.326 119.261 -3.935 19637 7670 1 10 . 1 1 83 83 THR C C 83 171.362 171.362 173.730 -2.368 19637 7671 1 10 . 1 1 83 83 THR CA C 83 60.540 60.540 61.026 -0.486 19637 7672 1 10 . 1 1 83 83 THR CB C 83 72.068 72.068 71.653 0.415 19637 7673 1 10 . 1 1 83 83 THR H H 83 7.688 7.688 8.426 -0.738 19637 7674 1 10 . 1 1 84 84 LEU N N 84 129.848 129.848 122.543 7.305 19637 7675 1 10 . 1 1 84 84 LEU C C 84 174.373 174.373 175.018 -0.645 19637 7676 1 10 . 1 1 84 84 LEU CA C 84 52.421 52.421 53.693 -1.272 19637 7677 1 10 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.144 0.612 19637 7678 1 10 . 1 1 84 84 LEU H H 84 9.013 9.013 8.618 0.395 19637 7679 1 10 . 1 1 85 85 MET N N 85 121.374 121.374 120.666 0.708 19637 7680 1 10 . 1 1 85 85 MET C C 85 175.407 175.407 174.171 1.236 19637 7681 1 10 . 1 1 85 85 MET CA C 85 52.421 52.421 54.738 -2.317 19637 7682 1 10 . 1 1 85 85 MET CB C 85 34.558 34.558 38.094 -3.536 19637 7683 1 10 . 1 1 85 85 MET H H 85 9.823 9.823 9.063 0.760 19637 7684 1 10 . 1 1 86 86 ALA N N 86 123.689 123.689 124.989 -1.300 19637 7685 1 10 . 1 1 86 86 ALA C C 86 176.205 176.205 175.894 0.311 19637 7686 1 10 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.179 -0.374 19637 7687 1 10 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.652 -1.701 19637 7688 1 10 . 1 1 86 86 ALA H H 86 9.080 9.080 8.929 0.151 19637 7689 1 10 . 1 1 87 87 GLN N N 87 116.548 116.548 122.424 -5.876 19637 7690 1 10 . 1 1 87 87 GLN C C 87 175.495 175.495 173.933 1.562 19637 7691 1 10 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.617 -1.259 19637 7692 1 10 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.364 0.928 19637 7693 1 10 . 1 1 87 87 GLN H H 87 9.061 9.061 8.815 0.246 19637 7694 1 10 . 1 1 88 88 TRP N N 88 119.609 119.609 125.861 -6.252 19637 7695 1 10 . 1 1 88 88 TRP C C 88 174.727 174.727 174.102 0.625 19637 7696 1 10 . 1 1 88 88 TRP CA C 88 54.954 54.954 57.331 -2.377 19637 7697 1 10 . 1 1 88 88 TRP CB C 88 30.479 30.479 32.152 -1.673 19637 7698 1 10 . 1 1 88 88 TRP H H 88 8.893 8.893 9.043 -0.150 19637 7699 1 10 . 1 1 89 89 TYR N N 89 124.849 124.849 125.196 -0.347 19637 7700 1 10 . 1 1 89 89 TYR C C 89 176.382 176.382 173.948 2.434 19637 7701 1 10 . 1 1 89 89 TYR CA C 89 55.042 55.042 58.380 -3.338 19637 7702 1 10 . 1 1 89 89 TYR H H 89 8.815 8.815 8.888 -0.073 19637 7703 1 10 . 1 1 90 90 PHE N N 90 122.137 122.137 121.013 1.124 19637 7704 1 10 . 1 1 90 90 PHE C C 90 176.304 176.304 176.895 -0.591 19637 7705 1 10 . 1 1 90 90 PHE CA C 90 57.821 57.821 61.586 -3.765 19637 7706 1 10 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.547 -1.087 19637 7707 1 10 . 1 1 90 90 PHE H H 90 9.171 9.171 8.905 0.266 19637 7708 1 10 . 1 1 91 91 GLY N N 91 108.961 108.961 105.439 3.522 19637 7709 1 10 . 1 1 91 91 GLY C C 91 172.748 172.748 173.613 -0.865 19637 7710 1 10 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.579 -1.248 19637 7711 1 10 . 1 1 91 91 GLY H H 91 9.342 9.342 8.581 0.761 19637 7712 1 10 . 1 1 92 92 ASP N N 92 119.869 119.869 120.919 -1.050 19637 7713 1 10 . 1 1 92 92 ASP C C 92 175.968 175.968 175.187 0.781 19637 7714 1 10 . 1 1 92 92 ASP CA C 92 51.622 51.622 53.677 -2.055 19637 7715 1 10 . 1 1 92 92 ASP CB C 92 41.563 41.563 40.409 1.154 19637 7716 1 10 . 1 1 92 92 ASP H H 92 8.612 8.612 8.455 0.157 19637 7717 1 10 . 1 1 93 93 ALA N N 93 117.665 117.665 123.777 -6.112 19637 7718 1 10 . 1 1 93 93 ALA C C 93 178.748 178.748 177.360 1.388 19637 7719 1 10 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.425 0.755 19637 7720 1 10 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.308 -3.397 19637 7721 1 10 . 1 1 93 93 ALA H H 93 8.673 8.673 7.870 0.803 19637 7722 1 10 . 1 1 94 94 SER N N 94 115.062 115.062 113.508 1.554 19637 7723 1 10 . 1 1 94 94 SER C C 94 175.348 175.348 175.420 -0.072 19637 7724 1 10 . 1 1 94 94 SER CA C 94 58.185 58.185 58.253 -0.068 19637 7725 1 10 . 1 1 94 94 SER CB C 94 62.757 62.757 61.964 0.793 19637 7726 1 10 . 1 1 94 94 SER H H 94 8.902 8.902 8.398 0.504 19637 7727 1 10 . 1 1 95 95 SER N N 95 120.754 120.754 116.489 4.265 19637 7728 1 10 . 1 1 95 95 SER CA C 95 58.451 58.451 60.247 -1.796 19637 7729 1 10 . 1 1 95 95 SER CB C 95 62.580 62.580 63.250 -0.670 19637 7730 1 10 . 1 1 95 95 SER H H 95 7.922 7.922 8.085 -0.163 19637 7731 1 10 . 1 1 96 96 LYS N N 96 120.924 120.924 118.808 2.116 19637 7732 1 10 . 1 1 96 96 LYS CA C 96 54.599 54.599 55.832 -1.233 19637 7733 1 10 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.170 -1.804 19637 7734 1 10 . 1 1 96 96 LYS H H 96 8.555 8.555 7.568 0.987 19637 7735 1 10 . 1 1 97 97 PHE N N 97 117.773 117.773 113.574 4.199 19637 7736 1 10 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.130 -1.442 19637 7737 1 10 . 1 1 97 97 PHE CB C 97 40.322 40.322 39.996 0.326 19637 7738 1 10 . 1 1 97 97 PHE H H 97 7.596 7.596 7.169 0.427 19637 7739 1 10 . 1 1 98 98 ARG N N 98 120.982 120.982 122.221 -1.239 19637 7740 1 10 . 1 1 98 98 ARG C C 98 173.047 173.047 174.379 -1.332 19637 7741 1 10 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.781 -0.310 19637 7742 1 10 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.286 1.346 19637 7743 1 10 . 1 1 98 98 ARG H H 98 8.823 8.823 8.848 -0.025 19637 7744 1 10 . 1 1 100 100 TYR N N 100 117.775 117.775 113.149 4.626 19637 7745 1 10 . 1 1 100 100 TYR C C 100 173.047 173.047 173.069 -0.022 19637 7746 1 10 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.818 -2.864 19637 7747 1 10 . 1 1 100 100 TYR CB C 100 39.524 39.524 38.983 0.541 19637 7748 1 10 . 1 1 100 100 TYR H H 100 8.885 8.885 8.473 0.412 19637 7749 1 10 . 1 1 101 101 VAL N N 101 111.744 111.744 117.858 -6.114 19637 7750 1 10 . 1 1 101 101 VAL C C 101 173.457 173.457 173.880 -0.423 19637 7751 1 10 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.628 -2.523 19637 7752 1 10 . 1 1 101 101 VAL CB C 101 34.381 34.381 34.870 -0.489 19637 7753 1 10 . 1 1 101 101 VAL H H 101 8.365 8.365 8.315 0.050 19637 7754 1 10 . 1 1 102 102 GLY N N 102 108.300 108.300 113.048 -4.748 19637 7755 1 10 . 1 1 102 102 GLY C C 102 171.241 171.241 172.207 -0.966 19637 7756 1 10 . 1 1 102 102 GLY CA C 102 44.972 44.972 45.807 -0.835 19637 7757 1 10 . 1 1 102 102 GLY H H 102 8.271 8.271 8.588 -0.317 19637 7758 1 10 . 1 1 103 103 ALA N N 103 120.836 120.836 122.677 -1.841 19637 7759 1 10 . 1 1 103 103 ALA C C 103 175.614 175.614 176.099 -0.485 19637 7760 1 10 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.385 -0.551 19637 7761 1 10 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.326 -0.608 19637 7762 1 10 . 1 1 103 103 ALA H H 103 9.048 9.048 8.114 0.934 19637 7763 1 10 . 1 1 104 104 GLY N N 104 107.477 107.477 108.547 -1.070 19637 7764 1 10 . 1 1 104 104 GLY C C 104 171.832 171.832 173.306 -1.474 19637 7765 1 10 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.452 3.027 19637 7766 1 10 . 1 1 104 104 GLY H H 104 8.661 8.661 8.449 0.212 19637 7767 1 10 . 1 1 105 105 ILE N N 105 118.575 118.575 118.732 -0.157 19637 7768 1 10 . 1 1 105 105 ILE C C 105 172.275 172.275 174.043 -1.768 19637 7769 1 10 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.904 -3.556 19637 7770 1 10 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.647 0.005 19637 7771 1 10 . 1 1 105 105 ILE H H 105 9.020 9.020 8.435 0.585 19637 7772 1 10 . 1 1 106 106 ASN N N 106 123.879 123.879 125.545 -1.666 19637 7773 1 10 . 1 1 106 106 ASN C C 106 171.418 171.418 173.933 -2.515 19637 7774 1 10 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.972 -0.388 19637 7775 1 10 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.707 1.147 19637 7776 1 10 . 1 1 106 106 ASN H H 106 9.659 9.659 9.002 0.657 19637 7777 1 10 . 1 1 107 107 TYR N N 107 125.744 125.744 126.479 -0.735 19637 7778 1 10 . 1 1 107 107 TYR C C 107 173.073 173.073 175.317 -2.244 19637 7779 1 10 . 1 1 107 107 TYR CA C 107 54.504 54.504 58.229 -3.725 19637 7780 1 10 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.526 1.328 19637 7781 1 10 . 1 1 107 107 TYR H H 107 8.273 8.273 8.858 -0.585 19637 7782 1 10 . 1 1 108 108 THR N N 108 119.337 119.337 125.609 -6.272 19637 7783 1 10 . 1 1 108 108 THR C C 108 172.457 172.457 173.129 -0.672 19637 7784 1 10 . 1 1 108 108 THR CA C 108 60.452 60.452 61.354 -0.902 19637 7785 1 10 . 1 1 108 108 THR CB C 108 69.319 69.319 68.272 1.047 19637 7786 1 10 . 1 1 108 108 THR H H 108 8.446 8.446 8.892 -0.446 19637 7787 1 10 . 1 1 109 109 THR N N 109 118.655 118.655 119.499 -0.844 19637 7788 1 10 . 1 1 109 109 THR C C 109 171.625 171.625 172.800 -1.175 19637 7789 1 10 . 1 1 109 109 THR CA C 109 56.810 56.810 61.939 -5.129 19637 7790 1 10 . 1 1 109 109 THR H H 109 7.548 7.548 8.575 -1.027 19637 7791 1 10 . 1 1 112 112 ASP N N 112 116.796 116.796 119.881 -3.085 19637 7792 1 10 . 1 1 112 112 ASP C C 112 175.490 175.490 174.859 0.631 19637 7793 1 10 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.865 -0.981 19637 7794 1 10 . 1 1 112 112 ASP CB C 112 37.662 37.662 40.721 -3.059 19637 7795 1 10 . 1 1 112 112 ASP H H 112 8.995 8.995 8.342 0.653 19637 7796 1 10 . 1 1 113 113 ASN N N 113 117.801 117.801 123.005 -5.204 19637 7797 1 10 . 1 1 113 113 ASN C C 113 175.702 175.702 176.576 -0.874 19637 7798 1 10 . 1 1 113 113 ASN CA C 113 50.736 50.736 55.045 -4.309 19637 7799 1 10 . 1 1 113 113 ASN CB C 113 39.348 39.348 38.963 0.385 19637 7800 1 10 . 1 1 113 113 ASN H H 113 8.410 8.410 8.822 -0.412 19637 7801 1 10 . 1 1 114 114 GLY N N 114 107.744 107.744 108.138 -0.394 19637 7802 1 10 . 1 1 114 114 GLY C C 114 171.979 171.979 175.331 -3.352 19637 7803 1 10 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.937 -1.143 19637 7804 1 10 . 1 1 114 114 GLY H H 114 8.557 8.557 7.868 0.689 19637 7805 1 10 . 1 1 115 115 PHE N N 115 119.554 119.554 121.701 -2.147 19637 7806 1 10 . 1 1 115 115 PHE C C 115 176.192 176.192 174.536 1.656 19637 7807 1 10 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.457 -0.967 19637 7808 1 10 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.983 0.098 19637 7809 1 10 . 1 1 115 115 PHE H H 115 8.607 8.607 7.692 0.915 19637 7810 1 10 . 1 1 116 116 ASN N N 116 120.356 120.356 117.729 2.627 19637 7811 1 10 . 1 1 116 116 ASN C C 116 175.407 175.407 175.131 0.276 19637 7812 1 10 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.746 -2.675 19637 7813 1 10 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.185 -4.144 19637 7814 1 10 . 1 1 116 116 ASN H H 116 8.240 8.240 8.610 -0.370 19637 7815 1 10 . 1 1 117 117 ASP N N 117 117.610 117.610 120.475 -2.865 19637 7816 1 10 . 1 1 117 117 ASP C C 117 178.298 178.298 178.129 0.169 19637 7817 1 10 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.528 -1.180 19637 7818 1 10 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.537 -1.989 19637 7819 1 10 . 1 1 117 117 ASP H H 117 8.460 8.460 8.779 -0.319 19637 7820 1 10 . 1 1 118 118 HIS N N 118 118.493 118.493 118.370 0.123 19637 7821 1 10 . 1 1 118 118 HIS C C 118 177.821 177.821 177.100 0.721 19637 7822 1 10 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.929 -2.163 19637 7823 1 10 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.864 -3.137 19637 7824 1 10 . 1 1 118 118 HIS H H 118 8.185 8.185 8.462 -0.277 19637 7825 1 10 . 1 1 119 119 GLY N N 119 107.937 107.937 106.346 1.591 19637 7826 1 10 . 1 1 119 119 GLY C C 119 175.082 175.082 176.112 -1.030 19637 7827 1 10 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.933 -0.321 19637 7828 1 10 . 1 1 119 119 GLY H H 119 8.788 8.788 8.490 0.298 19637 7829 1 10 . 1 1 120 120 LYS N N 120 122.898 122.898 122.621 0.277 19637 7830 1 10 . 1 1 120 120 LYS C C 120 181.612 181.612 179.403 2.209 19637 7831 1 10 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.379 -0.662 19637 7832 1 10 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.443 -1.787 19637 7833 1 10 . 1 1 120 120 LYS H H 120 8.890 8.890 8.576 0.314 19637 7834 1 10 . 1 1 121 121 GLU N N 121 120.995 120.995 119.426 1.569 19637 7835 1 10 . 1 1 121 121 GLU C C 121 177.327 177.327 176.590 0.737 19637 7836 1 10 . 1 1 121 121 GLU CA C 121 57.653 57.653 57.949 -0.296 19637 7837 1 10 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.277 -1.547 19637 7838 1 10 . 1 1 121 121 GLU H H 121 8.234 8.234 7.880 0.354 19637 7839 1 10 . 1 1 122 122 ALA N N 122 119.811 119.811 118.949 0.862 19637 7840 1 10 . 1 1 122 122 ALA C C 122 176.500 176.500 177.261 -0.761 19637 7841 1 10 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.081 -0.039 19637 7842 1 10 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.122 -2.412 19637 7843 1 10 . 1 1 122 122 ALA H H 122 7.259 7.259 7.275 -0.016 19637 7844 1 10 . 1 1 123 123 GLY N N 123 103.863 103.863 107.256 -3.393 19637 7845 1 10 . 1 1 123 123 GLY C C 123 175.082 175.082 173.651 1.431 19637 7846 1 10 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.309 -2.045 19637 7847 1 10 . 1 1 123 123 GLY H H 123 7.745 7.745 7.940 -0.195 19637 7848 1 10 . 1 1 124 124 LEU N N 124 123.722 123.722 113.125 10.597 19637 7849 1 10 . 1 1 124 124 LEU C C 124 176.293 176.293 173.932 2.361 19637 7850 1 10 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.212 0.057 19637 7851 1 10 . 1 1 124 124 LEU CB C 124 38.016 38.016 45.091 -7.075 19637 7852 1 10 . 1 1 124 124 LEU H H 124 7.461 7.461 7.830 -0.369 19637 7853 1 10 . 1 1 125 125 SER N N 125 114.112 114.112 113.817 0.295 19637 7854 1 10 . 1 1 125 125 SER C C 125 173.250 173.250 173.923 -0.673 19637 7855 1 10 . 1 1 125 125 SER CA C 125 57.259 57.259 56.868 0.390 19637 7856 1 10 . 1 1 125 125 SER CB C 125 65.684 65.684 65.617 0.067 19637 7857 1 10 . 1 1 125 125 SER H H 125 8.809 8.809 8.186 0.623 19637 7858 1 10 . 1 1 126 126 ASP N N 126 117.817 117.817 123.282 -5.465 19637 7859 1 10 . 1 1 126 126 ASP C C 126 174.107 174.107 175.681 -1.574 19637 7860 1 10 . 1 1 126 126 ASP CA C 126 54.593 54.593 56.354 -1.761 19637 7861 1 10 . 1 1 126 126 ASP CB C 126 38.726 38.726 41.138 -2.412 19637 7862 1 10 . 1 1 126 126 ASP H H 126 9.035 9.035 8.644 0.391 19637 7863 1 10 . 1 1 127 127 LEU N N 127 120.160 120.160 118.103 2.057 19637 7864 1 10 . 1 1 127 127 LEU C C 127 176.726 176.726 174.165 2.561 19637 7865 1 10 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.173 -0.802 19637 7866 1 10 . 1 1 127 127 LEU CB C 127 40.322 40.322 45.118 -4.796 19637 7867 1 10 . 1 1 127 127 LEU H H 127 8.109 8.109 7.358 0.751 19637 7868 1 10 . 1 1 128 128 SER N N 128 120.909 120.909 116.265 4.644 19637 7869 1 10 . 1 1 128 128 SER C C 128 172.038 172.038 172.312 -0.274 19637 7870 1 10 . 1 1 128 128 SER CA C 128 57.120 57.120 56.578 0.542 19637 7871 1 10 . 1 1 128 128 SER CB C 128 64.353 64.353 66.232 -1.879 19637 7872 1 10 . 1 1 128 128 SER H H 128 9.499 9.499 8.284 1.215 19637 7873 1 10 . 1 1 129 129 LEU N N 129 122.260 122.260 122.306 -0.046 19637 7874 1 10 . 1 1 129 129 LEU C C 129 176.411 176.411 176.126 0.285 19637 7875 1 10 . 1 1 129 129 LEU CA C 129 53.839 53.839 53.434 0.405 19637 7876 1 10 . 1 1 129 129 LEU CB C 129 42.539 42.539 44.730 -2.191 19637 7877 1 10 . 1 1 129 129 LEU H H 129 8.182 8.182 8.380 -0.198 19637 7878 1 10 . 1 1 130 130 LYS N N 130 122.490 122.490 124.327 -1.837 19637 7879 1 10 . 1 1 130 130 LYS C C 130 176.754 176.754 175.764 0.990 19637 7880 1 10 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.684 -0.642 19637 7881 1 10 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.783 -1.265 19637 7882 1 10 . 1 1 130 130 LYS H H 130 7.536 7.536 8.665 -1.129 19637 7883 1 10 . 1 1 131 131 ASP N N 131 123.217 123.217 119.188 4.029 19637 7884 1 10 . 1 1 131 131 ASP C C 131 175.998 175.998 176.438 -0.440 19637 7885 1 10 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.215 -0.756 19637 7886 1 10 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.149 0.084 19637 7887 1 10 . 1 1 131 131 ASP H H 131 8.782 8.782 8.380 0.402 19637 7888 1 10 . 1 1 132 132 SER N N 132 115.445 115.445 119.758 -4.313 19637 7889 1 10 . 1 1 132 132 SER C C 132 171.920 171.920 173.843 -1.923 19637 7890 1 10 . 1 1 132 132 SER CA C 132 55.790 55.790 57.123 -1.333 19637 7891 1 10 . 1 1 132 132 SER CB C 132 64.087 64.087 63.674 0.413 19637 7892 1 10 . 1 1 132 132 SER H H 132 9.016 9.016 8.794 0.222 19637 7893 1 10 . 1 1 133 133 TRP N N 133 124.389 124.389 124.339 0.050 19637 7894 1 10 . 1 1 133 133 TRP C C 133 178.243 178.243 175.027 3.216 19637 7895 1 10 . 1 1 133 133 TRP CA C 133 55.309 55.309 53.789 1.520 19637 7896 1 10 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.171 1.230 19637 7897 1 10 . 1 1 133 133 TRP H H 133 7.896 7.896 7.514 0.382 19637 7898 1 10 . 1 1 134 134 GLY N N 134 107.658 107.658 109.197 -1.539 19637 7899 1 10 . 1 1 134 134 GLY C C 134 171.123 171.123 171.954 -0.831 19637 7900 1 10 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.417 0.333 19637 7901 1 10 . 1 1 134 134 GLY H H 134 8.896 8.896 8.456 0.440 19637 7902 1 10 . 1 1 135 135 ALA N N 135 122.244 122.244 120.477 1.767 19637 7903 1 10 . 1 1 135 135 ALA C C 135 174.875 174.875 175.195 -0.320 19637 7904 1 10 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.094 1.047 19637 7905 1 10 . 1 1 135 135 ALA CB C 135 19.306 19.306 22.030 -2.724 19637 7906 1 10 . 1 1 135 135 ALA H H 135 8.946 8.946 8.491 0.455 19637 7907 1 10 . 1 1 136 136 ALA N N 136 118.579 118.579 119.519 -0.940 19637 7908 1 10 . 1 1 136 136 ALA C C 136 175.434 175.434 175.654 -0.220 19637 7909 1 10 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.842 -1.348 19637 7910 1 10 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.467 1.740 19637 7911 1 10 . 1 1 136 136 ALA H H 136 8.111 8.111 8.215 -0.104 19637 7912 1 10 . 1 1 137 137 GLY N N 137 105.005 105.005 106.772 -1.767 19637 7913 1 10 . 1 1 137 137 GLY C C 137 171.300 171.300 173.417 -2.117 19637 7914 1 10 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.444 -1.262 19637 7915 1 10 . 1 1 137 137 GLY H H 137 8.933 8.933 8.101 0.832 19637 7916 1 10 . 1 1 138 138 GLN N N 138 115.695 115.695 125.048 -9.353 19637 7917 1 10 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.093 -1.830 19637 7918 1 10 . 1 1 138 138 GLN H H 138 8.559 8.559 8.091 0.468 19637 7919 1 10 . 1 1 140 140 GLY N N 140 110.307 110.307 115.357 -5.050 19637 7920 1 10 . 1 1 140 140 GLY C C 140 171.329 171.329 170.820 0.509 19637 7921 1 10 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.983 -0.367 19637 7922 1 10 . 1 1 140 140 GLY H H 140 7.936 7.936 8.685 -0.749 19637 7923 1 10 . 1 1 141 141 VAL N N 141 112.233 112.233 112.710 -0.477 19637 7924 1 10 . 1 1 141 141 VAL C C 141 171.979 171.979 173.469 -1.490 19637 7925 1 10 . 1 1 141 141 VAL CA C 141 59.914 59.914 58.680 1.234 19637 7926 1 10 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.608 -1.671 19637 7927 1 10 . 1 1 141 141 VAL H H 141 8.646 8.646 8.449 0.197 19637 7928 1 10 . 1 1 142 142 ASP N N 142 122.520 122.520 122.400 0.120 19637 7929 1 10 . 1 1 142 142 ASP C C 142 175.259 175.259 175.000 0.259 19637 7930 1 10 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.746 -1.035 19637 7931 1 10 . 1 1 142 142 ASP CB C 142 43.780 43.780 43.771 0.009 19637 7932 1 10 . 1 1 142 142 ASP H H 142 7.402 7.402 8.272 -0.870 19637 7933 1 10 . 1 1 143 143 TYR N N 143 122.331 122.331 125.150 -2.819 19637 7934 1 10 . 1 1 143 143 TYR C C 143 173.870 173.870 174.681 -0.811 19637 7935 1 10 . 1 1 143 143 TYR CA C 143 54.948 54.948 58.512 -3.564 19637 7936 1 10 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.183 -0.418 19637 7937 1 10 . 1 1 143 143 TYR H H 143 9.396 9.396 8.966 0.430 19637 7938 1 10 . 1 1 144 144 LEU N N 144 130.341 130.341 120.392 9.949 19637 7939 1 10 . 1 1 144 144 LEU C C 144 174.786 174.786 175.570 -0.784 19637 7940 1 10 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.227 1.298 19637 7941 1 10 . 1 1 144 144 LEU CB C 144 40.677 40.677 41.922 -1.245 19637 7942 1 10 . 1 1 144 144 LEU H H 144 8.313 8.313 8.279 0.034 19637 7943 1 10 . 1 1 145 145 ILE N N 145 124.602 124.602 113.915 10.687 19637 7944 1 10 . 1 1 145 145 ILE C C 145 177.593 177.593 175.322 2.271 19637 7945 1 10 . 1 1 145 145 ILE CA C 145 60.097 60.097 60.446 -0.349 19637 7946 1 10 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.543 -1.679 19637 7947 1 10 . 1 1 145 145 ILE H H 145 8.809 8.809 7.745 1.064 19637 7948 1 10 . 1 1 146 146 ASN N N 146 118.348 118.348 121.852 -3.504 19637 7949 1 10 . 1 1 146 146 ASN CA C 146 51.318 51.318 51.978 -0.660 19637 7950 1 10 . 1 1 146 146 ASN CB C 146 36.952 36.952 37.389 -0.437 19637 7951 1 10 . 1 1 146 146 ASN H H 146 8.362 8.362 8.469 -0.107 19637 7952 1 10 . 1 1 147 147 ARG N N 147 113.940 113.940 117.922 -3.982 19637 7953 1 10 . 1 1 147 147 ARG C C 147 176.470 176.470 175.120 1.350 19637 7954 1 10 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.489 -0.905 19637 7955 1 10 . 1 1 147 147 ARG CB C 147 28.705 28.705 28.600 0.105 19637 7956 1 10 . 1 1 147 147 ARG H H 147 8.072 8.072 7.682 0.390 19637 7957 1 10 . 1 1 148 148 ASP N N 148 112.938 112.938 117.203 -4.265 19637 7958 1 10 . 1 1 148 148 ASP C C 148 174.373 174.373 175.668 -1.295 19637 7959 1 10 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.095 0.232 19637 7960 1 10 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.590 0.038 19637 7961 1 10 . 1 1 148 148 ASP H H 148 7.668 7.668 7.277 0.391 19637 7962 1 10 . 1 1 149 149 TRP N N 149 116.148 116.148 118.311 -2.163 19637 7963 1 10 . 1 1 149 149 TRP C C 149 175.574 175.574 174.480 1.094 19637 7964 1 10 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.986 -0.500 19637 7965 1 10 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.372 0.348 19637 7966 1 10 . 1 1 149 149 TRP H H 149 7.788 7.788 7.349 0.439 19637 7967 1 10 . 1 1 150 150 LEU N N 150 118.106 118.106 117.101 1.005 19637 7968 1 10 . 1 1 150 150 LEU C C 150 175.141 175.141 176.269 -1.128 19637 7969 1 10 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.179 -1.024 19637 7970 1 10 . 1 1 150 150 LEU CB C 150 44.401 44.401 43.711 0.690 19637 7971 1 10 . 1 1 150 150 LEU H H 150 9.306 9.306 8.953 0.353 19637 7972 1 10 . 1 1 151 151 VAL N N 151 115.211 115.211 117.776 -2.565 19637 7973 1 10 . 1 1 151 151 VAL C C 151 173.524 173.524 173.301 0.223 19637 7974 1 10 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.740 -2.441 19637 7975 1 10 . 1 1 151 151 VAL CB C 151 33.849 33.849 36.497 -2.648 19637 7976 1 10 . 1 1 151 151 VAL H H 151 9.293 9.293 8.866 0.427 19637 7977 1 10 . 1 1 152 152 ASN N N 152 124.526 124.526 126.697 -2.171 19637 7978 1 10 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.063 -1.308 19637 7979 1 10 . 1 1 152 152 ASN CB C 152 42.628 42.628 41.563 1.065 19637 7980 1 10 . 1 1 152 152 ASN H H 152 8.893 8.893 8.947 -0.054 19637 7981 1 10 . 1 1 153 153 MET N N 153 118.533 118.533 124.489 -5.956 19637 7982 1 10 . 1 1 153 153 MET C C 153 173.987 173.987 174.053 -0.066 19637 7983 1 10 . 1 1 153 153 MET CA C 153 54.017 54.017 55.259 -1.242 19637 7984 1 10 . 1 1 153 153 MET CB C 153 36.243 36.243 36.100 0.143 19637 7985 1 10 . 1 1 153 153 MET H H 153 8.003 8.003 9.063 -1.060 19637 7986 1 10 . 1 1 154 154 SER N N 154 113.225 113.225 119.968 -6.743 19637 7987 1 10 . 1 1 154 154 SER C C 154 172.120 172.120 172.807 -0.687 19637 7988 1 10 . 1 1 154 154 SER CA C 154 56.550 56.550 57.237 -0.687 19637 7989 1 10 . 1 1 154 154 SER CB C 154 64.619 64.619 66.474 -1.855 19637 7990 1 10 . 1 1 154 154 SER H H 154 9.191 9.191 8.876 0.315 19637 7991 1 10 . 1 1 155 155 VAL N N 155 119.543 119.543 115.066 4.477 19637 7992 1 10 . 1 1 155 155 VAL C C 155 173.973 173.973 173.806 0.167 19637 7993 1 10 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.677 -1.295 19637 7994 1 10 . 1 1 155 155 VAL H H 155 9.190 9.190 7.833 1.357 19637 7995 1 10 . 1 1 156 156 TRP N N 156 124.596 124.596 119.631 4.965 19637 7996 1 10 . 1 1 156 156 TRP C C 156 175.237 175.237 174.289 0.948 19637 7997 1 10 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.464 -4.201 19637 7998 1 10 . 1 1 156 156 TRP CB C 156 33.228 33.228 33.141 0.087 19637 7999 1 10 . 1 1 156 156 TRP H H 156 9.883 9.883 8.045 1.838 19637 8000 1 10 . 1 1 160 160 ILE N N 160 123.211 123.211 118.643 4.568 19637 8001 1 10 . 1 1 160 160 ILE C C 160 173.545 173.545 173.525 0.020 19637 8002 1 10 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.347 -0.078 19637 8003 1 10 . 1 1 160 160 ILE H H 160 7.948 7.948 8.292 -0.344 19637 8004 1 10 . 1 1 161 161 ASP N N 161 128.357 128.357 125.859 2.498 19637 8005 1 10 . 1 1 161 161 ASP CA C 161 52.421 52.421 52.971 -0.550 19637 8006 1 10 . 1 1 161 161 ASP CB C 161 41.830 41.830 40.583 1.247 19637 8007 1 10 . 1 1 161 161 ASP H H 161 8.302 8.302 8.357 -0.055 19637 8008 1 10 . 1 1 162 162 THR N N 162 117.472 117.472 119.020 -1.548 19637 8009 1 10 . 1 1 162 162 THR CA C 162 57.259 57.259 61.186 -3.927 19637 8010 1 10 . 1 1 162 162 THR CB C 162 68.167 68.167 70.437 -2.270 19637 8011 1 10 . 1 1 162 162 THR H H 162 8.788 8.788 7.897 0.891 19637 8012 1 10 . 1 1 163 163 THR N N 163 120.189 120.189 123.928 -3.739 19637 8013 1 10 . 1 1 163 163 THR CA C 163 60.629 60.629 62.716 -2.087 19637 8014 1 10 . 1 1 163 163 THR CB C 163 68.278 68.278 69.307 -1.029 19637 8015 1 10 . 1 1 163 163 THR H H 163 8.429 8.429 8.926 -0.497 19637 8016 1 10 . 1 1 164 164 ALA N N 164 127.991 127.991 130.769 -2.778 19637 8017 1 10 . 1 1 164 164 ALA C C 164 174.993 174.993 176.312 -1.319 19637 8018 1 10 . 1 1 164 164 ALA CA C 164 49.190 49.190 49.792 -0.602 19637 8019 1 10 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.075 -2.124 19637 8020 1 10 . 1 1 164 164 ALA H H 164 9.428 9.428 9.124 0.304 19637 8021 1 10 . 1 1 165 165 ASN N N 165 122.214 122.214 123.647 -1.433 19637 8022 1 10 . 1 1 165 165 ASN C C 165 173.047 173.047 173.727 -0.680 19637 8023 1 10 . 1 1 165 165 ASN CA C 165 51.141 51.141 51.700 -0.559 19637 8024 1 10 . 1 1 165 165 ASN CB C 165 40.056 40.056 39.489 0.567 19637 8025 1 10 . 1 1 165 165 ASN H H 165 9.216 9.216 8.449 0.767 19637 8026 1 10 . 1 1 166 166 TYR N N 166 116.330 116.330 125.359 -9.029 19637 8027 1 10 . 1 1 166 166 TYR C C 166 172.260 172.260 174.974 -2.714 19637 8028 1 10 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.962 -2.565 19637 8029 1 10 . 1 1 166 166 TYR CB C 166 37.662 37.662 38.752 -1.090 19637 8030 1 10 . 1 1 166 166 TYR H H 166 7.816 7.816 8.688 -0.872 19637 8031 1 10 . 1 1 167 167 LYS N N 167 117.734 117.734 127.648 -9.914 19637 8032 1 10 . 1 1 167 167 LYS C C 167 174.760 174.760 175.283 -0.523 19637 8033 1 10 . 1 1 167 167 LYS CA C 167 53.751 53.751 56.124 -2.373 19637 8034 1 10 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.120 1.261 19637 8035 1 10 . 1 1 167 167 LYS H H 167 9.100 9.100 8.379 0.721 19637 8036 1 10 . 1 1 168 168 LEU N N 168 121.623 121.623 126.725 -5.102 19637 8037 1 10 . 1 1 168 168 LEU C C 168 177.877 177.877 176.458 1.419 19637 8038 1 10 . 1 1 168 168 LEU CA C 168 52.509 52.509 55.259 -2.750 19637 8039 1 10 . 1 1 168 168 LEU CB C 168 42.894 42.894 43.018 -0.124 19637 8040 1 10 . 1 1 168 168 LEU H H 168 8.372 8.372 8.404 -0.032 19637 8041 1 10 . 1 1 169 169 GLY N N 169 119.264 119.264 114.330 4.934 19637 8042 1 10 . 1 1 169 169 GLY C C 169 175.602 175.602 175.158 0.444 19637 8043 1 10 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.159 1.098 19637 8044 1 10 . 1 1 169 169 GLY H H 169 9.603 9.603 8.813 0.790 19637 8045 1 10 . 1 1 170 170 GLY N N 170 104.659 104.659 106.215 -1.556 19637 8046 1 10 . 1 1 170 170 GLY C C 170 172.570 172.570 174.033 -1.463 19637 8047 1 10 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.633 -0.593 19637 8048 1 10 . 1 1 170 170 GLY H H 170 8.381 8.381 8.264 0.117 19637 8049 1 10 . 1 1 171 171 ALA N N 171 123.570 123.570 122.062 1.508 19637 8050 1 10 . 1 1 171 171 ALA C C 171 177.569 177.569 176.256 1.313 19637 8051 1 10 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.078 -1.185 19637 8052 1 10 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.451 -1.121 19637 8053 1 10 . 1 1 171 171 ALA H H 171 7.650 7.650 7.969 -0.319 19637 8054 1 10 . 1 1 172 172 GLN N N 172 124.057 124.057 122.008 2.049 19637 8055 1 10 . 1 1 172 172 GLN C C 172 174.869 174.869 175.632 -0.763 19637 8056 1 10 . 1 1 172 172 GLN CA C 172 56.018 56.018 56.197 -0.179 19637 8057 1 10 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.915 0.258 19637 8058 1 10 . 1 1 172 172 GLN H H 172 8.840 8.840 8.764 0.076 19637 8059 1 10 . 1 1 173 173 GLN N N 173 124.328 124.328 123.747 0.581 19637 8060 1 10 . 1 1 173 173 GLN C C 173 174.953 174.953 174.276 0.677 19637 8061 1 10 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.626 -3.471 19637 8062 1 10 . 1 1 173 173 GLN CB C 173 29.415 29.415 31.285 -1.870 19637 8063 1 10 . 1 1 173 173 GLN H H 173 9.023 9.023 8.503 0.520 19637 8064 1 10 . 1 1 174 174 HIS N N 174 115.629 115.629 111.514 4.115 19637 8065 1 10 . 1 1 174 174 HIS C C 174 173.103 173.103 173.016 0.087 19637 8066 1 10 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.355 -1.909 19637 8067 1 10 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.091 -1.410 19637 8068 1 10 . 1 1 174 174 HIS H H 174 8.227 8.227 8.197 0.030 19637 8069 1 10 . 1 1 175 175 ASP N N 175 120.615 120.615 123.228 -2.613 19637 8070 1 10 . 1 1 175 175 ASP C C 175 175.013 175.013 175.245 -0.232 19637 8071 1 10 . 1 1 175 175 ASP CA C 175 52.731 52.731 52.925 -0.194 19637 8072 1 10 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.956 1.155 19637 8073 1 10 . 1 1 175 175 ASP H H 175 8.964 8.964 8.514 0.450 19637 8074 1 10 . 1 1 176 176 SER N N 176 118.175 118.175 120.889 -2.714 19637 8075 1 10 . 1 1 176 176 SER C C 176 173.496 173.496 174.423 -0.927 19637 8076 1 10 . 1 1 176 176 SER CA C 176 57.697 57.697 57.552 0.145 19637 8077 1 10 . 1 1 176 176 SER CB C 176 62.757 62.757 63.595 -0.838 19637 8078 1 10 . 1 1 176 176 SER H H 176 9.137 9.137 8.654 0.483 19637 8079 1 10 . 1 1 177 177 VAL N N 177 123.737 123.737 124.261 -0.524 19637 8080 1 10 . 1 1 177 177 VAL C C 177 173.398 173.398 174.435 -1.037 19637 8081 1 10 . 1 1 177 177 VAL CA C 177 60.277 60.277 59.802 0.475 19637 8082 1 10 . 1 1 177 177 VAL CB C 177 32.518 32.518 33.301 -0.783 19637 8083 1 10 . 1 1 177 177 VAL H H 177 8.492 8.492 8.693 -0.201 19637 8084 1 10 . 1 1 178 178 ARG N N 178 127.628 127.628 124.685 2.943 19637 8085 1 10 . 1 1 178 178 ARG C C 178 175.097 175.097 176.146 -1.049 19637 8086 1 10 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.398 -0.381 19637 8087 1 10 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.357 -3.208 19637 8088 1 10 . 1 1 178 178 ARG H H 178 8.513 8.513 8.345 0.168 19637 8089 1 10 . 1 1 182 182 TRP N N 182 115.616 115.616 123.643 -8.027 19637 8090 1 10 . 1 1 182 182 TRP C C 182 176.613 176.613 175.442 1.171 19637 8091 1 10 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.449 -1.221 19637 8092 1 10 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.140 0.669 19637 8093 1 10 . 1 1 182 182 TRP H H 182 7.491 7.491 7.962 -0.471 19637 8094 1 10 . 1 1 183 183 VAL N N 183 121.618 121.618 117.353 4.265 19637 8095 1 10 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.418 -2.790 19637 8096 1 10 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.660 -2.964 19637 8097 1 10 . 1 1 183 183 VAL H H 183 9.372 9.372 8.754 0.618 19637 8098 1 10 . 1 1 185 185 MET N N 185 129.032 129.032 124.514 4.518 19637 8099 1 10 . 1 1 185 185 MET C C 185 172.186 172.186 174.464 -2.278 19637 8100 1 10 . 1 1 185 185 MET CA C 185 53.091 53.091 54.618 -1.527 19637 8101 1 10 . 1 1 185 185 MET CB C 185 33.405 33.405 34.861 -1.456 19637 8102 1 10 . 1 1 185 185 MET H H 185 9.615 9.615 8.703 0.912 19637 8103 1 10 . 1 1 186 186 PHE N N 186 124.085 124.085 121.726 2.359 19637 8104 1 10 . 1 1 186 186 PHE C C 186 174.816 174.816 173.418 1.398 19637 8105 1 10 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.246 -1.115 19637 8106 1 10 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.941 -1.353 19637 8107 1 10 . 1 1 186 186 PHE H H 186 7.976 7.976 8.024 -0.048 19637 8108 1 10 . 1 1 187 187 SER N N 187 116.369 116.369 115.543 0.826 19637 8109 1 10 . 1 1 187 187 SER C C 187 171.305 171.305 172.536 -1.231 19637 8110 1 10 . 1 1 187 187 SER CA C 187 57.348 57.348 57.597 -0.249 19637 8111 1 10 . 1 1 187 187 SER CB C 187 66.127 66.127 65.938 0.189 19637 8112 1 10 . 1 1 187 187 SER H H 187 9.355 9.355 9.070 0.285 19637 8113 1 10 . 1 1 188 188 ALA N N 188 119.248 119.248 121.928 -2.680 19637 8114 1 10 . 1 1 188 188 ALA C C 188 175.996 175.996 176.190 -0.194 19637 8115 1 10 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.327 -2.242 19637 8116 1 10 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.685 0.394 19637 8117 1 10 . 1 1 188 188 ALA H H 188 8.300 8.300 8.364 -0.064 19637 8118 1 10 . 1 1 189 189 GLY N N 189 104.914 104.914 105.713 -0.799 19637 8119 1 10 . 1 1 189 189 GLY C C 189 170.650 170.650 171.731 -1.081 19637 8120 1 10 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.524 -1.478 19637 8121 1 10 . 1 1 189 189 GLY H H 189 9.235 9.235 8.279 0.956 19637 8122 1 10 . 1 1 190 190 TYR N N 190 121.149 121.149 119.880 1.269 19637 8123 1 10 . 1 1 190 190 TYR C C 190 173.608 173.608 174.398 -0.790 19637 8124 1 10 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.083 -0.952 19637 8125 1 10 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.762 -0.400 19637 8126 1 10 . 1 1 190 190 TYR H H 190 8.865 8.865 9.141 -0.276 19637 8127 1 10 . 1 1 191 191 ARG N N 191 125.697 125.697 122.867 2.830 19637 8128 1 10 . 1 1 191 191 ARG CA C 191 53.529 53.529 57.932 -4.403 19637 8129 1 10 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.531 -0.584 19637 8130 1 10 . 1 1 191 191 ARG H H 191 7.469 7.469 8.306 -0.837 19637 8131 1 11 . 1 1 2 2 HIS N N 2 119.214 119.214 115.397 3.817 19637 8132 1 11 . 1 1 2 2 HIS C C 2 171.081 171.081 173.407 -2.326 19637 8133 1 11 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.703 -3.415 19637 8134 1 11 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.358 -6.062 19637 8135 1 11 . 1 1 2 2 HIS H H 2 8.422 8.422 7.859 0.563 19637 8136 1 11 . 1 1 3 3 GLU N N 3 113.500 113.500 119.363 -5.863 19637 8137 1 11 . 1 1 3 3 GLU C C 3 174.619 174.619 175.745 -1.126 19637 8138 1 11 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.850 -1.188 19637 8139 1 11 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.014 -1.599 19637 8140 1 11 . 1 1 3 3 GLU H H 3 6.642 6.642 7.855 -1.213 19637 8141 1 11 . 1 1 4 4 ALA N N 4 120.680 120.680 122.923 -2.243 19637 8142 1 11 . 1 1 4 4 ALA C C 4 178.439 178.439 178.182 0.257 19637 8143 1 11 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.427 -1.051 19637 8144 1 11 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.786 -1.343 19637 8145 1 11 . 1 1 4 4 ALA H H 4 8.701 8.701 8.430 0.271 19637 8146 1 11 . 1 1 5 5 GLY N N 5 112.786 112.786 110.403 2.383 19637 8147 1 11 . 1 1 5 5 GLY C C 5 173.309 173.309 174.625 -1.316 19637 8148 1 11 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.020 -1.467 19637 8149 1 11 . 1 1 5 5 GLY H H 5 9.294 9.294 8.623 0.671 19637 8150 1 11 . 1 1 6 6 GLU N N 6 121.755 121.755 123.074 -1.319 19637 8151 1 11 . 1 1 6 6 GLU C C 6 173.693 173.693 175.033 -1.340 19637 8152 1 11 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.773 0.245 19637 8153 1 11 . 1 1 6 6 GLU CB C 6 31.188 31.188 29.618 1.570 19637 8154 1 11 . 1 1 6 6 GLU H H 6 7.955 7.955 7.815 0.140 19637 8155 1 11 . 1 1 7 7 PHE N N 7 124.802 124.802 126.509 -1.707 19637 8156 1 11 . 1 1 7 7 PHE C C 7 174.039 174.039 173.881 0.158 19637 8157 1 11 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.670 -2.337 19637 8158 1 11 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.999 -0.258 19637 8159 1 11 . 1 1 7 7 PHE H H 7 8.648 8.648 8.388 0.260 19637 8160 1 11 . 1 1 8 8 PHE N N 8 121.132 121.132 126.859 -5.727 19637 8161 1 11 . 1 1 8 8 PHE C C 8 171.861 171.861 174.690 -2.829 19637 8162 1 11 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.513 -1.964 19637 8163 1 11 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.371 -2.694 19637 8164 1 11 . 1 1 8 8 PHE H H 8 8.574 8.574 8.401 0.173 19637 8165 1 11 . 1 1 9 9 MET N N 9 120.391 120.391 120.038 0.353 19637 8166 1 11 . 1 1 9 9 MET C C 9 174.166 174.166 174.491 -0.325 19637 8167 1 11 . 1 1 9 9 MET CA C 9 52.199 52.199 54.982 -2.783 19637 8168 1 11 . 1 1 9 9 MET CB C 9 37.307 37.307 37.065 0.242 19637 8169 1 11 . 1 1 9 9 MET H H 9 8.541 8.541 9.755 -1.214 19637 8170 1 11 . 1 1 10 10 ARG N N 10 117.892 117.892 121.678 -3.786 19637 8171 1 11 . 1 1 10 10 ARG C C 10 175.289 175.289 173.775 1.514 19637 8172 1 11 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.447 -1.001 19637 8173 1 11 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.595 -3.229 19637 8174 1 11 . 1 1 10 10 ARG H H 10 8.357 8.357 8.819 -0.462 19637 8175 1 11 . 1 1 11 11 ALA N N 11 119.664 119.664 122.633 -2.969 19637 8176 1 11 . 1 1 11 11 ALA C C 11 176.057 176.057 175.954 0.103 19637 8177 1 11 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.828 -2.196 19637 8178 1 11 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.485 1.033 19637 8179 1 11 . 1 1 11 11 ALA H H 11 9.154 9.154 8.262 0.892 19637 8180 1 11 . 1 1 12 12 GLY N N 12 106.262 106.262 104.954 1.308 19637 8181 1 11 . 1 1 12 12 GLY C C 12 172.068 172.068 172.874 -0.806 19637 8182 1 11 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.487 0.662 19637 8183 1 11 . 1 1 12 12 GLY H H 12 8.655 8.655 7.954 0.701 19637 8184 1 11 . 1 1 13 13 SER N N 13 116.893 116.893 119.975 -3.082 19637 8185 1 11 . 1 1 13 13 SER C C 13 173.604 173.604 172.762 0.842 19637 8186 1 11 . 1 1 13 13 SER CA C 13 56.367 56.367 57.113 -0.746 19637 8187 1 11 . 1 1 13 13 SER CB C 13 64.087 64.087 63.271 0.816 19637 8188 1 11 . 1 1 13 13 SER H H 13 8.644 8.644 8.452 0.192 19637 8189 1 11 . 1 1 14 14 ALA N N 14 125.234 125.234 127.954 -2.720 19637 8190 1 11 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.272 -0.645 19637 8191 1 11 . 1 1 14 14 ALA CB C 14 18.330 18.330 20.581 -2.251 19637 8192 1 11 . 1 1 14 14 ALA H H 14 9.120 9.120 7.837 1.283 19637 8193 1 11 . 1 1 15 15 THR N N 15 121.303 121.303 120.974 0.329 19637 8194 1 11 . 1 1 15 15 THR C C 15 175.230 175.230 174.036 1.194 19637 8195 1 11 . 1 1 15 15 THR CA C 15 60.895 60.895 60.572 0.323 19637 8196 1 11 . 1 1 15 15 THR CB C 15 70.029 70.029 69.114 0.915 19637 8197 1 11 . 1 1 15 15 THR H H 15 9.351 9.351 8.256 1.095 19637 8198 1 11 . 1 1 16 16 VAL N N 16 126.781 126.781 121.771 5.010 19637 8199 1 11 . 1 1 16 16 VAL C C 16 174.432 174.432 175.279 -0.847 19637 8200 1 11 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.151 -1.345 19637 8201 1 11 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.299 -1.377 19637 8202 1 11 . 1 1 16 16 VAL H H 16 9.110 9.110 8.547 0.563 19637 8203 1 11 . 1 1 17 17 ARG N N 17 129.806 129.806 126.963 2.843 19637 8204 1 11 . 1 1 17 17 ARG C C 17 173.440 173.440 174.428 -0.988 19637 8205 1 11 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.501 -1.094 19637 8206 1 11 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.299 0.003 19637 8207 1 11 . 1 1 17 17 ARG H H 17 9.325 9.325 7.865 1.460 19637 8208 1 11 . 1 1 19 19 THR N N 19 114.402 114.402 109.915 4.487 19637 8209 1 11 . 1 1 19 19 THR CA C 19 61.022 61.022 61.930 -0.908 19637 8210 1 11 . 1 1 19 19 THR CB C 19 69.142 69.142 69.893 -0.751 19637 8211 1 11 . 1 1 19 19 THR H H 19 8.021 8.021 7.408 0.613 19637 8212 1 11 . 1 1 20 20 GLU N N 20 123.598 123.598 122.820 0.778 19637 8213 1 11 . 1 1 20 20 GLU C C 20 177.007 177.007 175.279 1.728 19637 8214 1 11 . 1 1 20 20 GLU CA C 20 55.480 55.480 55.326 0.154 19637 8215 1 11 . 1 1 20 20 GLU CB C 20 28.794 28.794 28.837 -0.043 19637 8216 1 11 . 1 1 20 20 GLU H H 20 8.601 8.601 8.482 0.119 19637 8217 1 11 . 1 1 21 21 GLY N N 21 110.237 110.237 107.005 3.232 19637 8218 1 11 . 1 1 21 21 GLY C C 21 174.077 174.077 172.811 1.266 19637 8219 1 11 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.370 -0.709 19637 8220 1 11 . 1 1 21 21 GLY H H 21 8.530 8.530 7.522 1.008 19637 8221 1 11 . 1 1 22 22 ALA N N 22 123.476 123.476 123.990 -0.514 19637 8222 1 11 . 1 1 22 22 ALA C C 22 178.158 178.158 175.837 2.321 19637 8223 1 11 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.389 0.366 19637 8224 1 11 . 1 1 22 22 ALA CB C 22 17.778 17.778 20.055 -2.277 19637 8225 1 11 . 1 1 22 22 ALA H H 22 8.279 8.279 8.197 0.082 19637 8226 1 11 . 1 1 23 23 GLY N N 23 107.265 107.265 110.158 -2.893 19637 8227 1 11 . 1 1 23 23 GLY C C 23 174.727 174.727 173.174 1.553 19637 8228 1 11 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.632 -1.192 19637 8229 1 11 . 1 1 23 23 GLY H H 23 8.452 8.452 7.858 0.594 19637 8230 1 11 . 1 1 24 24 GLY N N 24 108.306 108.306 111.004 -2.698 19637 8231 1 11 . 1 1 24 24 GLY C C 24 174.786 174.786 173.128 1.658 19637 8232 1 11 . 1 1 24 24 GLY CA C 24 44.440 44.440 43.953 0.487 19637 8233 1 11 . 1 1 24 24 GLY H H 24 8.221 8.221 7.850 0.371 19637 8234 1 11 . 1 1 25 25 THR N N 25 114.381 114.381 119.693 -5.312 19637 8235 1 11 . 1 1 25 25 THR C C 25 175.170 175.170 172.645 2.525 19637 8236 1 11 . 1 1 25 25 THR CA C 25 61.599 61.599 62.086 -0.487 19637 8237 1 11 . 1 1 25 25 THR CB C 25 68.521 68.521 67.461 1.060 19637 8238 1 11 . 1 1 25 25 THR H H 25 8.213 8.213 8.310 -0.097 19637 8239 1 11 . 1 1 26 26 LEU N N 26 123.038 123.038 121.471 1.567 19637 8240 1 11 . 1 1 26 26 LEU C C 26 177.918 177.918 176.467 1.451 19637 8241 1 11 . 1 1 26 26 LEU CA C 26 54.682 54.682 53.932 0.750 19637 8242 1 11 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.047 -1.902 19637 8243 1 11 . 1 1 26 26 LEU H H 26 8.425 8.425 7.529 0.896 19637 8244 1 11 . 1 1 27 27 GLY N N 27 108.786 108.786 108.258 0.528 19637 8245 1 11 . 1 1 27 27 GLY C C 27 175.023 175.023 174.348 0.675 19637 8246 1 11 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.119 0.720 19637 8247 1 11 . 1 1 27 27 GLY H H 27 8.260 8.260 7.361 0.899 19637 8248 1 11 . 1 1 28 28 SER N N 28 116.175 116.175 115.681 0.494 19637 8249 1 11 . 1 1 28 28 SER CA C 28 58.140 58.140 59.509 -1.369 19637 8250 1 11 . 1 1 28 28 SER CB C 28 62.846 62.846 63.757 -0.911 19637 8251 1 11 . 1 1 28 28 SER H H 28 8.330 8.330 8.505 -0.175 19637 8252 1 11 . 1 1 29 29 LEU N N 29 122.260 122.260 120.479 1.781 19637 8253 1 11 . 1 1 29 29 LEU C C 29 177.512 177.512 175.820 1.692 19637 8254 1 11 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.269 -0.853 19637 8255 1 11 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.817 -2.495 19637 8256 1 11 . 1 1 29 29 LEU H H 29 8.157 8.157 7.625 0.532 19637 8257 1 11 . 1 1 30 30 GLY N N 30 107.575 107.575 106.009 1.566 19637 8258 1 11 . 1 1 30 30 GLY C C 30 174.225 174.225 173.808 0.417 19637 8259 1 11 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.813 -0.285 19637 8260 1 11 . 1 1 30 30 GLY H H 30 8.144 8.144 8.042 0.102 19637 8261 1 11 . 1 1 31 31 GLY N N 31 107.996 107.996 107.568 0.428 19637 8262 1 11 . 1 1 31 31 GLY C C 31 173.664 173.664 173.044 0.620 19637 8263 1 11 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.228 -0.010 19637 8264 1 11 . 1 1 31 31 GLY H H 31 8.044 8.044 7.809 0.235 19637 8265 1 11 . 1 1 32 32 PHE N N 32 119.248 119.248 120.223 -0.975 19637 8266 1 11 . 1 1 32 32 PHE C C 32 175.495 175.495 174.496 0.999 19637 8267 1 11 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.567 -1.194 19637 8268 1 11 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.215 -1.957 19637 8269 1 11 . 1 1 32 32 PHE H H 32 8.181 8.181 8.289 -0.108 19637 8270 1 11 . 1 1 33 33 SER N N 33 117.720 117.720 118.432 -0.712 19637 8271 1 11 . 1 1 33 33 SER C C 33 173.368 173.368 171.843 1.525 19637 8272 1 11 . 1 1 33 33 SER CA C 33 55.746 55.746 57.839 -2.093 19637 8273 1 11 . 1 1 33 33 SER CB C 33 64.265 64.265 65.289 -1.024 19637 8274 1 11 . 1 1 33 33 SER H H 33 8.771 8.771 8.729 0.042 19637 8275 1 11 . 1 1 34 34 VAL N N 34 123.007 123.007 115.411 7.596 19637 8276 1 11 . 1 1 34 34 VAL CA C 34 59.426 59.426 59.851 -0.425 19637 8277 1 11 . 1 1 34 34 VAL CB C 34 32.785 32.785 36.057 -3.272 19637 8278 1 11 . 1 1 34 34 VAL H H 34 8.525 8.525 8.270 0.255 19637 8279 1 11 . 1 1 35 35 THR N N 35 115.459 115.459 114.943 0.516 19637 8280 1 11 . 1 1 35 35 THR CA C 35 61.200 61.200 59.233 1.967 19637 8281 1 11 . 1 1 35 35 THR CB C 35 69.851 69.851 70.228 -0.377 19637 8282 1 11 . 1 1 35 35 THR H H 35 8.147 8.147 8.597 -0.450 19637 8283 1 11 . 1 1 36 36 ASN N N 36 118.274 118.274 124.024 -5.750 19637 8284 1 11 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.574 -1.167 19637 8285 1 11 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.565 -1.460 19637 8286 1 11 . 1 1 36 36 ASN H H 36 8.719 8.719 8.300 0.419 19637 8287 1 11 . 1 1 37 37 ASN N N 37 115.657 115.657 115.286 0.371 19637 8288 1 11 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.977 1.888 19637 8289 1 11 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.869 2.443 19637 8290 1 11 . 1 1 37 37 ASN H H 37 8.432 8.432 8.448 -0.016 19637 8291 1 11 . 1 1 38 38 THR N N 38 122.444 122.444 113.674 8.770 19637 8292 1 11 . 1 1 38 38 THR CA C 38 61.288 61.288 61.644 -0.356 19637 8293 1 11 . 1 1 38 38 THR CB C 38 69.142 69.142 69.548 -0.406 19637 8294 1 11 . 1 1 38 38 THR H H 38 8.095 8.095 8.448 -0.353 19637 8295 1 11 . 1 1 40 40 LEU N N 40 120.457 120.457 121.509 -1.052 19637 8296 1 11 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.007 0.320 19637 8297 1 11 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.125 -0.907 19637 8298 1 11 . 1 1 40 40 LEU H H 40 6.902 6.902 8.430 -1.528 19637 8299 1 11 . 1 1 41 41 GLY N N 41 111.223 111.223 110.623 0.600 19637 8300 1 11 . 1 1 41 41 GLY C C 41 171.034 171.034 172.586 -1.552 19637 8301 1 11 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.427 -0.584 19637 8302 1 11 . 1 1 41 41 GLY H H 41 8.978 8.978 8.392 0.586 19637 8303 1 11 . 1 1 42 42 LEU N N 42 122.123 122.123 117.034 5.089 19637 8304 1 11 . 1 1 42 42 LEU C C 42 175.350 175.350 173.948 1.402 19637 8305 1 11 . 1 1 42 42 LEU CA C 42 52.155 52.155 55.221 -3.066 19637 8306 1 11 . 1 1 42 42 LEU CB C 42 45.377 45.377 47.211 -1.834 19637 8307 1 11 . 1 1 42 42 LEU H H 42 8.679 8.679 8.736 -0.057 19637 8308 1 11 . 1 1 43 43 THR N N 43 109.917 109.917 115.789 -5.872 19637 8309 1 11 . 1 1 43 43 THR C C 43 173.516 173.516 172.894 0.622 19637 8310 1 11 . 1 1 43 43 THR CA C 43 58.057 58.057 59.236 -1.179 19637 8311 1 11 . 1 1 43 43 THR CB C 43 70.029 70.029 70.787 -0.758 19637 8312 1 11 . 1 1 43 43 THR H H 43 8.792 8.792 8.718 0.074 19637 8313 1 11 . 1 1 44 44 PHE N N 44 118.699 118.699 127.436 -8.737 19637 8314 1 11 . 1 1 44 44 PHE C C 44 173.917 173.917 175.162 -1.245 19637 8315 1 11 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.614 -0.133 19637 8316 1 11 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.562 -0.797 19637 8317 1 11 . 1 1 44 44 PHE H H 44 8.566 8.566 8.483 0.083 19637 8318 1 11 . 1 1 45 45 THR N N 45 118.229 118.229 118.763 -0.534 19637 8319 1 11 . 1 1 45 45 THR C C 45 170.886 170.886 172.913 -2.027 19637 8320 1 11 . 1 1 45 45 THR CA C 45 60.097 60.097 60.884 -0.787 19637 8321 1 11 . 1 1 45 45 THR CB C 45 68.433 68.433 70.650 -2.217 19637 8322 1 11 . 1 1 45 45 THR H H 45 7.903 7.903 9.222 -1.319 19637 8323 1 11 . 1 1 46 46 TYR N N 46 124.450 124.450 127.931 -3.481 19637 8324 1 11 . 1 1 46 46 TYR C C 46 174.254 174.254 173.975 0.279 19637 8325 1 11 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.237 -2.087 19637 8326 1 11 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.884 1.389 19637 8327 1 11 . 1 1 46 46 TYR H H 46 8.941 8.941 8.646 0.295 19637 8328 1 11 . 1 1 47 47 MET N N 47 123.598 123.598 128.481 -4.883 19637 8329 1 11 . 1 1 47 47 MET C C 47 175.082 175.082 175.246 -0.164 19637 8330 1 11 . 1 1 47 47 MET CA C 47 50.425 50.425 53.275 -2.850 19637 8331 1 11 . 1 1 47 47 MET CB C 47 26.222 26.222 30.102 -3.880 19637 8332 1 11 . 1 1 47 47 MET H H 47 7.798 7.798 7.675 0.123 19637 8333 1 11 . 1 1 48 48 ALA N N 48 129.975 129.975 130.834 -0.859 19637 8334 1 11 . 1 1 48 48 ALA C C 48 178.568 178.568 177.885 0.683 19637 8335 1 11 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.930 -1.625 19637 8336 1 11 . 1 1 48 48 ALA CB C 48 17.712 17.712 18.990 -1.278 19637 8337 1 11 . 1 1 48 48 ALA H H 48 8.717 8.717 8.594 0.123 19637 8338 1 11 . 1 1 49 49 THR N N 49 106.011 106.011 110.188 -4.177 19637 8339 1 11 . 1 1 49 49 THR C C 49 171.950 171.950 172.677 -0.727 19637 8340 1 11 . 1 1 49 49 THR CA C 49 57.786 57.786 62.913 -5.128 19637 8341 1 11 . 1 1 49 49 THR CB C 49 70.535 70.535 68.020 2.515 19637 8342 1 11 . 1 1 49 49 THR H H 49 8.072 8.072 8.167 -0.095 19637 8343 1 11 . 1 1 50 50 ASP N N 50 114.062 114.062 123.041 -8.979 19637 8344 1 11 . 1 1 50 50 ASP C C 50 175.318 175.318 175.117 0.201 19637 8345 1 11 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.808 -0.032 19637 8346 1 11 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.774 -0.984 19637 8347 1 11 . 1 1 50 50 ASP H H 50 8.390 8.390 8.237 0.153 19637 8348 1 11 . 1 1 51 51 ASN N N 51 111.850 111.850 113.523 -1.673 19637 8349 1 11 . 1 1 51 51 ASN C C 51 171.684 171.684 173.435 -1.751 19637 8350 1 11 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.239 0.177 19637 8351 1 11 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.007 2.226 19637 8352 1 11 . 1 1 51 51 ASN H H 51 7.887 7.887 8.486 -0.599 19637 8353 1 11 . 1 1 52 52 ILE N N 52 118.929 118.929 111.865 7.064 19637 8354 1 11 . 1 1 52 52 ILE C C 52 175.495 175.495 174.868 0.627 19637 8355 1 11 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.130 0.517 19637 8356 1 11 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.627 -3.143 19637 8357 1 11 . 1 1 52 52 ILE H H 52 7.707 7.707 7.449 0.258 19637 8358 1 11 . 1 1 53 53 GLY N N 53 114.998 114.998 112.180 2.818 19637 8359 1 11 . 1 1 53 53 GLY C C 53 171.536 171.536 171.758 -0.222 19637 8360 1 11 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.410 -0.478 19637 8361 1 11 . 1 1 53 53 GLY H H 53 8.678 8.678 8.834 -0.156 19637 8362 1 11 . 1 1 54 54 VAL N N 54 118.327 118.327 120.546 -2.219 19637 8363 1 11 . 1 1 54 54 VAL C C 54 173.309 173.309 174.178 -0.869 19637 8364 1 11 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.257 -1.609 19637 8365 1 11 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.180 -1.307 19637 8366 1 11 . 1 1 54 54 VAL H H 54 8.734 8.734 8.487 0.247 19637 8367 1 11 . 1 1 55 55 GLU N N 55 126.907 126.907 130.505 -3.598 19637 8368 1 11 . 1 1 55 55 GLU C C 55 173.575 173.575 174.747 -1.172 19637 8369 1 11 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.674 -1.405 19637 8370 1 11 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.197 2.530 19637 8371 1 11 . 1 1 55 55 GLU H H 55 9.084 9.084 8.746 0.338 19637 8372 1 11 . 1 1 56 56 LEU N N 56 126.739 126.739 127.906 -1.167 19637 8373 1 11 . 1 1 56 56 LEU C C 56 174.786 174.786 174.837 -0.051 19637 8374 1 11 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.395 -2.462 19637 8375 1 11 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.987 1.035 19637 8376 1 11 . 1 1 56 56 LEU H H 56 9.168 9.168 9.140 0.028 19637 8377 1 11 . 1 1 57 57 LEU N N 57 127.189 127.189 128.506 -1.317 19637 8378 1 11 . 1 1 57 57 LEU C C 57 174.579 174.579 175.071 -0.492 19637 8379 1 11 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.235 -1.144 19637 8380 1 11 . 1 1 57 57 LEU CB C 57 43.160 43.160 42.178 0.981 19637 8381 1 11 . 1 1 57 57 LEU H H 57 9.174 9.174 8.789 0.385 19637 8382 1 11 . 1 1 58 58 ALA N N 58 125.061 125.061 125.651 -0.590 19637 8383 1 11 . 1 1 58 58 ALA C C 58 172.925 172.925 175.116 -2.191 19637 8384 1 11 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.469 -1.545 19637 8385 1 11 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.899 -1.820 19637 8386 1 11 . 1 1 58 58 ALA H H 58 9.435 9.435 8.281 1.154 19637 8387 1 11 . 1 1 59 59 ALA N N 59 116.911 116.911 120.182 -3.271 19637 8388 1 11 . 1 1 59 59 ALA C C 59 176.248 176.248 176.791 -0.543 19637 8389 1 11 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.740 -1.669 19637 8390 1 11 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.479 -1.820 19637 8391 1 11 . 1 1 59 59 ALA H H 59 6.833 6.833 7.945 -1.112 19637 8392 1 11 . 1 1 60 60 THR N N 60 105.771 105.771 113.272 -7.501 19637 8393 1 11 . 1 1 60 60 THR C C 60 170.975 170.975 173.626 -2.651 19637 8394 1 11 . 1 1 60 60 THR CA C 60 59.515 59.515 63.844 -4.329 19637 8395 1 11 . 1 1 60 60 THR CB C 60 63.487 63.487 67.118 -3.631 19637 8396 1 11 . 1 1 60 60 THR H H 60 7.718 7.718 8.550 -0.832 19637 8397 1 11 . 1 1 62 62 PHE N N 62 122.473 122.473 120.708 1.765 19637 8398 1 11 . 1 1 62 62 PHE C C 62 174.934 174.934 173.814 1.120 19637 8399 1 11 . 1 1 62 62 PHE CA C 62 56.721 56.721 55.528 1.193 19637 8400 1 11 . 1 1 62 62 PHE CB C 62 39.613 39.613 41.076 -1.463 19637 8401 1 11 . 1 1 62 62 PHE H H 62 8.251 8.251 8.194 0.057 19637 8402 1 11 . 1 1 63 63 ARG N N 63 118.016 118.016 124.419 -6.403 19637 8403 1 11 . 1 1 63 63 ARG C C 63 174.423 174.423 173.704 0.719 19637 8404 1 11 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.020 -2.372 19637 8405 1 11 . 1 1 63 63 ARG CB C 63 31.898 31.898 34.731 -2.833 19637 8406 1 11 . 1 1 63 63 ARG H H 63 7.378 7.378 8.385 -1.007 19637 8407 1 11 . 1 1 64 64 HIS N N 64 120.040 120.040 115.234 4.806 19637 8408 1 11 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.116 -2.163 19637 8409 1 11 . 1 1 64 64 HIS H H 64 8.588 8.588 8.409 0.179 19637 8410 1 11 . 1 1 66 66 ILE N N 66 122.668 122.668 117.580 5.088 19637 8411 1 11 . 1 1 66 66 ILE C C 66 175.141 175.141 175.168 -0.027 19637 8412 1 11 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.333 -1.369 19637 8413 1 11 . 1 1 66 66 ILE CB C 66 38.637 38.637 43.201 -4.564 19637 8414 1 11 . 1 1 66 66 ILE H H 66 8.726 8.726 8.301 0.425 19637 8415 1 11 . 1 1 67 67 GLY N N 67 114.948 114.948 108.575 6.373 19637 8416 1 11 . 1 1 67 67 GLY C C 67 172.570 172.570 172.707 -0.137 19637 8417 1 11 . 1 1 67 67 GLY CA C 67 44.129 44.129 43.930 0.199 19637 8418 1 11 . 1 1 67 67 GLY H H 67 8.780 8.780 8.405 0.375 19637 8419 1 11 . 1 1 68 68 THR N N 68 106.079 106.079 114.120 -8.041 19637 8420 1 11 . 1 1 68 68 THR C C 68 175.574 175.574 173.861 1.713 19637 8421 1 11 . 1 1 68 68 THR CA C 68 58.672 58.672 60.368 -1.696 19637 8422 1 11 . 1 1 68 68 THR CB C 68 71.270 71.270 71.660 -0.390 19637 8423 1 11 . 1 1 68 68 THR H H 68 7.431 7.431 8.269 -0.838 19637 8424 1 11 . 1 1 69 69 ARG N N 69 122.303 122.303 120.634 1.669 19637 8425 1 11 . 1 1 69 69 ARG C C 69 178.298 178.298 176.895 1.403 19637 8426 1 11 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.327 0.902 19637 8427 1 11 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.538 -2.365 19637 8428 1 11 . 1 1 69 69 ARG H H 69 8.783 8.783 8.570 0.213 19637 8429 1 11 . 1 1 70 70 ALA N N 70 117.681 117.681 122.459 -4.778 19637 8430 1 11 . 1 1 70 70 ALA C C 70 179.281 179.281 178.070 1.211 19637 8431 1 11 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.791 -1.522 19637 8432 1 11 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.752 -0.777 19637 8433 1 11 . 1 1 70 70 ALA H H 70 8.262 8.262 8.720 -0.458 19637 8434 1 11 . 1 1 71 71 THR N N 71 105.486 105.486 111.408 -5.922 19637 8435 1 11 . 1 1 71 71 THR C C 71 176.136 176.136 175.216 0.920 19637 8436 1 11 . 1 1 71 71 THR CA C 71 60.895 60.895 63.425 -2.530 19637 8437 1 11 . 1 1 71 71 THR CB C 71 70.383 70.383 69.134 1.249 19637 8438 1 11 . 1 1 71 71 THR H H 71 7.473 7.473 7.722 -0.249 19637 8439 1 11 . 1 1 72 72 GLY N N 72 111.099 111.099 110.312 0.787 19637 8440 1 11 . 1 1 72 72 GLY C C 72 175.052 175.052 174.011 1.041 19637 8441 1 11 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.033 -0.987 19637 8442 1 11 . 1 1 72 72 GLY H H 72 8.194 8.194 7.504 0.690 19637 8443 1 11 . 1 1 73 73 ASP N N 73 121.919 121.919 124.037 -2.118 19637 8444 1 11 . 1 1 73 73 ASP C C 73 177.889 177.889 176.905 0.984 19637 8445 1 11 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.645 -1.603 19637 8446 1 11 . 1 1 73 73 ASP CB C 73 39.524 39.524 41.285 -1.760 19637 8447 1 11 . 1 1 73 73 ASP H H 73 8.668 8.668 8.188 0.480 19637 8448 1 11 . 1 1 74 74 ILE N N 74 117.113 117.113 116.696 0.417 19637 8449 1 11 . 1 1 74 74 ILE C C 74 175.013 175.013 174.522 0.491 19637 8450 1 11 . 1 1 74 74 ILE CA C 74 59.914 59.914 58.611 1.302 19637 8451 1 11 . 1 1 74 74 ILE CB C 74 41.297 41.297 39.153 2.144 19637 8452 1 11 . 1 1 74 74 ILE H H 74 9.327 9.327 7.577 1.750 19637 8453 1 11 . 1 1 75 75 ALA N N 75 121.329 121.329 120.924 0.405 19637 8454 1 11 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.823 -0.398 19637 8455 1 11 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.430 0.093 19637 8456 1 11 . 1 1 75 75 ALA H H 75 8.086 8.086 7.896 0.190 19637 8457 1 11 . 1 1 76 76 THR N N 76 116.168 116.168 115.497 0.671 19637 8458 1 11 . 1 1 76 76 THR C C 76 173.043 173.043 174.104 -1.061 19637 8459 1 11 . 1 1 76 76 THR CA C 76 60.540 60.540 64.047 -3.507 19637 8460 1 11 . 1 1 76 76 THR CB C 76 69.674 69.674 68.974 0.700 19637 8461 1 11 . 1 1 76 76 THR H H 76 8.539 8.539 8.348 0.191 19637 8462 1 11 . 1 1 77 77 VAL N N 77 117.996 117.996 125.878 -7.882 19637 8463 1 11 . 1 1 77 77 VAL C C 77 174.964 174.964 175.480 -0.516 19637 8464 1 11 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.926 -2.578 19637 8465 1 11 . 1 1 77 77 VAL CB C 77 34.026 34.026 33.971 0.055 19637 8466 1 11 . 1 1 77 77 VAL H H 77 8.578 8.578 8.271 0.307 19637 8467 1 11 . 1 1 78 78 HIS N N 78 116.541 116.541 118.064 -1.523 19637 8468 1 11 . 1 1 78 78 HIS C C 78 173.634 173.634 174.582 -0.948 19637 8469 1 11 . 1 1 78 78 HIS CA C 78 52.825 52.825 56.865 -4.040 19637 8470 1 11 . 1 1 78 78 HIS CB C 78 29.947 29.947 30.838 -0.891 19637 8471 1 11 . 1 1 78 78 HIS H H 78 7.822 7.822 8.276 -0.454 19637 8472 1 11 . 1 1 79 79 HIS N N 79 113.176 113.176 116.003 -2.827 19637 8473 1 11 . 1 1 79 79 HIS C C 79 173.841 173.841 172.959 0.882 19637 8474 1 11 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.592 -1.176 19637 8475 1 11 . 1 1 79 79 HIS CB C 79 34.026 34.026 32.818 1.208 19637 8476 1 11 . 1 1 79 79 HIS H H 79 7.912 7.912 8.286 -0.374 19637 8477 1 11 . 1 1 80 80 LEU N N 80 118.153 118.153 125.834 -7.681 19637 8478 1 11 . 1 1 80 80 LEU C C 80 177.821 177.821 173.759 4.062 19637 8479 1 11 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.434 -2.275 19637 8480 1 11 . 1 1 80 80 LEU CB C 80 46.263 46.263 45.033 1.230 19637 8481 1 11 . 1 1 80 80 LEU H H 80 8.205 8.205 8.506 -0.301 19637 8482 1 11 . 1 1 83 83 THR N N 83 115.326 115.326 119.407 -4.081 19637 8483 1 11 . 1 1 83 83 THR C C 83 171.362 171.362 172.700 -1.338 19637 8484 1 11 . 1 1 83 83 THR CA C 83 60.540 60.540 60.155 0.385 19637 8485 1 11 . 1 1 83 83 THR CB C 83 72.068 72.068 71.940 0.128 19637 8486 1 11 . 1 1 83 83 THR H H 83 7.688 7.688 8.375 -0.687 19637 8487 1 11 . 1 1 84 84 LEU N N 84 129.848 129.848 124.196 5.652 19637 8488 1 11 . 1 1 84 84 LEU C C 84 174.373 174.373 174.775 -0.402 19637 8489 1 11 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.173 -1.752 19637 8490 1 11 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.602 0.154 19637 8491 1 11 . 1 1 84 84 LEU H H 84 9.013 9.013 8.829 0.184 19637 8492 1 11 . 1 1 85 85 MET N N 85 121.374 121.374 119.002 2.372 19637 8493 1 11 . 1 1 85 85 MET C C 85 175.407 175.407 174.331 1.076 19637 8494 1 11 . 1 1 85 85 MET CA C 85 52.421 52.421 53.712 -1.292 19637 8495 1 11 . 1 1 85 85 MET CB C 85 34.558 34.558 36.897 -2.339 19637 8496 1 11 . 1 1 85 85 MET H H 85 9.823 9.823 9.053 0.770 19637 8497 1 11 . 1 1 86 86 ALA N N 86 123.689 123.689 122.152 1.537 19637 8498 1 11 . 1 1 86 86 ALA C C 86 176.205 176.205 175.657 0.548 19637 8499 1 11 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.765 -0.960 19637 8500 1 11 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.802 -2.851 19637 8501 1 11 . 1 1 86 86 ALA H H 86 9.080 9.080 9.051 0.029 19637 8502 1 11 . 1 1 87 87 GLN N N 87 116.548 116.548 120.114 -3.566 19637 8503 1 11 . 1 1 87 87 GLN C C 87 175.495 175.495 174.077 1.418 19637 8504 1 11 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.184 -0.826 19637 8505 1 11 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.228 1.064 19637 8506 1 11 . 1 1 87 87 GLN H H 87 9.061 9.061 9.010 0.051 19637 8507 1 11 . 1 1 88 88 TRP N N 88 119.609 119.609 122.796 -3.187 19637 8508 1 11 . 1 1 88 88 TRP C C 88 174.727 174.727 174.058 0.669 19637 8509 1 11 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.822 -0.868 19637 8510 1 11 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.509 -1.030 19637 8511 1 11 . 1 1 88 88 TRP H H 88 8.893 8.893 8.761 0.132 19637 8512 1 11 . 1 1 89 89 TYR N N 89 124.849 124.849 117.198 7.651 19637 8513 1 11 . 1 1 89 89 TYR C C 89 176.382 176.382 175.285 1.097 19637 8514 1 11 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.883 -1.841 19637 8515 1 11 . 1 1 89 89 TYR H H 89 8.815 8.815 8.831 -0.016 19637 8516 1 11 . 1 1 90 90 PHE N N 90 122.137 122.137 125.852 -3.715 19637 8517 1 11 . 1 1 90 90 PHE C C 90 176.304 176.304 175.990 0.314 19637 8518 1 11 . 1 1 90 90 PHE CA C 90 57.821 57.821 59.060 -1.239 19637 8519 1 11 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.605 -1.145 19637 8520 1 11 . 1 1 90 90 PHE H H 90 9.171 9.171 8.586 0.585 19637 8521 1 11 . 1 1 91 91 GLY N N 91 108.961 108.961 107.116 1.845 19637 8522 1 11 . 1 1 91 91 GLY C C 91 172.748 172.748 173.285 -0.537 19637 8523 1 11 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.945 -0.614 19637 8524 1 11 . 1 1 91 91 GLY H H 91 9.342 9.342 8.087 1.255 19637 8525 1 11 . 1 1 92 92 ASP N N 92 119.869 119.869 122.833 -2.964 19637 8526 1 11 . 1 1 92 92 ASP C C 92 175.968 175.968 176.144 -0.176 19637 8527 1 11 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.108 -2.486 19637 8528 1 11 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.807 -0.244 19637 8529 1 11 . 1 1 92 92 ASP H H 92 8.612 8.612 8.351 0.261 19637 8530 1 11 . 1 1 93 93 ALA N N 93 117.665 117.665 121.690 -4.025 19637 8531 1 11 . 1 1 93 93 ALA C C 93 178.748 178.748 176.536 2.212 19637 8532 1 11 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.755 0.425 19637 8533 1 11 . 1 1 93 93 ALA CB C 93 16.911 16.911 17.869 -0.958 19637 8534 1 11 . 1 1 93 93 ALA H H 93 8.673 8.673 8.410 0.263 19637 8535 1 11 . 1 1 94 94 SER N N 94 115.062 115.062 114.971 0.091 19637 8536 1 11 . 1 1 94 94 SER C C 94 175.348 175.348 174.378 0.970 19637 8537 1 11 . 1 1 94 94 SER CA C 94 58.185 58.185 58.207 -0.022 19637 8538 1 11 . 1 1 94 94 SER CB C 94 62.757 62.757 63.536 -0.779 19637 8539 1 11 . 1 1 94 94 SER H H 94 8.902 8.902 8.177 0.725 19637 8540 1 11 . 1 1 95 95 SER N N 95 120.754 120.754 115.834 4.920 19637 8541 1 11 . 1 1 95 95 SER CA C 95 58.451 58.451 58.538 -0.087 19637 8542 1 11 . 1 1 95 95 SER CB C 95 62.580 62.580 63.331 -0.751 19637 8543 1 11 . 1 1 95 95 SER H H 95 7.922 7.922 7.698 0.224 19637 8544 1 11 . 1 1 96 96 LYS N N 96 120.924 120.924 117.707 3.217 19637 8545 1 11 . 1 1 96 96 LYS CA C 96 54.599 54.599 58.825 -4.226 19637 8546 1 11 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.629 -1.263 19637 8547 1 11 . 1 1 96 96 LYS H H 96 8.555 8.555 8.719 -0.164 19637 8548 1 11 . 1 1 97 97 PHE N N 97 117.773 117.773 116.844 0.929 19637 8549 1 11 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.552 -1.864 19637 8550 1 11 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.834 -0.513 19637 8551 1 11 . 1 1 97 97 PHE H H 97 7.596 7.596 7.752 -0.156 19637 8552 1 11 . 1 1 98 98 ARG N N 98 120.982 120.982 120.678 0.304 19637 8553 1 11 . 1 1 98 98 ARG C C 98 173.047 173.047 173.340 -0.293 19637 8554 1 11 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.739 -0.268 19637 8555 1 11 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.141 0.491 19637 8556 1 11 . 1 1 98 98 ARG H H 98 8.823 8.823 8.939 -0.116 19637 8557 1 11 . 1 1 100 100 TYR N N 100 117.775 117.775 112.252 5.523 19637 8558 1 11 . 1 1 100 100 TYR C C 100 173.047 173.047 173.118 -0.071 19637 8559 1 11 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.734 -1.780 19637 8560 1 11 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.180 0.344 19637 8561 1 11 . 1 1 100 100 TYR H H 100 8.885 8.885 7.962 0.923 19637 8562 1 11 . 1 1 101 101 VAL N N 101 111.744 111.744 123.782 -12.038 19637 8563 1 11 . 1 1 101 101 VAL C C 101 173.457 173.457 175.315 -1.858 19637 8564 1 11 . 1 1 101 101 VAL CA C 101 57.105 57.105 62.043 -4.938 19637 8565 1 11 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.634 2.747 19637 8566 1 11 . 1 1 101 101 VAL H H 101 8.365 8.365 8.329 0.036 19637 8567 1 11 . 1 1 102 102 GLY N N 102 108.300 108.300 111.681 -3.381 19637 8568 1 11 . 1 1 102 102 GLY C C 102 171.241 171.241 171.487 -0.246 19637 8569 1 11 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.791 1.181 19637 8570 1 11 . 1 1 102 102 GLY H H 102 8.271 8.271 8.692 -0.421 19637 8571 1 11 . 1 1 103 103 ALA N N 103 120.836 120.836 121.748 -0.912 19637 8572 1 11 . 1 1 103 103 ALA C C 103 175.614 175.614 175.235 0.379 19637 8573 1 11 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.078 -2.245 19637 8574 1 11 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.738 -0.019 19637 8575 1 11 . 1 1 103 103 ALA H H 103 9.048 9.048 8.558 0.490 19637 8576 1 11 . 1 1 104 104 GLY N N 104 107.477 107.477 107.250 0.227 19637 8577 1 11 . 1 1 104 104 GLY C C 104 171.832 171.832 172.510 -0.678 19637 8578 1 11 . 1 1 104 104 GLY CA C 104 46.479 46.479 45.975 0.504 19637 8579 1 11 . 1 1 104 104 GLY H H 104 8.661 8.661 8.147 0.514 19637 8580 1 11 . 1 1 105 105 ILE N N 105 118.575 118.575 118.227 0.348 19637 8581 1 11 . 1 1 105 105 ILE C C 105 172.275 172.275 173.210 -0.935 19637 8582 1 11 . 1 1 105 105 ILE CA C 105 57.348 57.348 59.109 -1.761 19637 8583 1 11 . 1 1 105 105 ILE CB C 105 41.652 41.652 39.050 2.602 19637 8584 1 11 . 1 1 105 105 ILE H H 105 9.020 9.020 8.326 0.694 19637 8585 1 11 . 1 1 106 106 ASN N N 106 123.879 123.879 125.153 -1.274 19637 8586 1 11 . 1 1 106 106 ASN C C 106 171.418 171.418 173.269 -1.851 19637 8587 1 11 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.813 -0.229 19637 8588 1 11 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.701 0.153 19637 8589 1 11 . 1 1 106 106 ASN H H 106 9.659 9.659 8.177 1.482 19637 8590 1 11 . 1 1 107 107 TYR N N 107 125.744 125.744 125.724 0.020 19637 8591 1 11 . 1 1 107 107 TYR C C 107 173.073 173.073 176.108 -3.035 19637 8592 1 11 . 1 1 107 107 TYR CA C 107 54.504 54.504 55.445 -0.941 19637 8593 1 11 . 1 1 107 107 TYR CB C 107 40.854 40.854 41.362 -0.508 19637 8594 1 11 . 1 1 107 107 TYR H H 107 8.273 8.273 7.963 0.310 19637 8595 1 11 . 1 1 108 108 THR N N 108 119.337 119.337 119.734 -0.397 19637 8596 1 11 . 1 1 108 108 THR C C 108 172.457 172.457 174.017 -1.560 19637 8597 1 11 . 1 1 108 108 THR CA C 108 60.452 60.452 61.143 -0.691 19637 8598 1 11 . 1 1 108 108 THR CB C 108 69.319 69.319 71.173 -1.854 19637 8599 1 11 . 1 1 108 108 THR H H 108 8.446 8.446 9.144 -0.698 19637 8600 1 11 . 1 1 109 109 THR N N 109 118.655 118.655 117.968 0.687 19637 8601 1 11 . 1 1 109 109 THR C C 109 171.625 171.625 173.454 -1.829 19637 8602 1 11 . 1 1 109 109 THR CA C 109 56.810 56.810 60.104 -3.294 19637 8603 1 11 . 1 1 109 109 THR H H 109 7.548 7.548 8.447 -0.899 19637 8604 1 11 . 1 1 112 112 ASP N N 112 116.796 116.796 118.534 -1.738 19637 8605 1 11 . 1 1 112 112 ASP C C 112 175.490 175.490 177.798 -2.308 19637 8606 1 11 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.947 -1.063 19637 8607 1 11 . 1 1 112 112 ASP CB C 112 37.662 37.662 40.991 -3.329 19637 8608 1 11 . 1 1 112 112 ASP H H 112 8.995 8.995 8.458 0.537 19637 8609 1 11 . 1 1 113 113 ASN N N 113 117.801 117.801 119.108 -1.307 19637 8610 1 11 . 1 1 113 113 ASN C C 113 175.702 175.702 175.990 -0.288 19637 8611 1 11 . 1 1 113 113 ASN CA C 113 50.736 50.736 54.515 -3.779 19637 8612 1 11 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.275 -0.927 19637 8613 1 11 . 1 1 113 113 ASN H H 113 8.410 8.410 8.761 -0.351 19637 8614 1 11 . 1 1 114 114 GLY N N 114 107.744 107.744 105.439 2.305 19637 8615 1 11 . 1 1 114 114 GLY C C 114 171.979 171.979 172.398 -0.419 19637 8616 1 11 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.451 0.343 19637 8617 1 11 . 1 1 114 114 GLY H H 114 8.557 8.557 7.333 1.224 19637 8618 1 11 . 1 1 115 115 PHE N N 115 119.554 119.554 116.827 2.727 19637 8619 1 11 . 1 1 115 115 PHE C C 115 176.192 176.192 174.237 1.955 19637 8620 1 11 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.132 -1.642 19637 8621 1 11 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.776 0.305 19637 8622 1 11 . 1 1 115 115 PHE H H 115 8.607 8.607 8.428 0.179 19637 8623 1 11 . 1 1 116 116 ASN N N 116 120.356 120.356 117.646 2.710 19637 8624 1 11 . 1 1 116 116 ASN C C 116 175.407 175.407 175.302 0.105 19637 8625 1 11 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.730 -2.659 19637 8626 1 11 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.075 -4.034 19637 8627 1 11 . 1 1 116 116 ASN H H 116 8.240 8.240 8.619 -0.379 19637 8628 1 11 . 1 1 117 117 ASP N N 117 117.610 117.610 120.788 -3.178 19637 8629 1 11 . 1 1 117 117 ASP C C 117 178.298 178.298 177.480 0.818 19637 8630 1 11 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.035 -0.687 19637 8631 1 11 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.836 -2.288 19637 8632 1 11 . 1 1 117 117 ASP H H 117 8.460 8.460 8.792 -0.332 19637 8633 1 11 . 1 1 118 118 HIS N N 118 118.493 118.493 119.282 -0.789 19637 8634 1 11 . 1 1 118 118 HIS C C 118 177.821 177.821 177.136 0.685 19637 8635 1 11 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.950 -2.184 19637 8636 1 11 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.907 -3.180 19637 8637 1 11 . 1 1 118 118 HIS H H 118 8.185 8.185 8.486 -0.301 19637 8638 1 11 . 1 1 119 119 GLY N N 119 107.937 107.937 107.955 -0.018 19637 8639 1 11 . 1 1 119 119 GLY C C 119 175.082 175.082 176.387 -1.305 19637 8640 1 11 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.999 -0.387 19637 8641 1 11 . 1 1 119 119 GLY H H 119 8.788 8.788 8.852 -0.064 19637 8642 1 11 . 1 1 120 120 LYS N N 120 122.898 122.898 122.103 0.795 19637 8643 1 11 . 1 1 120 120 LYS C C 120 181.612 181.612 179.482 2.130 19637 8644 1 11 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.023 -0.306 19637 8645 1 11 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.098 -1.442 19637 8646 1 11 . 1 1 120 120 LYS H H 120 8.890 8.890 8.495 0.395 19637 8647 1 11 . 1 1 121 121 GLU N N 121 120.995 120.995 119.245 1.750 19637 8648 1 11 . 1 1 121 121 GLU C C 121 177.327 177.327 177.303 0.024 19637 8649 1 11 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.318 -0.665 19637 8650 1 11 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.209 -1.479 19637 8651 1 11 . 1 1 121 121 GLU H H 121 8.234 8.234 7.794 0.440 19637 8652 1 11 . 1 1 122 122 ALA N N 122 119.811 119.811 118.313 1.498 19637 8653 1 11 . 1 1 122 122 ALA C C 122 176.500 176.500 177.337 -0.837 19637 8654 1 11 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.025 0.017 19637 8655 1 11 . 1 1 122 122 ALA CB C 122 16.710 16.710 18.807 -2.097 19637 8656 1 11 . 1 1 122 122 ALA H H 122 7.259 7.259 7.250 0.009 19637 8657 1 11 . 1 1 123 123 GLY N N 123 103.863 103.863 107.852 -3.989 19637 8658 1 11 . 1 1 123 123 GLY C C 123 175.082 175.082 174.032 1.050 19637 8659 1 11 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.112 -1.848 19637 8660 1 11 . 1 1 123 123 GLY H H 123 7.745 7.745 7.673 0.072 19637 8661 1 11 . 1 1 124 124 LEU N N 124 123.722 123.722 119.351 4.371 19637 8662 1 11 . 1 1 124 124 LEU C C 124 176.293 176.293 175.447 0.846 19637 8663 1 11 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.720 -0.451 19637 8664 1 11 . 1 1 124 124 LEU CB C 124 38.016 38.016 45.713 -7.697 19637 8665 1 11 . 1 1 124 124 LEU H H 124 7.461 7.461 8.008 -0.547 19637 8666 1 11 . 1 1 125 125 SER N N 125 114.112 114.112 116.493 -2.381 19637 8667 1 11 . 1 1 125 125 SER C C 125 173.250 173.250 173.873 -0.623 19637 8668 1 11 . 1 1 125 125 SER CA C 125 57.259 57.259 56.889 0.370 19637 8669 1 11 . 1 1 125 125 SER CB C 125 65.684 65.684 64.072 1.612 19637 8670 1 11 . 1 1 125 125 SER H H 125 8.809 8.809 8.679 0.130 19637 8671 1 11 . 1 1 126 126 ASP N N 126 117.817 117.817 125.780 -7.963 19637 8672 1 11 . 1 1 126 126 ASP C C 126 174.107 174.107 176.166 -2.059 19637 8673 1 11 . 1 1 126 126 ASP CA C 126 54.593 54.593 57.847 -3.254 19637 8674 1 11 . 1 1 126 126 ASP CB C 126 38.726 38.726 41.319 -2.594 19637 8675 1 11 . 1 1 126 126 ASP H H 126 9.035 9.035 8.959 0.076 19637 8676 1 11 . 1 1 127 127 LEU N N 127 120.160 120.160 114.786 5.374 19637 8677 1 11 . 1 1 127 127 LEU C C 127 176.726 176.726 174.151 2.575 19637 8678 1 11 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.002 -0.631 19637 8679 1 11 . 1 1 127 127 LEU CB C 127 40.322 40.322 46.141 -5.819 19637 8680 1 11 . 1 1 127 127 LEU H H 127 8.109 8.109 7.705 0.404 19637 8681 1 11 . 1 1 128 128 SER N N 128 120.909 120.909 115.674 5.235 19637 8682 1 11 . 1 1 128 128 SER C C 128 172.038 172.038 172.721 -0.683 19637 8683 1 11 . 1 1 128 128 SER CA C 128 57.120 57.120 57.019 0.101 19637 8684 1 11 . 1 1 128 128 SER CB C 128 64.353 64.353 66.661 -2.308 19637 8685 1 11 . 1 1 128 128 SER H H 128 9.499 9.499 8.923 0.576 19637 8686 1 11 . 1 1 129 129 LEU N N 129 122.260 122.260 124.145 -1.885 19637 8687 1 11 . 1 1 129 129 LEU C C 129 176.411 176.411 175.556 0.855 19637 8688 1 11 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.105 -1.266 19637 8689 1 11 . 1 1 129 129 LEU CB C 129 42.539 42.539 46.809 -4.270 19637 8690 1 11 . 1 1 129 129 LEU H H 129 8.182 8.182 8.104 0.078 19637 8691 1 11 . 1 1 130 130 LYS N N 130 122.490 122.490 124.345 -1.855 19637 8692 1 11 . 1 1 130 130 LYS C C 130 176.754 176.754 175.827 0.927 19637 8693 1 11 . 1 1 130 130 LYS CA C 130 55.042 55.042 57.284 -2.242 19637 8694 1 11 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.347 -0.829 19637 8695 1 11 . 1 1 130 130 LYS H H 130 7.536 7.536 8.335 -0.799 19637 8696 1 11 . 1 1 131 131 ASP N N 131 123.217 123.217 117.912 5.305 19637 8697 1 11 . 1 1 131 131 ASP C C 131 175.998 175.998 174.799 1.199 19637 8698 1 11 . 1 1 131 131 ASP CA C 131 54.460 54.460 53.984 0.476 19637 8699 1 11 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.557 -0.324 19637 8700 1 11 . 1 1 131 131 ASP H H 131 8.782 8.782 8.132 0.650 19637 8701 1 11 . 1 1 132 132 SER N N 132 115.445 115.445 112.911 2.534 19637 8702 1 11 . 1 1 132 132 SER C C 132 171.920 171.920 172.575 -0.655 19637 8703 1 11 . 1 1 132 132 SER CA C 132 55.790 55.790 56.932 -1.142 19637 8704 1 11 . 1 1 132 132 SER CB C 132 64.087 64.087 65.432 -1.345 19637 8705 1 11 . 1 1 132 132 SER H H 132 9.016 9.016 7.594 1.422 19637 8706 1 11 . 1 1 133 133 TRP N N 133 124.389 124.389 125.115 -0.726 19637 8707 1 11 . 1 1 133 133 TRP C C 133 178.243 178.243 174.840 3.403 19637 8708 1 11 . 1 1 133 133 TRP CA C 133 55.309 55.309 55.879 -0.570 19637 8709 1 11 . 1 1 133 133 TRP CB C 133 31.401 31.401 32.365 -0.964 19637 8710 1 11 . 1 1 133 133 TRP H H 133 7.896 7.896 8.936 -1.040 19637 8711 1 11 . 1 1 134 134 GLY N N 134 107.658 107.658 107.893 -0.235 19637 8712 1 11 . 1 1 134 134 GLY C C 134 171.123 171.123 171.661 -0.538 19637 8713 1 11 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.681 0.069 19637 8714 1 11 . 1 1 134 134 GLY H H 134 8.896 8.896 9.025 -0.129 19637 8715 1 11 . 1 1 135 135 ALA N N 135 122.244 122.244 120.777 1.467 19637 8716 1 11 . 1 1 135 135 ALA C C 135 174.875 174.875 175.288 -0.413 19637 8717 1 11 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.698 0.443 19637 8718 1 11 . 1 1 135 135 ALA CB C 135 19.306 19.306 22.625 -3.319 19637 8719 1 11 . 1 1 135 135 ALA H H 135 8.946 8.946 8.207 0.739 19637 8720 1 11 . 1 1 136 136 ALA N N 136 118.579 118.579 121.996 -3.417 19637 8721 1 11 . 1 1 136 136 ALA C C 136 175.434 175.434 175.982 -0.548 19637 8722 1 11 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.160 -1.666 19637 8723 1 11 . 1 1 136 136 ALA CB C 136 23.207 23.207 20.446 2.761 19637 8724 1 11 . 1 1 136 136 ALA H H 136 8.111 8.111 8.090 0.021 19637 8725 1 11 . 1 1 137 137 GLY N N 137 105.005 105.005 109.577 -4.572 19637 8726 1 11 . 1 1 137 137 GLY C C 137 171.300 171.300 172.649 -1.349 19637 8727 1 11 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.345 -2.163 19637 8728 1 11 . 1 1 137 137 GLY H H 137 8.933 8.933 8.140 0.793 19637 8729 1 11 . 1 1 138 138 GLN N N 138 115.695 115.695 119.638 -3.943 19637 8730 1 11 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.012 -1.749 19637 8731 1 11 . 1 1 138 138 GLN H H 138 8.559 8.559 8.207 0.352 19637 8732 1 11 . 1 1 140 140 GLY N N 140 110.307 110.307 116.126 -5.819 19637 8733 1 11 . 1 1 140 140 GLY C C 140 171.329 171.329 172.363 -1.034 19637 8734 1 11 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.661 0.956 19637 8735 1 11 . 1 1 140 140 GLY H H 140 7.936 7.936 8.179 -0.243 19637 8736 1 11 . 1 1 141 141 VAL N N 141 112.233 112.233 114.184 -1.951 19637 8737 1 11 . 1 1 141 141 VAL C C 141 171.979 171.979 174.146 -2.167 19637 8738 1 11 . 1 1 141 141 VAL CA C 141 59.914 59.914 59.008 0.906 19637 8739 1 11 . 1 1 141 141 VAL CB C 141 33.937 33.937 33.658 0.279 19637 8740 1 11 . 1 1 141 141 VAL H H 141 8.646 8.646 8.351 0.295 19637 8741 1 11 . 1 1 142 142 ASP N N 142 122.520 122.520 126.545 -4.025 19637 8742 1 11 . 1 1 142 142 ASP C C 142 175.259 175.259 174.520 0.739 19637 8743 1 11 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.370 -1.659 19637 8744 1 11 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.410 -1.630 19637 8745 1 11 . 1 1 142 142 ASP H H 142 7.402 7.402 8.572 -1.170 19637 8746 1 11 . 1 1 143 143 TYR N N 143 122.331 122.331 124.082 -1.751 19637 8747 1 11 . 1 1 143 143 TYR C C 143 173.870 173.870 174.452 -0.582 19637 8748 1 11 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.987 -2.039 19637 8749 1 11 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.510 0.255 19637 8750 1 11 . 1 1 143 143 TYR H H 143 9.396 9.396 8.939 0.457 19637 8751 1 11 . 1 1 144 144 LEU N N 144 130.341 130.341 129.766 0.575 19637 8752 1 11 . 1 1 144 144 LEU C C 144 174.786 174.786 176.389 -1.603 19637 8753 1 11 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.951 0.573 19637 8754 1 11 . 1 1 144 144 LEU CB C 144 40.677 40.677 41.601 -0.924 19637 8755 1 11 . 1 1 144 144 LEU H H 144 8.313 8.313 8.913 -0.600 19637 8756 1 11 . 1 1 145 145 ILE N N 145 124.602 124.602 126.039 -1.437 19637 8757 1 11 . 1 1 145 145 ILE C C 145 177.593 177.593 177.079 0.514 19637 8758 1 11 . 1 1 145 145 ILE CA C 145 60.097 60.097 63.994 -3.897 19637 8759 1 11 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.229 -1.365 19637 8760 1 11 . 1 1 145 145 ILE H H 145 8.809 8.809 8.285 0.524 19637 8761 1 11 . 1 1 146 146 ASN N N 146 118.348 118.348 116.966 1.382 19637 8762 1 11 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.498 -1.180 19637 8763 1 11 . 1 1 146 146 ASN CB C 146 36.952 36.952 41.086 -4.134 19637 8764 1 11 . 1 1 146 146 ASN H H 146 8.362 8.362 8.468 -0.106 19637 8765 1 11 . 1 1 147 147 ARG N N 147 113.940 113.940 118.662 -4.722 19637 8766 1 11 . 1 1 147 147 ARG C C 147 176.470 176.470 175.439 1.031 19637 8767 1 11 . 1 1 147 147 ARG CA C 147 58.584 58.584 56.948 1.636 19637 8768 1 11 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.627 -1.922 19637 8769 1 11 . 1 1 147 147 ARG H H 147 8.072 8.072 8.469 -0.397 19637 8770 1 11 . 1 1 148 148 ASP N N 148 112.938 112.938 116.055 -3.117 19637 8771 1 11 . 1 1 148 148 ASP C C 148 174.373 174.373 173.876 0.497 19637 8772 1 11 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.876 0.451 19637 8773 1 11 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.101 1.527 19637 8774 1 11 . 1 1 148 148 ASP H H 148 7.668 7.668 7.834 -0.166 19637 8775 1 11 . 1 1 149 149 TRP N N 149 116.148 116.148 115.993 0.155 19637 8776 1 11 . 1 1 149 149 TRP C C 149 175.574 175.574 173.738 1.836 19637 8777 1 11 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.142 0.344 19637 8778 1 11 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.928 1.792 19637 8779 1 11 . 1 1 149 149 TRP H H 149 7.788 7.788 7.291 0.497 19637 8780 1 11 . 1 1 150 150 LEU N N 150 118.106 118.106 116.280 1.826 19637 8781 1 11 . 1 1 150 150 LEU C C 150 175.141 175.141 175.178 -0.037 19637 8782 1 11 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.545 -1.390 19637 8783 1 11 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.193 -0.792 19637 8784 1 11 . 1 1 150 150 LEU H H 150 9.306 9.306 8.829 0.477 19637 8785 1 11 . 1 1 151 151 VAL N N 151 115.211 115.211 116.734 -1.523 19637 8786 1 11 . 1 1 151 151 VAL C C 151 173.524 173.524 174.739 -1.215 19637 8787 1 11 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.663 -1.364 19637 8788 1 11 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.112 -1.263 19637 8789 1 11 . 1 1 151 151 VAL H H 151 9.293 9.293 8.427 0.866 19637 8790 1 11 . 1 1 152 152 ASN N N 152 124.526 124.526 120.155 4.371 19637 8791 1 11 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.027 -1.272 19637 8792 1 11 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.310 0.317 19637 8793 1 11 . 1 1 152 152 ASN H H 152 8.893 8.893 9.142 -0.249 19637 8794 1 11 . 1 1 153 153 MET N N 153 118.533 118.533 123.369 -4.836 19637 8795 1 11 . 1 1 153 153 MET C C 153 173.987 173.987 174.058 -0.071 19637 8796 1 11 . 1 1 153 153 MET CA C 153 54.017 54.017 55.434 -1.417 19637 8797 1 11 . 1 1 153 153 MET CB C 153 36.243 36.243 37.593 -1.350 19637 8798 1 11 . 1 1 153 153 MET H H 153 8.003 8.003 9.402 -1.399 19637 8799 1 11 . 1 1 154 154 SER N N 154 113.225 113.225 117.745 -4.520 19637 8800 1 11 . 1 1 154 154 SER C C 154 172.120 172.120 172.287 -0.167 19637 8801 1 11 . 1 1 154 154 SER CA C 154 56.550 56.550 57.157 -0.607 19637 8802 1 11 . 1 1 154 154 SER CB C 154 64.619 64.619 66.234 -1.615 19637 8803 1 11 . 1 1 154 154 SER H H 154 9.191 9.191 8.836 0.355 19637 8804 1 11 . 1 1 155 155 VAL N N 155 119.543 119.543 116.751 2.792 19637 8805 1 11 . 1 1 155 155 VAL C C 155 173.973 173.973 174.849 -0.876 19637 8806 1 11 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.211 -0.829 19637 8807 1 11 . 1 1 155 155 VAL H H 155 9.190 9.190 8.328 0.862 19637 8808 1 11 . 1 1 156 156 TRP N N 156 124.596 124.596 120.637 3.959 19637 8809 1 11 . 1 1 156 156 TRP C C 156 175.237 175.237 175.948 -0.711 19637 8810 1 11 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.345 -3.082 19637 8811 1 11 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.326 0.902 19637 8812 1 11 . 1 1 156 156 TRP H H 156 9.883 9.883 8.552 1.331 19637 8813 1 11 . 1 1 160 160 ILE N N 160 123.211 123.211 116.499 6.712 19637 8814 1 11 . 1 1 160 160 ILE C C 160 173.545 173.545 174.302 -0.757 19637 8815 1 11 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.178 0.090 19637 8816 1 11 . 1 1 160 160 ILE H H 160 7.948 7.948 7.860 0.088 19637 8817 1 11 . 1 1 161 161 ASP N N 161 128.357 128.357 126.598 1.759 19637 8818 1 11 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.065 -1.644 19637 8819 1 11 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.403 0.427 19637 8820 1 11 . 1 1 161 161 ASP H H 161 8.302 8.302 8.552 -0.250 19637 8821 1 11 . 1 1 162 162 THR N N 162 117.472 117.472 119.072 -1.600 19637 8822 1 11 . 1 1 162 162 THR CA C 162 57.259 57.259 61.057 -3.798 19637 8823 1 11 . 1 1 162 162 THR CB C 162 68.167 68.167 72.197 -4.030 19637 8824 1 11 . 1 1 162 162 THR H H 162 8.788 8.788 8.128 0.660 19637 8825 1 11 . 1 1 163 163 THR N N 163 120.189 120.189 119.494 0.695 19637 8826 1 11 . 1 1 163 163 THR CA C 163 60.629 60.629 62.646 -2.017 19637 8827 1 11 . 1 1 163 163 THR CB C 163 68.278 68.278 69.488 -1.210 19637 8828 1 11 . 1 1 163 163 THR H H 163 8.429 8.429 8.666 -0.237 19637 8829 1 11 . 1 1 164 164 ALA N N 164 127.991 127.991 127.793 0.198 19637 8830 1 11 . 1 1 164 164 ALA C C 164 174.993 174.993 175.476 -0.483 19637 8831 1 11 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.559 -1.369 19637 8832 1 11 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.415 -3.464 19637 8833 1 11 . 1 1 164 164 ALA H H 164 9.428 9.428 8.830 0.598 19637 8834 1 11 . 1 1 165 165 ASN N N 165 122.214 122.214 122.045 0.169 19637 8835 1 11 . 1 1 165 165 ASN C C 165 173.047 173.047 173.048 -0.001 19637 8836 1 11 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.593 -1.452 19637 8837 1 11 . 1 1 165 165 ASN CB C 165 40.056 40.056 42.945 -2.889 19637 8838 1 11 . 1 1 165 165 ASN H H 165 9.216 9.216 8.784 0.432 19637 8839 1 11 . 1 1 166 166 TYR N N 166 116.330 116.330 113.142 3.188 19637 8840 1 11 . 1 1 166 166 TYR C C 166 172.260 172.260 173.581 -1.321 19637 8841 1 11 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.228 -1.831 19637 8842 1 11 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.748 -2.086 19637 8843 1 11 . 1 1 166 166 TYR H H 166 7.816 7.816 7.974 -0.158 19637 8844 1 11 . 1 1 167 167 LYS N N 167 117.734 117.734 125.364 -7.630 19637 8845 1 11 . 1 1 167 167 LYS C C 167 174.760 174.760 174.635 0.125 19637 8846 1 11 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.440 -1.689 19637 8847 1 11 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.703 0.679 19637 8848 1 11 . 1 1 167 167 LYS H H 167 9.100 9.100 8.792 0.308 19637 8849 1 11 . 1 1 168 168 LEU N N 168 121.623 121.623 128.284 -6.661 19637 8850 1 11 . 1 1 168 168 LEU C C 168 177.877 177.877 176.507 1.370 19637 8851 1 11 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.295 -1.786 19637 8852 1 11 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.505 0.389 19637 8853 1 11 . 1 1 168 168 LEU H H 168 8.372 8.372 8.239 0.133 19637 8854 1 11 . 1 1 169 169 GLY N N 169 119.264 119.264 112.627 6.637 19637 8855 1 11 . 1 1 169 169 GLY C C 169 175.602 175.602 174.589 1.013 19637 8856 1 11 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.184 1.073 19637 8857 1 11 . 1 1 169 169 GLY H H 169 9.603 9.603 8.683 0.920 19637 8858 1 11 . 1 1 170 170 GLY N N 170 104.659 104.659 105.465 -0.806 19637 8859 1 11 . 1 1 170 170 GLY C C 170 172.570 172.570 173.314 -0.744 19637 8860 1 11 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.092 -1.052 19637 8861 1 11 . 1 1 170 170 GLY H H 170 8.381 8.381 8.177 0.204 19637 8862 1 11 . 1 1 171 171 ALA N N 171 123.570 123.570 123.016 0.554 19637 8863 1 11 . 1 1 171 171 ALA C C 171 177.569 177.569 176.633 0.936 19637 8864 1 11 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.426 -0.533 19637 8865 1 11 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.062 -1.732 19637 8866 1 11 . 1 1 171 171 ALA H H 171 7.650 7.650 7.750 -0.100 19637 8867 1 11 . 1 1 172 172 GLN N N 172 124.057 124.057 121.491 2.566 19637 8868 1 11 . 1 1 172 172 GLN C C 172 174.869 174.869 174.933 -0.064 19637 8869 1 11 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.521 0.497 19637 8870 1 11 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.585 0.588 19637 8871 1 11 . 1 1 172 172 GLN H H 172 8.840 8.840 8.638 0.202 19637 8872 1 11 . 1 1 173 173 GLN N N 173 124.328 124.328 124.770 -0.442 19637 8873 1 11 . 1 1 173 173 GLN C C 173 174.953 174.953 174.110 0.843 19637 8874 1 11 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.877 -2.722 19637 8875 1 11 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.404 -0.989 19637 8876 1 11 . 1 1 173 173 GLN H H 173 9.023 9.023 8.040 0.983 19637 8877 1 11 . 1 1 174 174 HIS N N 174 115.629 115.629 113.840 1.789 19637 8878 1 11 . 1 1 174 174 HIS C C 174 173.103 173.103 173.320 -0.217 19637 8879 1 11 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.288 -1.842 19637 8880 1 11 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.788 -2.107 19637 8881 1 11 . 1 1 174 174 HIS H H 174 8.227 8.227 7.969 0.258 19637 8882 1 11 . 1 1 175 175 ASP N N 175 120.615 120.615 122.869 -2.254 19637 8883 1 11 . 1 1 175 175 ASP C C 175 175.013 175.013 174.550 0.463 19637 8884 1 11 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.346 -0.615 19637 8885 1 11 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.942 1.169 19637 8886 1 11 . 1 1 175 175 ASP H H 175 8.964 8.964 8.742 0.222 19637 8887 1 11 . 1 1 176 176 SER N N 176 118.175 118.175 116.785 1.390 19637 8888 1 11 . 1 1 176 176 SER C C 176 173.496 173.496 174.853 -1.357 19637 8889 1 11 . 1 1 176 176 SER CA C 176 57.697 57.697 58.121 -0.424 19637 8890 1 11 . 1 1 176 176 SER CB C 176 62.757 62.757 64.285 -1.528 19637 8891 1 11 . 1 1 176 176 SER H H 176 9.137 9.137 8.515 0.622 19637 8892 1 11 . 1 1 177 177 VAL N N 177 123.737 123.737 124.602 -0.865 19637 8893 1 11 . 1 1 177 177 VAL C C 177 173.398 173.398 175.140 -1.742 19637 8894 1 11 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.709 -2.432 19637 8895 1 11 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.424 0.094 19637 8896 1 11 . 1 1 177 177 VAL H H 177 8.492 8.492 8.452 0.040 19637 8897 1 11 . 1 1 178 178 ARG N N 178 127.628 127.628 128.823 -1.195 19637 8898 1 11 . 1 1 178 178 ARG C C 178 175.097 175.097 175.845 -0.748 19637 8899 1 11 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.850 -0.834 19637 8900 1 11 . 1 1 178 178 ARG CB C 178 29.149 29.149 30.916 -1.766 19637 8901 1 11 . 1 1 178 178 ARG H H 178 8.513 8.513 8.415 0.098 19637 8902 1 11 . 1 1 182 182 TRP N N 182 115.616 115.616 115.041 0.575 19637 8903 1 11 . 1 1 182 182 TRP C C 182 176.613 176.613 174.019 2.594 19637 8904 1 11 . 1 1 182 182 TRP CA C 182 55.228 55.228 55.054 0.174 19637 8905 1 11 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.710 1.099 19637 8906 1 11 . 1 1 182 182 TRP H H 182 7.491 7.491 8.323 -0.832 19637 8907 1 11 . 1 1 183 183 VAL N N 183 121.618 121.618 112.971 8.647 19637 8908 1 11 . 1 1 183 183 VAL CA C 183 58.628 58.628 59.116 -0.488 19637 8909 1 11 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.682 -1.986 19637 8910 1 11 . 1 1 183 183 VAL H H 183 9.372 9.372 8.268 1.104 19637 8911 1 11 . 1 1 185 185 MET N N 185 129.032 129.032 127.516 1.516 19637 8912 1 11 . 1 1 185 185 MET C C 185 172.186 172.186 174.223 -2.037 19637 8913 1 11 . 1 1 185 185 MET CA C 185 53.091 53.091 53.689 -0.598 19637 8914 1 11 . 1 1 185 185 MET CB C 185 33.405 33.405 34.429 -1.024 19637 8915 1 11 . 1 1 185 185 MET H H 185 9.615 9.615 8.882 0.733 19637 8916 1 11 . 1 1 186 186 PHE N N 186 124.085 124.085 122.100 1.985 19637 8917 1 11 . 1 1 186 186 PHE C C 186 174.816 174.816 173.252 1.564 19637 8918 1 11 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.350 -1.219 19637 8919 1 11 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.683 -1.095 19637 8920 1 11 . 1 1 186 186 PHE H H 186 7.976 7.976 7.859 0.117 19637 8921 1 11 . 1 1 187 187 SER N N 187 116.369 116.369 115.609 0.760 19637 8922 1 11 . 1 1 187 187 SER C C 187 171.305 171.305 172.405 -1.100 19637 8923 1 11 . 1 1 187 187 SER CA C 187 57.348 57.348 57.155 0.193 19637 8924 1 11 . 1 1 187 187 SER CB C 187 66.127 66.127 66.352 -0.225 19637 8925 1 11 . 1 1 187 187 SER H H 187 9.355 9.355 9.041 0.314 19637 8926 1 11 . 1 1 188 188 ALA N N 188 119.248 119.248 123.283 -4.035 19637 8927 1 11 . 1 1 188 188 ALA C C 188 175.996 175.996 176.984 -0.988 19637 8928 1 11 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.634 -1.549 19637 8929 1 11 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.207 0.872 19637 8930 1 11 . 1 1 188 188 ALA H H 188 8.300 8.300 8.223 0.077 19637 8931 1 11 . 1 1 189 189 GLY N N 189 104.914 104.914 106.685 -1.771 19637 8932 1 11 . 1 1 189 189 GLY C C 189 170.650 170.650 173.007 -2.357 19637 8933 1 11 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.467 -1.421 19637 8934 1 11 . 1 1 189 189 GLY H H 189 9.235 9.235 8.381 0.854 19637 8935 1 11 . 1 1 190 190 TYR N N 190 121.149 121.149 125.997 -4.848 19637 8936 1 11 . 1 1 190 190 TYR C C 190 173.608 173.608 175.238 -1.630 19637 8937 1 11 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.359 -1.228 19637 8938 1 11 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.064 0.298 19637 8939 1 11 . 1 1 190 190 TYR H H 190 8.865 8.865 8.941 -0.076 19637 8940 1 11 . 1 1 191 191 ARG N N 191 125.697 125.697 126.383 -0.686 19637 8941 1 11 . 1 1 191 191 ARG CA C 191 53.529 53.529 57.120 -3.591 19637 8942 1 11 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.856 -0.909 19637 8943 1 11 . 1 1 191 191 ARG H H 191 7.469 7.469 8.919 -1.450 19637 8944 1 12 . 1 1 2 2 HIS N N 2 119.214 119.214 121.911 -2.697 19637 8945 1 12 . 1 1 2 2 HIS C C 2 171.081 171.081 174.727 -3.646 19637 8946 1 12 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.580 -4.292 19637 8947 1 12 . 1 1 2 2 HIS CB C 2 23.296 23.296 28.524 -5.228 19637 8948 1 12 . 1 1 2 2 HIS H H 2 8.422 8.422 8.534 -0.112 19637 8949 1 12 . 1 1 3 3 GLU N N 3 113.500 113.500 120.183 -6.683 19637 8950 1 12 . 1 1 3 3 GLU C C 3 174.619 174.619 174.473 0.146 19637 8951 1 12 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.021 -1.359 19637 8952 1 12 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.256 -1.841 19637 8953 1 12 . 1 1 3 3 GLU H H 3 6.642 6.642 7.714 -1.072 19637 8954 1 12 . 1 1 4 4 ALA N N 4 120.680 120.680 123.479 -2.799 19637 8955 1 12 . 1 1 4 4 ALA C C 4 178.439 178.439 177.359 1.080 19637 8956 1 12 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.999 -1.623 19637 8957 1 12 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.848 -0.404 19637 8958 1 12 . 1 1 4 4 ALA H H 4 8.701 8.701 8.389 0.312 19637 8959 1 12 . 1 1 5 5 GLY N N 5 112.786 112.786 112.565 0.221 19637 8960 1 12 . 1 1 5 5 GLY C C 5 173.309 173.309 173.973 -0.664 19637 8961 1 12 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.220 -1.667 19637 8962 1 12 . 1 1 5 5 GLY H H 5 9.294 9.294 8.283 1.011 19637 8963 1 12 . 1 1 6 6 GLU N N 6 121.755 121.755 122.398 -0.643 19637 8964 1 12 . 1 1 6 6 GLU C C 6 173.693 173.693 175.422 -1.729 19637 8965 1 12 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.485 0.533 19637 8966 1 12 . 1 1 6 6 GLU CB C 6 31.188 31.188 29.993 1.195 19637 8967 1 12 . 1 1 6 6 GLU H H 6 7.955 7.955 7.693 0.262 19637 8968 1 12 . 1 1 7 7 PHE N N 7 124.802 124.802 118.227 6.575 19637 8969 1 12 . 1 1 7 7 PHE C C 7 174.039 174.039 173.246 0.793 19637 8970 1 12 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.869 -1.536 19637 8971 1 12 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.648 1.093 19637 8972 1 12 . 1 1 7 7 PHE H H 7 8.648 8.648 7.296 1.352 19637 8973 1 12 . 1 1 8 8 PHE N N 8 121.132 121.132 124.743 -3.611 19637 8974 1 12 . 1 1 8 8 PHE C C 8 171.861 171.861 173.462 -1.601 19637 8975 1 12 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.178 -1.629 19637 8976 1 12 . 1 1 8 8 PHE CB C 8 40.677 40.677 41.040 -0.363 19637 8977 1 12 . 1 1 8 8 PHE H H 8 8.574 8.574 8.700 -0.126 19637 8978 1 12 . 1 1 9 9 MET N N 9 120.391 120.391 128.556 -8.165 19637 8979 1 12 . 1 1 9 9 MET C C 9 174.166 174.166 173.551 0.615 19637 8980 1 12 . 1 1 9 9 MET CA C 9 52.199 52.199 54.313 -2.114 19637 8981 1 12 . 1 1 9 9 MET CB C 9 37.307 37.307 36.217 1.090 19637 8982 1 12 . 1 1 9 9 MET H H 9 8.541 8.541 8.451 0.090 19637 8983 1 12 . 1 1 10 10 ARG N N 10 117.892 117.892 121.597 -3.705 19637 8984 1 12 . 1 1 10 10 ARG C C 10 175.289 175.289 173.604 1.685 19637 8985 1 12 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.408 -0.962 19637 8986 1 12 . 1 1 10 10 ARG CB C 10 31.366 31.366 33.913 -2.546 19637 8987 1 12 . 1 1 10 10 ARG H H 10 8.357 8.357 8.831 -0.474 19637 8988 1 12 . 1 1 11 11 ALA N N 11 119.664 119.664 123.831 -4.167 19637 8989 1 12 . 1 1 11 11 ALA C C 11 176.057 176.057 175.753 0.304 19637 8990 1 12 . 1 1 11 11 ALA CA C 11 49.632 49.632 49.640 -0.008 19637 8991 1 12 . 1 1 11 11 ALA CB C 11 21.518 21.518 22.435 -0.917 19637 8992 1 12 . 1 1 11 11 ALA H H 11 9.154 9.154 8.243 0.911 19637 8993 1 12 . 1 1 12 12 GLY N N 12 106.262 106.262 109.024 -2.762 19637 8994 1 12 . 1 1 12 12 GLY C C 12 172.068 172.068 172.133 -0.065 19637 8995 1 12 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.283 -0.134 19637 8996 1 12 . 1 1 12 12 GLY H H 12 8.655 8.655 8.769 -0.114 19637 8997 1 12 . 1 1 13 13 SER N N 13 116.893 116.893 116.333 0.560 19637 8998 1 12 . 1 1 13 13 SER C C 13 173.604 173.604 173.117 0.487 19637 8999 1 12 . 1 1 13 13 SER CA C 13 56.367 56.367 57.532 -1.165 19637 9000 1 12 . 1 1 13 13 SER CB C 13 64.087 64.087 65.083 -0.996 19637 9001 1 12 . 1 1 13 13 SER H H 13 8.644 8.644 8.468 0.176 19637 9002 1 12 . 1 1 14 14 ALA N N 14 125.234 125.234 128.622 -3.388 19637 9003 1 12 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.613 -1.986 19637 9004 1 12 . 1 1 14 14 ALA CB C 14 18.330 18.330 18.976 -0.646 19637 9005 1 12 . 1 1 14 14 ALA H H 14 9.120 9.120 8.329 0.791 19637 9006 1 12 . 1 1 15 15 THR N N 15 121.303 121.303 122.221 -0.918 19637 9007 1 12 . 1 1 15 15 THR C C 15 175.230 175.230 173.787 1.443 19637 9008 1 12 . 1 1 15 15 THR CA C 15 60.895 60.895 62.871 -1.976 19637 9009 1 12 . 1 1 15 15 THR CB C 15 70.029 70.029 69.235 0.794 19637 9010 1 12 . 1 1 15 15 THR H H 15 9.351 9.351 8.297 1.054 19637 9011 1 12 . 1 1 16 16 VAL N N 16 126.781 126.781 126.394 0.387 19637 9012 1 12 . 1 1 16 16 VAL C C 16 174.432 174.432 175.070 -0.638 19637 9013 1 12 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.926 -1.120 19637 9014 1 12 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.029 -1.107 19637 9015 1 12 . 1 1 16 16 VAL H H 16 9.110 9.110 8.459 0.651 19637 9016 1 12 . 1 1 17 17 ARG N N 17 129.806 129.806 128.423 1.383 19637 9017 1 12 . 1 1 17 17 ARG C C 17 173.440 173.440 175.127 -1.687 19637 9018 1 12 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.543 -1.136 19637 9019 1 12 . 1 1 17 17 ARG CB C 17 30.302 30.302 29.803 0.499 19637 9020 1 12 . 1 1 17 17 ARG H H 17 9.325 9.325 8.073 1.252 19637 9021 1 12 . 1 1 19 19 THR N N 19 114.402 114.402 114.479 -0.077 19637 9022 1 12 . 1 1 19 19 THR CA C 19 61.022 61.022 61.132 -0.110 19637 9023 1 12 . 1 1 19 19 THR CB C 19 69.142 69.142 69.259 -0.117 19637 9024 1 12 . 1 1 19 19 THR H H 19 8.021 8.021 7.805 0.216 19637 9025 1 12 . 1 1 20 20 GLU N N 20 123.598 123.598 128.673 -5.075 19637 9026 1 12 . 1 1 20 20 GLU C C 20 177.007 177.007 176.623 0.384 19637 9027 1 12 . 1 1 20 20 GLU CA C 20 55.480 55.480 54.991 0.489 19637 9028 1 12 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.312 -1.518 19637 9029 1 12 . 1 1 20 20 GLU H H 20 8.601 8.601 8.697 -0.096 19637 9030 1 12 . 1 1 21 21 GLY N N 21 110.237 110.237 110.192 0.045 19637 9031 1 12 . 1 1 21 21 GLY C C 21 174.077 174.077 175.071 -0.994 19637 9032 1 12 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.198 -0.537 19637 9033 1 12 . 1 1 21 21 GLY H H 21 8.530 8.530 7.778 0.752 19637 9034 1 12 . 1 1 22 22 ALA N N 22 123.476 123.476 124.944 -1.468 19637 9035 1 12 . 1 1 22 22 ALA C C 22 178.158 178.158 177.234 0.924 19637 9036 1 12 . 1 1 22 22 ALA CA C 22 51.755 51.755 54.267 -2.512 19637 9037 1 12 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.245 -1.467 19637 9038 1 12 . 1 1 22 22 ALA H H 22 8.279 8.279 8.386 -0.107 19637 9039 1 12 . 1 1 23 23 GLY N N 23 107.265 107.265 106.490 0.775 19637 9040 1 12 . 1 1 23 23 GLY C C 23 174.727 174.727 174.960 -0.233 19637 9041 1 12 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.824 -0.384 19637 9042 1 12 . 1 1 23 23 GLY H H 23 8.452 8.452 8.266 0.186 19637 9043 1 12 . 1 1 24 24 GLY N N 24 108.306 108.306 109.683 -1.377 19637 9044 1 12 . 1 1 24 24 GLY C C 24 174.786 174.786 174.733 0.053 19637 9045 1 12 . 1 1 24 24 GLY CA C 24 44.440 44.440 46.056 -1.617 19637 9046 1 12 . 1 1 24 24 GLY H H 24 8.221 8.221 8.480 -0.259 19637 9047 1 12 . 1 1 25 25 THR N N 25 114.381 114.381 113.961 0.420 19637 9048 1 12 . 1 1 25 25 THR C C 25 175.170 175.170 174.228 0.942 19637 9049 1 12 . 1 1 25 25 THR CA C 25 61.599 61.599 61.875 -0.276 19637 9050 1 12 . 1 1 25 25 THR CB C 25 68.521 68.521 70.177 -1.656 19637 9051 1 12 . 1 1 25 25 THR H H 25 8.213 8.213 8.187 0.026 19637 9052 1 12 . 1 1 26 26 LEU N N 26 123.038 123.038 123.685 -0.647 19637 9053 1 12 . 1 1 26 26 LEU C C 26 177.918 177.918 177.115 0.803 19637 9054 1 12 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.110 -0.428 19637 9055 1 12 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.844 -2.699 19637 9056 1 12 . 1 1 26 26 LEU H H 26 8.425 8.425 7.833 0.592 19637 9057 1 12 . 1 1 27 27 GLY N N 27 108.786 108.786 109.110 -0.324 19637 9058 1 12 . 1 1 27 27 GLY C C 27 175.023 175.023 174.279 0.744 19637 9059 1 12 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.296 -0.457 19637 9060 1 12 . 1 1 27 27 GLY H H 27 8.260 8.260 8.258 0.002 19637 9061 1 12 . 1 1 28 28 SER N N 28 116.175 116.175 113.336 2.839 19637 9062 1 12 . 1 1 28 28 SER CA C 28 58.140 58.140 58.095 0.045 19637 9063 1 12 . 1 1 28 28 SER CB C 28 62.846 62.846 63.986 -1.139 19637 9064 1 12 . 1 1 28 28 SER H H 28 8.330 8.330 8.233 0.097 19637 9065 1 12 . 1 1 29 29 LEU N N 29 122.260 122.260 123.317 -1.057 19637 9066 1 12 . 1 1 29 29 LEU C C 29 177.512 177.512 177.509 0.003 19637 9067 1 12 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.866 -1.450 19637 9068 1 12 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.502 -2.180 19637 9069 1 12 . 1 1 29 29 LEU H H 29 8.157 8.157 7.768 0.389 19637 9070 1 12 . 1 1 30 30 GLY N N 30 107.575 107.575 107.699 -0.124 19637 9071 1 12 . 1 1 30 30 GLY C C 30 174.225 174.225 174.281 -0.056 19637 9072 1 12 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.652 -0.124 19637 9073 1 12 . 1 1 30 30 GLY H H 30 8.144 8.144 8.800 -0.656 19637 9074 1 12 . 1 1 31 31 GLY N N 31 107.996 107.996 108.194 -0.198 19637 9075 1 12 . 1 1 31 31 GLY C C 31 173.664 173.664 173.104 0.560 19637 9076 1 12 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.856 -0.638 19637 9077 1 12 . 1 1 31 31 GLY H H 31 8.044 8.044 7.841 0.203 19637 9078 1 12 . 1 1 32 32 PHE N N 32 119.248 119.248 123.292 -4.044 19637 9079 1 12 . 1 1 32 32 PHE C C 32 175.495 175.495 173.843 1.652 19637 9080 1 12 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.723 -1.350 19637 9081 1 12 . 1 1 32 32 PHE CB C 32 39.258 39.258 40.059 -0.801 19637 9082 1 12 . 1 1 32 32 PHE H H 32 8.181 8.181 8.604 -0.423 19637 9083 1 12 . 1 1 33 33 SER N N 33 117.720 117.720 120.301 -2.581 19637 9084 1 12 . 1 1 33 33 SER C C 33 173.368 173.368 172.066 1.302 19637 9085 1 12 . 1 1 33 33 SER CA C 33 55.746 55.746 57.410 -1.664 19637 9086 1 12 . 1 1 33 33 SER CB C 33 64.265 64.265 65.619 -1.354 19637 9087 1 12 . 1 1 33 33 SER H H 33 8.771 8.771 8.174 0.597 19637 9088 1 12 . 1 1 34 34 VAL N N 34 123.007 123.007 121.737 1.270 19637 9089 1 12 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.546 -2.120 19637 9090 1 12 . 1 1 34 34 VAL CB C 34 32.785 32.785 31.582 1.203 19637 9091 1 12 . 1 1 34 34 VAL H H 34 8.525 8.525 8.562 -0.037 19637 9092 1 12 . 1 1 35 35 THR N N 35 115.459 115.459 121.685 -6.226 19637 9093 1 12 . 1 1 35 35 THR CA C 35 61.200 61.200 62.450 -1.250 19637 9094 1 12 . 1 1 35 35 THR CB C 35 69.851 69.851 70.926 -1.075 19637 9095 1 12 . 1 1 35 35 THR H H 35 8.147 8.147 8.094 0.053 19637 9096 1 12 . 1 1 36 36 ASN N N 36 118.274 118.274 123.543 -5.269 19637 9097 1 12 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.417 -2.010 19637 9098 1 12 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.781 -1.676 19637 9099 1 12 . 1 1 36 36 ASN H H 36 8.719 8.719 8.323 0.396 19637 9100 1 12 . 1 1 37 37 ASN N N 37 115.657 115.657 121.702 -6.045 19637 9101 1 12 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.638 1.227 19637 9102 1 12 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.581 2.731 19637 9103 1 12 . 1 1 37 37 ASN H H 37 8.432 8.432 8.503 -0.071 19637 9104 1 12 . 1 1 38 38 THR N N 38 122.444 122.444 115.563 6.881 19637 9105 1 12 . 1 1 38 38 THR CA C 38 61.288 61.288 63.040 -1.752 19637 9106 1 12 . 1 1 38 38 THR CB C 38 69.142 69.142 68.255 0.887 19637 9107 1 12 . 1 1 38 38 THR H H 38 8.095 8.095 8.492 -0.397 19637 9108 1 12 . 1 1 40 40 LEU N N 40 120.457 120.457 119.876 0.581 19637 9109 1 12 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.126 -0.799 19637 9110 1 12 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.126 -1.908 19637 9111 1 12 . 1 1 40 40 LEU H H 40 6.902 6.902 7.765 -0.863 19637 9112 1 12 . 1 1 41 41 GLY N N 41 111.223 111.223 107.756 3.467 19637 9113 1 12 . 1 1 41 41 GLY C C 41 171.034 171.034 172.331 -1.297 19637 9114 1 12 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.730 -1.887 19637 9115 1 12 . 1 1 41 41 GLY H H 41 8.978 8.978 8.164 0.814 19637 9116 1 12 . 1 1 42 42 LEU N N 42 122.123 122.123 124.183 -2.060 19637 9117 1 12 . 1 1 42 42 LEU C C 42 175.350 175.350 175.402 -0.052 19637 9118 1 12 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.356 -2.201 19637 9119 1 12 . 1 1 42 42 LEU CB C 42 45.377 45.377 46.881 -1.504 19637 9120 1 12 . 1 1 42 42 LEU H H 42 8.679 8.679 8.369 0.310 19637 9121 1 12 . 1 1 43 43 THR N N 43 109.917 109.917 113.207 -3.290 19637 9122 1 12 . 1 1 43 43 THR C C 43 173.516 173.516 172.988 0.528 19637 9123 1 12 . 1 1 43 43 THR CA C 43 58.057 58.057 60.190 -2.133 19637 9124 1 12 . 1 1 43 43 THR CB C 43 70.029 70.029 72.097 -2.068 19637 9125 1 12 . 1 1 43 43 THR H H 43 8.792 8.792 8.716 0.076 19637 9126 1 12 . 1 1 44 44 PHE N N 44 118.699 118.699 121.432 -2.733 19637 9127 1 12 . 1 1 44 44 PHE C C 44 173.917 173.917 175.443 -1.526 19637 9128 1 12 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.154 0.326 19637 9129 1 12 . 1 1 44 44 PHE CB C 44 40.765 40.765 41.327 -0.562 19637 9130 1 12 . 1 1 44 44 PHE H H 44 8.566 8.566 8.427 0.139 19637 9131 1 12 . 1 1 45 45 THR N N 45 118.229 118.229 120.818 -2.589 19637 9132 1 12 . 1 1 45 45 THR C C 45 170.886 170.886 173.929 -3.043 19637 9133 1 12 . 1 1 45 45 THR CA C 45 60.097 60.097 61.566 -1.469 19637 9134 1 12 . 1 1 45 45 THR CB C 45 68.433 68.433 71.635 -3.202 19637 9135 1 12 . 1 1 45 45 THR H H 45 7.903 7.903 9.148 -1.245 19637 9136 1 12 . 1 1 46 46 TYR N N 46 124.450 124.450 124.967 -0.517 19637 9137 1 12 . 1 1 46 46 TYR C C 46 174.254 174.254 174.069 0.185 19637 9138 1 12 . 1 1 46 46 TYR CA C 46 54.150 54.150 57.347 -3.197 19637 9139 1 12 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.958 0.315 19637 9140 1 12 . 1 1 46 46 TYR H H 46 8.941 8.941 9.189 -0.248 19637 9141 1 12 . 1 1 47 47 MET N N 47 123.598 123.598 120.014 3.584 19637 9142 1 12 . 1 1 47 47 MET C C 47 175.082 175.082 176.347 -1.265 19637 9143 1 12 . 1 1 47 47 MET CA C 47 50.425 50.425 57.206 -6.781 19637 9144 1 12 . 1 1 47 47 MET CB C 47 26.222 26.222 31.447 -5.225 19637 9145 1 12 . 1 1 47 47 MET H H 47 7.798 7.798 8.529 -0.731 19637 9146 1 12 . 1 1 48 48 ALA N N 48 129.975 129.975 127.667 2.308 19637 9147 1 12 . 1 1 48 48 ALA C C 48 178.568 178.568 177.148 1.420 19637 9148 1 12 . 1 1 48 48 ALA CA C 48 53.305 53.305 51.865 1.440 19637 9149 1 12 . 1 1 48 48 ALA CB C 48 17.712 17.712 21.325 -3.613 19637 9150 1 12 . 1 1 48 48 ALA H H 48 8.717 8.717 8.641 0.076 19637 9151 1 12 . 1 1 49 49 THR N N 49 106.011 106.011 113.251 -7.240 19637 9152 1 12 . 1 1 49 49 THR C C 49 171.950 171.950 172.878 -0.928 19637 9153 1 12 . 1 1 49 49 THR CA C 49 57.786 57.786 60.811 -3.025 19637 9154 1 12 . 1 1 49 49 THR CB C 49 70.535 70.535 70.705 -0.170 19637 9155 1 12 . 1 1 49 49 THR H H 49 8.072 8.072 7.814 0.258 19637 9156 1 12 . 1 1 50 50 ASP N N 50 114.062 114.062 120.438 -6.376 19637 9157 1 12 . 1 1 50 50 ASP C C 50 175.318 175.318 175.740 -0.422 19637 9158 1 12 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.542 0.234 19637 9159 1 12 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.255 -0.465 19637 9160 1 12 . 1 1 50 50 ASP H H 50 8.390 8.390 8.488 -0.098 19637 9161 1 12 . 1 1 51 51 ASN N N 51 111.850 111.850 114.444 -2.594 19637 9162 1 12 . 1 1 51 51 ASN C C 51 171.684 171.684 173.471 -1.787 19637 9163 1 12 . 1 1 51 51 ASN CA C 51 54.416 54.416 53.710 0.706 19637 9164 1 12 . 1 1 51 51 ASN CB C 51 40.233 40.233 39.790 0.443 19637 9165 1 12 . 1 1 51 51 ASN H H 51 7.887 7.887 7.931 -0.044 19637 9166 1 12 . 1 1 52 52 ILE N N 52 118.929 118.929 118.755 0.174 19637 9167 1 12 . 1 1 52 52 ILE C C 52 175.495 175.495 174.542 0.953 19637 9168 1 12 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.542 -0.894 19637 9169 1 12 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.323 -2.839 19637 9170 1 12 . 1 1 52 52 ILE H H 52 7.707 7.707 7.811 -0.104 19637 9171 1 12 . 1 1 53 53 GLY N N 53 114.998 114.998 110.912 4.086 19637 9172 1 12 . 1 1 53 53 GLY C C 53 171.536 171.536 172.572 -1.036 19637 9173 1 12 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.424 -0.492 19637 9174 1 12 . 1 1 53 53 GLY H H 53 8.678 8.678 8.713 -0.035 19637 9175 1 12 . 1 1 54 54 VAL N N 54 118.327 118.327 120.302 -1.975 19637 9176 1 12 . 1 1 54 54 VAL C C 54 173.309 173.309 173.737 -0.428 19637 9177 1 12 . 1 1 54 54 VAL CA C 54 59.648 59.648 59.338 0.310 19637 9178 1 12 . 1 1 54 54 VAL CB C 54 32.873 32.873 35.541 -2.668 19637 9179 1 12 . 1 1 54 54 VAL H H 54 8.734 8.734 8.558 0.176 19637 9180 1 12 . 1 1 55 55 GLU N N 55 126.907 126.907 126.887 0.020 19637 9181 1 12 . 1 1 55 55 GLU C C 55 173.575 173.575 174.552 -0.977 19637 9182 1 12 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.213 -0.944 19637 9183 1 12 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.308 2.419 19637 9184 1 12 . 1 1 55 55 GLU H H 55 9.084 9.084 9.134 -0.050 19637 9185 1 12 . 1 1 56 56 LEU N N 56 126.739 126.739 126.071 0.668 19637 9186 1 12 . 1 1 56 56 LEU C C 56 174.786 174.786 174.588 0.198 19637 9187 1 12 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.984 -2.051 19637 9188 1 12 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.532 -0.510 19637 9189 1 12 . 1 1 56 56 LEU H H 56 9.168 9.168 9.208 -0.040 19637 9190 1 12 . 1 1 57 57 LEU N N 57 127.189 127.189 127.255 -0.066 19637 9191 1 12 . 1 1 57 57 LEU C C 57 174.579 174.579 174.203 0.376 19637 9192 1 12 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.079 -0.988 19637 9193 1 12 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.426 -1.266 19637 9194 1 12 . 1 1 57 57 LEU H H 57 9.174 9.174 8.368 0.806 19637 9195 1 12 . 1 1 58 58 ALA N N 58 125.061 125.061 127.531 -2.470 19637 9196 1 12 . 1 1 58 58 ALA C C 58 172.925 172.925 174.697 -1.772 19637 9197 1 12 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.999 -2.075 19637 9198 1 12 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.839 -1.760 19637 9199 1 12 . 1 1 58 58 ALA H H 58 9.435 9.435 8.668 0.767 19637 9200 1 12 . 1 1 59 59 ALA N N 59 116.911 116.911 119.659 -2.748 19637 9201 1 12 . 1 1 59 59 ALA C C 59 176.248 176.248 176.516 -0.268 19637 9202 1 12 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.780 -1.709 19637 9203 1 12 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.970 -1.311 19637 9204 1 12 . 1 1 59 59 ALA H H 59 6.833 6.833 8.070 -1.237 19637 9205 1 12 . 1 1 60 60 THR N N 60 105.771 105.771 114.469 -8.698 19637 9206 1 12 . 1 1 60 60 THR C C 60 170.975 170.975 173.435 -2.460 19637 9207 1 12 . 1 1 60 60 THR CA C 60 59.515 59.515 61.734 -2.219 19637 9208 1 12 . 1 1 60 60 THR CB C 60 63.487 63.487 68.549 -5.062 19637 9209 1 12 . 1 1 60 60 THR H H 60 7.718 7.718 7.990 -0.272 19637 9210 1 12 . 1 1 62 62 PHE N N 62 122.473 122.473 119.610 2.863 19637 9211 1 12 . 1 1 62 62 PHE C C 62 174.934 174.934 175.165 -0.231 19637 9212 1 12 . 1 1 62 62 PHE CA C 62 56.721 56.721 56.541 0.180 19637 9213 1 12 . 1 1 62 62 PHE CB C 62 39.613 39.613 41.581 -1.968 19637 9214 1 12 . 1 1 62 62 PHE H H 62 8.251 8.251 8.458 -0.207 19637 9215 1 12 . 1 1 63 63 ARG N N 63 118.016 118.016 117.504 0.512 19637 9216 1 12 . 1 1 63 63 ARG C C 63 174.423 174.423 174.891 -0.468 19637 9217 1 12 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.587 -1.939 19637 9218 1 12 . 1 1 63 63 ARG CB C 63 31.898 31.898 31.835 0.063 19637 9219 1 12 . 1 1 63 63 ARG H H 63 7.378 7.378 8.189 -0.811 19637 9220 1 12 . 1 1 64 64 HIS N N 64 120.040 120.040 118.670 1.370 19637 9221 1 12 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.636 -3.683 19637 9222 1 12 . 1 1 64 64 HIS H H 64 8.588 8.588 8.183 0.405 19637 9223 1 12 . 1 1 66 66 ILE N N 66 122.668 122.668 121.574 1.094 19637 9224 1 12 . 1 1 66 66 ILE C C 66 175.141 175.141 176.145 -1.004 19637 9225 1 12 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.091 -2.128 19637 9226 1 12 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.072 -0.435 19637 9227 1 12 . 1 1 66 66 ILE H H 66 8.726 8.726 7.630 1.096 19637 9228 1 12 . 1 1 67 67 GLY N N 67 114.948 114.948 114.885 0.063 19637 9229 1 12 . 1 1 67 67 GLY C C 67 172.570 172.570 172.952 -0.382 19637 9230 1 12 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.461 -0.332 19637 9231 1 12 . 1 1 67 67 GLY H H 67 8.780 8.780 8.541 0.239 19637 9232 1 12 . 1 1 68 68 THR N N 68 106.079 106.079 116.694 -10.615 19637 9233 1 12 . 1 1 68 68 THR C C 68 175.574 175.574 172.822 2.752 19637 9234 1 12 . 1 1 68 68 THR CA C 68 58.672 58.672 61.243 -2.571 19637 9235 1 12 . 1 1 68 68 THR CB C 68 71.270 71.270 70.831 0.439 19637 9236 1 12 . 1 1 68 68 THR H H 68 7.431 7.431 8.237 -0.806 19637 9237 1 12 . 1 1 69 69 ARG N N 69 122.303 122.303 122.393 -0.090 19637 9238 1 12 . 1 1 69 69 ARG C C 69 178.298 178.298 176.839 1.459 19637 9239 1 12 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.090 1.139 19637 9240 1 12 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.130 -1.957 19637 9241 1 12 . 1 1 69 69 ARG H H 69 8.783 8.783 8.812 -0.029 19637 9242 1 12 . 1 1 70 70 ALA N N 70 117.681 117.681 124.732 -7.051 19637 9243 1 12 . 1 1 70 70 ALA C C 70 179.281 179.281 178.320 0.961 19637 9244 1 12 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.310 -1.041 19637 9245 1 12 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.096 -0.121 19637 9246 1 12 . 1 1 70 70 ALA H H 70 8.262 8.262 8.683 -0.421 19637 9247 1 12 . 1 1 71 71 THR N N 71 105.486 105.486 106.309 -0.823 19637 9248 1 12 . 1 1 71 71 THR C C 71 176.136 176.136 176.153 -0.017 19637 9249 1 12 . 1 1 71 71 THR CA C 71 60.895 60.895 62.102 -1.207 19637 9250 1 12 . 1 1 71 71 THR CB C 71 70.383 70.383 69.384 0.999 19637 9251 1 12 . 1 1 71 71 THR H H 71 7.473 7.473 7.821 -0.348 19637 9252 1 12 . 1 1 72 72 GLY N N 72 111.099 111.099 110.579 0.520 19637 9253 1 12 . 1 1 72 72 GLY C C 72 175.052 175.052 173.300 1.752 19637 9254 1 12 . 1 1 72 72 GLY CA C 72 44.046 44.046 46.011 -1.965 19637 9255 1 12 . 1 1 72 72 GLY H H 72 8.194 8.194 8.131 0.063 19637 9256 1 12 . 1 1 73 73 ASP N N 73 121.919 121.919 120.851 1.068 19637 9257 1 12 . 1 1 73 73 ASP C C 73 177.889 177.889 175.336 2.553 19637 9258 1 12 . 1 1 73 73 ASP CA C 73 55.042 55.042 54.435 0.607 19637 9259 1 12 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.212 -2.688 19637 9260 1 12 . 1 1 73 73 ASP H H 73 8.668 8.668 7.885 0.783 19637 9261 1 12 . 1 1 74 74 ILE N N 74 117.113 117.113 119.599 -2.486 19637 9262 1 12 . 1 1 74 74 ILE C C 74 175.013 175.013 174.870 0.143 19637 9263 1 12 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.146 -2.232 19637 9264 1 12 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.084 5.213 19637 9265 1 12 . 1 1 74 74 ILE H H 74 9.327 9.327 8.240 1.087 19637 9266 1 12 . 1 1 75 75 ALA N N 75 121.329 121.329 123.540 -2.211 19637 9267 1 12 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.898 -0.473 19637 9268 1 12 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.905 -0.382 19637 9269 1 12 . 1 1 75 75 ALA H H 75 8.086 8.086 7.917 0.169 19637 9270 1 12 . 1 1 76 76 THR N N 76 116.168 116.168 116.208 -0.040 19637 9271 1 12 . 1 1 76 76 THR C C 76 173.043 173.043 173.299 -0.256 19637 9272 1 12 . 1 1 76 76 THR CA C 76 60.540 60.540 61.897 -1.357 19637 9273 1 12 . 1 1 76 76 THR CB C 76 69.674 69.674 69.444 0.230 19637 9274 1 12 . 1 1 76 76 THR H H 76 8.539 8.539 8.440 0.099 19637 9275 1 12 . 1 1 77 77 VAL N N 77 117.996 117.996 125.791 -7.795 19637 9276 1 12 . 1 1 77 77 VAL C C 77 174.964 174.964 173.720 1.244 19637 9277 1 12 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.557 -3.209 19637 9278 1 12 . 1 1 77 77 VAL CB C 77 34.026 34.026 36.194 -2.168 19637 9279 1 12 . 1 1 77 77 VAL H H 77 8.578 8.578 8.301 0.277 19637 9280 1 12 . 1 1 78 78 HIS N N 78 116.541 116.541 122.896 -6.355 19637 9281 1 12 . 1 1 78 78 HIS C C 78 173.634 173.634 173.896 -0.262 19637 9282 1 12 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.176 -1.351 19637 9283 1 12 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.293 -1.346 19637 9284 1 12 . 1 1 78 78 HIS H H 78 7.822 7.822 8.483 -0.661 19637 9285 1 12 . 1 1 79 79 HIS N N 79 113.176 113.176 119.086 -5.910 19637 9286 1 12 . 1 1 79 79 HIS C C 79 173.841 173.841 175.237 -1.396 19637 9287 1 12 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.776 -1.361 19637 9288 1 12 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.106 2.920 19637 9289 1 12 . 1 1 79 79 HIS H H 79 7.912 7.912 8.648 -0.736 19637 9290 1 12 . 1 1 80 80 LEU N N 80 118.153 118.153 121.537 -3.384 19637 9291 1 12 . 1 1 80 80 LEU C C 80 177.821 177.821 175.580 2.241 19637 9292 1 12 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.354 -2.195 19637 9293 1 12 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.736 3.527 19637 9294 1 12 . 1 1 80 80 LEU H H 80 8.205 8.205 7.983 0.222 19637 9295 1 12 . 1 1 83 83 THR N N 83 115.326 115.326 112.119 3.207 19637 9296 1 12 . 1 1 83 83 THR C C 83 171.362 171.362 173.674 -2.312 19637 9297 1 12 . 1 1 83 83 THR CA C 83 60.540 60.540 60.235 0.305 19637 9298 1 12 . 1 1 83 83 THR CB C 83 72.068 72.068 72.143 -0.075 19637 9299 1 12 . 1 1 83 83 THR H H 83 7.688 7.688 8.383 -0.695 19637 9300 1 12 . 1 1 84 84 LEU N N 84 129.848 129.848 119.249 10.599 19637 9301 1 12 . 1 1 84 84 LEU C C 84 174.373 174.373 174.999 -0.626 19637 9302 1 12 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.158 -1.737 19637 9303 1 12 . 1 1 84 84 LEU CB C 84 44.756 44.756 43.906 0.850 19637 9304 1 12 . 1 1 84 84 LEU H H 84 9.013 9.013 8.120 0.893 19637 9305 1 12 . 1 1 85 85 MET N N 85 121.374 121.374 120.475 0.899 19637 9306 1 12 . 1 1 85 85 MET C C 85 175.407 175.407 174.343 1.064 19637 9307 1 12 . 1 1 85 85 MET CA C 85 52.421 52.421 54.066 -1.645 19637 9308 1 12 . 1 1 85 85 MET CB C 85 34.558 34.558 37.666 -3.108 19637 9309 1 12 . 1 1 85 85 MET H H 85 9.823 9.823 9.220 0.603 19637 9310 1 12 . 1 1 86 86 ALA N N 86 123.689 123.689 121.413 2.276 19637 9311 1 12 . 1 1 86 86 ALA C C 86 176.205 176.205 175.328 0.877 19637 9312 1 12 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.253 -0.448 19637 9313 1 12 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.543 -2.592 19637 9314 1 12 . 1 1 86 86 ALA H H 86 9.080 9.080 8.954 0.126 19637 9315 1 12 . 1 1 87 87 GLN N N 87 116.548 116.548 124.546 -7.998 19637 9316 1 12 . 1 1 87 87 GLN C C 87 175.495 175.495 174.311 1.184 19637 9317 1 12 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.780 -1.422 19637 9318 1 12 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.109 2.183 19637 9319 1 12 . 1 1 87 87 GLN H H 87 9.061 9.061 8.606 0.455 19637 9320 1 12 . 1 1 88 88 TRP N N 88 119.609 119.609 128.435 -8.826 19637 9321 1 12 . 1 1 88 88 TRP C C 88 174.727 174.727 173.940 0.787 19637 9322 1 12 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.261 -1.307 19637 9323 1 12 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.400 -2.921 19637 9324 1 12 . 1 1 88 88 TRP H H 88 8.893 8.893 8.882 0.011 19637 9325 1 12 . 1 1 89 89 TYR N N 89 124.849 124.849 121.671 3.178 19637 9326 1 12 . 1 1 89 89 TYR C C 89 176.382 176.382 173.291 3.091 19637 9327 1 12 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.376 -1.334 19637 9328 1 12 . 1 1 89 89 TYR H H 89 8.815 8.815 7.943 0.872 19637 9329 1 12 . 1 1 90 90 PHE N N 90 122.137 122.137 125.762 -3.625 19637 9330 1 12 . 1 1 90 90 PHE C C 90 176.304 176.304 174.360 1.944 19637 9331 1 12 . 1 1 90 90 PHE CA C 90 57.821 57.821 58.171 -0.350 19637 9332 1 12 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.308 -0.848 19637 9333 1 12 . 1 1 90 90 PHE H H 90 9.171 9.171 8.664 0.507 19637 9334 1 12 . 1 1 91 91 GLY N N 91 108.961 108.961 108.740 0.221 19637 9335 1 12 . 1 1 91 91 GLY C C 91 172.748 172.748 171.659 1.089 19637 9336 1 12 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.627 -0.296 19637 9337 1 12 . 1 1 91 91 GLY H H 91 9.342 9.342 7.709 1.633 19637 9338 1 12 . 1 1 92 92 ASP N N 92 119.869 119.869 118.893 0.976 19637 9339 1 12 . 1 1 92 92 ASP C C 92 175.968 175.968 174.971 0.997 19637 9340 1 12 . 1 1 92 92 ASP CA C 92 51.622 51.622 53.450 -1.828 19637 9341 1 12 . 1 1 92 92 ASP CB C 92 41.563 41.563 43.518 -1.955 19637 9342 1 12 . 1 1 92 92 ASP H H 92 8.612 8.612 8.349 0.263 19637 9343 1 12 . 1 1 93 93 ALA N N 93 117.665 117.665 122.915 -5.250 19637 9344 1 12 . 1 1 93 93 ALA C C 93 178.748 178.748 176.739 2.009 19637 9345 1 12 . 1 1 93 93 ALA CA C 93 53.180 53.180 53.107 0.073 19637 9346 1 12 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.678 -3.767 19637 9347 1 12 . 1 1 93 93 ALA H H 93 8.673 8.673 8.627 0.046 19637 9348 1 12 . 1 1 94 94 SER N N 94 115.062 115.062 114.101 0.961 19637 9349 1 12 . 1 1 94 94 SER C C 94 175.348 175.348 174.470 0.878 19637 9350 1 12 . 1 1 94 94 SER CA C 94 58.185 58.185 58.667 -0.482 19637 9351 1 12 . 1 1 94 94 SER CB C 94 62.757 62.757 63.308 -0.551 19637 9352 1 12 . 1 1 94 94 SER H H 94 8.902 8.902 7.896 1.006 19637 9353 1 12 . 1 1 95 95 SER N N 95 120.754 120.754 115.563 5.191 19637 9354 1 12 . 1 1 95 95 SER CA C 95 58.451 58.451 60.394 -1.943 19637 9355 1 12 . 1 1 95 95 SER CB C 95 62.580 62.580 62.766 -0.186 19637 9356 1 12 . 1 1 95 95 SER H H 95 7.922 7.922 8.848 -0.926 19637 9357 1 12 . 1 1 96 96 LYS N N 96 120.924 120.924 117.701 3.223 19637 9358 1 12 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.595 -1.996 19637 9359 1 12 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.690 -2.324 19637 9360 1 12 . 1 1 96 96 LYS H H 96 8.555 8.555 8.187 0.368 19637 9361 1 12 . 1 1 97 97 PHE N N 97 117.773 117.773 116.853 0.920 19637 9362 1 12 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.855 -1.167 19637 9363 1 12 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.924 -0.602 19637 9364 1 12 . 1 1 97 97 PHE H H 97 7.596 7.596 7.535 0.061 19637 9365 1 12 . 1 1 98 98 ARG N N 98 120.982 120.982 122.503 -1.521 19637 9366 1 12 . 1 1 98 98 ARG C C 98 173.047 173.047 174.277 -1.230 19637 9367 1 12 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.296 -0.825 19637 9368 1 12 . 1 1 98 98 ARG CB C 98 31.632 31.632 32.585 -0.953 19637 9369 1 12 . 1 1 98 98 ARG H H 98 8.823 8.823 9.058 -0.235 19637 9370 1 12 . 1 1 100 100 TYR N N 100 117.775 117.775 112.285 5.490 19637 9371 1 12 . 1 1 100 100 TYR C C 100 173.047 173.047 173.076 -0.029 19637 9372 1 12 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.197 -2.243 19637 9373 1 12 . 1 1 100 100 TYR CB C 100 39.524 39.524 38.697 0.827 19637 9374 1 12 . 1 1 100 100 TYR H H 100 8.885 8.885 8.183 0.702 19637 9375 1 12 . 1 1 101 101 VAL N N 101 111.744 111.744 122.488 -10.744 19637 9376 1 12 . 1 1 101 101 VAL C C 101 173.457 173.457 175.885 -2.428 19637 9377 1 12 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.363 -3.258 19637 9378 1 12 . 1 1 101 101 VAL CB C 101 34.381 34.381 35.003 -0.622 19637 9379 1 12 . 1 1 101 101 VAL H H 101 8.365 8.365 8.677 -0.312 19637 9380 1 12 . 1 1 102 102 GLY N N 102 108.300 108.300 111.501 -3.201 19637 9381 1 12 . 1 1 102 102 GLY C C 102 171.241 171.241 172.208 -0.967 19637 9382 1 12 . 1 1 102 102 GLY CA C 102 44.972 44.972 45.821 -0.849 19637 9383 1 12 . 1 1 102 102 GLY H H 102 8.271 8.271 8.418 -0.147 19637 9384 1 12 . 1 1 103 103 ALA N N 103 120.836 120.836 120.334 0.502 19637 9385 1 12 . 1 1 103 103 ALA C C 103 175.614 175.614 175.159 0.455 19637 9386 1 12 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.099 -2.266 19637 9387 1 12 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.576 0.142 19637 9388 1 12 . 1 1 103 103 ALA H H 103 9.048 9.048 8.067 0.981 19637 9389 1 12 . 1 1 104 104 GLY N N 104 107.477 107.477 106.508 0.969 19637 9390 1 12 . 1 1 104 104 GLY C C 104 171.832 171.832 172.156 -0.324 19637 9391 1 12 . 1 1 104 104 GLY CA C 104 46.479 46.479 45.100 1.379 19637 9392 1 12 . 1 1 104 104 GLY H H 104 8.661 8.661 8.631 0.030 19637 9393 1 12 . 1 1 105 105 ILE N N 105 118.575 118.575 116.197 2.378 19637 9394 1 12 . 1 1 105 105 ILE C C 105 172.275 172.275 173.829 -1.554 19637 9395 1 12 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.222 -2.874 19637 9396 1 12 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.393 0.259 19637 9397 1 12 . 1 1 105 105 ILE H H 105 9.020 9.020 8.808 0.212 19637 9398 1 12 . 1 1 106 106 ASN N N 106 123.879 123.879 122.559 1.320 19637 9399 1 12 . 1 1 106 106 ASN C C 106 171.418 171.418 173.844 -2.426 19637 9400 1 12 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.692 -0.108 19637 9401 1 12 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.835 0.019 19637 9402 1 12 . 1 1 106 106 ASN H H 106 9.659 9.659 9.057 0.602 19637 9403 1 12 . 1 1 107 107 TYR N N 107 125.744 125.744 124.823 0.921 19637 9404 1 12 . 1 1 107 107 TYR C C 107 173.073 173.073 175.068 -1.995 19637 9405 1 12 . 1 1 107 107 TYR CA C 107 54.504 54.504 58.660 -4.156 19637 9406 1 12 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.225 1.629 19637 9407 1 12 . 1 1 107 107 TYR H H 107 8.273 8.273 8.852 -0.579 19637 9408 1 12 . 1 1 108 108 THR N N 108 119.337 119.337 125.087 -5.750 19637 9409 1 12 . 1 1 108 108 THR C C 108 172.457 172.457 173.086 -0.629 19637 9410 1 12 . 1 1 108 108 THR CA C 108 60.452 60.452 61.191 -0.739 19637 9411 1 12 . 1 1 108 108 THR CB C 108 69.319 69.319 70.497 -1.178 19637 9412 1 12 . 1 1 108 108 THR H H 108 8.446 8.446 8.669 -0.223 19637 9413 1 12 . 1 1 109 109 THR N N 109 118.655 118.655 118.411 0.244 19637 9414 1 12 . 1 1 109 109 THR C C 109 171.625 171.625 172.543 -0.918 19637 9415 1 12 . 1 1 109 109 THR CA C 109 56.810 56.810 60.947 -4.136 19637 9416 1 12 . 1 1 109 109 THR H H 109 7.548 7.548 8.328 -0.780 19637 9417 1 12 . 1 1 112 112 ASP N N 112 116.796 116.796 116.763 0.033 19637 9418 1 12 . 1 1 112 112 ASP C C 112 175.490 175.490 174.644 0.846 19637 9419 1 12 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.466 0.418 19637 9420 1 12 . 1 1 112 112 ASP CB C 112 37.662 37.662 40.733 -3.071 19637 9421 1 12 . 1 1 112 112 ASP H H 112 8.995 8.995 8.208 0.787 19637 9422 1 12 . 1 1 113 113 ASN N N 113 117.801 117.801 118.897 -1.096 19637 9423 1 12 . 1 1 113 113 ASN C C 113 175.702 175.702 176.044 -0.342 19637 9424 1 12 . 1 1 113 113 ASN CA C 113 50.736 50.736 54.469 -3.733 19637 9425 1 12 . 1 1 113 113 ASN CB C 113 39.348 39.348 38.728 0.619 19637 9426 1 12 . 1 1 113 113 ASN H H 113 8.410 8.410 8.116 0.294 19637 9427 1 12 . 1 1 114 114 GLY N N 114 107.744 107.744 110.866 -3.122 19637 9428 1 12 . 1 1 114 114 GLY C C 114 171.979 171.979 174.186 -2.207 19637 9429 1 12 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.743 0.051 19637 9430 1 12 . 1 1 114 114 GLY H H 114 8.557 8.557 8.570 -0.013 19637 9431 1 12 . 1 1 115 115 PHE N N 115 119.554 119.554 121.509 -1.955 19637 9432 1 12 . 1 1 115 115 PHE C C 115 176.192 176.192 174.030 2.162 19637 9433 1 12 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.688 -1.198 19637 9434 1 12 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.692 0.389 19637 9435 1 12 . 1 1 115 115 PHE H H 115 8.607 8.607 8.518 0.089 19637 9436 1 12 . 1 1 116 116 ASN N N 116 120.356 120.356 122.123 -1.767 19637 9437 1 12 . 1 1 116 116 ASN C C 116 175.407 175.407 174.938 0.469 19637 9438 1 12 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.518 -2.447 19637 9439 1 12 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.479 -4.438 19637 9440 1 12 . 1 1 116 116 ASN H H 116 8.240 8.240 8.006 0.234 19637 9441 1 12 . 1 1 117 117 ASP N N 117 117.610 117.610 121.345 -3.735 19637 9442 1 12 . 1 1 117 117 ASP C C 117 178.298 178.298 178.286 0.012 19637 9443 1 12 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.929 -0.581 19637 9444 1 12 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.454 -1.906 19637 9445 1 12 . 1 1 117 117 ASP H H 117 8.460 8.460 8.782 -0.322 19637 9446 1 12 . 1 1 118 118 HIS N N 118 118.493 118.493 118.038 0.455 19637 9447 1 12 . 1 1 118 118 HIS C C 118 177.821 177.821 177.587 0.234 19637 9448 1 12 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.881 -2.115 19637 9449 1 12 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.856 -3.129 19637 9450 1 12 . 1 1 118 118 HIS H H 118 8.185 8.185 8.267 -0.082 19637 9451 1 12 . 1 1 119 119 GLY N N 119 107.937 107.937 107.442 0.495 19637 9452 1 12 . 1 1 119 119 GLY C C 119 175.082 175.082 176.083 -1.001 19637 9453 1 12 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.870 -0.258 19637 9454 1 12 . 1 1 119 119 GLY H H 119 8.788 8.788 8.728 0.060 19637 9455 1 12 . 1 1 120 120 LYS N N 120 122.898 122.898 122.856 0.042 19637 9456 1 12 . 1 1 120 120 LYS C C 120 181.612 181.612 179.555 2.057 19637 9457 1 12 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.392 -0.674 19637 9458 1 12 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.627 -1.971 19637 9459 1 12 . 1 1 120 120 LYS H H 120 8.890 8.890 8.493 0.397 19637 9460 1 12 . 1 1 121 121 GLU N N 121 120.995 120.995 118.882 2.113 19637 9461 1 12 . 1 1 121 121 GLU C C 121 177.327 177.327 176.938 0.389 19637 9462 1 12 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.373 -0.720 19637 9463 1 12 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.540 -1.810 19637 9464 1 12 . 1 1 121 121 GLU H H 121 8.234 8.234 7.869 0.365 19637 9465 1 12 . 1 1 122 122 ALA N N 122 119.811 119.811 120.052 -0.241 19637 9466 1 12 . 1 1 122 122 ALA C C 122 176.500 176.500 177.663 -1.163 19637 9467 1 12 . 1 1 122 122 ALA CA C 122 51.042 51.042 52.197 -1.155 19637 9468 1 12 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.900 -3.190 19637 9469 1 12 . 1 1 122 122 ALA H H 122 7.259 7.259 7.523 -0.264 19637 9470 1 12 . 1 1 123 123 GLY N N 123 103.863 103.863 105.363 -1.500 19637 9471 1 12 . 1 1 123 123 GLY C C 123 175.082 175.082 173.107 1.975 19637 9472 1 12 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.825 -0.561 19637 9473 1 12 . 1 1 123 123 GLY H H 123 7.745 7.745 7.890 -0.145 19637 9474 1 12 . 1 1 124 124 LEU N N 124 123.722 123.722 120.848 2.874 19637 9475 1 12 . 1 1 124 124 LEU C C 124 176.293 176.293 175.451 0.842 19637 9476 1 12 . 1 1 124 124 LEU CA C 124 53.269 53.269 55.177 -1.908 19637 9477 1 12 . 1 1 124 124 LEU CB C 124 38.016 38.016 42.495 -4.479 19637 9478 1 12 . 1 1 124 124 LEU H H 124 7.461 7.461 7.915 -0.454 19637 9479 1 12 . 1 1 125 125 SER N N 125 114.112 114.112 122.486 -8.374 19637 9480 1 12 . 1 1 125 125 SER C C 125 173.250 173.250 174.173 -0.923 19637 9481 1 12 . 1 1 125 125 SER CA C 125 57.259 57.259 58.282 -1.023 19637 9482 1 12 . 1 1 125 125 SER CB C 125 65.684 65.684 64.636 1.048 19637 9483 1 12 . 1 1 125 125 SER H H 125 8.809 8.809 8.674 0.135 19637 9484 1 12 . 1 1 126 126 ASP N N 126 117.817 117.817 121.443 -3.626 19637 9485 1 12 . 1 1 126 126 ASP C C 126 174.107 174.107 176.823 -2.716 19637 9486 1 12 . 1 1 126 126 ASP CA C 126 54.593 54.593 55.927 -1.334 19637 9487 1 12 . 1 1 126 126 ASP CB C 126 38.726 38.726 39.469 -0.743 19637 9488 1 12 . 1 1 126 126 ASP H H 126 9.035 9.035 8.083 0.952 19637 9489 1 12 . 1 1 127 127 LEU N N 127 120.160 120.160 121.667 -1.507 19637 9490 1 12 . 1 1 127 127 LEU C C 127 176.726 176.726 174.768 1.958 19637 9491 1 12 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.464 -1.093 19637 9492 1 12 . 1 1 127 127 LEU CB C 127 40.322 40.322 41.058 -0.736 19637 9493 1 12 . 1 1 127 127 LEU H H 127 8.109 8.109 8.625 -0.516 19637 9494 1 12 . 1 1 128 128 SER N N 128 120.909 120.909 115.273 5.636 19637 9495 1 12 . 1 1 128 128 SER C C 128 172.038 172.038 172.206 -0.168 19637 9496 1 12 . 1 1 128 128 SER CA C 128 57.120 57.120 57.617 -0.497 19637 9497 1 12 . 1 1 128 128 SER CB C 128 64.353 64.353 65.890 -1.537 19637 9498 1 12 . 1 1 128 128 SER H H 128 9.499 9.499 7.673 1.826 19637 9499 1 12 . 1 1 129 129 LEU N N 129 122.260 122.260 124.141 -1.881 19637 9500 1 12 . 1 1 129 129 LEU C C 129 176.411 176.411 174.920 1.491 19637 9501 1 12 . 1 1 129 129 LEU CA C 129 53.839 53.839 54.832 -0.993 19637 9502 1 12 . 1 1 129 129 LEU CB C 129 42.539 42.539 44.557 -2.018 19637 9503 1 12 . 1 1 129 129 LEU H H 129 8.182 8.182 8.559 -0.377 19637 9504 1 12 . 1 1 130 130 LYS N N 130 122.490 122.490 125.841 -3.351 19637 9505 1 12 . 1 1 130 130 LYS C C 130 176.754 176.754 176.415 0.339 19637 9506 1 12 . 1 1 130 130 LYS CA C 130 55.042 55.042 56.267 -1.225 19637 9507 1 12 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.366 -0.848 19637 9508 1 12 . 1 1 130 130 LYS H H 130 7.536 7.536 8.197 -0.661 19637 9509 1 12 . 1 1 131 131 ASP N N 131 123.217 123.217 123.410 -0.193 19637 9510 1 12 . 1 1 131 131 ASP C C 131 175.998 175.998 175.824 0.174 19637 9511 1 12 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.120 0.340 19637 9512 1 12 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.504 -1.271 19637 9513 1 12 . 1 1 131 131 ASP H H 131 8.782 8.782 8.523 0.259 19637 9514 1 12 . 1 1 132 132 SER N N 132 115.445 115.445 116.521 -1.076 19637 9515 1 12 . 1 1 132 132 SER C C 132 171.920 171.920 173.451 -1.531 19637 9516 1 12 . 1 1 132 132 SER CA C 132 55.790 55.790 56.316 -0.526 19637 9517 1 12 . 1 1 132 132 SER CB C 132 64.087 64.087 63.033 1.054 19637 9518 1 12 . 1 1 132 132 SER H H 132 9.016 9.016 8.486 0.530 19637 9519 1 12 . 1 1 133 133 TRP N N 133 124.389 124.389 123.480 0.909 19637 9520 1 12 . 1 1 133 133 TRP C C 133 178.243 178.243 174.627 3.616 19637 9521 1 12 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.505 0.804 19637 9522 1 12 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.921 -0.520 19637 9523 1 12 . 1 1 133 133 TRP H H 133 7.896 7.896 7.492 0.404 19637 9524 1 12 . 1 1 134 134 GLY N N 134 107.658 107.658 107.662 -0.004 19637 9525 1 12 . 1 1 134 134 GLY C C 134 171.123 171.123 172.038 -0.915 19637 9526 1 12 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.765 -0.015 19637 9527 1 12 . 1 1 134 134 GLY H H 134 8.896 8.896 8.390 0.506 19637 9528 1 12 . 1 1 135 135 ALA N N 135 122.244 122.244 122.742 -0.498 19637 9529 1 12 . 1 1 135 135 ALA C C 135 174.875 174.875 176.678 -1.803 19637 9530 1 12 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.433 -0.292 19637 9531 1 12 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.423 -1.117 19637 9532 1 12 . 1 1 135 135 ALA H H 135 8.946 8.946 8.300 0.646 19637 9533 1 12 . 1 1 136 136 ALA N N 136 118.579 118.579 121.980 -3.401 19637 9534 1 12 . 1 1 136 136 ALA C C 136 175.434 175.434 175.663 -0.229 19637 9535 1 12 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.517 -2.023 19637 9536 1 12 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.529 1.678 19637 9537 1 12 . 1 1 136 136 ALA H H 136 8.111 8.111 7.904 0.207 19637 9538 1 12 . 1 1 137 137 GLY N N 137 105.005 105.005 108.547 -3.542 19637 9539 1 12 . 1 1 137 137 GLY C C 137 171.300 171.300 173.826 -2.526 19637 9540 1 12 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.741 -1.559 19637 9541 1 12 . 1 1 137 137 GLY H H 137 8.933 8.933 8.060 0.873 19637 9542 1 12 . 1 1 138 138 GLN N N 138 115.695 115.695 123.798 -8.103 19637 9543 1 12 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.303 -1.040 19637 9544 1 12 . 1 1 138 138 GLN H H 138 8.559 8.559 8.052 0.507 19637 9545 1 12 . 1 1 140 140 GLY N N 140 110.307 110.307 115.474 -5.167 19637 9546 1 12 . 1 1 140 140 GLY C C 140 171.329 171.329 170.505 0.824 19637 9547 1 12 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.432 0.185 19637 9548 1 12 . 1 1 140 140 GLY H H 140 7.936 7.936 7.950 -0.014 19637 9549 1 12 . 1 1 141 141 VAL N N 141 112.233 112.233 117.777 -5.544 19637 9550 1 12 . 1 1 141 141 VAL C C 141 171.979 171.979 173.467 -1.488 19637 9551 1 12 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.005 -0.091 19637 9552 1 12 . 1 1 141 141 VAL CB C 141 33.937 33.937 36.346 -2.409 19637 9553 1 12 . 1 1 141 141 VAL H H 141 8.646 8.646 8.371 0.275 19637 9554 1 12 . 1 1 142 142 ASP N N 142 122.520 122.520 125.347 -2.827 19637 9555 1 12 . 1 1 142 142 ASP C C 142 175.259 175.259 174.832 0.427 19637 9556 1 12 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.073 -0.362 19637 9557 1 12 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.050 -0.270 19637 9558 1 12 . 1 1 142 142 ASP H H 142 7.402 7.402 8.715 -1.313 19637 9559 1 12 . 1 1 143 143 TYR N N 143 122.331 122.331 118.553 3.778 19637 9560 1 12 . 1 1 143 143 TYR C C 143 173.870 173.870 175.278 -1.408 19637 9561 1 12 . 1 1 143 143 TYR CA C 143 54.948 54.948 55.834 -0.886 19637 9562 1 12 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.805 -0.040 19637 9563 1 12 . 1 1 143 143 TYR H H 143 9.396 9.396 8.787 0.609 19637 9564 1 12 . 1 1 144 144 LEU N N 144 130.341 130.341 125.468 4.873 19637 9565 1 12 . 1 1 144 144 LEU C C 144 174.786 174.786 175.752 -0.966 19637 9566 1 12 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.830 0.694 19637 9567 1 12 . 1 1 144 144 LEU CB C 144 40.677 40.677 41.307 -0.630 19637 9568 1 12 . 1 1 144 144 LEU H H 144 8.313 8.313 8.995 -0.682 19637 9569 1 12 . 1 1 145 145 ILE N N 145 124.602 124.602 123.354 1.248 19637 9570 1 12 . 1 1 145 145 ILE C C 145 177.593 177.593 174.559 3.034 19637 9571 1 12 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.078 -1.981 19637 9572 1 12 . 1 1 145 145 ILE CB C 145 36.864 36.864 39.871 -3.007 19637 9573 1 12 . 1 1 145 145 ILE H H 145 8.809 8.809 7.946 0.863 19637 9574 1 12 . 1 1 146 146 ASN N N 146 118.348 118.348 121.714 -3.366 19637 9575 1 12 . 1 1 146 146 ASN CA C 146 51.318 51.318 53.458 -2.140 19637 9576 1 12 . 1 1 146 146 ASN CB C 146 36.952 36.952 37.877 -0.925 19637 9577 1 12 . 1 1 146 146 ASN H H 146 8.362 8.362 8.642 -0.280 19637 9578 1 12 . 1 1 147 147 ARG N N 147 113.940 113.940 119.690 -5.750 19637 9579 1 12 . 1 1 147 147 ARG C C 147 176.470 176.470 175.688 0.782 19637 9580 1 12 . 1 1 147 147 ARG CA C 147 58.584 58.584 59.575 -0.991 19637 9581 1 12 . 1 1 147 147 ARG CB C 147 28.705 28.705 29.072 -0.367 19637 9582 1 12 . 1 1 147 147 ARG H H 147 8.072 8.072 8.436 -0.364 19637 9583 1 12 . 1 1 148 148 ASP N N 148 112.938 112.938 119.704 -6.766 19637 9584 1 12 . 1 1 148 148 ASP C C 148 174.373 174.373 174.164 0.209 19637 9585 1 12 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.257 1.070 19637 9586 1 12 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.706 -0.078 19637 9587 1 12 . 1 1 148 148 ASP H H 148 7.668 7.668 8.339 -0.671 19637 9588 1 12 . 1 1 149 149 TRP N N 149 116.148 116.148 117.124 -0.976 19637 9589 1 12 . 1 1 149 149 TRP C C 149 175.574 175.574 174.878 0.696 19637 9590 1 12 . 1 1 149 149 TRP CA C 149 55.486 55.486 56.073 -0.587 19637 9591 1 12 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.804 0.916 19637 9592 1 12 . 1 1 149 149 TRP H H 149 7.788 7.788 7.470 0.318 19637 9593 1 12 . 1 1 150 150 LEU N N 150 118.106 118.106 118.316 -0.210 19637 9594 1 12 . 1 1 150 150 LEU C C 150 175.141 175.141 175.723 -0.582 19637 9595 1 12 . 1 1 150 150 LEU CA C 150 52.155 52.155 54.189 -2.034 19637 9596 1 12 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.396 -0.995 19637 9597 1 12 . 1 1 150 150 LEU H H 150 9.306 9.306 9.186 0.120 19637 9598 1 12 . 1 1 151 151 VAL N N 151 115.211 115.211 119.141 -3.930 19637 9599 1 12 . 1 1 151 151 VAL C C 151 173.524 173.524 173.524 0.000 19637 9600 1 12 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.149 -0.850 19637 9601 1 12 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.661 -1.812 19637 9602 1 12 . 1 1 151 151 VAL H H 151 9.293 9.293 8.754 0.539 19637 9603 1 12 . 1 1 152 152 ASN N N 152 124.526 124.526 126.777 -2.251 19637 9604 1 12 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.805 -1.050 19637 9605 1 12 . 1 1 152 152 ASN CB C 152 42.628 42.628 43.208 -0.580 19637 9606 1 12 . 1 1 152 152 ASN H H 152 8.893 8.893 9.177 -0.284 19637 9607 1 12 . 1 1 153 153 MET N N 153 118.533 118.533 124.287 -5.754 19637 9608 1 12 . 1 1 153 153 MET C C 153 173.987 173.987 173.793 0.194 19637 9609 1 12 . 1 1 153 153 MET CA C 153 54.017 54.017 54.286 -0.269 19637 9610 1 12 . 1 1 153 153 MET CB C 153 36.243 36.243 36.522 -0.279 19637 9611 1 12 . 1 1 153 153 MET H H 153 8.003 8.003 9.056 -1.053 19637 9612 1 12 . 1 1 154 154 SER N N 154 113.225 113.225 119.444 -6.219 19637 9613 1 12 . 1 1 154 154 SER C C 154 172.120 172.120 172.306 -0.186 19637 9614 1 12 . 1 1 154 154 SER CA C 154 56.550 56.550 57.660 -1.110 19637 9615 1 12 . 1 1 154 154 SER CB C 154 64.619 64.619 66.090 -1.471 19637 9616 1 12 . 1 1 154 154 SER H H 154 9.191 9.191 9.188 0.003 19637 9617 1 12 . 1 1 155 155 VAL N N 155 119.543 119.543 114.768 4.775 19637 9618 1 12 . 1 1 155 155 VAL C C 155 173.973 173.973 174.057 -0.084 19637 9619 1 12 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.027 -1.645 19637 9620 1 12 . 1 1 155 155 VAL H H 155 9.190 9.190 7.917 1.273 19637 9621 1 12 . 1 1 156 156 TRP N N 156 124.596 124.596 118.917 5.679 19637 9622 1 12 . 1 1 156 156 TRP C C 156 175.237 175.237 175.817 -0.580 19637 9623 1 12 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.271 -4.008 19637 9624 1 12 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.264 0.964 19637 9625 1 12 . 1 1 156 156 TRP H H 156 9.883 9.883 8.714 1.169 19637 9626 1 12 . 1 1 160 160 ILE N N 160 123.211 123.211 119.440 3.771 19637 9627 1 12 . 1 1 160 160 ILE C C 160 173.545 173.545 173.927 -0.382 19637 9628 1 12 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.716 -0.447 19637 9629 1 12 . 1 1 160 160 ILE H H 160 7.948 7.948 8.366 -0.417 19637 9630 1 12 . 1 1 161 161 ASP N N 161 128.357 128.357 127.701 0.656 19637 9631 1 12 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.175 -1.754 19637 9632 1 12 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.629 0.201 19637 9633 1 12 . 1 1 161 161 ASP H H 161 8.302 8.302 8.548 -0.246 19637 9634 1 12 . 1 1 162 162 THR N N 162 117.472 117.472 119.055 -1.583 19637 9635 1 12 . 1 1 162 162 THR CA C 162 57.259 57.259 61.526 -4.268 19637 9636 1 12 . 1 1 162 162 THR CB C 162 68.167 68.167 72.739 -4.572 19637 9637 1 12 . 1 1 162 162 THR H H 162 8.788 8.788 8.324 0.464 19637 9638 1 12 . 1 1 163 163 THR N N 163 120.189 120.189 119.244 0.945 19637 9639 1 12 . 1 1 163 163 THR CA C 163 60.629 60.629 60.902 -0.273 19637 9640 1 12 . 1 1 163 163 THR CB C 163 68.278 68.278 72.514 -4.237 19637 9641 1 12 . 1 1 163 163 THR H H 163 8.429 8.429 8.180 0.249 19637 9642 1 12 . 1 1 164 164 ALA N N 164 127.991 127.991 124.599 3.392 19637 9643 1 12 . 1 1 164 164 ALA C C 164 174.993 174.993 174.842 0.151 19637 9644 1 12 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.919 -1.729 19637 9645 1 12 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.254 -3.303 19637 9646 1 12 . 1 1 164 164 ALA H H 164 9.428 9.428 8.834 0.594 19637 9647 1 12 . 1 1 165 165 ASN N N 165 122.214 122.214 122.841 -0.627 19637 9648 1 12 . 1 1 165 165 ASN C C 165 173.047 173.047 172.968 0.079 19637 9649 1 12 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.422 -1.282 19637 9650 1 12 . 1 1 165 165 ASN CB C 165 40.056 40.056 41.642 -1.586 19637 9651 1 12 . 1 1 165 165 ASN H H 165 9.216 9.216 8.761 0.455 19637 9652 1 12 . 1 1 166 166 TYR N N 166 116.330 116.330 119.943 -3.613 19637 9653 1 12 . 1 1 166 166 TYR C C 166 172.260 172.260 173.809 -1.549 19637 9654 1 12 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.492 -0.095 19637 9655 1 12 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.959 -2.297 19637 9656 1 12 . 1 1 166 166 TYR H H 166 7.816 7.816 7.715 0.101 19637 9657 1 12 . 1 1 167 167 LYS N N 167 117.734 117.734 121.022 -3.288 19637 9658 1 12 . 1 1 167 167 LYS C C 167 174.760 174.760 174.576 0.184 19637 9659 1 12 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.836 -1.085 19637 9660 1 12 . 1 1 167 167 LYS CB C 167 34.381 34.381 36.987 -2.606 19637 9661 1 12 . 1 1 167 167 LYS H H 167 9.100 9.100 8.796 0.304 19637 9662 1 12 . 1 1 168 168 LEU N N 168 121.623 121.623 117.693 3.930 19637 9663 1 12 . 1 1 168 168 LEU C C 168 177.877 177.877 178.597 -0.720 19637 9664 1 12 . 1 1 168 168 LEU CA C 168 52.509 52.509 55.102 -2.593 19637 9665 1 12 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.266 0.628 19637 9666 1 12 . 1 1 168 168 LEU H H 168 8.372 8.372 8.390 -0.018 19637 9667 1 12 . 1 1 169 169 GLY N N 169 119.264 119.264 108.683 10.581 19637 9668 1 12 . 1 1 169 169 GLY C C 169 175.602 175.602 175.208 0.394 19637 9669 1 12 . 1 1 169 169 GLY CA C 169 46.257 46.257 46.810 -0.553 19637 9670 1 12 . 1 1 169 169 GLY H H 169 9.603 9.603 9.263 0.340 19637 9671 1 12 . 1 1 170 170 GLY N N 170 104.659 104.659 107.438 -2.779 19637 9672 1 12 . 1 1 170 170 GLY C C 170 172.570 172.570 173.553 -0.983 19637 9673 1 12 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.581 -0.541 19637 9674 1 12 . 1 1 170 170 GLY H H 170 8.381 8.381 8.412 -0.031 19637 9675 1 12 . 1 1 171 171 ALA N N 171 123.570 123.570 122.832 0.738 19637 9676 1 12 . 1 1 171 171 ALA C C 171 177.569 177.569 176.263 1.306 19637 9677 1 12 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.864 -0.971 19637 9678 1 12 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.735 -2.405 19637 9679 1 12 . 1 1 171 171 ALA H H 171 7.650 7.650 7.681 -0.031 19637 9680 1 12 . 1 1 172 172 GLN N N 172 124.057 124.057 121.344 2.713 19637 9681 1 12 . 1 1 172 172 GLN C C 172 174.869 174.869 175.079 -0.210 19637 9682 1 12 . 1 1 172 172 GLN CA C 172 56.018 56.018 54.602 1.416 19637 9683 1 12 . 1 1 172 172 GLN CB C 172 28.173 28.173 29.195 -1.022 19637 9684 1 12 . 1 1 172 172 GLN H H 172 8.840 8.840 8.570 0.270 19637 9685 1 12 . 1 1 173 173 GLN N N 173 124.328 124.328 123.530 0.798 19637 9686 1 12 . 1 1 173 173 GLN C C 173 174.953 174.953 173.952 1.001 19637 9687 1 12 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.686 -3.531 19637 9688 1 12 . 1 1 173 173 GLN CB C 173 29.415 29.415 29.671 -0.256 19637 9689 1 12 . 1 1 173 173 GLN H H 173 9.023 9.023 8.376 0.647 19637 9690 1 12 . 1 1 174 174 HIS N N 174 115.629 115.629 113.017 2.612 19637 9691 1 12 . 1 1 174 174 HIS C C 174 173.103 173.103 173.046 0.057 19637 9692 1 12 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.840 -1.394 19637 9693 1 12 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.324 -1.643 19637 9694 1 12 . 1 1 174 174 HIS H H 174 8.227 8.227 7.901 0.326 19637 9695 1 12 . 1 1 175 175 ASP N N 175 120.615 120.615 123.998 -3.383 19637 9696 1 12 . 1 1 175 175 ASP C C 175 175.013 175.013 175.456 -0.443 19637 9697 1 12 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.237 -0.506 19637 9698 1 12 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.929 1.182 19637 9699 1 12 . 1 1 175 175 ASP H H 175 8.964 8.964 8.516 0.448 19637 9700 1 12 . 1 1 176 176 SER N N 176 118.175 118.175 120.743 -2.568 19637 9701 1 12 . 1 1 176 176 SER C C 176 173.496 173.496 174.167 -0.671 19637 9702 1 12 . 1 1 176 176 SER CA C 176 57.697 57.697 57.220 0.477 19637 9703 1 12 . 1 1 176 176 SER CB C 176 62.757 62.757 63.643 -0.886 19637 9704 1 12 . 1 1 176 176 SER H H 176 9.137 9.137 8.709 0.428 19637 9705 1 12 . 1 1 177 177 VAL N N 177 123.737 123.737 127.108 -3.371 19637 9706 1 12 . 1 1 177 177 VAL C C 177 173.398 173.398 175.021 -1.623 19637 9707 1 12 . 1 1 177 177 VAL CA C 177 60.277 60.277 63.282 -3.005 19637 9708 1 12 . 1 1 177 177 VAL CB C 177 32.518 32.518 29.715 2.803 19637 9709 1 12 . 1 1 177 177 VAL H H 177 8.492 8.492 8.360 0.132 19637 9710 1 12 . 1 1 178 178 ARG N N 178 127.628 127.628 125.670 1.958 19637 9711 1 12 . 1 1 178 178 ARG C C 178 175.097 175.097 174.657 0.440 19637 9712 1 12 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.419 -1.402 19637 9713 1 12 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.709 -2.561 19637 9714 1 12 . 1 1 178 178 ARG H H 178 8.513 8.513 7.953 0.560 19637 9715 1 12 . 1 1 182 182 TRP N N 182 115.616 115.616 115.441 0.175 19637 9716 1 12 . 1 1 182 182 TRP C C 182 176.613 176.613 173.907 2.706 19637 9717 1 12 . 1 1 182 182 TRP CA C 182 55.228 55.228 55.403 -0.175 19637 9718 1 12 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.142 0.667 19637 9719 1 12 . 1 1 182 182 TRP H H 182 7.491 7.491 7.932 -0.441 19637 9720 1 12 . 1 1 183 183 VAL N N 183 121.618 121.618 112.689 8.929 19637 9721 1 12 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.399 -1.771 19637 9722 1 12 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.499 -2.803 19637 9723 1 12 . 1 1 183 183 VAL H H 183 9.372 9.372 8.187 1.185 19637 9724 1 12 . 1 1 185 185 MET N N 185 129.032 129.032 128.523 0.509 19637 9725 1 12 . 1 1 185 185 MET C C 185 172.186 172.186 173.869 -1.683 19637 9726 1 12 . 1 1 185 185 MET CA C 185 53.091 53.091 54.419 -1.328 19637 9727 1 12 . 1 1 185 185 MET CB C 185 33.405 33.405 35.183 -1.778 19637 9728 1 12 . 1 1 185 185 MET H H 185 9.615 9.615 8.628 0.987 19637 9729 1 12 . 1 1 186 186 PHE N N 186 124.085 124.085 126.795 -2.710 19637 9730 1 12 . 1 1 186 186 PHE C C 186 174.816 174.816 173.370 1.446 19637 9731 1 12 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.971 -1.839 19637 9732 1 12 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.464 -1.875 19637 9733 1 12 . 1 1 186 186 PHE H H 186 7.976 7.976 8.963 -0.987 19637 9734 1 12 . 1 1 187 187 SER N N 187 116.369 116.369 120.722 -4.353 19637 9735 1 12 . 1 1 187 187 SER C C 187 171.305 171.305 171.888 -0.583 19637 9736 1 12 . 1 1 187 187 SER CA C 187 57.348 57.348 57.389 -0.041 19637 9737 1 12 . 1 1 187 187 SER CB C 187 66.127 66.127 65.612 0.515 19637 9738 1 12 . 1 1 187 187 SER H H 187 9.355 9.355 9.089 0.266 19637 9739 1 12 . 1 1 188 188 ALA N N 188 119.248 119.248 121.287 -2.039 19637 9740 1 12 . 1 1 188 188 ALA C C 188 175.996 175.996 175.854 0.142 19637 9741 1 12 . 1 1 188 188 ALA CA C 188 49.085 49.085 49.969 -0.885 19637 9742 1 12 . 1 1 188 188 ALA CB C 188 21.079 21.079 21.589 -0.510 19637 9743 1 12 . 1 1 188 188 ALA H H 188 8.300 8.300 8.245 0.055 19637 9744 1 12 . 1 1 189 189 GLY N N 189 104.914 104.914 105.190 -0.276 19637 9745 1 12 . 1 1 189 189 GLY C C 189 170.650 170.650 171.613 -0.963 19637 9746 1 12 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.994 -1.948 19637 9747 1 12 . 1 1 189 189 GLY H H 189 9.235 9.235 8.657 0.578 19637 9748 1 12 . 1 1 190 190 TYR N N 190 121.149 121.149 120.312 0.837 19637 9749 1 12 . 1 1 190 190 TYR C C 190 173.608 173.608 173.695 -0.087 19637 9750 1 12 . 1 1 190 190 TYR CA C 190 55.131 55.131 57.075 -1.944 19637 9751 1 12 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.261 -0.899 19637 9752 1 12 . 1 1 190 190 TYR H H 190 8.865 8.865 8.438 0.427 19637 9753 1 12 . 1 1 191 191 ARG N N 191 125.697 125.697 122.352 3.345 19637 9754 1 12 . 1 1 191 191 ARG CA C 191 53.529 53.529 54.944 -1.415 19637 9755 1 12 . 1 1 191 191 ARG CB C 191 29.947 29.947 31.611 -1.664 19637 9756 1 12 . 1 1 191 191 ARG H H 191 7.469 7.469 7.789 -0.320 19637 9757 1 13 . 1 1 2 2 HIS N N 2 119.214 119.214 115.655 3.559 19637 9758 1 13 . 1 1 2 2 HIS C C 2 171.081 171.081 173.309 -2.228 19637 9759 1 13 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.052 -3.764 19637 9760 1 13 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.327 -6.031 19637 9761 1 13 . 1 1 2 2 HIS H H 2 8.422 8.422 7.710 0.712 19637 9762 1 13 . 1 1 3 3 GLU N N 3 113.500 113.500 118.685 -5.185 19637 9763 1 13 . 1 1 3 3 GLU C C 3 174.619 174.619 174.583 0.036 19637 9764 1 13 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.874 -1.212 19637 9765 1 13 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.473 -2.058 19637 9766 1 13 . 1 1 3 3 GLU H H 3 6.642 6.642 8.045 -1.403 19637 9767 1 13 . 1 1 4 4 ALA N N 4 120.680 120.680 122.708 -2.028 19637 9768 1 13 . 1 1 4 4 ALA C C 4 178.439 178.439 178.110 0.329 19637 9769 1 13 . 1 1 4 4 ALA CA C 4 52.376 52.376 54.101 -1.725 19637 9770 1 13 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.806 -0.363 19637 9771 1 13 . 1 1 4 4 ALA H H 4 8.701 8.701 8.489 0.212 19637 9772 1 13 . 1 1 5 5 GLY N N 5 112.786 112.786 112.096 0.690 19637 9773 1 13 . 1 1 5 5 GLY C C 5 173.309 173.309 174.657 -1.348 19637 9774 1 13 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.870 -1.317 19637 9775 1 13 . 1 1 5 5 GLY H H 5 9.294 9.294 8.636 0.658 19637 9776 1 13 . 1 1 6 6 GLU N N 6 121.755 121.755 121.777 -0.022 19637 9777 1 13 . 1 1 6 6 GLU C C 6 173.693 173.693 175.476 -1.783 19637 9778 1 13 . 1 1 6 6 GLU CA C 6 56.018 56.018 56.839 -0.821 19637 9779 1 13 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.282 -0.094 19637 9780 1 13 . 1 1 6 6 GLU H H 6 7.955 7.955 7.845 0.110 19637 9781 1 13 . 1 1 7 7 PHE N N 7 124.802 124.802 121.759 3.043 19637 9782 1 13 . 1 1 7 7 PHE C C 7 174.039 174.039 175.802 -1.763 19637 9783 1 13 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.974 -2.640 19637 9784 1 13 . 1 1 7 7 PHE CB C 7 41.741 41.741 43.790 -2.049 19637 9785 1 13 . 1 1 7 7 PHE H H 7 8.648 8.648 8.713 -0.065 19637 9786 1 13 . 1 1 8 8 PHE N N 8 121.132 121.132 120.974 0.158 19637 9787 1 13 . 1 1 8 8 PHE C C 8 171.861 171.861 173.672 -1.811 19637 9788 1 13 . 1 1 8 8 PHE CA C 8 54.549 54.549 57.837 -3.288 19637 9789 1 13 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.151 -3.474 19637 9790 1 13 . 1 1 8 8 PHE H H 8 8.574 8.574 9.250 -0.676 19637 9791 1 13 . 1 1 9 9 MET N N 9 120.391 120.391 125.340 -4.949 19637 9792 1 13 . 1 1 9 9 MET C C 9 174.166 174.166 174.171 -0.005 19637 9793 1 13 . 1 1 9 9 MET CA C 9 52.199 52.199 55.012 -2.813 19637 9794 1 13 . 1 1 9 9 MET CB C 9 37.307 37.307 36.065 1.242 19637 9795 1 13 . 1 1 9 9 MET H H 9 8.541 8.541 9.017 -0.476 19637 9796 1 13 . 1 1 10 10 ARG N N 10 117.892 117.892 124.352 -6.460 19637 9797 1 13 . 1 1 10 10 ARG C C 10 175.289 175.289 173.764 1.525 19637 9798 1 13 . 1 1 10 10 ARG CA C 10 53.446 53.446 55.262 -1.816 19637 9799 1 13 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.211 -3.845 19637 9800 1 13 . 1 1 10 10 ARG H H 10 8.357 8.357 9.101 -0.744 19637 9801 1 13 . 1 1 11 11 ALA N N 11 119.664 119.664 125.988 -6.324 19637 9802 1 13 . 1 1 11 11 ALA C C 11 176.057 176.057 175.769 0.288 19637 9803 1 13 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.661 -1.029 19637 9804 1 13 . 1 1 11 11 ALA CB C 11 21.518 21.518 22.272 -0.754 19637 9805 1 13 . 1 1 11 11 ALA H H 11 9.154 9.154 8.955 0.199 19637 9806 1 13 . 1 1 12 12 GLY N N 12 106.262 106.262 110.502 -4.240 19637 9807 1 13 . 1 1 12 12 GLY C C 12 172.068 172.068 172.375 -0.307 19637 9808 1 13 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.930 0.219 19637 9809 1 13 . 1 1 12 12 GLY H H 12 8.655 8.655 8.892 -0.237 19637 9810 1 13 . 1 1 13 13 SER N N 13 116.893 116.893 115.477 1.416 19637 9811 1 13 . 1 1 13 13 SER C C 13 173.604 173.604 172.567 1.037 19637 9812 1 13 . 1 1 13 13 SER CA C 13 56.367 56.367 57.664 -1.297 19637 9813 1 13 . 1 1 13 13 SER CB C 13 64.087 64.087 65.216 -1.129 19637 9814 1 13 . 1 1 13 13 SER H H 13 8.644 8.644 7.516 1.128 19637 9815 1 13 . 1 1 14 14 ALA N N 14 125.234 125.234 127.262 -2.028 19637 9816 1 13 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.582 -1.955 19637 9817 1 13 . 1 1 14 14 ALA CB C 14 18.330 18.330 20.001 -1.671 19637 9818 1 13 . 1 1 14 14 ALA H H 14 9.120 9.120 8.140 0.980 19637 9819 1 13 . 1 1 15 15 THR N N 15 121.303 121.303 120.911 0.392 19637 9820 1 13 . 1 1 15 15 THR C C 15 175.230 175.230 173.821 1.409 19637 9821 1 13 . 1 1 15 15 THR CA C 15 60.895 60.895 62.051 -1.156 19637 9822 1 13 . 1 1 15 15 THR CB C 15 70.029 70.029 68.751 1.278 19637 9823 1 13 . 1 1 15 15 THR H H 15 9.351 9.351 8.586 0.765 19637 9824 1 13 . 1 1 16 16 VAL N N 16 126.781 126.781 123.268 3.513 19637 9825 1 13 . 1 1 16 16 VAL C C 16 174.432 174.432 175.038 -0.606 19637 9826 1 13 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.516 -0.710 19637 9827 1 13 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.587 -1.665 19637 9828 1 13 . 1 1 16 16 VAL H H 16 9.110 9.110 8.468 0.642 19637 9829 1 13 . 1 1 17 17 ARG N N 17 129.806 129.806 127.410 2.396 19637 9830 1 13 . 1 1 17 17 ARG C C 17 173.440 173.440 174.477 -1.037 19637 9831 1 13 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.868 -1.462 19637 9832 1 13 . 1 1 17 17 ARG CB C 17 30.302 30.302 32.689 -2.387 19637 9833 1 13 . 1 1 17 17 ARG H H 17 9.325 9.325 8.483 0.842 19637 9834 1 13 . 1 1 19 19 THR N N 19 114.402 114.402 114.371 0.031 19637 9835 1 13 . 1 1 19 19 THR CA C 19 61.022 61.022 64.620 -3.598 19637 9836 1 13 . 1 1 19 19 THR CB C 19 69.142 69.142 69.037 0.105 19637 9837 1 13 . 1 1 19 19 THR H H 19 8.021 8.021 8.403 -0.382 19637 9838 1 13 . 1 1 20 20 GLU N N 20 123.598 123.598 119.050 4.548 19637 9839 1 13 . 1 1 20 20 GLU C C 20 177.007 177.007 175.957 1.050 19637 9840 1 13 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.225 -0.745 19637 9841 1 13 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.592 -2.798 19637 9842 1 13 . 1 1 20 20 GLU H H 20 8.601 8.601 8.041 0.560 19637 9843 1 13 . 1 1 21 21 GLY N N 21 110.237 110.237 108.778 1.459 19637 9844 1 13 . 1 1 21 21 GLY C C 21 174.077 174.077 174.155 -0.078 19637 9845 1 13 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.055 -0.394 19637 9846 1 13 . 1 1 21 21 GLY H H 21 8.530 8.530 8.500 0.030 19637 9847 1 13 . 1 1 22 22 ALA N N 22 123.476 123.476 124.315 -0.839 19637 9848 1 13 . 1 1 22 22 ALA C C 22 178.158 178.158 178.937 -0.779 19637 9849 1 13 . 1 1 22 22 ALA CA C 22 51.755 51.755 54.435 -2.680 19637 9850 1 13 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.476 -1.698 19637 9851 1 13 . 1 1 22 22 ALA H H 22 8.279 8.279 10.319 -2.040 19637 9852 1 13 . 1 1 23 23 GLY N N 23 107.265 107.265 105.778 1.487 19637 9853 1 13 . 1 1 23 23 GLY C C 23 174.727 174.727 174.899 -0.172 19637 9854 1 13 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.880 -1.440 19637 9855 1 13 . 1 1 23 23 GLY H H 23 8.452 8.452 9.682 -1.230 19637 9856 1 13 . 1 1 24 24 GLY N N 24 108.306 108.306 108.773 -0.467 19637 9857 1 13 . 1 1 24 24 GLY C C 24 174.786 174.786 173.360 1.426 19637 9858 1 13 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.843 -1.403 19637 9859 1 13 . 1 1 24 24 GLY H H 24 8.221 8.221 8.141 0.080 19637 9860 1 13 . 1 1 25 25 THR N N 25 114.381 114.381 112.640 1.741 19637 9861 1 13 . 1 1 25 25 THR C C 25 175.170 175.170 175.380 -0.210 19637 9862 1 13 . 1 1 25 25 THR CA C 25 61.599 61.599 61.513 0.086 19637 9863 1 13 . 1 1 25 25 THR CB C 25 68.521 68.521 69.239 -0.718 19637 9864 1 13 . 1 1 25 25 THR H H 25 8.213 8.213 8.403 -0.190 19637 9865 1 13 . 1 1 26 26 LEU N N 26 123.038 123.038 121.418 1.620 19637 9866 1 13 . 1 1 26 26 LEU C C 26 177.918 177.918 176.600 1.318 19637 9867 1 13 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.204 -0.522 19637 9868 1 13 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.152 -1.007 19637 9869 1 13 . 1 1 26 26 LEU H H 26 8.425 8.425 8.073 0.352 19637 9870 1 13 . 1 1 27 27 GLY N N 27 108.786 108.786 106.917 1.869 19637 9871 1 13 . 1 1 27 27 GLY C C 27 175.023 175.023 173.979 1.044 19637 9872 1 13 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.435 -0.596 19637 9873 1 13 . 1 1 27 27 GLY H H 27 8.260 8.260 8.123 0.137 19637 9874 1 13 . 1 1 28 28 SER N N 28 116.175 116.175 118.961 -2.786 19637 9875 1 13 . 1 1 28 28 SER CA C 28 58.140 58.140 58.842 -0.702 19637 9876 1 13 . 1 1 28 28 SER CB C 28 62.846 62.846 63.873 -1.027 19637 9877 1 13 . 1 1 28 28 SER H H 28 8.330 8.330 8.544 -0.214 19637 9878 1 13 . 1 1 29 29 LEU N N 29 122.260 122.260 121.751 0.509 19637 9879 1 13 . 1 1 29 29 LEU C C 29 177.512 177.512 176.108 1.404 19637 9880 1 13 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.194 -0.778 19637 9881 1 13 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.827 -3.505 19637 9882 1 13 . 1 1 29 29 LEU H H 29 8.157 8.157 8.139 0.018 19637 9883 1 13 . 1 1 30 30 GLY N N 30 107.575 107.575 108.545 -0.970 19637 9884 1 13 . 1 1 30 30 GLY C C 30 174.225 174.225 175.566 -1.341 19637 9885 1 13 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.863 -0.335 19637 9886 1 13 . 1 1 30 30 GLY H H 30 8.144 8.144 8.370 -0.226 19637 9887 1 13 . 1 1 31 31 GLY N N 31 107.996 107.996 107.451 0.545 19637 9888 1 13 . 1 1 31 31 GLY C C 31 173.664 173.664 174.349 -0.685 19637 9889 1 13 . 1 1 31 31 GLY CA C 31 44.218 44.218 45.021 -0.803 19637 9890 1 13 . 1 1 31 31 GLY H H 31 8.044 8.044 8.176 -0.132 19637 9891 1 13 . 1 1 32 32 PHE N N 32 119.248 119.248 120.488 -1.240 19637 9892 1 13 . 1 1 32 32 PHE C C 32 175.495 175.495 174.726 0.769 19637 9893 1 13 . 1 1 32 32 PHE CA C 32 56.373 56.373 55.954 0.419 19637 9894 1 13 . 1 1 32 32 PHE CB C 32 39.258 39.258 40.573 -1.315 19637 9895 1 13 . 1 1 32 32 PHE H H 32 8.181 8.181 7.724 0.457 19637 9896 1 13 . 1 1 33 33 SER N N 33 117.720 117.720 116.793 0.927 19637 9897 1 13 . 1 1 33 33 SER C C 33 173.368 173.368 171.813 1.555 19637 9898 1 13 . 1 1 33 33 SER CA C 33 55.746 55.746 58.630 -2.884 19637 9899 1 13 . 1 1 33 33 SER CB C 33 64.265 64.265 64.012 0.253 19637 9900 1 13 . 1 1 33 33 SER H H 33 8.771 8.771 8.717 0.054 19637 9901 1 13 . 1 1 34 34 VAL N N 34 123.007 123.007 124.467 -1.460 19637 9902 1 13 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.061 -0.635 19637 9903 1 13 . 1 1 34 34 VAL CB C 34 32.785 32.785 35.489 -2.704 19637 9904 1 13 . 1 1 34 34 VAL H H 34 8.525 8.525 8.214 0.311 19637 9905 1 13 . 1 1 35 35 THR N N 35 115.459 115.459 120.004 -4.545 19637 9906 1 13 . 1 1 35 35 THR CA C 35 61.200 61.200 62.500 -1.300 19637 9907 1 13 . 1 1 35 35 THR CB C 35 69.851 69.851 68.800 1.051 19637 9908 1 13 . 1 1 35 35 THR H H 35 8.147 8.147 8.293 -0.146 19637 9909 1 13 . 1 1 36 36 ASN N N 36 118.274 118.274 122.798 -4.524 19637 9910 1 13 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.291 -1.884 19637 9911 1 13 . 1 1 36 36 ASN CB C 36 38.105 38.105 40.639 -2.534 19637 9912 1 13 . 1 1 36 36 ASN H H 36 8.719 8.719 8.809 -0.090 19637 9913 1 13 . 1 1 37 37 ASN N N 37 115.657 115.657 119.985 -4.328 19637 9914 1 13 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.767 2.098 19637 9915 1 13 . 1 1 37 37 ASN CB C 37 44.312 44.312 39.612 4.699 19637 9916 1 13 . 1 1 37 37 ASN H H 37 8.432 8.432 8.166 0.266 19637 9917 1 13 . 1 1 38 38 THR N N 38 122.444 122.444 115.143 7.301 19637 9918 1 13 . 1 1 38 38 THR CA C 38 61.288 61.288 62.239 -0.951 19637 9919 1 13 . 1 1 38 38 THR CB C 38 69.142 69.142 67.397 1.745 19637 9920 1 13 . 1 1 38 38 THR H H 38 8.095 8.095 8.524 -0.429 19637 9921 1 13 . 1 1 40 40 LEU N N 40 120.457 120.457 119.064 1.393 19637 9922 1 13 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.425 -1.098 19637 9923 1 13 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.019 -1.801 19637 9924 1 13 . 1 1 40 40 LEU H H 40 6.902 6.902 8.210 -1.308 19637 9925 1 13 . 1 1 41 41 GLY N N 41 111.223 111.223 109.775 1.448 19637 9926 1 13 . 1 1 41 41 GLY C C 41 171.034 171.034 171.881 -0.847 19637 9927 1 13 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.010 -1.167 19637 9928 1 13 . 1 1 41 41 GLY H H 41 8.978 8.978 8.691 0.287 19637 9929 1 13 . 1 1 42 42 LEU N N 42 122.123 122.123 117.916 4.207 19637 9930 1 13 . 1 1 42 42 LEU C C 42 175.350 175.350 174.743 0.607 19637 9931 1 13 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.193 -2.038 19637 9932 1 13 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.977 -0.600 19637 9933 1 13 . 1 1 42 42 LEU H H 42 8.679 8.679 8.422 0.257 19637 9934 1 13 . 1 1 43 43 THR N N 43 109.917 109.917 116.396 -6.479 19637 9935 1 13 . 1 1 43 43 THR C C 43 173.516 173.516 172.665 0.851 19637 9936 1 13 . 1 1 43 43 THR CA C 43 58.057 58.057 60.909 -2.852 19637 9937 1 13 . 1 1 43 43 THR CB C 43 70.029 70.029 71.537 -1.508 19637 9938 1 13 . 1 1 43 43 THR H H 43 8.792 8.792 8.952 -0.160 19637 9939 1 13 . 1 1 44 44 PHE N N 44 118.699 118.699 121.457 -2.758 19637 9940 1 13 . 1 1 44 44 PHE C C 44 173.917 173.917 173.085 0.832 19637 9941 1 13 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.774 -0.294 19637 9942 1 13 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.382 -1.617 19637 9943 1 13 . 1 1 44 44 PHE H H 44 8.566 8.566 8.774 -0.208 19637 9944 1 13 . 1 1 45 45 THR N N 45 118.229 118.229 113.629 4.600 19637 9945 1 13 . 1 1 45 45 THR C C 45 170.886 170.886 172.321 -1.435 19637 9946 1 13 . 1 1 45 45 THR CA C 45 60.097 60.097 61.276 -1.179 19637 9947 1 13 . 1 1 45 45 THR CB C 45 68.433 68.433 72.011 -3.578 19637 9948 1 13 . 1 1 45 45 THR H H 45 7.903 7.903 9.135 -1.232 19637 9949 1 13 . 1 1 46 46 TYR N N 46 124.450 124.450 125.434 -0.984 19637 9950 1 13 . 1 1 46 46 TYR C C 46 174.254 174.254 174.027 0.227 19637 9951 1 13 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.099 -1.949 19637 9952 1 13 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.270 2.003 19637 9953 1 13 . 1 1 46 46 TYR H H 46 8.941 8.941 9.103 -0.162 19637 9954 1 13 . 1 1 47 47 MET N N 47 123.598 123.598 126.866 -3.268 19637 9955 1 13 . 1 1 47 47 MET C C 47 175.082 175.082 175.209 -0.127 19637 9956 1 13 . 1 1 47 47 MET CA C 47 50.425 50.425 55.936 -5.511 19637 9957 1 13 . 1 1 47 47 MET CB C 47 26.222 26.222 32.888 -6.665 19637 9958 1 13 . 1 1 47 47 MET H H 47 7.798 7.798 8.979 -1.181 19637 9959 1 13 . 1 1 48 48 ALA N N 48 129.975 129.975 128.031 1.944 19637 9960 1 13 . 1 1 48 48 ALA C C 48 178.568 178.568 176.825 1.743 19637 9961 1 13 . 1 1 48 48 ALA CA C 48 53.305 53.305 51.869 1.436 19637 9962 1 13 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.829 -2.118 19637 9963 1 13 . 1 1 48 48 ALA H H 48 8.717 8.717 8.675 0.042 19637 9964 1 13 . 1 1 49 49 THR N N 49 106.011 106.011 111.988 -5.977 19637 9965 1 13 . 1 1 49 49 THR C C 49 171.950 171.950 172.398 -0.448 19637 9966 1 13 . 1 1 49 49 THR CA C 49 57.786 57.786 60.579 -2.793 19637 9967 1 13 . 1 1 49 49 THR CB C 49 70.535 70.535 70.312 0.223 19637 9968 1 13 . 1 1 49 49 THR H H 49 8.072 8.072 7.617 0.455 19637 9969 1 13 . 1 1 50 50 ASP N N 50 114.062 114.062 119.367 -5.305 19637 9970 1 13 . 1 1 50 50 ASP C C 50 175.318 175.318 175.347 -0.029 19637 9971 1 13 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.228 0.548 19637 9972 1 13 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.190 -0.400 19637 9973 1 13 . 1 1 50 50 ASP H H 50 8.390 8.390 8.570 -0.180 19637 9974 1 13 . 1 1 51 51 ASN N N 51 111.850 111.850 113.506 -1.656 19637 9975 1 13 . 1 1 51 51 ASN C C 51 171.684 171.684 173.267 -1.583 19637 9976 1 13 . 1 1 51 51 ASN CA C 51 54.416 54.416 53.602 0.814 19637 9977 1 13 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.799 1.434 19637 9978 1 13 . 1 1 51 51 ASN H H 51 7.887 7.887 7.908 -0.021 19637 9979 1 13 . 1 1 52 52 ILE N N 52 118.929 118.929 120.761 -1.832 19637 9980 1 13 . 1 1 52 52 ILE C C 52 175.495 175.495 175.323 0.172 19637 9981 1 13 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.518 -0.870 19637 9982 1 13 . 1 1 52 52 ILE CB C 52 37.484 37.484 39.540 -2.056 19637 9983 1 13 . 1 1 52 52 ILE H H 52 7.707 7.707 7.652 0.055 19637 9984 1 13 . 1 1 53 53 GLY N N 53 114.998 114.998 113.924 1.074 19637 9985 1 13 . 1 1 53 53 GLY C C 53 171.536 171.536 172.039 -0.503 19637 9986 1 13 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.591 -0.659 19637 9987 1 13 . 1 1 53 53 GLY H H 53 8.678 8.678 8.639 0.039 19637 9988 1 13 . 1 1 54 54 VAL N N 54 118.327 118.327 119.524 -1.197 19637 9989 1 13 . 1 1 54 54 VAL C C 54 173.309 173.309 174.618 -1.309 19637 9990 1 13 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.308 -1.660 19637 9991 1 13 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.360 -1.487 19637 9992 1 13 . 1 1 54 54 VAL H H 54 8.734 8.734 8.139 0.595 19637 9993 1 13 . 1 1 55 55 GLU N N 55 126.907 126.907 127.523 -0.616 19637 9994 1 13 . 1 1 55 55 GLU C C 55 173.575 173.575 174.415 -0.840 19637 9995 1 13 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.099 -0.829 19637 9996 1 13 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.369 2.358 19637 9997 1 13 . 1 1 55 55 GLU H H 55 9.084 9.084 9.074 0.010 19637 9998 1 13 . 1 1 56 56 LEU N N 56 126.739 126.739 124.359 2.380 19637 9999 1 13 . 1 1 56 56 LEU C C 56 174.786 174.786 173.951 0.835 19637 10000 1 13 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.788 -1.855 19637 10001 1 13 . 1 1 56 56 LEU CB C 56 45.022 45.022 44.541 0.481 19637 10002 1 13 . 1 1 56 56 LEU H H 56 9.168 9.168 8.588 0.580 19637 10003 1 13 . 1 1 57 57 LEU N N 57 127.189 127.189 127.518 -0.329 19637 10004 1 13 . 1 1 57 57 LEU C C 57 174.579 174.579 174.778 -0.199 19637 10005 1 13 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.363 -1.272 19637 10006 1 13 . 1 1 57 57 LEU CB C 57 43.160 43.160 42.895 0.265 19637 10007 1 13 . 1 1 57 57 LEU H H 57 9.174 9.174 9.167 0.007 19637 10008 1 13 . 1 1 58 58 ALA N N 58 125.061 125.061 126.387 -1.326 19637 10009 1 13 . 1 1 58 58 ALA C C 58 172.925 172.925 175.091 -2.166 19637 10010 1 13 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.607 -1.683 19637 10011 1 13 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.642 -1.563 19637 10012 1 13 . 1 1 58 58 ALA H H 58 9.435 9.435 8.815 0.620 19637 10013 1 13 . 1 1 59 59 ALA N N 59 116.911 116.911 119.528 -2.617 19637 10014 1 13 . 1 1 59 59 ALA C C 59 176.248 176.248 176.396 -0.148 19637 10015 1 13 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.056 -1.985 19637 10016 1 13 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.571 -0.912 19637 10017 1 13 . 1 1 59 59 ALA H H 59 6.833 6.833 8.049 -1.216 19637 10018 1 13 . 1 1 60 60 THR N N 60 105.771 105.771 114.127 -8.356 19637 10019 1 13 . 1 1 60 60 THR C C 60 170.975 170.975 172.962 -1.987 19637 10020 1 13 . 1 1 60 60 THR CA C 60 59.515 59.515 61.445 -1.930 19637 10021 1 13 . 1 1 60 60 THR CB C 60 63.487 63.487 68.229 -4.742 19637 10022 1 13 . 1 1 60 60 THR H H 60 7.718 7.718 7.994 -0.276 19637 10023 1 13 . 1 1 62 62 PHE N N 62 122.473 122.473 121.871 0.602 19637 10024 1 13 . 1 1 62 62 PHE C C 62 174.934 174.934 174.636 0.298 19637 10025 1 13 . 1 1 62 62 PHE CA C 62 56.721 56.721 55.740 0.981 19637 10026 1 13 . 1 1 62 62 PHE CB C 62 39.613 39.613 42.561 -2.948 19637 10027 1 13 . 1 1 62 62 PHE H H 62 8.251 8.251 8.048 0.203 19637 10028 1 13 . 1 1 63 63 ARG N N 63 118.016 118.016 120.249 -2.233 19637 10029 1 13 . 1 1 63 63 ARG C C 63 174.423 174.423 173.677 0.746 19637 10030 1 13 . 1 1 63 63 ARG CA C 63 52.648 52.648 56.099 -3.451 19637 10031 1 13 . 1 1 63 63 ARG CB C 63 31.898 31.898 34.156 -2.258 19637 10032 1 13 . 1 1 63 63 ARG H H 63 7.378 7.378 8.791 -1.413 19637 10033 1 13 . 1 1 64 64 HIS N N 64 120.040 120.040 125.427 -5.387 19637 10034 1 13 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.184 -2.231 19637 10035 1 13 . 1 1 64 64 HIS H H 64 8.588 8.588 8.706 -0.118 19637 10036 1 13 . 1 1 66 66 ILE N N 66 122.668 122.668 119.826 2.842 19637 10037 1 13 . 1 1 66 66 ILE C C 66 175.141 175.141 175.020 0.121 19637 10038 1 13 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.854 -2.891 19637 10039 1 13 . 1 1 66 66 ILE CB C 66 38.637 38.637 40.033 -1.396 19637 10040 1 13 . 1 1 66 66 ILE H H 66 8.726 8.726 8.577 0.149 19637 10041 1 13 . 1 1 67 67 GLY N N 67 114.948 114.948 116.890 -1.942 19637 10042 1 13 . 1 1 67 67 GLY C C 67 172.570 172.570 173.658 -1.088 19637 10043 1 13 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.922 -0.793 19637 10044 1 13 . 1 1 67 67 GLY H H 67 8.780 8.780 8.672 0.108 19637 10045 1 13 . 1 1 68 68 THR N N 68 106.079 106.079 114.850 -8.771 19637 10046 1 13 . 1 1 68 68 THR C C 68 175.574 175.574 172.963 2.611 19637 10047 1 13 . 1 1 68 68 THR CA C 68 58.672 58.672 61.510 -2.838 19637 10048 1 13 . 1 1 68 68 THR CB C 68 71.270 71.270 69.842 1.428 19637 10049 1 13 . 1 1 68 68 THR H H 68 7.431 7.431 7.499 -0.068 19637 10050 1 13 . 1 1 69 69 ARG N N 69 122.303 122.303 121.106 1.197 19637 10051 1 13 . 1 1 69 69 ARG C C 69 178.298 178.298 176.269 2.029 19637 10052 1 13 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.113 1.116 19637 10053 1 13 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.462 -2.289 19637 10054 1 13 . 1 1 69 69 ARG H H 69 8.783 8.783 8.730 0.053 19637 10055 1 13 . 1 1 70 70 ALA N N 70 117.681 117.681 124.310 -6.629 19637 10056 1 13 . 1 1 70 70 ALA C C 70 179.281 179.281 178.000 1.281 19637 10057 1 13 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.075 -0.806 19637 10058 1 13 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.596 -0.622 19637 10059 1 13 . 1 1 70 70 ALA H H 70 8.262 8.262 8.644 -0.382 19637 10060 1 13 . 1 1 71 71 THR N N 71 105.486 105.486 109.454 -3.968 19637 10061 1 13 . 1 1 71 71 THR C C 71 176.136 176.136 176.456 -0.320 19637 10062 1 13 . 1 1 71 71 THR CA C 71 60.895 60.895 62.375 -1.480 19637 10063 1 13 . 1 1 71 71 THR CB C 71 70.383 70.383 68.783 1.600 19637 10064 1 13 . 1 1 71 71 THR H H 71 7.473 7.473 7.606 -0.133 19637 10065 1 13 . 1 1 72 72 GLY N N 72 111.099 111.099 110.076 1.023 19637 10066 1 13 . 1 1 72 72 GLY C C 72 175.052 175.052 174.830 0.222 19637 10067 1 13 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.662 -1.616 19637 10068 1 13 . 1 1 72 72 GLY H H 72 8.194 8.194 7.700 0.494 19637 10069 1 13 . 1 1 73 73 ASP N N 73 121.919 121.919 118.923 2.996 19637 10070 1 13 . 1 1 73 73 ASP C C 73 177.889 177.889 176.054 1.835 19637 10071 1 13 . 1 1 73 73 ASP CA C 73 55.042 55.042 54.953 0.089 19637 10072 1 13 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.095 -0.571 19637 10073 1 13 . 1 1 73 73 ASP H H 73 8.668 8.668 8.487 0.181 19637 10074 1 13 . 1 1 74 74 ILE N N 74 117.113 117.113 113.845 3.268 19637 10075 1 13 . 1 1 74 74 ILE C C 74 175.013 175.013 174.971 0.042 19637 10076 1 13 . 1 1 74 74 ILE CA C 74 59.914 59.914 60.579 -0.665 19637 10077 1 13 . 1 1 74 74 ILE CB C 74 41.297 41.297 39.337 1.960 19637 10078 1 13 . 1 1 74 74 ILE H H 74 9.327 9.327 7.241 2.086 19637 10079 1 13 . 1 1 75 75 ALA N N 75 121.329 121.329 120.629 0.700 19637 10080 1 13 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.404 0.021 19637 10081 1 13 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.429 1.094 19637 10082 1 13 . 1 1 75 75 ALA H H 75 8.086 8.086 7.842 0.244 19637 10083 1 13 . 1 1 76 76 THR N N 76 116.168 116.168 115.823 0.345 19637 10084 1 13 . 1 1 76 76 THR C C 76 173.043 173.043 173.151 -0.108 19637 10085 1 13 . 1 1 76 76 THR CA C 76 60.540 60.540 63.228 -2.688 19637 10086 1 13 . 1 1 76 76 THR CB C 76 69.674 69.674 68.348 1.326 19637 10087 1 13 . 1 1 76 76 THR H H 76 8.539 8.539 8.069 0.470 19637 10088 1 13 . 1 1 77 77 VAL N N 77 117.996 117.996 126.794 -8.798 19637 10089 1 13 . 1 1 77 77 VAL C C 77 174.964 174.964 174.040 0.924 19637 10090 1 13 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.066 -2.718 19637 10091 1 13 . 1 1 77 77 VAL CB C 77 34.026 34.026 35.542 -1.516 19637 10092 1 13 . 1 1 77 77 VAL H H 77 8.578 8.578 8.008 0.570 19637 10093 1 13 . 1 1 78 78 HIS N N 78 116.541 116.541 121.115 -4.574 19637 10094 1 13 . 1 1 78 78 HIS C C 78 173.634 173.634 174.242 -0.608 19637 10095 1 13 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.113 -2.288 19637 10096 1 13 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.636 -1.689 19637 10097 1 13 . 1 1 78 78 HIS H H 78 7.822 7.822 8.267 -0.445 19637 10098 1 13 . 1 1 79 79 HIS N N 79 113.176 113.176 119.532 -6.356 19637 10099 1 13 . 1 1 79 79 HIS C C 79 173.841 173.841 175.383 -1.542 19637 10100 1 13 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.139 -0.723 19637 10101 1 13 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.673 2.353 19637 10102 1 13 . 1 1 79 79 HIS H H 79 7.912 7.912 8.329 -0.417 19637 10103 1 13 . 1 1 80 80 LEU N N 80 118.153 118.153 120.390 -2.237 19637 10104 1 13 . 1 1 80 80 LEU C C 80 177.821 177.821 176.069 1.752 19637 10105 1 13 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.069 -0.910 19637 10106 1 13 . 1 1 80 80 LEU CB C 80 46.263 46.263 39.893 6.370 19637 10107 1 13 . 1 1 80 80 LEU H H 80 8.205 8.205 7.981 0.224 19637 10108 1 13 . 1 1 83 83 THR N N 83 115.326 115.326 114.439 0.887 19637 10109 1 13 . 1 1 83 83 THR C C 83 171.362 171.362 173.153 -1.791 19637 10110 1 13 . 1 1 83 83 THR CA C 83 60.540 60.540 60.106 0.434 19637 10111 1 13 . 1 1 83 83 THR CB C 83 72.068 72.068 70.693 1.375 19637 10112 1 13 . 1 1 83 83 THR H H 83 7.688 7.688 8.079 -0.391 19637 10113 1 13 . 1 1 84 84 LEU N N 84 129.848 129.848 124.007 5.841 19637 10114 1 13 . 1 1 84 84 LEU C C 84 174.373 174.373 174.524 -0.151 19637 10115 1 13 . 1 1 84 84 LEU CA C 84 52.421 52.421 53.882 -1.461 19637 10116 1 13 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.675 -0.919 19637 10117 1 13 . 1 1 84 84 LEU H H 84 9.013 9.013 8.381 0.632 19637 10118 1 13 . 1 1 85 85 MET N N 85 121.374 121.374 121.321 0.053 19637 10119 1 13 . 1 1 85 85 MET C C 85 175.407 175.407 174.410 0.997 19637 10120 1 13 . 1 1 85 85 MET CA C 85 52.421 52.421 54.257 -1.835 19637 10121 1 13 . 1 1 85 85 MET CB C 85 34.558 34.558 37.569 -3.011 19637 10122 1 13 . 1 1 85 85 MET H H 85 9.823 9.823 8.989 0.834 19637 10123 1 13 . 1 1 86 86 ALA N N 86 123.689 123.689 121.289 2.400 19637 10124 1 13 . 1 1 86 86 ALA C C 86 176.205 176.205 176.273 -0.068 19637 10125 1 13 . 1 1 86 86 ALA CA C 86 49.805 49.805 52.803 -2.998 19637 10126 1 13 . 1 1 86 86 ALA CB C 86 18.951 18.951 19.383 -0.431 19637 10127 1 13 . 1 1 86 86 ALA H H 86 9.080 9.080 8.323 0.757 19637 10128 1 13 . 1 1 87 87 GLN N N 87 116.548 116.548 117.315 -0.767 19637 10129 1 13 . 1 1 87 87 GLN C C 87 175.495 175.495 173.488 2.007 19637 10130 1 13 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.714 -2.356 19637 10131 1 13 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.743 1.549 19637 10132 1 13 . 1 1 87 87 GLN H H 87 9.061 9.061 8.488 0.573 19637 10133 1 13 . 1 1 88 88 TRP N N 88 119.609 119.609 125.981 -6.372 19637 10134 1 13 . 1 1 88 88 TRP C C 88 174.727 174.727 173.635 1.092 19637 10135 1 13 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.077 -1.123 19637 10136 1 13 . 1 1 88 88 TRP CB C 88 30.479 30.479 32.150 -1.671 19637 10137 1 13 . 1 1 88 88 TRP H H 88 8.893 8.893 8.770 0.123 19637 10138 1 13 . 1 1 89 89 TYR N N 89 124.849 124.849 124.526 0.323 19637 10139 1 13 . 1 1 89 89 TYR C C 89 176.382 176.382 173.409 2.973 19637 10140 1 13 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.768 -0.726 19637 10141 1 13 . 1 1 89 89 TYR H H 89 8.815 8.815 8.150 0.665 19637 10142 1 13 . 1 1 90 90 PHE N N 90 122.137 122.137 124.524 -2.387 19637 10143 1 13 . 1 1 90 90 PHE C C 90 176.304 176.304 173.595 2.709 19637 10144 1 13 . 1 1 90 90 PHE CA C 90 57.821 57.821 56.844 0.977 19637 10145 1 13 . 1 1 90 90 PHE CB C 90 38.460 38.460 42.043 -3.583 19637 10146 1 13 . 1 1 90 90 PHE H H 90 9.171 9.171 8.071 1.100 19637 10147 1 13 . 1 1 91 91 GLY N N 91 108.961 108.961 114.034 -5.073 19637 10148 1 13 . 1 1 91 91 GLY C C 91 172.748 172.748 172.193 0.555 19637 10149 1 13 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.119 -0.788 19637 10150 1 13 . 1 1 91 91 GLY H H 91 9.342 9.342 7.837 1.505 19637 10151 1 13 . 1 1 92 92 ASP N N 92 119.869 119.869 119.662 0.207 19637 10152 1 13 . 1 1 92 92 ASP C C 92 175.968 175.968 175.992 -0.024 19637 10153 1 13 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.548 -2.926 19637 10154 1 13 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.646 -0.083 19637 10155 1 13 . 1 1 92 92 ASP H H 92 8.612 8.612 8.481 0.131 19637 10156 1 13 . 1 1 93 93 ALA N N 93 117.665 117.665 121.086 -3.421 19637 10157 1 13 . 1 1 93 93 ALA C C 93 178.748 178.748 176.091 2.657 19637 10158 1 13 . 1 1 93 93 ALA CA C 93 53.180 53.180 53.024 0.156 19637 10159 1 13 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.105 -3.194 19637 10160 1 13 . 1 1 93 93 ALA H H 93 8.673 8.673 8.044 0.629 19637 10161 1 13 . 1 1 94 94 SER N N 94 115.062 115.062 114.775 0.287 19637 10162 1 13 . 1 1 94 94 SER C C 94 175.348 175.348 173.624 1.724 19637 10163 1 13 . 1 1 94 94 SER CA C 94 58.185 58.185 58.198 -0.013 19637 10164 1 13 . 1 1 94 94 SER CB C 94 62.757 62.757 63.099 -0.342 19637 10165 1 13 . 1 1 94 94 SER H H 94 8.902 8.902 8.262 0.640 19637 10166 1 13 . 1 1 95 95 SER N N 95 120.754 120.754 119.745 1.009 19637 10167 1 13 . 1 1 95 95 SER CA C 95 58.451 58.451 57.118 1.333 19637 10168 1 13 . 1 1 95 95 SER CB C 95 62.580 62.580 64.602 -2.022 19637 10169 1 13 . 1 1 95 95 SER H H 95 7.922 7.922 7.738 0.184 19637 10170 1 13 . 1 1 96 96 LYS N N 96 120.924 120.924 119.505 1.419 19637 10171 1 13 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.474 -1.875 19637 10172 1 13 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.194 -1.828 19637 10173 1 13 . 1 1 96 96 LYS H H 96 8.555 8.555 8.655 -0.100 19637 10174 1 13 . 1 1 97 97 PHE N N 97 117.773 117.773 116.574 1.199 19637 10175 1 13 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.397 -1.709 19637 10176 1 13 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.953 -0.631 19637 10177 1 13 . 1 1 97 97 PHE H H 97 7.596 7.596 7.566 0.030 19637 10178 1 13 . 1 1 98 98 ARG N N 98 120.982 120.982 125.095 -4.113 19637 10179 1 13 . 1 1 98 98 ARG C C 98 173.047 173.047 174.040 -0.993 19637 10180 1 13 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.426 0.045 19637 10181 1 13 . 1 1 98 98 ARG CB C 98 31.632 31.632 33.134 -1.502 19637 10182 1 13 . 1 1 98 98 ARG H H 98 8.823 8.823 9.007 -0.184 19637 10183 1 13 . 1 1 100 100 TYR N N 100 117.775 117.775 118.378 -0.603 19637 10184 1 13 . 1 1 100 100 TYR C C 100 173.047 173.047 172.630 0.417 19637 10185 1 13 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.499 -2.545 19637 10186 1 13 . 1 1 100 100 TYR CB C 100 39.524 39.524 40.547 -1.023 19637 10187 1 13 . 1 1 100 100 TYR H H 100 8.885 8.885 8.577 0.308 19637 10188 1 13 . 1 1 101 101 VAL N N 101 111.744 111.744 129.422 -17.678 19637 10189 1 13 . 1 1 101 101 VAL C C 101 173.457 173.457 173.581 -0.124 19637 10190 1 13 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.254 -2.149 19637 10191 1 13 . 1 1 101 101 VAL CB C 101 34.381 34.381 34.376 0.005 19637 10192 1 13 . 1 1 101 101 VAL H H 101 8.365 8.365 8.193 0.172 19637 10193 1 13 . 1 1 102 102 GLY N N 102 108.300 108.300 116.140 -7.840 19637 10194 1 13 . 1 1 102 102 GLY C C 102 171.241 171.241 171.974 -0.733 19637 10195 1 13 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.230 0.742 19637 10196 1 13 . 1 1 102 102 GLY H H 102 8.271 8.271 8.773 -0.502 19637 10197 1 13 . 1 1 103 103 ALA N N 103 120.836 120.836 121.074 -0.238 19637 10198 1 13 . 1 1 103 103 ALA C C 103 175.614 175.614 174.993 0.621 19637 10199 1 13 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.937 -2.103 19637 10200 1 13 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.887 -0.169 19637 10201 1 13 . 1 1 103 103 ALA H H 103 9.048 9.048 8.545 0.503 19637 10202 1 13 . 1 1 104 104 GLY N N 104 107.477 107.477 108.709 -1.232 19637 10203 1 13 . 1 1 104 104 GLY C C 104 171.832 171.832 172.287 -0.455 19637 10204 1 13 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.108 3.371 19637 10205 1 13 . 1 1 104 104 GLY H H 104 8.661 8.661 8.889 -0.228 19637 10206 1 13 . 1 1 105 105 ILE N N 105 118.575 118.575 121.226 -2.651 19637 10207 1 13 . 1 1 105 105 ILE C C 105 172.275 172.275 174.478 -2.203 19637 10208 1 13 . 1 1 105 105 ILE CA C 105 57.348 57.348 59.602 -2.254 19637 10209 1 13 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.660 0.992 19637 10210 1 13 . 1 1 105 105 ILE H H 105 9.020 9.020 8.438 0.582 19637 10211 1 13 . 1 1 106 106 ASN N N 106 123.879 123.879 128.391 -4.512 19637 10212 1 13 . 1 1 106 106 ASN C C 106 171.418 171.418 173.569 -2.151 19637 10213 1 13 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.640 -0.056 19637 10214 1 13 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.265 1.589 19637 10215 1 13 . 1 1 106 106 ASN H H 106 9.659 9.659 8.547 1.112 19637 10216 1 13 . 1 1 107 107 TYR N N 107 125.744 125.744 129.180 -3.436 19637 10217 1 13 . 1 1 107 107 TYR C C 107 173.073 173.073 174.469 -1.396 19637 10218 1 13 . 1 1 107 107 TYR CA C 107 54.504 54.504 55.269 -0.765 19637 10219 1 13 . 1 1 107 107 TYR CB C 107 40.854 40.854 38.766 2.088 19637 10220 1 13 . 1 1 107 107 TYR H H 107 8.273 8.273 8.202 0.071 19637 10221 1 13 . 1 1 108 108 THR N N 108 119.337 119.337 125.413 -6.076 19637 10222 1 13 . 1 1 108 108 THR C C 108 172.457 172.457 174.065 -1.608 19637 10223 1 13 . 1 1 108 108 THR CA C 108 60.452 60.452 61.572 -1.120 19637 10224 1 13 . 1 1 108 108 THR CB C 108 69.319 69.319 70.065 -0.746 19637 10225 1 13 . 1 1 108 108 THR H H 108 8.446 8.446 8.817 -0.371 19637 10226 1 13 . 1 1 109 109 THR N N 109 118.655 118.655 118.056 0.599 19637 10227 1 13 . 1 1 109 109 THR C C 109 171.625 171.625 174.036 -2.411 19637 10228 1 13 . 1 1 109 109 THR CA C 109 56.810 56.810 60.335 -3.525 19637 10229 1 13 . 1 1 109 109 THR H H 109 7.548 7.548 8.286 -0.738 19637 10230 1 13 . 1 1 112 112 ASP N N 112 116.796 116.796 115.418 1.378 19637 10231 1 13 . 1 1 112 112 ASP C C 112 175.490 175.490 174.446 1.044 19637 10232 1 13 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.917 -0.033 19637 10233 1 13 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.382 -4.720 19637 10234 1 13 . 1 1 112 112 ASP H H 112 8.995 8.995 8.297 0.698 19637 10235 1 13 . 1 1 113 113 ASN N N 113 117.801 117.801 119.637 -1.836 19637 10236 1 13 . 1 1 113 113 ASN C C 113 175.702 175.702 176.267 -0.565 19637 10237 1 13 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.733 -1.997 19637 10238 1 13 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.385 -1.037 19637 10239 1 13 . 1 1 113 113 ASN H H 113 8.410 8.410 8.309 0.101 19637 10240 1 13 . 1 1 114 114 GLY N N 114 107.744 107.744 107.729 0.015 19637 10241 1 13 . 1 1 114 114 GLY C C 114 171.979 171.979 174.125 -2.146 19637 10242 1 13 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.948 -1.154 19637 10243 1 13 . 1 1 114 114 GLY H H 114 8.557 8.557 7.691 0.866 19637 10244 1 13 . 1 1 115 115 PHE N N 115 119.554 119.554 119.409 0.145 19637 10245 1 13 . 1 1 115 115 PHE C C 115 176.192 176.192 175.028 1.164 19637 10246 1 13 . 1 1 115 115 PHE CA C 115 57.490 57.490 57.822 -0.332 19637 10247 1 13 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.381 0.700 19637 10248 1 13 . 1 1 115 115 PHE H H 115 8.607 8.607 7.245 1.362 19637 10249 1 13 . 1 1 116 116 ASN N N 116 120.356 120.356 121.601 -1.245 19637 10250 1 13 . 1 1 116 116 ASN C C 116 175.407 175.407 174.976 0.431 19637 10251 1 13 . 1 1 116 116 ASN CA C 116 50.071 50.071 53.142 -3.071 19637 10252 1 13 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.402 -3.361 19637 10253 1 13 . 1 1 116 116 ASN H H 116 8.240 8.240 8.237 0.003 19637 10254 1 13 . 1 1 117 117 ASP N N 117 117.610 117.610 120.359 -2.749 19637 10255 1 13 . 1 1 117 117 ASP C C 117 178.298 178.298 177.661 0.637 19637 10256 1 13 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.915 -0.567 19637 10257 1 13 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.957 -2.409 19637 10258 1 13 . 1 1 117 117 ASP H H 117 8.460 8.460 8.831 -0.371 19637 10259 1 13 . 1 1 118 118 HIS N N 118 118.493 118.493 118.222 0.271 19637 10260 1 13 . 1 1 118 118 HIS C C 118 177.821 177.821 177.288 0.533 19637 10261 1 13 . 1 1 118 118 HIS CA C 118 56.766 56.766 57.872 -1.106 19637 10262 1 13 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.127 -3.400 19637 10263 1 13 . 1 1 118 118 HIS H H 118 8.185 8.185 8.344 -0.159 19637 10264 1 13 . 1 1 119 119 GLY N N 119 107.937 107.937 107.095 0.842 19637 10265 1 13 . 1 1 119 119 GLY C C 119 175.082 175.082 176.267 -1.185 19637 10266 1 13 . 1 1 119 119 GLY CA C 119 46.612 46.612 47.083 -0.471 19637 10267 1 13 . 1 1 119 119 GLY H H 119 8.788 8.788 8.724 0.064 19637 10268 1 13 . 1 1 120 120 LYS N N 120 122.898 122.898 122.488 0.410 19637 10269 1 13 . 1 1 120 120 LYS C C 120 181.612 181.612 179.620 1.992 19637 10270 1 13 . 1 1 120 120 LYS CA C 120 58.717 58.717 58.970 -0.253 19637 10271 1 13 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.356 -1.700 19637 10272 1 13 . 1 1 120 120 LYS H H 120 8.890 8.890 8.555 0.335 19637 10273 1 13 . 1 1 121 121 GLU N N 121 120.995 120.995 118.988 2.007 19637 10274 1 13 . 1 1 121 121 GLU C C 121 177.327 177.327 177.096 0.231 19637 10275 1 13 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.393 -0.740 19637 10276 1 13 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.511 -1.781 19637 10277 1 13 . 1 1 121 121 GLU H H 121 8.234 8.234 7.922 0.312 19637 10278 1 13 . 1 1 122 122 ALA N N 122 119.811 119.811 120.442 -0.631 19637 10279 1 13 . 1 1 122 122 ALA C C 122 176.500 176.500 177.696 -1.196 19637 10280 1 13 . 1 1 122 122 ALA CA C 122 51.042 51.042 52.063 -1.021 19637 10281 1 13 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.823 -3.113 19637 10282 1 13 . 1 1 122 122 ALA H H 122 7.259 7.259 7.537 -0.278 19637 10283 1 13 . 1 1 123 123 GLY N N 123 103.863 103.863 105.816 -1.953 19637 10284 1 13 . 1 1 123 123 GLY C C 123 175.082 175.082 173.400 1.682 19637 10285 1 13 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.052 -0.788 19637 10286 1 13 . 1 1 123 123 GLY H H 123 7.745 7.745 7.901 -0.156 19637 10287 1 13 . 1 1 124 124 LEU N N 124 123.722 123.722 120.790 2.932 19637 10288 1 13 . 1 1 124 124 LEU C C 124 176.293 176.293 175.724 0.569 19637 10289 1 13 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.651 -1.381 19637 10290 1 13 . 1 1 124 124 LEU CB C 124 38.016 38.016 42.831 -4.815 19637 10291 1 13 . 1 1 124 124 LEU H H 124 7.461 7.461 7.948 -0.487 19637 10292 1 13 . 1 1 125 125 SER N N 125 114.112 114.112 119.169 -5.057 19637 10293 1 13 . 1 1 125 125 SER C C 125 173.250 173.250 173.761 -0.511 19637 10294 1 13 . 1 1 125 125 SER CA C 125 57.259 57.259 58.133 -0.874 19637 10295 1 13 . 1 1 125 125 SER CB C 125 65.684 65.684 63.805 1.879 19637 10296 1 13 . 1 1 125 125 SER H H 125 8.809 8.809 8.736 0.073 19637 10297 1 13 . 1 1 126 126 ASP N N 126 117.817 117.817 122.213 -4.396 19637 10298 1 13 . 1 1 126 126 ASP C C 126 174.107 174.107 176.441 -2.334 19637 10299 1 13 . 1 1 126 126 ASP CA C 126 54.593 54.593 55.951 -1.358 19637 10300 1 13 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.610 -1.884 19637 10301 1 13 . 1 1 126 126 ASP H H 126 9.035 9.035 7.823 1.212 19637 10302 1 13 . 1 1 127 127 LEU N N 127 120.160 120.160 115.833 4.327 19637 10303 1 13 . 1 1 127 127 LEU C C 127 176.726 176.726 176.361 0.365 19637 10304 1 13 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.356 -2.985 19637 10305 1 13 . 1 1 127 127 LEU CB C 127 40.322 40.322 41.139 -0.817 19637 10306 1 13 . 1 1 127 127 LEU H H 127 8.109 8.109 6.447 1.662 19637 10307 1 13 . 1 1 128 128 SER N N 128 120.909 120.909 110.069 10.840 19637 10308 1 13 . 1 1 128 128 SER C C 128 172.038 172.038 173.818 -1.780 19637 10309 1 13 . 1 1 128 128 SER CA C 128 57.120 57.120 58.021 -0.901 19637 10310 1 13 . 1 1 128 128 SER CB C 128 64.353 64.353 64.784 -0.431 19637 10311 1 13 . 1 1 128 128 SER H H 128 9.499 9.499 8.122 1.377 19637 10312 1 13 . 1 1 129 129 LEU N N 129 122.260 122.260 122.728 -0.468 19637 10313 1 13 . 1 1 129 129 LEU C C 129 176.411 176.411 177.838 -1.427 19637 10314 1 13 . 1 1 129 129 LEU CA C 129 53.839 53.839 56.270 -2.431 19637 10315 1 13 . 1 1 129 129 LEU CB C 129 42.539 42.539 42.566 -0.027 19637 10316 1 13 . 1 1 129 129 LEU H H 129 8.182 8.182 8.699 -0.517 19637 10317 1 13 . 1 1 130 130 LYS N N 130 122.490 122.490 120.116 2.374 19637 10318 1 13 . 1 1 130 130 LYS C C 130 176.754 176.754 174.993 1.761 19637 10319 1 13 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.423 -0.381 19637 10320 1 13 . 1 1 130 130 LYS CB C 130 32.518 32.518 31.992 0.526 19637 10321 1 13 . 1 1 130 130 LYS H H 130 7.536 7.536 8.241 -0.705 19637 10322 1 13 . 1 1 131 131 ASP N N 131 123.217 123.217 115.950 7.267 19637 10323 1 13 . 1 1 131 131 ASP C C 131 175.998 175.998 175.122 0.876 19637 10324 1 13 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.898 -1.438 19637 10325 1 13 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.978 -0.745 19637 10326 1 13 . 1 1 131 131 ASP H H 131 8.782 8.782 7.947 0.835 19637 10327 1 13 . 1 1 132 132 SER N N 132 115.445 115.445 114.483 0.962 19637 10328 1 13 . 1 1 132 132 SER C C 132 171.920 171.920 172.889 -0.969 19637 10329 1 13 . 1 1 132 132 SER CA C 132 55.790 55.790 57.943 -2.153 19637 10330 1 13 . 1 1 132 132 SER CB C 132 64.087 64.087 66.038 -1.951 19637 10331 1 13 . 1 1 132 132 SER H H 132 9.016 9.016 8.520 0.496 19637 10332 1 13 . 1 1 133 133 TRP N N 133 124.389 124.389 126.135 -1.746 19637 10333 1 13 . 1 1 133 133 TRP C C 133 178.243 178.243 176.026 2.217 19637 10334 1 13 . 1 1 133 133 TRP CA C 133 55.309 55.309 56.258 -0.949 19637 10335 1 13 . 1 1 133 133 TRP CB C 133 31.401 31.401 32.398 -0.997 19637 10336 1 13 . 1 1 133 133 TRP H H 133 7.896 7.896 8.697 -0.801 19637 10337 1 13 . 1 1 134 134 GLY N N 134 107.658 107.658 111.040 -3.382 19637 10338 1 13 . 1 1 134 134 GLY C C 134 171.123 171.123 172.486 -1.363 19637 10339 1 13 . 1 1 134 134 GLY CA C 134 44.750 44.750 45.504 -0.754 19637 10340 1 13 . 1 1 134 134 GLY H H 134 8.896 8.896 8.671 0.225 19637 10341 1 13 . 1 1 135 135 ALA N N 135 122.244 122.244 126.938 -4.694 19637 10342 1 13 . 1 1 135 135 ALA C C 135 174.875 174.875 175.697 -0.822 19637 10343 1 13 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.634 0.507 19637 10344 1 13 . 1 1 135 135 ALA CB C 135 19.306 19.306 21.574 -2.268 19637 10345 1 13 . 1 1 135 135 ALA H H 135 8.946 8.946 8.452 0.494 19637 10346 1 13 . 1 1 136 136 ALA N N 136 118.579 118.579 120.760 -2.181 19637 10347 1 13 . 1 1 136 136 ALA C C 136 175.434 175.434 175.572 -0.138 19637 10348 1 13 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.841 -2.347 19637 10349 1 13 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.642 1.565 19637 10350 1 13 . 1 1 136 136 ALA H H 136 8.111 8.111 8.393 -0.282 19637 10351 1 13 . 1 1 137 137 GLY N N 137 105.005 105.005 108.576 -3.571 19637 10352 1 13 . 1 1 137 137 GLY C C 137 171.300 171.300 174.111 -2.811 19637 10353 1 13 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.692 -1.510 19637 10354 1 13 . 1 1 137 137 GLY H H 137 8.933 8.933 8.595 0.338 19637 10355 1 13 . 1 1 138 138 GLN N N 138 115.695 115.695 125.544 -9.849 19637 10356 1 13 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.688 -1.425 19637 10357 1 13 . 1 1 138 138 GLN H H 138 8.559 8.559 8.046 0.513 19637 10358 1 13 . 1 1 140 140 GLY N N 140 110.307 110.307 116.358 -6.051 19637 10359 1 13 . 1 1 140 140 GLY C C 140 171.329 171.329 171.152 0.177 19637 10360 1 13 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.775 -0.158 19637 10361 1 13 . 1 1 140 140 GLY H H 140 7.936 7.936 8.696 -0.760 19637 10362 1 13 . 1 1 141 141 VAL N N 141 112.233 112.233 118.187 -5.954 19637 10363 1 13 . 1 1 141 141 VAL C C 141 171.979 171.979 173.494 -1.515 19637 10364 1 13 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.423 -0.509 19637 10365 1 13 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.862 -1.925 19637 10366 1 13 . 1 1 141 141 VAL H H 141 8.646 8.646 8.118 0.528 19637 10367 1 13 . 1 1 142 142 ASP N N 142 122.520 122.520 122.643 -0.123 19637 10368 1 13 . 1 1 142 142 ASP C C 142 175.259 175.259 173.570 1.689 19637 10369 1 13 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.853 -1.142 19637 10370 1 13 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.059 -0.279 19637 10371 1 13 . 1 1 142 142 ASP H H 142 7.402 7.402 8.348 -0.946 19637 10372 1 13 . 1 1 143 143 TYR N N 143 122.331 122.331 116.725 5.606 19637 10373 1 13 . 1 1 143 143 TYR C C 143 173.870 173.870 174.732 -0.862 19637 10374 1 13 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.220 -1.272 19637 10375 1 13 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.569 -0.804 19637 10376 1 13 . 1 1 143 143 TYR H H 143 9.396 9.396 7.911 1.485 19637 10377 1 13 . 1 1 144 144 LEU N N 144 130.341 130.341 120.948 9.393 19637 10378 1 13 . 1 1 144 144 LEU C C 144 174.786 174.786 176.992 -2.206 19637 10379 1 13 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.206 1.318 19637 10380 1 13 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.720 -2.043 19637 10381 1 13 . 1 1 144 144 LEU H H 144 8.313 8.313 8.435 -0.122 19637 10382 1 13 . 1 1 145 145 ILE N N 145 124.602 124.602 122.879 1.723 19637 10383 1 13 . 1 1 145 145 ILE C C 145 177.593 177.593 176.864 0.729 19637 10384 1 13 . 1 1 145 145 ILE CA C 145 60.097 60.097 64.057 -3.960 19637 10385 1 13 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.091 -1.227 19637 10386 1 13 . 1 1 145 145 ILE H H 145 8.809 8.809 8.920 -0.111 19637 10387 1 13 . 1 1 146 146 ASN N N 146 118.348 118.348 115.705 2.643 19637 10388 1 13 . 1 1 146 146 ASN CA C 146 51.318 51.318 53.225 -1.907 19637 10389 1 13 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.609 -2.657 19637 10390 1 13 . 1 1 146 146 ASN H H 146 8.362 8.362 8.442 -0.080 19637 10391 1 13 . 1 1 147 147 ARG N N 147 113.940 113.940 119.612 -5.672 19637 10392 1 13 . 1 1 147 147 ARG C C 147 176.470 176.470 175.708 0.762 19637 10393 1 13 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.094 0.490 19637 10394 1 13 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.388 -1.683 19637 10395 1 13 . 1 1 147 147 ARG H H 147 8.072 8.072 8.593 -0.521 19637 10396 1 13 . 1 1 148 148 ASP N N 148 112.938 112.938 115.962 -3.024 19637 10397 1 13 . 1 1 148 148 ASP C C 148 174.373 174.373 174.566 -0.193 19637 10398 1 13 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.391 0.936 19637 10399 1 13 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.076 1.552 19637 10400 1 13 . 1 1 148 148 ASP H H 148 7.668 7.668 7.865 -0.197 19637 10401 1 13 . 1 1 149 149 TRP N N 149 116.148 116.148 116.293 -0.145 19637 10402 1 13 . 1 1 149 149 TRP C C 149 175.574 175.574 173.889 1.685 19637 10403 1 13 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.227 0.259 19637 10404 1 13 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.288 1.432 19637 10405 1 13 . 1 1 149 149 TRP H H 149 7.788 7.788 7.158 0.630 19637 10406 1 13 . 1 1 150 150 LEU N N 150 118.106 118.106 116.249 1.857 19637 10407 1 13 . 1 1 150 150 LEU C C 150 175.141 175.141 173.883 1.258 19637 10408 1 13 . 1 1 150 150 LEU CA C 150 52.155 52.155 54.215 -2.060 19637 10409 1 13 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.444 -1.043 19637 10410 1 13 . 1 1 150 150 LEU H H 150 9.306 9.306 9.232 0.074 19637 10411 1 13 . 1 1 151 151 VAL N N 151 115.211 115.211 119.212 -4.001 19637 10412 1 13 . 1 1 151 151 VAL C C 151 173.524 173.524 173.306 0.218 19637 10413 1 13 . 1 1 151 151 VAL CA C 151 59.299 59.299 59.915 -0.616 19637 10414 1 13 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.480 -1.631 19637 10415 1 13 . 1 1 151 151 VAL H H 151 9.293 9.293 8.309 0.984 19637 10416 1 13 . 1 1 152 152 ASN N N 152 124.526 124.526 125.092 -0.566 19637 10417 1 13 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.661 0.094 19637 10418 1 13 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.054 0.574 19637 10419 1 13 . 1 1 152 152 ASN H H 152 8.893 8.893 8.966 -0.073 19637 10420 1 13 . 1 1 153 153 MET N N 153 118.533 118.533 123.250 -4.717 19637 10421 1 13 . 1 1 153 153 MET C C 153 173.987 173.987 173.824 0.163 19637 10422 1 13 . 1 1 153 153 MET CA C 153 54.017 54.017 55.416 -1.399 19637 10423 1 13 . 1 1 153 153 MET CB C 153 36.243 36.243 35.603 0.640 19637 10424 1 13 . 1 1 153 153 MET H H 153 8.003 8.003 8.734 -0.731 19637 10425 1 13 . 1 1 154 154 SER N N 154 113.225 113.225 117.937 -4.712 19637 10426 1 13 . 1 1 154 154 SER C C 154 172.120 172.120 172.314 -0.194 19637 10427 1 13 . 1 1 154 154 SER CA C 154 56.550 56.550 56.411 0.139 19637 10428 1 13 . 1 1 154 154 SER CB C 154 64.619 64.619 66.108 -1.489 19637 10429 1 13 . 1 1 154 154 SER H H 154 9.191 9.191 8.937 0.254 19637 10430 1 13 . 1 1 155 155 VAL N N 155 119.543 119.543 119.538 0.005 19637 10431 1 13 . 1 1 155 155 VAL C C 155 173.973 173.973 173.741 0.232 19637 10432 1 13 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.384 -2.002 19637 10433 1 13 . 1 1 155 155 VAL H H 155 9.190 9.190 8.163 1.027 19637 10434 1 13 . 1 1 156 156 TRP N N 156 124.596 124.596 126.537 -1.941 19637 10435 1 13 . 1 1 156 156 TRP C C 156 175.237 175.237 175.373 -0.136 19637 10436 1 13 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.165 -3.902 19637 10437 1 13 . 1 1 156 156 TRP CB C 156 33.228 33.228 31.840 1.388 19637 10438 1 13 . 1 1 156 156 TRP H H 156 9.883 9.883 8.605 1.278 19637 10439 1 13 . 1 1 160 160 ILE N N 160 123.211 123.211 120.376 2.835 19637 10440 1 13 . 1 1 160 160 ILE C C 160 173.545 173.545 173.933 -0.388 19637 10441 1 13 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.008 0.261 19637 10442 1 13 . 1 1 160 160 ILE H H 160 7.948 7.948 8.333 -0.385 19637 10443 1 13 . 1 1 161 161 ASP N N 161 128.357 128.357 126.512 1.845 19637 10444 1 13 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.262 -0.841 19637 10445 1 13 . 1 1 161 161 ASP CB C 161 41.830 41.830 42.674 -0.844 19637 10446 1 13 . 1 1 161 161 ASP H H 161 8.302 8.302 8.438 -0.136 19637 10447 1 13 . 1 1 162 162 THR N N 162 117.472 117.472 119.862 -2.390 19637 10448 1 13 . 1 1 162 162 THR CA C 162 57.259 57.259 60.521 -3.262 19637 10449 1 13 . 1 1 162 162 THR CB C 162 68.167 68.167 71.460 -3.293 19637 10450 1 13 . 1 1 162 162 THR H H 162 8.788 8.788 8.558 0.230 19637 10451 1 13 . 1 1 163 163 THR N N 163 120.189 120.189 117.867 2.322 19637 10452 1 13 . 1 1 163 163 THR CA C 163 60.629 60.629 60.449 0.180 19637 10453 1 13 . 1 1 163 163 THR CB C 163 68.278 68.278 69.734 -1.456 19637 10454 1 13 . 1 1 163 163 THR H H 163 8.429 8.429 8.397 0.032 19637 10455 1 13 . 1 1 164 164 ALA N N 164 127.991 127.991 121.798 6.193 19637 10456 1 13 . 1 1 164 164 ALA C C 164 174.993 174.993 175.996 -1.003 19637 10457 1 13 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.738 -1.548 19637 10458 1 13 . 1 1 164 164 ALA CB C 164 18.951 18.951 20.606 -1.655 19637 10459 1 13 . 1 1 164 164 ALA H H 164 9.428 9.428 8.673 0.755 19637 10460 1 13 . 1 1 165 165 ASN N N 165 122.214 122.214 125.926 -3.712 19637 10461 1 13 . 1 1 165 165 ASN C C 165 173.047 173.047 173.685 -0.638 19637 10462 1 13 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.355 -1.214 19637 10463 1 13 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.246 -0.190 19637 10464 1 13 . 1 1 165 165 ASN H H 165 9.216 9.216 8.383 0.833 19637 10465 1 13 . 1 1 166 166 TYR N N 166 116.330 116.330 121.939 -5.609 19637 10466 1 13 . 1 1 166 166 TYR C C 166 172.260 172.260 173.200 -0.940 19637 10467 1 13 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.408 -0.012 19637 10468 1 13 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.814 -3.152 19637 10469 1 13 . 1 1 166 166 TYR H H 166 7.816 7.816 7.659 0.157 19637 10470 1 13 . 1 1 167 167 LYS N N 167 117.734 117.734 119.317 -1.583 19637 10471 1 13 . 1 1 167 167 LYS C C 167 174.760 174.760 173.857 0.903 19637 10472 1 13 . 1 1 167 167 LYS CA C 167 53.751 53.751 56.360 -2.609 19637 10473 1 13 . 1 1 167 167 LYS CB C 167 34.381 34.381 36.166 -1.785 19637 10474 1 13 . 1 1 167 167 LYS H H 167 9.100 9.100 8.373 0.727 19637 10475 1 13 . 1 1 168 168 LEU N N 168 121.623 121.623 126.867 -5.244 19637 10476 1 13 . 1 1 168 168 LEU C C 168 177.877 177.877 177.015 0.862 19637 10477 1 13 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.581 -2.072 19637 10478 1 13 . 1 1 168 168 LEU CB C 168 42.894 42.894 43.214 -0.320 19637 10479 1 13 . 1 1 168 168 LEU H H 168 8.372 8.372 8.847 -0.475 19637 10480 1 13 . 1 1 169 169 GLY N N 169 119.264 119.264 113.719 5.545 19637 10481 1 13 . 1 1 169 169 GLY C C 169 175.602 175.602 174.772 0.830 19637 10482 1 13 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.741 1.516 19637 10483 1 13 . 1 1 169 169 GLY H H 169 9.603 9.603 8.856 0.747 19637 10484 1 13 . 1 1 170 170 GLY N N 170 104.659 104.659 107.018 -2.359 19637 10485 1 13 . 1 1 170 170 GLY C C 170 172.570 172.570 173.866 -1.296 19637 10486 1 13 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.742 -0.702 19637 10487 1 13 . 1 1 170 170 GLY H H 170 8.381 8.381 8.250 0.131 19637 10488 1 13 . 1 1 171 171 ALA N N 171 123.570 123.570 121.520 2.050 19637 10489 1 13 . 1 1 171 171 ALA C C 171 177.569 177.569 175.947 1.622 19637 10490 1 13 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.055 -1.162 19637 10491 1 13 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.937 -1.607 19637 10492 1 13 . 1 1 171 171 ALA H H 171 7.650 7.650 7.801 -0.151 19637 10493 1 13 . 1 1 172 172 GLN N N 172 124.057 124.057 124.607 -0.550 19637 10494 1 13 . 1 1 172 172 GLN C C 172 174.869 174.869 175.775 -0.906 19637 10495 1 13 . 1 1 172 172 GLN CA C 172 56.018 56.018 56.588 -0.570 19637 10496 1 13 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.130 0.043 19637 10497 1 13 . 1 1 172 172 GLN H H 172 8.840 8.840 8.718 0.122 19637 10498 1 13 . 1 1 173 173 GLN N N 173 124.328 124.328 124.420 -0.092 19637 10499 1 13 . 1 1 173 173 GLN C C 173 174.953 174.953 174.520 0.433 19637 10500 1 13 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.593 -2.438 19637 10501 1 13 . 1 1 173 173 GLN CB C 173 29.415 29.415 31.473 -2.058 19637 10502 1 13 . 1 1 173 173 GLN H H 173 9.023 9.023 7.651 1.372 19637 10503 1 13 . 1 1 174 174 HIS N N 174 115.629 115.629 112.965 2.664 19637 10504 1 13 . 1 1 174 174 HIS C C 174 173.103 173.103 173.724 -0.621 19637 10505 1 13 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.349 -1.903 19637 10506 1 13 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.018 -1.337 19637 10507 1 13 . 1 1 174 174 HIS H H 174 8.227 8.227 8.189 0.038 19637 10508 1 13 . 1 1 175 175 ASP N N 175 120.615 120.615 123.635 -3.020 19637 10509 1 13 . 1 1 175 175 ASP C C 175 175.013 175.013 175.484 -0.471 19637 10510 1 13 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.337 -0.605 19637 10511 1 13 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.331 0.780 19637 10512 1 13 . 1 1 175 175 ASP H H 175 8.964 8.964 8.741 0.223 19637 10513 1 13 . 1 1 176 176 SER N N 176 118.175 118.175 116.052 2.123 19637 10514 1 13 . 1 1 176 176 SER C C 176 173.496 173.496 173.352 0.144 19637 10515 1 13 . 1 1 176 176 SER CA C 176 57.697 57.697 57.582 0.115 19637 10516 1 13 . 1 1 176 176 SER CB C 176 62.757 62.757 63.881 -1.124 19637 10517 1 13 . 1 1 176 176 SER H H 176 9.137 9.137 8.481 0.656 19637 10518 1 13 . 1 1 177 177 VAL N N 177 123.737 123.737 126.015 -2.278 19637 10519 1 13 . 1 1 177 177 VAL C C 177 173.398 173.398 174.758 -1.360 19637 10520 1 13 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.814 -1.537 19637 10521 1 13 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.030 0.488 19637 10522 1 13 . 1 1 177 177 VAL H H 177 8.492 8.492 8.737 -0.245 19637 10523 1 13 . 1 1 178 178 ARG N N 178 127.628 127.628 128.070 -0.442 19637 10524 1 13 . 1 1 178 178 ARG C C 178 175.097 175.097 174.379 0.718 19637 10525 1 13 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.160 -1.143 19637 10526 1 13 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.924 -3.775 19637 10527 1 13 . 1 1 178 178 ARG H H 178 8.513 8.513 8.660 -0.147 19637 10528 1 13 . 1 1 182 182 TRP N N 182 115.616 115.616 117.494 -1.878 19637 10529 1 13 . 1 1 182 182 TRP C C 182 176.613 176.613 175.240 1.373 19637 10530 1 13 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.007 -1.779 19637 10531 1 13 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.485 0.324 19637 10532 1 13 . 1 1 182 182 TRP H H 182 7.491 7.491 8.574 -1.083 19637 10533 1 13 . 1 1 183 183 VAL N N 183 121.618 121.618 119.859 1.759 19637 10534 1 13 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.816 -3.188 19637 10535 1 13 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.959 -3.263 19637 10536 1 13 . 1 1 183 183 VAL H H 183 9.372 9.372 9.017 0.355 19637 10537 1 13 . 1 1 185 185 MET N N 185 129.032 129.032 127.074 1.958 19637 10538 1 13 . 1 1 185 185 MET C C 185 172.186 172.186 174.410 -2.224 19637 10539 1 13 . 1 1 185 185 MET CA C 185 53.091 53.091 53.530 -0.439 19637 10540 1 13 . 1 1 185 185 MET CB C 185 33.405 33.405 32.382 1.023 19637 10541 1 13 . 1 1 185 185 MET H H 185 9.615 9.615 8.204 1.411 19637 10542 1 13 . 1 1 186 186 PHE N N 186 124.085 124.085 120.731 3.354 19637 10543 1 13 . 1 1 186 186 PHE C C 186 174.816 174.816 173.259 1.557 19637 10544 1 13 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.612 -1.481 19637 10545 1 13 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.669 -2.080 19637 10546 1 13 . 1 1 186 186 PHE H H 186 7.976 7.976 8.178 -0.202 19637 10547 1 13 . 1 1 187 187 SER N N 187 116.369 116.369 115.161 1.208 19637 10548 1 13 . 1 1 187 187 SER C C 187 171.305 171.305 171.988 -0.683 19637 10549 1 13 . 1 1 187 187 SER CA C 187 57.348 57.348 57.827 -0.479 19637 10550 1 13 . 1 1 187 187 SER CB C 187 66.127 66.127 65.788 0.339 19637 10551 1 13 . 1 1 187 187 SER H H 187 9.355 9.355 9.073 0.282 19637 10552 1 13 . 1 1 188 188 ALA N N 188 119.248 119.248 120.260 -1.012 19637 10553 1 13 . 1 1 188 188 ALA C C 188 175.996 175.996 175.643 0.353 19637 10554 1 13 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.258 -2.173 19637 10555 1 13 . 1 1 188 188 ALA CB C 188 21.079 21.079 22.242 -1.163 19637 10556 1 13 . 1 1 188 188 ALA H H 188 8.300 8.300 8.199 0.101 19637 10557 1 13 . 1 1 189 189 GLY N N 189 104.914 104.914 107.965 -3.051 19637 10558 1 13 . 1 1 189 189 GLY C C 189 170.650 170.650 171.578 -0.928 19637 10559 1 13 . 1 1 189 189 GLY CA C 189 44.046 44.046 46.376 -2.330 19637 10560 1 13 . 1 1 189 189 GLY H H 189 9.235 9.235 8.901 0.334 19637 10561 1 13 . 1 1 190 190 TYR N N 190 121.149 121.149 121.629 -0.480 19637 10562 1 13 . 1 1 190 190 TYR C C 190 173.608 173.608 173.893 -0.285 19637 10563 1 13 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.150 -1.019 19637 10564 1 13 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.544 -0.181 19637 10565 1 13 . 1 1 190 190 TYR H H 190 8.865 8.865 8.657 0.208 19637 10566 1 13 . 1 1 191 191 ARG N N 191 125.697 125.697 126.217 -0.520 19637 10567 1 13 . 1 1 191 191 ARG CA C 191 53.529 53.529 55.177 -1.648 19637 10568 1 13 . 1 1 191 191 ARG CB C 191 29.947 29.947 28.833 1.114 19637 10569 1 13 . 1 1 191 191 ARG H H 191 7.469 7.469 7.915 -0.446 19637 10570 1 14 . 1 1 2 2 HIS N N 2 119.214 119.214 113.833 5.381 19637 10571 1 14 . 1 1 2 2 HIS C C 2 171.081 171.081 173.333 -2.252 19637 10572 1 14 . 1 1 2 2 HIS CA C 2 52.288 52.288 57.315 -5.027 19637 10573 1 14 . 1 1 2 2 HIS CB C 2 23.296 23.296 28.509 -5.213 19637 10574 1 14 . 1 1 2 2 HIS H H 2 8.422 8.422 8.516 -0.094 19637 10575 1 14 . 1 1 3 3 GLU N N 3 113.500 113.500 116.992 -3.492 19637 10576 1 14 . 1 1 3 3 GLU C C 3 174.619 174.619 174.453 0.166 19637 10577 1 14 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.260 -2.598 19637 10578 1 14 . 1 1 3 3 GLU CB C 3 29.415 29.415 32.365 -2.950 19637 10579 1 14 . 1 1 3 3 GLU H H 3 6.642 6.642 7.808 -1.166 19637 10580 1 14 . 1 1 4 4 ALA N N 4 120.680 120.680 124.539 -3.859 19637 10581 1 14 . 1 1 4 4 ALA C C 4 178.439 178.439 177.006 1.433 19637 10582 1 14 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.767 -0.391 19637 10583 1 14 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.315 0.128 19637 10584 1 14 . 1 1 4 4 ALA H H 4 8.701 8.701 8.587 0.114 19637 10585 1 14 . 1 1 5 5 GLY N N 5 112.786 112.786 107.490 5.296 19637 10586 1 14 . 1 1 5 5 GLY C C 5 173.309 173.309 173.629 -0.320 19637 10587 1 14 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.842 -1.289 19637 10588 1 14 . 1 1 5 5 GLY H H 5 9.294 9.294 7.905 1.389 19637 10589 1 14 . 1 1 6 6 GLU N N 6 121.755 121.755 118.251 3.504 19637 10590 1 14 . 1 1 6 6 GLU C C 6 173.693 173.693 173.845 -0.152 19637 10591 1 14 . 1 1 6 6 GLU CA C 6 56.018 56.018 54.058 1.960 19637 10592 1 14 . 1 1 6 6 GLU CB C 6 31.188 31.188 33.463 -2.275 19637 10593 1 14 . 1 1 6 6 GLU H H 6 7.955 7.955 7.323 0.632 19637 10594 1 14 . 1 1 7 7 PHE N N 7 124.802 124.802 119.406 5.396 19637 10595 1 14 . 1 1 7 7 PHE C C 7 174.039 174.039 175.199 -1.160 19637 10596 1 14 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.219 -1.886 19637 10597 1 14 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.507 0.234 19637 10598 1 14 . 1 1 7 7 PHE H H 7 8.648 8.648 8.301 0.347 19637 10599 1 14 . 1 1 8 8 PHE N N 8 121.132 121.132 121.701 -0.569 19637 10600 1 14 . 1 1 8 8 PHE C C 8 171.861 171.861 174.533 -2.672 19637 10601 1 14 . 1 1 8 8 PHE CA C 8 54.549 54.549 55.619 -1.070 19637 10602 1 14 . 1 1 8 8 PHE CB C 8 40.677 40.677 41.892 -1.215 19637 10603 1 14 . 1 1 8 8 PHE H H 8 8.574 8.574 8.822 -0.248 19637 10604 1 14 . 1 1 9 9 MET N N 9 120.391 120.391 124.809 -4.418 19637 10605 1 14 . 1 1 9 9 MET C C 9 174.166 174.166 174.360 -0.194 19637 10606 1 14 . 1 1 9 9 MET CA C 9 52.199 52.199 55.308 -3.109 19637 10607 1 14 . 1 1 9 9 MET CB C 9 37.307 37.307 35.145 2.162 19637 10608 1 14 . 1 1 9 9 MET H H 9 8.541 8.541 9.048 -0.507 19637 10609 1 14 . 1 1 10 10 ARG N N 10 117.892 117.892 123.630 -5.738 19637 10610 1 14 . 1 1 10 10 ARG C C 10 175.289 175.289 173.775 1.514 19637 10611 1 14 . 1 1 10 10 ARG CA C 10 53.446 53.446 53.972 -0.526 19637 10612 1 14 . 1 1 10 10 ARG CB C 10 31.366 31.366 32.852 -1.486 19637 10613 1 14 . 1 1 10 10 ARG H H 10 8.357 8.357 8.936 -0.579 19637 10614 1 14 . 1 1 11 11 ALA N N 11 119.664 119.664 127.053 -7.389 19637 10615 1 14 . 1 1 11 11 ALA C C 11 176.057 176.057 175.322 0.735 19637 10616 1 14 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.820 -1.188 19637 10617 1 14 . 1 1 11 11 ALA CB C 11 21.518 21.518 21.464 0.054 19637 10618 1 14 . 1 1 11 11 ALA H H 11 9.154 9.154 8.028 1.126 19637 10619 1 14 . 1 1 12 12 GLY N N 12 106.262 106.262 107.788 -1.526 19637 10620 1 14 . 1 1 12 12 GLY C C 12 172.068 172.068 171.723 0.345 19637 10621 1 14 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.742 -0.593 19637 10622 1 14 . 1 1 12 12 GLY H H 12 8.655 8.655 8.729 -0.074 19637 10623 1 14 . 1 1 13 13 SER N N 13 116.893 116.893 114.939 1.954 19637 10624 1 14 . 1 1 13 13 SER C C 13 173.604 173.604 173.334 0.270 19637 10625 1 14 . 1 1 13 13 SER CA C 13 56.367 56.367 56.431 -0.064 19637 10626 1 14 . 1 1 13 13 SER CB C 13 64.087 64.087 64.764 -0.678 19637 10627 1 14 . 1 1 13 13 SER H H 13 8.644 8.644 7.572 1.073 19637 10628 1 14 . 1 1 14 14 ALA N N 14 125.234 125.234 126.606 -1.372 19637 10629 1 14 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.866 -2.239 19637 10630 1 14 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.875 -1.545 19637 10631 1 14 . 1 1 14 14 ALA H H 14 9.120 9.120 8.111 1.009 19637 10632 1 14 . 1 1 15 15 THR N N 15 121.303 121.303 120.709 0.594 19637 10633 1 14 . 1 1 15 15 THR C C 15 175.230 175.230 173.463 1.767 19637 10634 1 14 . 1 1 15 15 THR CA C 15 60.895 60.895 61.903 -1.008 19637 10635 1 14 . 1 1 15 15 THR CB C 15 70.029 70.029 68.481 1.548 19637 10636 1 14 . 1 1 15 15 THR H H 15 9.351 9.351 8.653 0.698 19637 10637 1 14 . 1 1 16 16 VAL N N 16 126.781 126.781 123.001 3.780 19637 10638 1 14 . 1 1 16 16 VAL C C 16 174.432 174.432 174.935 -0.503 19637 10639 1 14 . 1 1 16 16 VAL CA C 16 60.806 60.806 60.860 -0.054 19637 10640 1 14 . 1 1 16 16 VAL CB C 16 30.922 30.922 33.357 -2.435 19637 10641 1 14 . 1 1 16 16 VAL H H 16 9.110 9.110 8.274 0.836 19637 10642 1 14 . 1 1 17 17 ARG N N 17 129.806 129.806 126.441 3.365 19637 10643 1 14 . 1 1 17 17 ARG C C 17 173.440 173.440 174.841 -1.401 19637 10644 1 14 . 1 1 17 17 ARG CA C 17 51.407 51.407 53.834 -2.427 19637 10645 1 14 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.567 -0.265 19637 10646 1 14 . 1 1 17 17 ARG H H 17 9.325 9.325 8.556 0.769 19637 10647 1 14 . 1 1 19 19 THR N N 19 114.402 114.402 114.101 0.301 19637 10648 1 14 . 1 1 19 19 THR CA C 19 61.022 61.022 62.973 -1.951 19637 10649 1 14 . 1 1 19 19 THR CB C 19 69.142 69.142 69.147 -0.005 19637 10650 1 14 . 1 1 19 19 THR H H 19 8.021 8.021 8.120 -0.099 19637 10651 1 14 . 1 1 20 20 GLU N N 20 123.598 123.598 122.312 1.286 19637 10652 1 14 . 1 1 20 20 GLU C C 20 177.007 177.007 176.138 0.869 19637 10653 1 14 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.319 -0.840 19637 10654 1 14 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.732 -2.938 19637 10655 1 14 . 1 1 20 20 GLU H H 20 8.601 8.601 8.029 0.572 19637 10656 1 14 . 1 1 21 21 GLY N N 21 110.237 110.237 110.374 -0.137 19637 10657 1 14 . 1 1 21 21 GLY C C 21 174.077 174.077 174.508 -0.431 19637 10658 1 14 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.235 -0.574 19637 10659 1 14 . 1 1 21 21 GLY H H 21 8.530 8.530 8.598 -0.068 19637 10660 1 14 . 1 1 22 22 ALA N N 22 123.476 123.476 122.320 1.156 19637 10661 1 14 . 1 1 22 22 ALA C C 22 178.158 178.158 177.718 0.440 19637 10662 1 14 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.635 0.120 19637 10663 1 14 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.094 -1.316 19637 10664 1 14 . 1 1 22 22 ALA H H 22 8.279 8.279 7.680 0.599 19637 10665 1 14 . 1 1 23 23 GLY N N 23 107.265 107.265 107.218 0.047 19637 10666 1 14 . 1 1 23 23 GLY C C 23 174.727 174.727 174.591 0.136 19637 10667 1 14 . 1 1 23 23 GLY CA C 23 44.440 44.440 44.958 -0.518 19637 10668 1 14 . 1 1 23 23 GLY H H 23 8.452 8.452 8.301 0.151 19637 10669 1 14 . 1 1 24 24 GLY N N 24 108.306 108.306 109.699 -1.393 19637 10670 1 14 . 1 1 24 24 GLY C C 24 174.786 174.786 174.879 -0.093 19637 10671 1 14 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.276 -0.836 19637 10672 1 14 . 1 1 24 24 GLY H H 24 8.221 8.221 8.238 -0.017 19637 10673 1 14 . 1 1 25 25 THR N N 25 114.381 114.381 114.575 -0.194 19637 10674 1 14 . 1 1 25 25 THR C C 25 175.170 175.170 173.995 1.175 19637 10675 1 14 . 1 1 25 25 THR CA C 25 61.599 61.599 61.720 -0.121 19637 10676 1 14 . 1 1 25 25 THR CB C 25 68.521 68.521 69.014 -0.493 19637 10677 1 14 . 1 1 25 25 THR H H 25 8.213 8.213 7.900 0.313 19637 10678 1 14 . 1 1 26 26 LEU N N 26 123.038 123.038 121.572 1.466 19637 10679 1 14 . 1 1 26 26 LEU C C 26 177.918 177.918 176.170 1.748 19637 10680 1 14 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.589 0.093 19637 10681 1 14 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.514 -2.369 19637 10682 1 14 . 1 1 26 26 LEU H H 26 8.425 8.425 7.534 0.891 19637 10683 1 14 . 1 1 27 27 GLY N N 27 108.786 108.786 109.287 -0.501 19637 10684 1 14 . 1 1 27 27 GLY C C 27 175.023 175.023 175.921 -0.898 19637 10685 1 14 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.455 -0.616 19637 10686 1 14 . 1 1 27 27 GLY H H 27 8.260 8.260 8.375 -0.115 19637 10687 1 14 . 1 1 28 28 SER N N 28 116.175 116.175 117.194 -1.019 19637 10688 1 14 . 1 1 28 28 SER CA C 28 58.140 58.140 57.410 0.730 19637 10689 1 14 . 1 1 28 28 SER CB C 28 62.846 62.846 62.244 0.602 19637 10690 1 14 . 1 1 28 28 SER H H 28 8.330 8.330 8.404 -0.074 19637 10691 1 14 . 1 1 29 29 LEU N N 29 122.260 122.260 120.386 1.874 19637 10692 1 14 . 1 1 29 29 LEU C C 29 177.512 177.512 177.772 -0.260 19637 10693 1 14 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.326 -0.910 19637 10694 1 14 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.155 -2.833 19637 10695 1 14 . 1 1 29 29 LEU H H 29 8.157 8.157 7.464 0.693 19637 10696 1 14 . 1 1 30 30 GLY N N 30 107.575 107.575 106.938 0.637 19637 10697 1 14 . 1 1 30 30 GLY C C 30 174.225 174.225 175.072 -0.847 19637 10698 1 14 . 1 1 30 30 GLY CA C 30 44.528 44.528 45.029 -0.501 19637 10699 1 14 . 1 1 30 30 GLY H H 30 8.144 8.144 8.452 -0.308 19637 10700 1 14 . 1 1 31 31 GLY N N 31 107.996 107.996 110.428 -2.432 19637 10701 1 14 . 1 1 31 31 GLY C C 31 173.664 173.664 173.760 -0.096 19637 10702 1 14 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.650 -0.432 19637 10703 1 14 . 1 1 31 31 GLY H H 31 8.044 8.044 8.047 -0.003 19637 10704 1 14 . 1 1 32 32 PHE N N 32 119.248 119.248 122.557 -3.309 19637 10705 1 14 . 1 1 32 32 PHE C C 32 175.495 175.495 174.459 1.036 19637 10706 1 14 . 1 1 32 32 PHE CA C 32 56.373 56.373 55.812 0.561 19637 10707 1 14 . 1 1 32 32 PHE CB C 32 39.258 39.258 40.878 -1.620 19637 10708 1 14 . 1 1 32 32 PHE H H 32 8.181 8.181 7.633 0.548 19637 10709 1 14 . 1 1 33 33 SER N N 33 117.720 117.720 119.296 -1.576 19637 10710 1 14 . 1 1 33 33 SER C C 33 173.368 173.368 172.231 1.137 19637 10711 1 14 . 1 1 33 33 SER CA C 33 55.746 55.746 59.050 -3.304 19637 10712 1 14 . 1 1 33 33 SER CB C 33 64.265 64.265 64.834 -0.569 19637 10713 1 14 . 1 1 33 33 SER H H 33 8.771 8.771 8.842 -0.071 19637 10714 1 14 . 1 1 34 34 VAL N N 34 123.007 123.007 124.182 -1.175 19637 10715 1 14 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.287 -1.861 19637 10716 1 14 . 1 1 34 34 VAL CB C 34 32.785 32.785 34.949 -2.164 19637 10717 1 14 . 1 1 34 34 VAL H H 34 8.525 8.525 8.088 0.437 19637 10718 1 14 . 1 1 35 35 THR N N 35 115.459 115.459 117.859 -2.400 19637 10719 1 14 . 1 1 35 35 THR CA C 35 61.200 61.200 61.767 -0.567 19637 10720 1 14 . 1 1 35 35 THR CB C 35 69.851 69.851 68.653 1.198 19637 10721 1 14 . 1 1 35 35 THR H H 35 8.147 8.147 8.468 -0.321 19637 10722 1 14 . 1 1 36 36 ASN N N 36 118.274 118.274 121.614 -3.340 19637 10723 1 14 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.519 -2.112 19637 10724 1 14 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.145 -1.040 19637 10725 1 14 . 1 1 36 36 ASN H H 36 8.719 8.719 8.543 0.176 19637 10726 1 14 . 1 1 37 37 ASN N N 37 115.657 115.657 119.358 -3.701 19637 10727 1 14 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.941 1.924 19637 10728 1 14 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.732 3.580 19637 10729 1 14 . 1 1 37 37 ASN H H 37 8.432 8.432 8.431 0.001 19637 10730 1 14 . 1 1 38 38 THR N N 38 122.444 122.444 116.942 5.502 19637 10731 1 14 . 1 1 38 38 THR CA C 38 61.288 61.288 62.897 -1.609 19637 10732 1 14 . 1 1 38 38 THR CB C 38 69.142 69.142 69.001 0.141 19637 10733 1 14 . 1 1 38 38 THR H H 38 8.095 8.095 8.404 -0.309 19637 10734 1 14 . 1 1 40 40 LEU N N 40 120.457 120.457 120.038 0.419 19637 10735 1 14 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.107 0.220 19637 10736 1 14 . 1 1 40 40 LEU CB C 40 41.218 41.218 45.343 -4.125 19637 10737 1 14 . 1 1 40 40 LEU H H 40 6.902 6.902 8.416 -1.514 19637 10738 1 14 . 1 1 41 41 GLY N N 41 111.223 111.223 110.162 1.061 19637 10739 1 14 . 1 1 41 41 GLY C C 41 171.034 171.034 171.621 -0.587 19637 10740 1 14 . 1 1 41 41 GLY CA C 41 42.843 42.843 45.351 -2.508 19637 10741 1 14 . 1 1 41 41 GLY H H 41 8.978 8.978 8.616 0.362 19637 10742 1 14 . 1 1 42 42 LEU N N 42 122.123 122.123 118.013 4.110 19637 10743 1 14 . 1 1 42 42 LEU C C 42 175.350 175.350 175.059 0.291 19637 10744 1 14 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.391 -2.236 19637 10745 1 14 . 1 1 42 42 LEU CB C 42 45.377 45.377 46.066 -0.689 19637 10746 1 14 . 1 1 42 42 LEU H H 42 8.679 8.679 8.640 0.039 19637 10747 1 14 . 1 1 43 43 THR N N 43 109.917 109.917 112.350 -2.433 19637 10748 1 14 . 1 1 43 43 THR C C 43 173.516 173.516 172.776 0.740 19637 10749 1 14 . 1 1 43 43 THR CA C 43 58.057 58.057 59.648 -1.591 19637 10750 1 14 . 1 1 43 43 THR CB C 43 70.029 70.029 72.076 -2.047 19637 10751 1 14 . 1 1 43 43 THR H H 43 8.792 8.792 8.559 0.233 19637 10752 1 14 . 1 1 44 44 PHE N N 44 118.699 118.699 119.587 -0.888 19637 10753 1 14 . 1 1 44 44 PHE C C 44 173.917 173.917 174.944 -1.027 19637 10754 1 14 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.505 -1.025 19637 10755 1 14 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.788 -2.023 19637 10756 1 14 . 1 1 44 44 PHE H H 44 8.566 8.566 9.078 -0.512 19637 10757 1 14 . 1 1 45 45 THR N N 45 118.229 118.229 118.323 -0.094 19637 10758 1 14 . 1 1 45 45 THR C C 45 170.886 170.886 172.933 -2.047 19637 10759 1 14 . 1 1 45 45 THR CA C 45 60.097 60.097 59.705 0.392 19637 10760 1 14 . 1 1 45 45 THR CB C 45 68.433 68.433 71.424 -2.991 19637 10761 1 14 . 1 1 45 45 THR H H 45 7.903 7.903 9.068 -1.165 19637 10762 1 14 . 1 1 46 46 TYR N N 46 124.450 124.450 129.272 -4.822 19637 10763 1 14 . 1 1 46 46 TYR C C 46 174.254 174.254 173.158 1.096 19637 10764 1 14 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.132 -0.982 19637 10765 1 14 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.995 1.278 19637 10766 1 14 . 1 1 46 46 TYR H H 46 8.941 8.941 8.766 0.175 19637 10767 1 14 . 1 1 47 47 MET N N 47 123.598 123.598 126.190 -2.592 19637 10768 1 14 . 1 1 47 47 MET C C 47 175.082 175.082 174.647 0.435 19637 10769 1 14 . 1 1 47 47 MET CA C 47 50.425 50.425 53.943 -3.518 19637 10770 1 14 . 1 1 47 47 MET CB C 47 26.222 26.222 33.944 -7.722 19637 10771 1 14 . 1 1 47 47 MET H H 47 7.798 7.798 8.112 -0.314 19637 10772 1 14 . 1 1 48 48 ALA N N 48 129.975 129.975 125.113 4.862 19637 10773 1 14 . 1 1 48 48 ALA C C 48 178.568 178.568 177.135 1.433 19637 10774 1 14 . 1 1 48 48 ALA CA C 48 53.305 53.305 52.736 0.569 19637 10775 1 14 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.787 -2.075 19637 10776 1 14 . 1 1 48 48 ALA H H 48 8.717 8.717 8.304 0.413 19637 10777 1 14 . 1 1 49 49 THR N N 49 106.011 106.011 111.580 -5.569 19637 10778 1 14 . 1 1 49 49 THR C C 49 171.950 171.950 172.955 -1.005 19637 10779 1 14 . 1 1 49 49 THR CA C 49 57.786 57.786 62.673 -4.887 19637 10780 1 14 . 1 1 49 49 THR CB C 49 70.535 70.535 68.405 2.130 19637 10781 1 14 . 1 1 49 49 THR H H 49 8.072 8.072 8.031 0.041 19637 10782 1 14 . 1 1 50 50 ASP N N 50 114.062 114.062 122.624 -8.562 19637 10783 1 14 . 1 1 50 50 ASP C C 50 175.318 175.318 175.107 0.211 19637 10784 1 14 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.321 0.455 19637 10785 1 14 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.863 -1.073 19637 10786 1 14 . 1 1 50 50 ASP H H 50 8.390 8.390 8.286 0.104 19637 10787 1 14 . 1 1 51 51 ASN N N 51 111.850 111.850 114.040 -2.190 19637 10788 1 14 . 1 1 51 51 ASN C C 51 171.684 171.684 173.042 -1.358 19637 10789 1 14 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.115 0.301 19637 10790 1 14 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.830 2.403 19637 10791 1 14 . 1 1 51 51 ASN H H 51 7.887 7.887 8.354 -0.467 19637 10792 1 14 . 1 1 52 52 ILE N N 52 118.929 118.929 111.916 7.013 19637 10793 1 14 . 1 1 52 52 ILE C C 52 175.495 175.495 174.278 1.217 19637 10794 1 14 . 1 1 52 52 ILE CA C 52 59.648 59.648 58.802 0.846 19637 10795 1 14 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.963 -3.479 19637 10796 1 14 . 1 1 52 52 ILE H H 52 7.707 7.707 7.337 0.370 19637 10797 1 14 . 1 1 53 53 GLY N N 53 114.998 114.998 112.350 2.648 19637 10798 1 14 . 1 1 53 53 GLY C C 53 171.536 171.536 172.198 -0.662 19637 10799 1 14 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.364 -1.432 19637 10800 1 14 . 1 1 53 53 GLY H H 53 8.678 8.678 8.629 0.049 19637 10801 1 14 . 1 1 54 54 VAL N N 54 118.327 118.327 120.831 -2.504 19637 10802 1 14 . 1 1 54 54 VAL C C 54 173.309 173.309 174.989 -1.680 19637 10803 1 14 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.166 -1.518 19637 10804 1 14 . 1 1 54 54 VAL CB C 54 32.873 32.873 32.786 0.087 19637 10805 1 14 . 1 1 54 54 VAL H H 54 8.734 8.734 8.425 0.309 19637 10806 1 14 . 1 1 55 55 GLU N N 55 126.907 126.907 127.973 -1.066 19637 10807 1 14 . 1 1 55 55 GLU C C 55 173.575 173.575 175.181 -1.606 19637 10808 1 14 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.951 -1.682 19637 10809 1 14 . 1 1 55 55 GLU CB C 55 34.727 34.727 31.667 3.060 19637 10810 1 14 . 1 1 55 55 GLU H H 55 9.084 9.084 8.817 0.267 19637 10811 1 14 . 1 1 56 56 LEU N N 56 126.739 126.739 126.145 0.594 19637 10812 1 14 . 1 1 56 56 LEU C C 56 174.786 174.786 175.421 -0.635 19637 10813 1 14 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.638 -1.705 19637 10814 1 14 . 1 1 56 56 LEU CB C 56 45.022 45.022 43.531 1.491 19637 10815 1 14 . 1 1 56 56 LEU H H 56 9.168 9.168 9.266 -0.098 19637 10816 1 14 . 1 1 57 57 LEU N N 57 127.189 127.189 128.040 -0.851 19637 10817 1 14 . 1 1 57 57 LEU C C 57 174.579 174.579 174.404 0.175 19637 10818 1 14 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.430 -0.339 19637 10819 1 14 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.867 -1.708 19637 10820 1 14 . 1 1 57 57 LEU H H 57 9.174 9.174 8.986 0.188 19637 10821 1 14 . 1 1 58 58 ALA N N 58 125.061 125.061 127.559 -2.498 19637 10822 1 14 . 1 1 58 58 ALA C C 58 172.925 172.925 175.139 -2.214 19637 10823 1 14 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.965 -2.041 19637 10824 1 14 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.837 -1.758 19637 10825 1 14 . 1 1 58 58 ALA H H 58 9.435 9.435 8.933 0.502 19637 10826 1 14 . 1 1 59 59 ALA N N 59 116.911 116.911 123.869 -6.958 19637 10827 1 14 . 1 1 59 59 ALA C C 59 176.248 176.248 176.604 -0.356 19637 10828 1 14 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.191 -1.120 19637 10829 1 14 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.263 -1.604 19637 10830 1 14 . 1 1 59 59 ALA H H 59 6.833 6.833 8.228 -1.395 19637 10831 1 14 . 1 1 60 60 THR N N 60 105.771 105.771 114.445 -8.674 19637 10832 1 14 . 1 1 60 60 THR C C 60 170.975 170.975 173.947 -2.972 19637 10833 1 14 . 1 1 60 60 THR CA C 60 59.515 59.515 61.216 -1.701 19637 10834 1 14 . 1 1 60 60 THR CB C 60 63.487 63.487 67.791 -4.304 19637 10835 1 14 . 1 1 60 60 THR H H 60 7.718 7.718 8.501 -0.783 19637 10836 1 14 . 1 1 62 62 PHE N N 62 122.473 122.473 118.579 3.894 19637 10837 1 14 . 1 1 62 62 PHE C C 62 174.934 174.934 175.287 -0.353 19637 10838 1 14 . 1 1 62 62 PHE CA C 62 56.721 56.721 58.451 -1.730 19637 10839 1 14 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.360 0.253 19637 10840 1 14 . 1 1 62 62 PHE H H 62 8.251 8.251 8.316 -0.065 19637 10841 1 14 . 1 1 63 63 ARG N N 63 118.016 118.016 122.931 -4.915 19637 10842 1 14 . 1 1 63 63 ARG C C 63 174.423 174.423 174.278 0.145 19637 10843 1 14 . 1 1 63 63 ARG CA C 63 52.648 52.648 56.200 -3.552 19637 10844 1 14 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.379 -1.481 19637 10845 1 14 . 1 1 63 63 ARG H H 63 7.378 7.378 8.488 -1.110 19637 10846 1 14 . 1 1 64 64 HIS N N 64 120.040 120.040 121.262 -1.222 19637 10847 1 14 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.039 -3.086 19637 10848 1 14 . 1 1 64 64 HIS H H 64 8.588 8.588 8.591 -0.003 19637 10849 1 14 . 1 1 66 66 ILE N N 66 122.668 122.668 124.341 -1.673 19637 10850 1 14 . 1 1 66 66 ILE C C 66 175.141 175.141 174.507 0.634 19637 10851 1 14 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.241 -1.278 19637 10852 1 14 . 1 1 66 66 ILE CB C 66 38.637 38.637 41.539 -2.902 19637 10853 1 14 . 1 1 66 66 ILE H H 66 8.726 8.726 8.518 0.208 19637 10854 1 14 . 1 1 67 67 GLY N N 67 114.948 114.948 112.831 2.117 19637 10855 1 14 . 1 1 67 67 GLY C C 67 172.570 172.570 172.773 -0.203 19637 10856 1 14 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.644 -0.515 19637 10857 1 14 . 1 1 67 67 GLY H H 67 8.780 8.780 8.489 0.291 19637 10858 1 14 . 1 1 68 68 THR N N 68 106.079 106.079 113.231 -7.152 19637 10859 1 14 . 1 1 68 68 THR C C 68 175.574 175.574 173.376 2.198 19637 10860 1 14 . 1 1 68 68 THR CA C 68 58.672 58.672 60.870 -2.198 19637 10861 1 14 . 1 1 68 68 THR CB C 68 71.270 71.270 70.915 0.355 19637 10862 1 14 . 1 1 68 68 THR H H 68 7.431 7.431 7.492 -0.061 19637 10863 1 14 . 1 1 69 69 ARG N N 69 122.303 122.303 123.154 -0.851 19637 10864 1 14 . 1 1 69 69 ARG C C 69 178.298 178.298 175.906 2.392 19637 10865 1 14 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.151 1.078 19637 10866 1 14 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.401 -2.228 19637 10867 1 14 . 1 1 69 69 ARG H H 69 8.783 8.783 8.683 0.100 19637 10868 1 14 . 1 1 70 70 ALA N N 70 117.681 117.681 123.679 -5.998 19637 10869 1 14 . 1 1 70 70 ALA C C 70 179.281 179.281 178.112 1.169 19637 10870 1 14 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.326 -1.057 19637 10871 1 14 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.615 -0.640 19637 10872 1 14 . 1 1 70 70 ALA H H 70 8.262 8.262 8.562 -0.299 19637 10873 1 14 . 1 1 71 71 THR N N 71 105.486 105.486 109.959 -4.473 19637 10874 1 14 . 1 1 71 71 THR C C 71 176.136 176.136 176.205 -0.069 19637 10875 1 14 . 1 1 71 71 THR CA C 71 60.895 60.895 63.973 -3.078 19637 10876 1 14 . 1 1 71 71 THR CB C 71 70.383 70.383 69.120 1.263 19637 10877 1 14 . 1 1 71 71 THR H H 71 7.473 7.473 7.872 -0.399 19637 10878 1 14 . 1 1 72 72 GLY N N 72 111.099 111.099 109.138 1.961 19637 10879 1 14 . 1 1 72 72 GLY C C 72 175.052 175.052 174.828 0.224 19637 10880 1 14 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.870 -1.824 19637 10881 1 14 . 1 1 72 72 GLY H H 72 8.194 8.194 7.647 0.547 19637 10882 1 14 . 1 1 73 73 ASP N N 73 121.919 121.919 120.049 1.870 19637 10883 1 14 . 1 1 73 73 ASP C C 73 177.889 177.889 175.986 1.903 19637 10884 1 14 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.803 -1.761 19637 10885 1 14 . 1 1 73 73 ASP CB C 73 39.524 39.524 40.732 -1.208 19637 10886 1 14 . 1 1 73 73 ASP H H 73 8.668 8.668 8.440 0.228 19637 10887 1 14 . 1 1 74 74 ILE N N 74 117.113 117.113 113.263 3.850 19637 10888 1 14 . 1 1 74 74 ILE C C 74 175.013 175.013 173.806 1.207 19637 10889 1 14 . 1 1 74 74 ILE CA C 74 59.914 59.914 59.932 -0.018 19637 10890 1 14 . 1 1 74 74 ILE CB C 74 41.297 41.297 40.995 0.302 19637 10891 1 14 . 1 1 74 74 ILE H H 74 9.327 9.327 8.064 1.263 19637 10892 1 14 . 1 1 75 75 ALA N N 75 121.329 121.329 127.066 -5.737 19637 10893 1 14 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.972 -0.548 19637 10894 1 14 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.866 0.657 19637 10895 1 14 . 1 1 75 75 ALA H H 75 8.086 8.086 8.204 -0.118 19637 10896 1 14 . 1 1 76 76 THR N N 76 116.168 116.168 115.747 0.421 19637 10897 1 14 . 1 1 76 76 THR C C 76 173.043 173.043 173.492 -0.449 19637 10898 1 14 . 1 1 76 76 THR CA C 76 60.540 60.540 61.381 -0.841 19637 10899 1 14 . 1 1 76 76 THR CB C 76 69.674 69.674 69.276 0.398 19637 10900 1 14 . 1 1 76 76 THR H H 76 8.539 8.539 8.497 0.042 19637 10901 1 14 . 1 1 77 77 VAL N N 77 117.996 117.996 119.719 -1.723 19637 10902 1 14 . 1 1 77 77 VAL C C 77 174.964 174.964 173.314 1.650 19637 10903 1 14 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.656 -2.308 19637 10904 1 14 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.940 -0.914 19637 10905 1 14 . 1 1 77 77 VAL H H 77 8.578 8.578 8.211 0.367 19637 10906 1 14 . 1 1 78 78 HIS N N 78 116.541 116.541 123.667 -7.126 19637 10907 1 14 . 1 1 78 78 HIS C C 78 173.634 173.634 173.621 0.013 19637 10908 1 14 . 1 1 78 78 HIS CA C 78 52.825 52.825 53.597 -0.772 19637 10909 1 14 . 1 1 78 78 HIS CB C 78 29.947 29.947 30.666 -0.719 19637 10910 1 14 . 1 1 78 78 HIS H H 78 7.822 7.822 7.659 0.163 19637 10911 1 14 . 1 1 79 79 HIS N N 79 113.176 113.176 119.912 -6.736 19637 10912 1 14 . 1 1 79 79 HIS C C 79 173.841 173.841 173.633 0.208 19637 10913 1 14 . 1 1 79 79 HIS CA C 79 54.416 54.416 53.495 0.921 19637 10914 1 14 . 1 1 79 79 HIS CB C 79 34.026 34.026 33.709 0.318 19637 10915 1 14 . 1 1 79 79 HIS H H 79 7.912 7.912 7.842 0.070 19637 10916 1 14 . 1 1 80 80 LEU N N 80 118.153 118.153 121.125 -2.972 19637 10917 1 14 . 1 1 80 80 LEU C C 80 177.821 177.821 177.080 0.741 19637 10918 1 14 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.819 -1.660 19637 10919 1 14 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.432 3.831 19637 10920 1 14 . 1 1 80 80 LEU H H 80 8.205 8.205 8.720 -0.515 19637 10921 1 14 . 1 1 83 83 THR N N 83 115.326 115.326 115.188 0.138 19637 10922 1 14 . 1 1 83 83 THR C C 83 171.362 171.362 173.164 -1.802 19637 10923 1 14 . 1 1 83 83 THR CA C 83 60.540 60.540 59.904 0.636 19637 10924 1 14 . 1 1 83 83 THR CB C 83 72.068 72.068 72.196 -0.128 19637 10925 1 14 . 1 1 83 83 THR H H 83 7.688 7.688 8.673 -0.985 19637 10926 1 14 . 1 1 84 84 LEU N N 84 129.848 129.848 123.061 6.787 19637 10927 1 14 . 1 1 84 84 LEU C C 84 174.373 174.373 175.251 -0.878 19637 10928 1 14 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.212 -1.792 19637 10929 1 14 . 1 1 84 84 LEU CB C 84 44.756 44.756 45.895 -1.139 19637 10930 1 14 . 1 1 84 84 LEU H H 84 9.013 9.013 8.631 0.382 19637 10931 1 14 . 1 1 85 85 MET N N 85 121.374 121.374 122.101 -0.727 19637 10932 1 14 . 1 1 85 85 MET C C 85 175.407 175.407 174.409 0.998 19637 10933 1 14 . 1 1 85 85 MET CA C 85 52.421 52.421 54.581 -2.159 19637 10934 1 14 . 1 1 85 85 MET CB C 85 34.558 34.558 36.409 -1.851 19637 10935 1 14 . 1 1 85 85 MET H H 85 9.823 9.823 9.014 0.809 19637 10936 1 14 . 1 1 86 86 ALA N N 86 123.689 123.689 127.104 -3.415 19637 10937 1 14 . 1 1 86 86 ALA C C 86 176.205 176.205 175.970 0.235 19637 10938 1 14 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.959 -2.154 19637 10939 1 14 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.207 -1.256 19637 10940 1 14 . 1 1 86 86 ALA H H 86 9.080 9.080 8.953 0.127 19637 10941 1 14 . 1 1 87 87 GLN N N 87 116.548 116.548 123.204 -6.656 19637 10942 1 14 . 1 1 87 87 GLN C C 87 175.495 175.495 173.921 1.574 19637 10943 1 14 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.123 -1.765 19637 10944 1 14 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.923 1.369 19637 10945 1 14 . 1 1 87 87 GLN H H 87 9.061 9.061 8.806 0.255 19637 10946 1 14 . 1 1 88 88 TRP N N 88 119.609 119.609 129.773 -10.164 19637 10947 1 14 . 1 1 88 88 TRP C C 88 174.727 174.727 174.072 0.655 19637 10948 1 14 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.816 -0.862 19637 10949 1 14 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.307 -2.828 19637 10950 1 14 . 1 1 88 88 TRP H H 88 8.893 8.893 9.263 -0.370 19637 10951 1 14 . 1 1 89 89 TYR N N 89 124.849 124.849 128.277 -3.428 19637 10952 1 14 . 1 1 89 89 TYR C C 89 176.382 176.382 174.775 1.607 19637 10953 1 14 . 1 1 89 89 TYR CA C 89 55.042 55.042 58.362 -3.320 19637 10954 1 14 . 1 1 89 89 TYR H H 89 8.815 8.815 8.599 0.216 19637 10955 1 14 . 1 1 90 90 PHE N N 90 122.137 122.137 126.781 -4.644 19637 10956 1 14 . 1 1 90 90 PHE C C 90 176.304 176.304 175.289 1.015 19637 10957 1 14 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.219 0.602 19637 10958 1 14 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.077 -1.617 19637 10959 1 14 . 1 1 90 90 PHE H H 90 9.171 9.171 8.738 0.433 19637 10960 1 14 . 1 1 91 91 GLY N N 91 108.961 108.961 115.113 -6.152 19637 10961 1 14 . 1 1 91 91 GLY C C 91 172.748 172.748 172.838 -0.090 19637 10962 1 14 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.836 -0.505 19637 10963 1 14 . 1 1 91 91 GLY H H 91 9.342 9.342 7.773 1.569 19637 10964 1 14 . 1 1 92 92 ASP N N 92 119.869 119.869 120.145 -0.276 19637 10965 1 14 . 1 1 92 92 ASP C C 92 175.968 175.968 175.989 -0.021 19637 10966 1 14 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.037 -2.415 19637 10967 1 14 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.862 -0.299 19637 10968 1 14 . 1 1 92 92 ASP H H 92 8.612 8.612 8.337 0.275 19637 10969 1 14 . 1 1 93 93 ALA N N 93 117.665 117.665 119.586 -1.921 19637 10970 1 14 . 1 1 93 93 ALA C C 93 178.748 178.748 176.497 2.251 19637 10971 1 14 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.041 1.139 19637 10972 1 14 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.017 -2.107 19637 10973 1 14 . 1 1 93 93 ALA H H 93 8.673 8.673 7.621 1.052 19637 10974 1 14 . 1 1 94 94 SER N N 94 115.062 115.062 114.001 1.061 19637 10975 1 14 . 1 1 94 94 SER C C 94 175.348 175.348 173.833 1.515 19637 10976 1 14 . 1 1 94 94 SER CA C 94 58.185 58.185 60.099 -1.914 19637 10977 1 14 . 1 1 94 94 SER CB C 94 62.757 62.757 62.597 0.160 19637 10978 1 14 . 1 1 94 94 SER H H 94 8.902 8.902 8.711 0.191 19637 10979 1 14 . 1 1 95 95 SER N N 95 120.754 120.754 114.452 6.302 19637 10980 1 14 . 1 1 95 95 SER CA C 95 58.451 58.451 57.395 1.056 19637 10981 1 14 . 1 1 95 95 SER CB C 95 62.580 62.580 64.826 -2.247 19637 10982 1 14 . 1 1 95 95 SER H H 95 7.922 7.922 7.956 -0.034 19637 10983 1 14 . 1 1 96 96 LYS N N 96 120.924 120.924 120.858 0.066 19637 10984 1 14 . 1 1 96 96 LYS CA C 96 54.599 54.599 58.630 -4.031 19637 10985 1 14 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.708 -1.341 19637 10986 1 14 . 1 1 96 96 LYS H H 96 8.555 8.555 8.278 0.277 19637 10987 1 14 . 1 1 97 97 PHE N N 97 117.773 117.773 116.683 1.090 19637 10988 1 14 . 1 1 97 97 PHE CA C 97 54.688 54.688 57.919 -3.231 19637 10989 1 14 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.187 0.135 19637 10990 1 14 . 1 1 97 97 PHE H H 97 7.596 7.596 7.785 -0.189 19637 10991 1 14 . 1 1 98 98 ARG N N 98 120.982 120.982 117.976 3.006 19637 10992 1 14 . 1 1 98 98 ARG C C 98 173.047 173.047 173.701 -0.654 19637 10993 1 14 . 1 1 98 98 ARG CA C 98 52.471 52.471 54.042 -1.571 19637 10994 1 14 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.580 1.052 19637 10995 1 14 . 1 1 98 98 ARG H H 98 8.823 8.823 8.297 0.526 19637 10996 1 14 . 1 1 100 100 TYR N N 100 117.775 117.775 113.468 4.307 19637 10997 1 14 . 1 1 100 100 TYR C C 100 173.047 173.047 173.176 -0.129 19637 10998 1 14 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.584 -1.630 19637 10999 1 14 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.555 -0.031 19637 11000 1 14 . 1 1 100 100 TYR H H 100 8.885 8.885 8.243 0.642 19637 11001 1 14 . 1 1 101 101 VAL N N 101 111.744 111.744 117.699 -5.955 19637 11002 1 14 . 1 1 101 101 VAL C C 101 173.457 173.457 173.648 -0.191 19637 11003 1 14 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.934 -3.829 19637 11004 1 14 . 1 1 101 101 VAL CB C 101 34.381 34.381 35.380 -0.999 19637 11005 1 14 . 1 1 101 101 VAL H H 101 8.365 8.365 8.725 -0.360 19637 11006 1 14 . 1 1 102 102 GLY N N 102 108.300 108.300 113.049 -4.749 19637 11007 1 14 . 1 1 102 102 GLY C C 102 171.241 171.241 171.666 -0.425 19637 11008 1 14 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.649 0.323 19637 11009 1 14 . 1 1 102 102 GLY H H 102 8.271 8.271 8.595 -0.324 19637 11010 1 14 . 1 1 103 103 ALA N N 103 120.836 120.836 121.459 -0.623 19637 11011 1 14 . 1 1 103 103 ALA C C 103 175.614 175.614 175.365 0.249 19637 11012 1 14 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.531 -1.698 19637 11013 1 14 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.002 -0.284 19637 11014 1 14 . 1 1 103 103 ALA H H 103 9.048 9.048 8.431 0.617 19637 11015 1 14 . 1 1 104 104 GLY N N 104 107.477 107.477 110.748 -3.271 19637 11016 1 14 . 1 1 104 104 GLY C C 104 171.832 171.832 172.850 -1.018 19637 11017 1 14 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.208 2.271 19637 11018 1 14 . 1 1 104 104 GLY H H 104 8.661 8.661 8.646 0.015 19637 11019 1 14 . 1 1 105 105 ILE N N 105 118.575 118.575 125.863 -7.288 19637 11020 1 14 . 1 1 105 105 ILE C C 105 172.275 172.275 173.937 -1.662 19637 11021 1 14 . 1 1 105 105 ILE CA C 105 57.348 57.348 59.236 -1.888 19637 11022 1 14 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.137 0.515 19637 11023 1 14 . 1 1 105 105 ILE H H 105 9.020 9.020 9.017 0.003 19637 11024 1 14 . 1 1 106 106 ASN N N 106 123.879 123.879 128.737 -4.858 19637 11025 1 14 . 1 1 106 106 ASN C C 106 171.418 171.418 173.918 -2.500 19637 11026 1 14 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.715 -0.131 19637 11027 1 14 . 1 1 106 106 ASN CB C 106 40.854 40.854 38.785 2.069 19637 11028 1 14 . 1 1 106 106 ASN H H 106 9.659 9.659 8.225 1.434 19637 11029 1 14 . 1 1 107 107 TYR N N 107 125.744 125.744 129.613 -3.869 19637 11030 1 14 . 1 1 107 107 TYR C C 107 173.073 173.073 174.873 -1.800 19637 11031 1 14 . 1 1 107 107 TYR CA C 107 54.504 54.504 58.071 -3.567 19637 11032 1 14 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.010 1.844 19637 11033 1 14 . 1 1 107 107 TYR H H 107 8.273 8.273 8.558 -0.285 19637 11034 1 14 . 1 1 108 108 THR N N 108 119.337 119.337 125.763 -6.426 19637 11035 1 14 . 1 1 108 108 THR C C 108 172.457 172.457 173.288 -0.831 19637 11036 1 14 . 1 1 108 108 THR CA C 108 60.452 60.452 61.217 -0.765 19637 11037 1 14 . 1 1 108 108 THR CB C 108 69.319 69.319 71.394 -2.075 19637 11038 1 14 . 1 1 108 108 THR H H 108 8.446 8.446 8.631 -0.185 19637 11039 1 14 . 1 1 109 109 THR N N 109 118.655 118.655 116.344 2.311 19637 11040 1 14 . 1 1 109 109 THR C C 109 171.625 171.625 173.869 -2.244 19637 11041 1 14 . 1 1 109 109 THR CA C 109 56.810 56.810 59.876 -3.066 19637 11042 1 14 . 1 1 109 109 THR H H 109 7.548 7.548 8.259 -0.711 19637 11043 1 14 . 1 1 112 112 ASP N N 112 116.796 116.796 121.502 -4.706 19637 11044 1 14 . 1 1 112 112 ASP C C 112 175.490 175.490 173.889 1.601 19637 11045 1 14 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.280 0.604 19637 11046 1 14 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.304 -4.642 19637 11047 1 14 . 1 1 112 112 ASP H H 112 8.995 8.995 8.133 0.862 19637 11048 1 14 . 1 1 113 113 ASN N N 113 117.801 117.801 119.581 -1.780 19637 11049 1 14 . 1 1 113 113 ASN C C 113 175.702 175.702 175.829 -0.127 19637 11050 1 14 . 1 1 113 113 ASN CA C 113 50.736 50.736 55.537 -4.801 19637 11051 1 14 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.688 -1.340 19637 11052 1 14 . 1 1 113 113 ASN H H 113 8.410 8.410 8.118 0.292 19637 11053 1 14 . 1 1 114 114 GLY N N 114 107.744 107.744 107.128 0.616 19637 11054 1 14 . 1 1 114 114 GLY C C 114 171.979 171.979 173.765 -1.786 19637 11055 1 14 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.199 -0.405 19637 11056 1 14 . 1 1 114 114 GLY H H 114 8.557 8.557 8.071 0.486 19637 11057 1 14 . 1 1 115 115 PHE N N 115 119.554 119.554 120.447 -0.893 19637 11058 1 14 . 1 1 115 115 PHE C C 115 176.192 176.192 174.110 2.082 19637 11059 1 14 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.204 -1.714 19637 11060 1 14 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.598 0.483 19637 11061 1 14 . 1 1 115 115 PHE H H 115 8.607 8.607 8.911 -0.304 19637 11062 1 14 . 1 1 116 116 ASN N N 116 120.356 120.356 119.222 1.134 19637 11063 1 14 . 1 1 116 116 ASN C C 116 175.407 175.407 175.141 0.266 19637 11064 1 14 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.514 -2.443 19637 11065 1 14 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.536 -4.495 19637 11066 1 14 . 1 1 116 116 ASN H H 116 8.240 8.240 8.431 -0.191 19637 11067 1 14 . 1 1 117 117 ASP N N 117 117.610 117.610 122.242 -4.632 19637 11068 1 14 . 1 1 117 117 ASP C C 117 178.298 178.298 177.846 0.452 19637 11069 1 14 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.410 -1.062 19637 11070 1 14 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.976 -2.428 19637 11071 1 14 . 1 1 117 117 ASP H H 117 8.460 8.460 8.848 -0.388 19637 11072 1 14 . 1 1 118 118 HIS N N 118 118.493 118.493 118.517 -0.024 19637 11073 1 14 . 1 1 118 118 HIS C C 118 177.821 177.821 177.340 0.481 19637 11074 1 14 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.284 -1.518 19637 11075 1 14 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.759 -3.032 19637 11076 1 14 . 1 1 118 118 HIS H H 118 8.185 8.185 8.465 -0.280 19637 11077 1 14 . 1 1 119 119 GLY N N 119 107.937 107.937 107.778 0.159 19637 11078 1 14 . 1 1 119 119 GLY C C 119 175.082 175.082 175.856 -0.774 19637 11079 1 14 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.711 -0.099 19637 11080 1 14 . 1 1 119 119 GLY H H 119 8.788 8.788 8.571 0.217 19637 11081 1 14 . 1 1 120 120 LYS N N 120 122.898 122.898 122.006 0.892 19637 11082 1 14 . 1 1 120 120 LYS C C 120 181.612 181.612 179.370 2.242 19637 11083 1 14 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.138 -0.421 19637 11084 1 14 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.358 -1.702 19637 11085 1 14 . 1 1 120 120 LYS H H 120 8.890 8.890 8.287 0.603 19637 11086 1 14 . 1 1 121 121 GLU N N 121 120.995 120.995 119.444 1.551 19637 11087 1 14 . 1 1 121 121 GLU C C 121 177.327 177.327 176.609 0.718 19637 11088 1 14 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.114 -0.461 19637 11089 1 14 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.396 -1.666 19637 11090 1 14 . 1 1 121 121 GLU H H 121 8.234 8.234 7.853 0.381 19637 11091 1 14 . 1 1 122 122 ALA N N 122 119.811 119.811 119.076 0.735 19637 11092 1 14 . 1 1 122 122 ALA C C 122 176.500 176.500 177.697 -1.197 19637 11093 1 14 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.098 -0.056 19637 11094 1 14 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.122 -2.412 19637 11095 1 14 . 1 1 122 122 ALA H H 122 7.259 7.259 7.142 0.117 19637 11096 1 14 . 1 1 123 123 GLY N N 123 103.863 103.863 108.412 -4.549 19637 11097 1 14 . 1 1 123 123 GLY C C 123 175.082 175.082 174.406 0.676 19637 11098 1 14 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.036 -1.772 19637 11099 1 14 . 1 1 123 123 GLY H H 123 7.745 7.745 7.636 0.109 19637 11100 1 14 . 1 1 124 124 LEU N N 124 123.722 123.722 119.916 3.806 19637 11101 1 14 . 1 1 124 124 LEU C C 124 176.293 176.293 175.709 0.584 19637 11102 1 14 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.194 0.075 19637 11103 1 14 . 1 1 124 124 LEU CB C 124 38.016 38.016 44.937 -6.921 19637 11104 1 14 . 1 1 124 124 LEU H H 124 7.461 7.461 7.559 -0.098 19637 11105 1 14 . 1 1 125 125 SER N N 125 114.112 114.112 112.625 1.487 19637 11106 1 14 . 1 1 125 125 SER C C 125 173.250 173.250 175.350 -2.100 19637 11107 1 14 . 1 1 125 125 SER CA C 125 57.259 57.259 59.131 -1.872 19637 11108 1 14 . 1 1 125 125 SER CB C 125 65.684 65.684 61.801 3.883 19637 11109 1 14 . 1 1 125 125 SER H H 125 8.809 8.809 8.773 0.036 19637 11110 1 14 . 1 1 126 126 ASP N N 126 117.817 117.817 118.796 -0.979 19637 11111 1 14 . 1 1 126 126 ASP C C 126 174.107 174.107 176.183 -2.076 19637 11112 1 14 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.860 -0.267 19637 11113 1 14 . 1 1 126 126 ASP CB C 126 38.726 38.726 41.558 -2.832 19637 11114 1 14 . 1 1 126 126 ASP H H 126 9.035 9.035 8.798 0.237 19637 11115 1 14 . 1 1 127 127 LEU N N 127 120.160 120.160 119.600 0.560 19637 11116 1 14 . 1 1 127 127 LEU C C 127 176.726 176.726 175.009 1.717 19637 11117 1 14 . 1 1 127 127 LEU CA C 127 54.371 54.371 56.162 -1.791 19637 11118 1 14 . 1 1 127 127 LEU CB C 127 40.322 40.322 42.289 -1.967 19637 11119 1 14 . 1 1 127 127 LEU H H 127 8.109 8.109 7.948 0.161 19637 11120 1 14 . 1 1 128 128 SER N N 128 120.909 120.909 111.813 9.096 19637 11121 1 14 . 1 1 128 128 SER C C 128 172.038 172.038 173.340 -1.302 19637 11122 1 14 . 1 1 128 128 SER CA C 128 57.120 57.120 57.598 -0.478 19637 11123 1 14 . 1 1 128 128 SER CB C 128 64.353 64.353 64.849 -0.496 19637 11124 1 14 . 1 1 128 128 SER H H 128 9.499 9.499 8.736 0.763 19637 11125 1 14 . 1 1 129 129 LEU N N 129 122.260 122.260 125.874 -3.614 19637 11126 1 14 . 1 1 129 129 LEU C C 129 176.411 176.411 177.413 -1.002 19637 11127 1 14 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.108 -1.269 19637 11128 1 14 . 1 1 129 129 LEU CB C 129 42.539 42.539 43.083 -0.544 19637 11129 1 14 . 1 1 129 129 LEU H H 129 8.182 8.182 8.414 -0.232 19637 11130 1 14 . 1 1 130 130 LYS N N 130 122.490 122.490 122.077 0.413 19637 11131 1 14 . 1 1 130 130 LYS C C 130 176.754 176.754 174.808 1.946 19637 11132 1 14 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.014 0.028 19637 11133 1 14 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.367 -0.849 19637 11134 1 14 . 1 1 130 130 LYS H H 130 7.536 7.536 8.449 -0.913 19637 11135 1 14 . 1 1 131 131 ASP N N 131 123.217 123.217 120.884 2.333 19637 11136 1 14 . 1 1 131 131 ASP C C 131 175.998 175.998 175.411 0.587 19637 11137 1 14 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.682 -1.222 19637 11138 1 14 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.597 -0.364 19637 11139 1 14 . 1 1 131 131 ASP H H 131 8.782 8.782 8.685 0.097 19637 11140 1 14 . 1 1 132 132 SER N N 132 115.445 115.445 117.314 -1.869 19637 11141 1 14 . 1 1 132 132 SER C C 132 171.920 171.920 173.712 -1.792 19637 11142 1 14 . 1 1 132 132 SER CA C 132 55.790 55.790 58.569 -2.779 19637 11143 1 14 . 1 1 132 132 SER CB C 132 64.087 64.087 63.803 0.284 19637 11144 1 14 . 1 1 132 132 SER H H 132 9.016 9.016 8.527 0.489 19637 11145 1 14 . 1 1 133 133 TRP N N 133 124.389 124.389 124.909 -0.520 19637 11146 1 14 . 1 1 133 133 TRP C C 133 178.243 178.243 175.107 3.136 19637 11147 1 14 . 1 1 133 133 TRP CA C 133 55.309 55.309 53.538 1.771 19637 11148 1 14 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.074 1.327 19637 11149 1 14 . 1 1 133 133 TRP H H 133 7.896 7.896 7.800 0.096 19637 11150 1 14 . 1 1 134 134 GLY N N 134 107.658 107.658 111.601 -3.943 19637 11151 1 14 . 1 1 134 134 GLY C C 134 171.123 171.123 173.307 -2.184 19637 11152 1 14 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.052 0.698 19637 11153 1 14 . 1 1 134 134 GLY H H 134 8.896 8.896 8.649 0.247 19637 11154 1 14 . 1 1 135 135 ALA N N 135 122.244 122.244 127.117 -4.873 19637 11155 1 14 . 1 1 135 135 ALA C C 135 174.875 174.875 176.065 -1.190 19637 11156 1 14 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.524 -0.383 19637 11157 1 14 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.423 -1.117 19637 11158 1 14 . 1 1 135 135 ALA H H 135 8.946 8.946 8.172 0.774 19637 11159 1 14 . 1 1 136 136 ALA N N 136 118.579 118.579 126.430 -7.851 19637 11160 1 14 . 1 1 136 136 ALA C C 136 175.434 175.434 175.657 -0.223 19637 11161 1 14 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.587 -2.093 19637 11162 1 14 . 1 1 136 136 ALA CB C 136 23.207 23.207 22.790 0.417 19637 11163 1 14 . 1 1 136 136 ALA H H 136 8.111 8.111 8.208 -0.097 19637 11164 1 14 . 1 1 137 137 GLY N N 137 105.005 105.005 108.581 -3.576 19637 11165 1 14 . 1 1 137 137 GLY C C 137 171.300 171.300 173.205 -1.905 19637 11166 1 14 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.462 -1.280 19637 11167 1 14 . 1 1 137 137 GLY H H 137 8.933 8.933 8.236 0.697 19637 11168 1 14 . 1 1 138 138 GLN N N 138 115.695 115.695 124.350 -8.655 19637 11169 1 14 . 1 1 138 138 GLN CA C 138 53.263 53.263 53.576 -0.313 19637 11170 1 14 . 1 1 138 138 GLN H H 138 8.559 8.559 8.113 0.446 19637 11171 1 14 . 1 1 140 140 GLY N N 140 110.307 110.307 107.940 2.367 19637 11172 1 14 . 1 1 140 140 GLY C C 140 171.329 171.329 172.339 -1.010 19637 11173 1 14 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.887 0.730 19637 11174 1 14 . 1 1 140 140 GLY H H 140 7.936 7.936 7.605 0.331 19637 11175 1 14 . 1 1 141 141 VAL N N 141 112.233 112.233 114.612 -2.379 19637 11176 1 14 . 1 1 141 141 VAL C C 141 171.979 171.979 173.836 -1.857 19637 11177 1 14 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.356 -0.442 19637 11178 1 14 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.824 -0.887 19637 11179 1 14 . 1 1 141 141 VAL H H 141 8.646 8.646 8.638 0.008 19637 11180 1 14 . 1 1 142 142 ASP N N 142 122.520 122.520 127.724 -5.204 19637 11181 1 14 . 1 1 142 142 ASP C C 142 175.259 175.259 174.419 0.840 19637 11182 1 14 . 1 1 142 142 ASP CA C 142 51.711 51.711 54.009 -2.298 19637 11183 1 14 . 1 1 142 142 ASP CB C 142 43.780 43.780 43.244 0.536 19637 11184 1 14 . 1 1 142 142 ASP H H 142 7.402 7.402 8.501 -1.099 19637 11185 1 14 . 1 1 143 143 TYR N N 143 122.331 122.331 124.408 -2.077 19637 11186 1 14 . 1 1 143 143 TYR C C 143 173.870 173.870 173.738 0.132 19637 11187 1 14 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.862 -1.914 19637 11188 1 14 . 1 1 143 143 TYR CB C 143 40.765 40.765 42.061 -1.296 19637 11189 1 14 . 1 1 143 143 TYR H H 143 9.396 9.396 9.137 0.259 19637 11190 1 14 . 1 1 144 144 LEU N N 144 130.341 130.341 128.738 1.603 19637 11191 1 14 . 1 1 144 144 LEU C C 144 174.786 174.786 175.335 -0.549 19637 11192 1 14 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.464 1.060 19637 11193 1 14 . 1 1 144 144 LEU CB C 144 40.677 40.677 41.216 -0.539 19637 11194 1 14 . 1 1 144 144 LEU H H 144 8.313 8.313 7.989 0.324 19637 11195 1 14 . 1 1 145 145 ILE N N 145 124.602 124.602 126.891 -2.289 19637 11196 1 14 . 1 1 145 145 ILE C C 145 177.593 177.593 174.564 3.029 19637 11197 1 14 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.687 -1.589 19637 11198 1 14 . 1 1 145 145 ILE CB C 145 36.864 36.864 39.081 -2.217 19637 11199 1 14 . 1 1 145 145 ILE H H 145 8.809 8.809 7.866 0.943 19637 11200 1 14 . 1 1 146 146 ASN N N 146 118.348 118.348 116.261 2.087 19637 11201 1 14 . 1 1 146 146 ASN CA C 146 51.318 51.318 51.786 -0.468 19637 11202 1 14 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.039 -3.087 19637 11203 1 14 . 1 1 146 146 ASN H H 146 8.362 8.362 7.287 1.075 19637 11204 1 14 . 1 1 147 147 ARG N N 147 113.940 113.940 119.700 -5.760 19637 11205 1 14 . 1 1 147 147 ARG C C 147 176.470 176.470 175.728 0.742 19637 11206 1 14 . 1 1 147 147 ARG CA C 147 58.584 58.584 57.398 1.186 19637 11207 1 14 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.118 -1.413 19637 11208 1 14 . 1 1 147 147 ARG H H 147 8.072 8.072 8.503 -0.431 19637 11209 1 14 . 1 1 148 148 ASP N N 148 112.938 112.938 117.386 -4.448 19637 11210 1 14 . 1 1 148 148 ASP C C 148 174.373 174.373 174.706 -0.333 19637 11211 1 14 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.187 0.140 19637 11212 1 14 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.604 0.024 19637 11213 1 14 . 1 1 148 148 ASP H H 148 7.668 7.668 8.133 -0.465 19637 11214 1 14 . 1 1 149 149 TRP N N 149 116.148 116.148 115.544 0.604 19637 11215 1 14 . 1 1 149 149 TRP C C 149 175.574 175.574 173.167 2.407 19637 11216 1 14 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.618 -0.132 19637 11217 1 14 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.777 1.943 19637 11218 1 14 . 1 1 149 149 TRP H H 149 7.788 7.788 6.826 0.962 19637 11219 1 14 . 1 1 150 150 LEU N N 150 118.106 118.106 117.651 0.455 19637 11220 1 14 . 1 1 150 150 LEU C C 150 175.141 175.141 175.407 -0.266 19637 11221 1 14 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.087 -0.932 19637 11222 1 14 . 1 1 150 150 LEU CB C 150 44.401 44.401 43.627 0.774 19637 11223 1 14 . 1 1 150 150 LEU H H 150 9.306 9.306 8.748 0.558 19637 11224 1 14 . 1 1 151 151 VAL N N 151 115.211 115.211 117.193 -1.982 19637 11225 1 14 . 1 1 151 151 VAL C C 151 173.524 173.524 174.417 -0.893 19637 11226 1 14 . 1 1 151 151 VAL CA C 151 59.299 59.299 61.699 -2.400 19637 11227 1 14 . 1 1 151 151 VAL CB C 151 33.849 33.849 33.759 0.090 19637 11228 1 14 . 1 1 151 151 VAL H H 151 9.293 9.293 8.296 0.997 19637 11229 1 14 . 1 1 152 152 ASN N N 152 124.526 124.526 126.620 -2.094 19637 11230 1 14 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.286 -0.531 19637 11231 1 14 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.320 0.308 19637 11232 1 14 . 1 1 152 152 ASN H H 152 8.893 8.893 9.149 -0.256 19637 11233 1 14 . 1 1 153 153 MET N N 153 118.533 118.533 124.114 -5.581 19637 11234 1 14 . 1 1 153 153 MET C C 153 173.987 173.987 174.050 -0.063 19637 11235 1 14 . 1 1 153 153 MET CA C 153 54.017 54.017 54.840 -0.823 19637 11236 1 14 . 1 1 153 153 MET CB C 153 36.243 36.243 37.877 -1.634 19637 11237 1 14 . 1 1 153 153 MET H H 153 8.003 8.003 8.989 -0.986 19637 11238 1 14 . 1 1 154 154 SER N N 154 113.225 113.225 115.970 -2.745 19637 11239 1 14 . 1 1 154 154 SER C C 154 172.120 172.120 172.893 -0.773 19637 11240 1 14 . 1 1 154 154 SER CA C 154 56.550 56.550 57.127 -0.577 19637 11241 1 14 . 1 1 154 154 SER CB C 154 64.619 64.619 66.442 -1.823 19637 11242 1 14 . 1 1 154 154 SER H H 154 9.191 9.191 9.046 0.145 19637 11243 1 14 . 1 1 155 155 VAL N N 155 119.543 119.543 119.732 -0.189 19637 11244 1 14 . 1 1 155 155 VAL C C 155 173.973 173.973 174.227 -0.254 19637 11245 1 14 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.645 -1.262 19637 11246 1 14 . 1 1 155 155 VAL H H 155 9.190 9.190 8.291 0.899 19637 11247 1 14 . 1 1 156 156 TRP N N 156 124.596 124.596 123.127 1.469 19637 11248 1 14 . 1 1 156 156 TRP C C 156 175.237 175.237 174.427 0.810 19637 11249 1 14 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.101 -2.838 19637 11250 1 14 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.210 3.018 19637 11251 1 14 . 1 1 156 156 TRP H H 156 9.883 9.883 6.982 2.901 19637 11252 1 14 . 1 1 160 160 ILE N N 160 123.211 123.211 115.226 7.985 19637 11253 1 14 . 1 1 160 160 ILE C C 160 173.545 173.545 173.775 -0.230 19637 11254 1 14 . 1 1 160 160 ILE CA C 160 60.269 60.269 58.931 1.338 19637 11255 1 14 . 1 1 160 160 ILE H H 160 7.948 7.948 7.753 0.195 19637 11256 1 14 . 1 1 161 161 ASP N N 161 128.357 128.357 123.578 4.779 19637 11257 1 14 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.339 -0.918 19637 11258 1 14 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.766 0.064 19637 11259 1 14 . 1 1 161 161 ASP H H 161 8.302 8.302 8.072 0.230 19637 11260 1 14 . 1 1 162 162 THR N N 162 117.472 117.472 120.345 -2.873 19637 11261 1 14 . 1 1 162 162 THR CA C 162 57.259 57.259 60.488 -3.229 19637 11262 1 14 . 1 1 162 162 THR CB C 162 68.167 68.167 69.740 -1.573 19637 11263 1 14 . 1 1 162 162 THR H H 162 8.788 8.788 7.960 0.828 19637 11264 1 14 . 1 1 163 163 THR N N 163 120.189 120.189 123.098 -2.909 19637 11265 1 14 . 1 1 163 163 THR CA C 163 60.629 60.629 61.885 -1.256 19637 11266 1 14 . 1 1 163 163 THR CB C 163 68.278 68.278 69.007 -0.729 19637 11267 1 14 . 1 1 163 163 THR H H 163 8.429 8.429 8.528 -0.099 19637 11268 1 14 . 1 1 164 164 ALA N N 164 127.991 127.991 128.350 -0.359 19637 11269 1 14 . 1 1 164 164 ALA C C 164 174.993 174.993 175.892 -0.899 19637 11270 1 14 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.446 -1.256 19637 11271 1 14 . 1 1 164 164 ALA CB C 164 18.951 18.951 20.995 -2.044 19637 11272 1 14 . 1 1 164 164 ALA H H 164 9.428 9.428 8.821 0.607 19637 11273 1 14 . 1 1 165 165 ASN N N 165 122.214 122.214 125.816 -3.602 19637 11274 1 14 . 1 1 165 165 ASN C C 165 173.047 173.047 173.961 -0.914 19637 11275 1 14 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.874 -1.733 19637 11276 1 14 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.193 -0.137 19637 11277 1 14 . 1 1 165 165 ASN H H 165 9.216 9.216 8.399 0.817 19637 11278 1 14 . 1 1 166 166 TYR N N 166 116.330 116.330 121.685 -5.355 19637 11279 1 14 . 1 1 166 166 TYR C C 166 172.260 172.260 173.729 -1.469 19637 11280 1 14 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.726 -0.329 19637 11281 1 14 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.480 -2.818 19637 11282 1 14 . 1 1 166 166 TYR H H 166 7.816 7.816 8.916 -1.100 19637 11283 1 14 . 1 1 167 167 LYS N N 167 117.734 117.734 125.584 -7.850 19637 11284 1 14 . 1 1 167 167 LYS C C 167 174.760 174.760 174.770 -0.010 19637 11285 1 14 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.119 -1.368 19637 11286 1 14 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.997 0.384 19637 11287 1 14 . 1 1 167 167 LYS H H 167 9.100 9.100 8.784 0.316 19637 11288 1 14 . 1 1 168 168 LEU N N 168 121.623 121.623 127.169 -5.546 19637 11289 1 14 . 1 1 168 168 LEU C C 168 177.877 177.877 177.260 0.617 19637 11290 1 14 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.824 -1.315 19637 11291 1 14 . 1 1 168 168 LEU CB C 168 42.894 42.894 41.969 0.925 19637 11292 1 14 . 1 1 168 168 LEU H H 168 8.372 8.372 8.453 -0.081 19637 11293 1 14 . 1 1 169 169 GLY N N 169 119.264 119.264 112.997 6.267 19637 11294 1 14 . 1 1 169 169 GLY C C 169 175.602 175.602 174.739 0.863 19637 11295 1 14 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.542 1.715 19637 11296 1 14 . 1 1 169 169 GLY H H 169 9.603 9.603 8.452 1.151 19637 11297 1 14 . 1 1 170 170 GLY N N 170 104.659 104.659 107.341 -2.682 19637 11298 1 14 . 1 1 170 170 GLY C C 170 172.570 172.570 173.456 -0.886 19637 11299 1 14 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.792 -0.752 19637 11300 1 14 . 1 1 170 170 GLY H H 170 8.381 8.381 7.972 0.409 19637 11301 1 14 . 1 1 171 171 ALA N N 171 123.570 123.570 122.583 0.987 19637 11302 1 14 . 1 1 171 171 ALA C C 171 177.569 177.569 176.247 1.322 19637 11303 1 14 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.692 -1.799 19637 11304 1 14 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.023 -1.693 19637 11305 1 14 . 1 1 171 171 ALA H H 171 7.650 7.650 7.790 -0.140 19637 11306 1 14 . 1 1 172 172 GLN N N 172 124.057 124.057 122.786 1.271 19637 11307 1 14 . 1 1 172 172 GLN C C 172 174.869 174.869 174.929 -0.060 19637 11308 1 14 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.574 0.444 19637 11309 1 14 . 1 1 172 172 GLN CB C 172 28.173 28.173 27.608 0.565 19637 11310 1 14 . 1 1 172 172 GLN H H 172 8.840 8.840 8.562 0.278 19637 11311 1 14 . 1 1 173 173 GLN N N 173 124.328 124.328 124.879 -0.551 19637 11312 1 14 . 1 1 173 173 GLN C C 173 174.953 174.953 174.051 0.902 19637 11313 1 14 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.134 -1.979 19637 11314 1 14 . 1 1 173 173 GLN CB C 173 29.415 29.415 32.491 -3.076 19637 11315 1 14 . 1 1 173 173 GLN H H 173 9.023 9.023 7.606 1.417 19637 11316 1 14 . 1 1 174 174 HIS N N 174 115.629 115.629 122.617 -6.988 19637 11317 1 14 . 1 1 174 174 HIS C C 174 173.103 173.103 173.887 -0.784 19637 11318 1 14 . 1 1 174 174 HIS CA C 174 53.446 53.446 53.873 -0.427 19637 11319 1 14 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.409 -0.728 19637 11320 1 14 . 1 1 174 174 HIS H H 174 8.227 8.227 8.150 0.077 19637 11321 1 14 . 1 1 175 175 ASP N N 175 120.615 120.615 124.867 -4.252 19637 11322 1 14 . 1 1 175 175 ASP C C 175 175.013 175.013 175.857 -0.844 19637 11323 1 14 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.255 -0.524 19637 11324 1 14 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.216 0.895 19637 11325 1 14 . 1 1 175 175 ASP H H 175 8.964 8.964 8.686 0.278 19637 11326 1 14 . 1 1 176 176 SER N N 176 118.175 118.175 117.388 0.787 19637 11327 1 14 . 1 1 176 176 SER C C 176 173.496 173.496 175.128 -1.632 19637 11328 1 14 . 1 1 176 176 SER CA C 176 57.697 57.697 58.532 -0.835 19637 11329 1 14 . 1 1 176 176 SER CB C 176 62.757 62.757 63.265 -0.508 19637 11330 1 14 . 1 1 176 176 SER H H 176 9.137 9.137 8.557 0.580 19637 11331 1 14 . 1 1 177 177 VAL N N 177 123.737 123.737 127.060 -3.323 19637 11332 1 14 . 1 1 177 177 VAL C C 177 173.398 173.398 176.046 -2.648 19637 11333 1 14 . 1 1 177 177 VAL CA C 177 60.277 60.277 63.032 -2.755 19637 11334 1 14 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.219 0.299 19637 11335 1 14 . 1 1 177 177 VAL H H 177 8.492 8.492 8.280 0.212 19637 11336 1 14 . 1 1 178 178 ARG N N 178 127.628 127.628 125.895 1.733 19637 11337 1 14 . 1 1 178 178 ARG C C 178 175.097 175.097 175.172 -0.075 19637 11338 1 14 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.583 -1.566 19637 11339 1 14 . 1 1 178 178 ARG CB C 178 29.149 29.149 29.773 -0.625 19637 11340 1 14 . 1 1 178 178 ARG H H 178 8.513 8.513 8.458 0.055 19637 11341 1 14 . 1 1 182 182 TRP N N 182 115.616 115.616 119.448 -3.832 19637 11342 1 14 . 1 1 182 182 TRP C C 182 176.613 176.613 174.870 1.743 19637 11343 1 14 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.363 -1.135 19637 11344 1 14 . 1 1 182 182 TRP CB C 182 31.809 31.809 29.813 1.996 19637 11345 1 14 . 1 1 182 182 TRP H H 182 7.491 7.491 7.258 0.233 19637 11346 1 14 . 1 1 183 183 VAL N N 183 121.618 121.618 123.587 -1.969 19637 11347 1 14 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.556 -2.928 19637 11348 1 14 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.224 -1.528 19637 11349 1 14 . 1 1 183 183 VAL H H 183 9.372 9.372 8.873 0.499 19637 11350 1 14 . 1 1 185 185 MET N N 185 129.032 129.032 126.874 2.158 19637 11351 1 14 . 1 1 185 185 MET C C 185 172.186 172.186 174.179 -1.993 19637 11352 1 14 . 1 1 185 185 MET CA C 185 53.091 53.091 54.662 -1.571 19637 11353 1 14 . 1 1 185 185 MET CB C 185 33.405 33.405 35.051 -1.646 19637 11354 1 14 . 1 1 185 185 MET H H 185 9.615 9.615 8.754 0.861 19637 11355 1 14 . 1 1 186 186 PHE N N 186 124.085 124.085 120.963 3.122 19637 11356 1 14 . 1 1 186 186 PHE C C 186 174.816 174.816 173.675 1.141 19637 11357 1 14 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.465 -1.334 19637 11358 1 14 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.065 -0.477 19637 11359 1 14 . 1 1 186 186 PHE H H 186 7.976 7.976 8.347 -0.371 19637 11360 1 14 . 1 1 187 187 SER N N 187 116.369 116.369 117.855 -1.486 19637 11361 1 14 . 1 1 187 187 SER C C 187 171.305 171.305 172.322 -1.017 19637 11362 1 14 . 1 1 187 187 SER CA C 187 57.348 57.348 57.752 -0.404 19637 11363 1 14 . 1 1 187 187 SER CB C 187 66.127 66.127 67.611 -1.484 19637 11364 1 14 . 1 1 187 187 SER H H 187 9.355 9.355 9.269 0.086 19637 11365 1 14 . 1 1 188 188 ALA N N 188 119.248 119.248 121.632 -2.384 19637 11366 1 14 . 1 1 188 188 ALA C C 188 175.996 175.996 175.829 0.167 19637 11367 1 14 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.460 -2.375 19637 11368 1 14 . 1 1 188 188 ALA CB C 188 21.079 21.079 22.273 -1.194 19637 11369 1 14 . 1 1 188 188 ALA H H 188 8.300 8.300 8.327 -0.027 19637 11370 1 14 . 1 1 189 189 GLY N N 189 104.914 104.914 110.174 -5.260 19637 11371 1 14 . 1 1 189 189 GLY C C 189 170.650 170.650 172.110 -1.460 19637 11372 1 14 . 1 1 189 189 GLY CA C 189 44.046 44.046 46.142 -2.096 19637 11373 1 14 . 1 1 189 189 GLY H H 189 9.235 9.235 8.373 0.862 19637 11374 1 14 . 1 1 190 190 TYR N N 190 121.149 121.149 119.713 1.436 19637 11375 1 14 . 1 1 190 190 TYR C C 190 173.608 173.608 173.662 -0.054 19637 11376 1 14 . 1 1 190 190 TYR CA C 190 55.131 55.131 57.657 -2.526 19637 11377 1 14 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.152 0.210 19637 11378 1 14 . 1 1 190 190 TYR H H 190 8.865 8.865 7.910 0.955 19637 11379 1 14 . 1 1 191 191 ARG N N 191 125.697 125.697 121.149 4.548 19637 11380 1 14 . 1 1 191 191 ARG CA C 191 53.529 53.529 53.681 -0.152 19637 11381 1 14 . 1 1 191 191 ARG CB C 191 29.947 29.947 33.319 -3.373 19637 11382 1 14 . 1 1 191 191 ARG H H 191 7.469 7.469 7.479 -0.010 19637 11383 1 15 . 1 1 2 2 HIS N N 2 119.214 119.214 117.949 1.265 19637 11384 1 15 . 1 1 2 2 HIS C C 2 171.081 171.081 172.905 -1.824 19637 11385 1 15 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.711 -3.422 19637 11386 1 15 . 1 1 2 2 HIS CB C 2 23.296 23.296 30.014 -6.718 19637 11387 1 15 . 1 1 2 2 HIS H H 2 8.422 8.422 7.994 0.428 19637 11388 1 15 . 1 1 3 3 GLU N N 3 113.500 113.500 119.220 -5.720 19637 11389 1 15 . 1 1 3 3 GLU C C 3 174.619 174.619 174.915 -0.296 19637 11390 1 15 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.315 -0.652 19637 11391 1 15 . 1 1 3 3 GLU CB C 3 29.415 29.415 32.180 -2.765 19637 11392 1 15 . 1 1 3 3 GLU H H 3 6.642 6.642 7.779 -1.137 19637 11393 1 15 . 1 1 4 4 ALA N N 4 120.680 120.680 122.543 -1.863 19637 11394 1 15 . 1 1 4 4 ALA C C 4 178.439 178.439 178.004 0.435 19637 11395 1 15 . 1 1 4 4 ALA CA C 4 52.376 52.376 54.223 -1.847 19637 11396 1 15 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.812 -1.369 19637 11397 1 15 . 1 1 4 4 ALA H H 4 8.701 8.701 8.414 0.287 19637 11398 1 15 . 1 1 5 5 GLY N N 5 112.786 112.786 110.625 2.161 19637 11399 1 15 . 1 1 5 5 GLY C C 5 173.309 173.309 173.889 -0.580 19637 11400 1 15 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.846 -1.293 19637 11401 1 15 . 1 1 5 5 GLY H H 5 9.294 9.294 8.757 0.537 19637 11402 1 15 . 1 1 6 6 GLU N N 6 121.755 121.755 122.319 -0.564 19637 11403 1 15 . 1 1 6 6 GLU C C 6 173.693 173.693 174.893 -1.200 19637 11404 1 15 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.537 0.481 19637 11405 1 15 . 1 1 6 6 GLU CB C 6 31.188 31.188 29.543 1.645 19637 11406 1 15 . 1 1 6 6 GLU H H 6 7.955 7.955 7.561 0.394 19637 11407 1 15 . 1 1 7 7 PHE N N 7 124.802 124.802 119.581 5.221 19637 11408 1 15 . 1 1 7 7 PHE C C 7 174.039 174.039 174.077 -0.038 19637 11409 1 15 . 1 1 7 7 PHE CA C 7 54.333 54.333 54.551 -0.218 19637 11410 1 15 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.287 0.454 19637 11411 1 15 . 1 1 7 7 PHE H H 7 8.648 8.648 7.304 1.344 19637 11412 1 15 . 1 1 8 8 PHE N N 8 121.132 121.132 119.490 1.642 19637 11413 1 15 . 1 1 8 8 PHE C C 8 171.861 171.861 174.293 -2.432 19637 11414 1 15 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.938 -2.389 19637 11415 1 15 . 1 1 8 8 PHE CB C 8 40.677 40.677 42.901 -2.224 19637 11416 1 15 . 1 1 8 8 PHE H H 8 8.574 8.574 8.818 -0.244 19637 11417 1 15 . 1 1 9 9 MET N N 9 120.391 120.391 121.951 -1.560 19637 11418 1 15 . 1 1 9 9 MET C C 9 174.166 174.166 173.969 0.197 19637 11419 1 15 . 1 1 9 9 MET CA C 9 52.199 52.199 54.959 -2.760 19637 11420 1 15 . 1 1 9 9 MET CB C 9 37.307 37.307 35.537 1.770 19637 11421 1 15 . 1 1 9 9 MET H H 9 8.541 8.541 8.919 -0.378 19637 11422 1 15 . 1 1 10 10 ARG N N 10 117.892 117.892 123.434 -5.542 19637 11423 1 15 . 1 1 10 10 ARG C C 10 175.289 175.289 174.342 0.947 19637 11424 1 15 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.789 -1.343 19637 11425 1 15 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.836 -4.470 19637 11426 1 15 . 1 1 10 10 ARG H H 10 8.357 8.357 8.944 -0.587 19637 11427 1 15 . 1 1 11 11 ALA N N 11 119.664 119.664 122.738 -3.074 19637 11428 1 15 . 1 1 11 11 ALA C C 11 176.057 176.057 177.000 -0.943 19637 11429 1 15 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.917 -1.285 19637 11430 1 15 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.897 1.621 19637 11431 1 15 . 1 1 11 11 ALA H H 11 9.154 9.154 8.647 0.507 19637 11432 1 15 . 1 1 12 12 GLY N N 12 106.262 106.262 106.435 -0.173 19637 11433 1 15 . 1 1 12 12 GLY C C 12 172.068 172.068 173.110 -1.042 19637 11434 1 15 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.648 0.501 19637 11435 1 15 . 1 1 12 12 GLY H H 12 8.655 8.655 8.037 0.618 19637 11436 1 15 . 1 1 13 13 SER N N 13 116.893 116.893 122.551 -5.658 19637 11437 1 15 . 1 1 13 13 SER C C 13 173.604 173.604 172.072 1.532 19637 11438 1 15 . 1 1 13 13 SER CA C 13 56.367 56.367 56.941 -0.574 19637 11439 1 15 . 1 1 13 13 SER CB C 13 64.087 64.087 63.297 0.790 19637 11440 1 15 . 1 1 13 13 SER H H 13 8.644 8.644 7.821 0.823 19637 11441 1 15 . 1 1 14 14 ALA N N 14 125.234 125.234 125.144 0.090 19637 11442 1 15 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.003 -1.376 19637 11443 1 15 . 1 1 14 14 ALA CB C 14 18.330 18.330 21.926 -3.596 19637 11444 1 15 . 1 1 14 14 ALA H H 14 9.120 9.120 7.777 1.343 19637 11445 1 15 . 1 1 15 15 THR N N 15 121.303 121.303 116.765 4.538 19637 11446 1 15 . 1 1 15 15 THR C C 15 175.230 175.230 173.788 1.442 19637 11447 1 15 . 1 1 15 15 THR CA C 15 60.895 60.895 60.218 0.678 19637 11448 1 15 . 1 1 15 15 THR CB C 15 70.029 70.029 70.885 -0.856 19637 11449 1 15 . 1 1 15 15 THR H H 15 9.351 9.351 8.336 1.015 19637 11450 1 15 . 1 1 16 16 VAL N N 16 126.781 126.781 117.699 9.082 19637 11451 1 15 . 1 1 16 16 VAL C C 16 174.432 174.432 174.103 0.329 19637 11452 1 15 . 1 1 16 16 VAL CA C 16 60.806 60.806 60.677 0.129 19637 11453 1 15 . 1 1 16 16 VAL CB C 16 30.922 30.922 34.309 -3.386 19637 11454 1 15 . 1 1 16 16 VAL H H 16 9.110 9.110 8.486 0.624 19637 11455 1 15 . 1 1 17 17 ARG N N 17 129.806 129.806 125.603 4.203 19637 11456 1 15 . 1 1 17 17 ARG C C 17 173.440 173.440 173.728 -0.288 19637 11457 1 15 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.993 -1.586 19637 11458 1 15 . 1 1 17 17 ARG CB C 17 30.302 30.302 32.616 -2.314 19637 11459 1 15 . 1 1 17 17 ARG H H 17 9.325 9.325 8.218 1.107 19637 11460 1 15 . 1 1 19 19 THR N N 19 114.402 114.402 117.911 -3.509 19637 11461 1 15 . 1 1 19 19 THR CA C 19 61.022 61.022 62.585 -1.563 19637 11462 1 15 . 1 1 19 19 THR CB C 19 69.142 69.142 68.496 0.646 19637 11463 1 15 . 1 1 19 19 THR H H 19 8.021 8.021 7.852 0.169 19637 11464 1 15 . 1 1 20 20 GLU N N 20 123.598 123.598 126.529 -2.931 19637 11465 1 15 . 1 1 20 20 GLU C C 20 177.007 177.007 175.614 1.393 19637 11466 1 15 . 1 1 20 20 GLU CA C 20 55.480 55.480 55.187 0.293 19637 11467 1 15 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.326 -2.532 19637 11468 1 15 . 1 1 20 20 GLU H H 20 8.601 8.601 8.352 0.249 19637 11469 1 15 . 1 1 21 21 GLY N N 21 110.237 110.237 110.045 0.192 19637 11470 1 15 . 1 1 21 21 GLY C C 21 174.077 174.077 173.960 0.117 19637 11471 1 15 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.008 -0.347 19637 11472 1 15 . 1 1 21 21 GLY H H 21 8.530 8.530 8.288 0.242 19637 11473 1 15 . 1 1 22 22 ALA N N 22 123.476 123.476 123.506 -0.030 19637 11474 1 15 . 1 1 22 22 ALA C C 22 178.158 178.158 178.060 0.098 19637 11475 1 15 . 1 1 22 22 ALA CA C 22 51.755 51.755 53.855 -2.100 19637 11476 1 15 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.265 -1.487 19637 11477 1 15 . 1 1 22 22 ALA H H 22 8.279 8.279 8.270 0.009 19637 11478 1 15 . 1 1 23 23 GLY N N 23 107.265 107.265 102.545 4.720 19637 11479 1 15 . 1 1 23 23 GLY C C 23 174.727 174.727 175.350 -0.623 19637 11480 1 15 . 1 1 23 23 GLY CA C 23 44.440 44.440 46.123 -1.683 19637 11481 1 15 . 1 1 23 23 GLY H H 23 8.452 8.452 8.667 -0.215 19637 11482 1 15 . 1 1 24 24 GLY N N 24 108.306 108.306 108.303 0.003 19637 11483 1 15 . 1 1 24 24 GLY C C 24 174.786 174.786 175.042 -0.256 19637 11484 1 15 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.811 -0.371 19637 11485 1 15 . 1 1 24 24 GLY H H 24 8.221 8.221 7.875 0.346 19637 11486 1 15 . 1 1 25 25 THR N N 25 114.381 114.381 114.238 0.143 19637 11487 1 15 . 1 1 25 25 THR C C 25 175.170 175.170 175.237 -0.067 19637 11488 1 15 . 1 1 25 25 THR CA C 25 61.599 61.599 61.977 -0.378 19637 11489 1 15 . 1 1 25 25 THR CB C 25 68.521 68.521 68.999 -0.478 19637 11490 1 15 . 1 1 25 25 THR H H 25 8.213 8.213 7.735 0.478 19637 11491 1 15 . 1 1 26 26 LEU N N 26 123.038 123.038 125.615 -2.577 19637 11492 1 15 . 1 1 26 26 LEU C C 26 177.918 177.918 175.659 2.259 19637 11493 1 15 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.371 0.311 19637 11494 1 15 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.167 -1.022 19637 11495 1 15 . 1 1 26 26 LEU H H 26 8.425 8.425 7.897 0.528 19637 11496 1 15 . 1 1 27 27 GLY N N 27 108.786 108.786 109.711 -0.925 19637 11497 1 15 . 1 1 27 27 GLY C C 27 175.023 175.023 173.716 1.307 19637 11498 1 15 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.918 -0.079 19637 11499 1 15 . 1 1 27 27 GLY H H 27 8.260 8.260 7.625 0.635 19637 11500 1 15 . 1 1 28 28 SER N N 28 116.175 116.175 118.890 -2.715 19637 11501 1 15 . 1 1 28 28 SER CA C 28 58.140 58.140 57.410 0.730 19637 11502 1 15 . 1 1 28 28 SER CB C 28 62.846 62.846 64.374 -1.528 19637 11503 1 15 . 1 1 28 28 SER H H 28 8.330 8.330 8.028 0.302 19637 11504 1 15 . 1 1 29 29 LEU N N 29 122.260 122.260 121.362 0.898 19637 11505 1 15 . 1 1 29 29 LEU C C 29 177.512 177.512 179.088 -1.576 19637 11506 1 15 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.276 -0.860 19637 11507 1 15 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.307 -1.985 19637 11508 1 15 . 1 1 29 29 LEU H H 29 8.157 8.157 8.207 -0.050 19637 11509 1 15 . 1 1 30 30 GLY N N 30 107.575 107.575 106.480 1.095 19637 11510 1 15 . 1 1 30 30 GLY C C 30 174.225 174.225 175.023 -0.798 19637 11511 1 15 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.553 -0.025 19637 11512 1 15 . 1 1 30 30 GLY H H 30 8.144 8.144 8.737 -0.593 19637 11513 1 15 . 1 1 31 31 GLY N N 31 107.996 107.996 106.059 1.937 19637 11514 1 15 . 1 1 31 31 GLY C C 31 173.664 173.664 174.543 -0.879 19637 11515 1 15 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.628 -0.410 19637 11516 1 15 . 1 1 31 31 GLY H H 31 8.044 8.044 8.083 -0.039 19637 11517 1 15 . 1 1 32 32 PHE N N 32 119.248 119.248 123.014 -3.766 19637 11518 1 15 . 1 1 32 32 PHE C C 32 175.495 175.495 174.927 0.568 19637 11519 1 15 . 1 1 32 32 PHE CA C 32 56.373 56.373 58.460 -2.087 19637 11520 1 15 . 1 1 32 32 PHE CB C 32 39.258 39.258 39.575 -0.318 19637 11521 1 15 . 1 1 32 32 PHE H H 32 8.181 8.181 8.040 0.141 19637 11522 1 15 . 1 1 33 33 SER N N 33 117.720 117.720 120.608 -2.888 19637 11523 1 15 . 1 1 33 33 SER C C 33 173.368 173.368 173.742 -0.374 19637 11524 1 15 . 1 1 33 33 SER CA C 33 55.746 55.746 57.652 -1.906 19637 11525 1 15 . 1 1 33 33 SER CB C 33 64.265 64.265 63.682 0.583 19637 11526 1 15 . 1 1 33 33 SER H H 33 8.771 8.771 8.445 0.326 19637 11527 1 15 . 1 1 34 34 VAL N N 34 123.007 123.007 122.140 0.867 19637 11528 1 15 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.556 -2.130 19637 11529 1 15 . 1 1 34 34 VAL CB C 34 32.785 32.785 32.503 0.282 19637 11530 1 15 . 1 1 34 34 VAL H H 34 8.525 8.525 8.029 0.496 19637 11531 1 15 . 1 1 35 35 THR N N 35 115.459 115.459 120.301 -4.842 19637 11532 1 15 . 1 1 35 35 THR CA C 35 61.200 61.200 62.117 -0.917 19637 11533 1 15 . 1 1 35 35 THR CB C 35 69.851 69.851 69.373 0.478 19637 11534 1 15 . 1 1 35 35 THR H H 35 8.147 8.147 8.374 -0.227 19637 11535 1 15 . 1 1 36 36 ASN N N 36 118.274 118.274 125.231 -6.957 19637 11536 1 15 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.734 -1.327 19637 11537 1 15 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.591 -1.486 19637 11538 1 15 . 1 1 36 36 ASN H H 36 8.719 8.719 8.475 0.244 19637 11539 1 15 . 1 1 37 37 ASN N N 37 115.657 115.657 118.099 -2.442 19637 11540 1 15 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.510 2.355 19637 11541 1 15 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.275 4.037 19637 11542 1 15 . 1 1 37 37 ASN H H 37 8.432 8.432 8.557 -0.125 19637 11543 1 15 . 1 1 38 38 THR N N 38 122.444 122.444 115.568 6.876 19637 11544 1 15 . 1 1 38 38 THR CA C 38 61.288 61.288 60.912 0.376 19637 11545 1 15 . 1 1 38 38 THR CB C 38 69.142 69.142 69.585 -0.443 19637 11546 1 15 . 1 1 38 38 THR H H 38 8.095 8.095 8.479 -0.384 19637 11547 1 15 . 1 1 40 40 LEU N N 40 120.457 120.457 123.111 -2.654 19637 11548 1 15 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.249 0.078 19637 11549 1 15 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.340 -1.122 19637 11550 1 15 . 1 1 40 40 LEU H H 40 6.902 6.902 8.252 -1.350 19637 11551 1 15 . 1 1 41 41 GLY N N 41 111.223 111.223 107.602 3.621 19637 11552 1 15 . 1 1 41 41 GLY C C 41 171.034 171.034 172.355 -1.321 19637 11553 1 15 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.506 -0.663 19637 11554 1 15 . 1 1 41 41 GLY H H 41 8.978 8.978 8.084 0.894 19637 11555 1 15 . 1 1 42 42 LEU N N 42 122.123 122.123 118.979 3.144 19637 11556 1 15 . 1 1 42 42 LEU C C 42 175.350 175.350 174.078 1.272 19637 11557 1 15 . 1 1 42 42 LEU CA C 42 52.155 52.155 55.012 -2.857 19637 11558 1 15 . 1 1 42 42 LEU CB C 42 45.377 45.377 46.715 -1.338 19637 11559 1 15 . 1 1 42 42 LEU H H 42 8.679 8.679 8.475 0.204 19637 11560 1 15 . 1 1 43 43 THR N N 43 109.917 109.917 116.797 -6.880 19637 11561 1 15 . 1 1 43 43 THR C C 43 173.516 173.516 172.451 1.065 19637 11562 1 15 . 1 1 43 43 THR CA C 43 58.057 58.057 59.880 -1.823 19637 11563 1 15 . 1 1 43 43 THR CB C 43 70.029 70.029 70.691 -0.662 19637 11564 1 15 . 1 1 43 43 THR H H 43 8.792 8.792 8.566 0.226 19637 11565 1 15 . 1 1 44 44 PHE N N 44 118.699 118.699 124.769 -6.070 19637 11566 1 15 . 1 1 44 44 PHE C C 44 173.917 173.917 174.962 -1.045 19637 11567 1 15 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.767 -0.287 19637 11568 1 15 . 1 1 44 44 PHE CB C 44 40.765 40.765 43.394 -2.629 19637 11569 1 15 . 1 1 44 44 PHE H H 44 8.566 8.566 8.869 -0.303 19637 11570 1 15 . 1 1 45 45 THR N N 45 118.229 118.229 115.192 3.037 19637 11571 1 15 . 1 1 45 45 THR C C 45 170.886 170.886 173.428 -2.542 19637 11572 1 15 . 1 1 45 45 THR CA C 45 60.097 60.097 61.434 -1.337 19637 11573 1 15 . 1 1 45 45 THR CB C 45 68.433 68.433 71.915 -3.482 19637 11574 1 15 . 1 1 45 45 THR H H 45 7.903 7.903 9.200 -1.297 19637 11575 1 15 . 1 1 46 46 TYR N N 46 124.450 124.450 125.901 -1.451 19637 11576 1 15 . 1 1 46 46 TYR C C 46 174.254 174.254 174.109 0.145 19637 11577 1 15 . 1 1 46 46 TYR CA C 46 54.150 54.150 57.672 -3.522 19637 11578 1 15 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.596 0.677 19637 11579 1 15 . 1 1 46 46 TYR H H 46 8.941 8.941 9.470 -0.529 19637 11580 1 15 . 1 1 47 47 MET N N 47 123.598 123.598 126.197 -2.599 19637 11581 1 15 . 1 1 47 47 MET C C 47 175.082 175.082 175.564 -0.482 19637 11582 1 15 . 1 1 47 47 MET CA C 47 50.425 50.425 56.515 -6.090 19637 11583 1 15 . 1 1 47 47 MET CB C 47 26.222 26.222 33.880 -7.658 19637 11584 1 15 . 1 1 47 47 MET H H 47 7.798 7.798 9.241 -1.443 19637 11585 1 15 . 1 1 48 48 ALA N N 48 129.975 129.975 129.119 0.856 19637 11586 1 15 . 1 1 48 48 ALA C C 48 178.568 178.568 176.828 1.740 19637 11587 1 15 . 1 1 48 48 ALA CA C 48 53.305 53.305 52.277 1.028 19637 11588 1 15 . 1 1 48 48 ALA CB C 48 17.712 17.712 20.019 -2.307 19637 11589 1 15 . 1 1 48 48 ALA H H 48 8.717 8.717 8.999 -0.282 19637 11590 1 15 . 1 1 49 49 THR N N 49 106.011 106.011 112.448 -6.437 19637 11591 1 15 . 1 1 49 49 THR C C 49 171.950 171.950 172.699 -0.749 19637 11592 1 15 . 1 1 49 49 THR CA C 49 57.786 57.786 61.207 -3.421 19637 11593 1 15 . 1 1 49 49 THR CB C 49 70.535 70.535 69.934 0.601 19637 11594 1 15 . 1 1 49 49 THR H H 49 8.072 8.072 7.754 0.318 19637 11595 1 15 . 1 1 50 50 ASP N N 50 114.062 114.062 121.512 -7.450 19637 11596 1 15 . 1 1 50 50 ASP C C 50 175.318 175.318 175.941 -0.623 19637 11597 1 15 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.722 0.054 19637 11598 1 15 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.410 -0.620 19637 11599 1 15 . 1 1 50 50 ASP H H 50 8.390 8.390 8.825 -0.435 19637 11600 1 15 . 1 1 51 51 ASN N N 51 111.850 111.850 113.095 -1.245 19637 11601 1 15 . 1 1 51 51 ASN C C 51 171.684 171.684 173.675 -1.991 19637 11602 1 15 . 1 1 51 51 ASN CA C 51 54.416 54.416 53.651 0.765 19637 11603 1 15 . 1 1 51 51 ASN CB C 51 40.233 40.233 39.078 1.155 19637 11604 1 15 . 1 1 51 51 ASN H H 51 7.887 7.887 8.308 -0.421 19637 11605 1 15 . 1 1 52 52 ILE N N 52 118.929 118.929 120.448 -1.519 19637 11606 1 15 . 1 1 52 52 ILE C C 52 175.495 175.495 175.486 0.009 19637 11607 1 15 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.942 -1.294 19637 11608 1 15 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.410 -2.926 19637 11609 1 15 . 1 1 52 52 ILE H H 52 7.707 7.707 7.776 -0.069 19637 11610 1 15 . 1 1 53 53 GLY N N 53 114.998 114.998 112.351 2.647 19637 11611 1 15 . 1 1 53 53 GLY C C 53 171.536 171.536 172.168 -0.632 19637 11612 1 15 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.827 -1.895 19637 11613 1 15 . 1 1 53 53 GLY H H 53 8.678 8.678 8.954 -0.276 19637 11614 1 15 . 1 1 54 54 VAL N N 54 118.327 118.327 119.560 -1.233 19637 11615 1 15 . 1 1 54 54 VAL C C 54 173.309 173.309 174.672 -1.363 19637 11616 1 15 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.772 -2.124 19637 11617 1 15 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.738 -0.865 19637 11618 1 15 . 1 1 54 54 VAL H H 54 8.734 8.734 8.919 -0.185 19637 11619 1 15 . 1 1 55 55 GLU N N 55 126.907 126.907 126.273 0.634 19637 11620 1 15 . 1 1 55 55 GLU C C 55 173.575 173.575 174.650 -1.075 19637 11621 1 15 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.826 -1.557 19637 11622 1 15 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.983 1.744 19637 11623 1 15 . 1 1 55 55 GLU H H 55 9.084 9.084 9.326 -0.242 19637 11624 1 15 . 1 1 56 56 LEU N N 56 126.739 126.739 125.520 1.219 19637 11625 1 15 . 1 1 56 56 LEU C C 56 174.786 174.786 174.504 0.282 19637 11626 1 15 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.737 -1.804 19637 11627 1 15 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.361 -0.339 19637 11628 1 15 . 1 1 56 56 LEU H H 56 9.168 9.168 9.164 0.004 19637 11629 1 15 . 1 1 57 57 LEU N N 57 127.189 127.189 127.277 -0.088 19637 11630 1 15 . 1 1 57 57 LEU C C 57 174.579 174.579 174.340 0.239 19637 11631 1 15 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.934 -0.842 19637 11632 1 15 . 1 1 57 57 LEU CB C 57 43.160 43.160 43.979 -0.819 19637 11633 1 15 . 1 1 57 57 LEU H H 57 9.174 9.174 8.822 0.352 19637 11634 1 15 . 1 1 58 58 ALA N N 58 125.061 125.061 128.276 -3.215 19637 11635 1 15 . 1 1 58 58 ALA C C 58 172.925 172.925 175.298 -2.373 19637 11636 1 15 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.591 -1.667 19637 11637 1 15 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.036 -0.957 19637 11638 1 15 . 1 1 58 58 ALA H H 58 9.435 9.435 8.624 0.811 19637 11639 1 15 . 1 1 59 59 ALA N N 59 116.911 116.911 122.976 -6.065 19637 11640 1 15 . 1 1 59 59 ALA C C 59 176.248 176.248 176.087 0.161 19637 11641 1 15 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.511 -1.440 19637 11642 1 15 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.445 -0.786 19637 11643 1 15 . 1 1 59 59 ALA H H 59 6.833 6.833 8.022 -1.189 19637 11644 1 15 . 1 1 60 60 THR N N 60 105.771 105.771 115.866 -10.095 19637 11645 1 15 . 1 1 60 60 THR C C 60 170.975 170.975 174.043 -3.068 19637 11646 1 15 . 1 1 60 60 THR CA C 60 59.515 59.515 61.324 -1.809 19637 11647 1 15 . 1 1 60 60 THR CB C 60 63.487 63.487 68.961 -5.474 19637 11648 1 15 . 1 1 60 60 THR H H 60 7.718 7.718 8.355 -0.637 19637 11649 1 15 . 1 1 62 62 PHE N N 62 122.473 122.473 115.397 7.076 19637 11650 1 15 . 1 1 62 62 PHE C C 62 174.934 174.934 175.685 -0.751 19637 11651 1 15 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.909 -1.188 19637 11652 1 15 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.269 0.344 19637 11653 1 15 . 1 1 62 62 PHE H H 62 8.251 8.251 8.364 -0.113 19637 11654 1 15 . 1 1 63 63 ARG N N 63 118.016 118.016 124.197 -6.181 19637 11655 1 15 . 1 1 63 63 ARG C C 63 174.423 174.423 174.259 0.164 19637 11656 1 15 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.361 -2.713 19637 11657 1 15 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.495 -0.597 19637 11658 1 15 . 1 1 63 63 ARG H H 63 7.378 7.378 8.740 -1.362 19637 11659 1 15 . 1 1 64 64 HIS N N 64 120.040 120.040 123.251 -3.211 19637 11660 1 15 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.261 -3.308 19637 11661 1 15 . 1 1 64 64 HIS H H 64 8.588 8.588 8.595 -0.007 19637 11662 1 15 . 1 1 66 66 ILE N N 66 122.668 122.668 124.067 -1.399 19637 11663 1 15 . 1 1 66 66 ILE C C 66 175.141 175.141 172.941 2.200 19637 11664 1 15 . 1 1 66 66 ILE CA C 66 57.963 57.963 61.145 -3.182 19637 11665 1 15 . 1 1 66 66 ILE CB C 66 38.637 38.637 41.488 -2.851 19637 11666 1 15 . 1 1 66 66 ILE H H 66 8.726 8.726 8.326 0.400 19637 11667 1 15 . 1 1 67 67 GLY N N 67 114.948 114.948 113.873 1.075 19637 11668 1 15 . 1 1 67 67 GLY C C 67 172.570 172.570 174.069 -1.499 19637 11669 1 15 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.154 -1.025 19637 11670 1 15 . 1 1 67 67 GLY H H 67 8.780 8.780 8.577 0.203 19637 11671 1 15 . 1 1 68 68 THR N N 68 106.079 106.079 113.925 -7.846 19637 11672 1 15 . 1 1 68 68 THR C C 68 175.574 175.574 175.192 0.382 19637 11673 1 15 . 1 1 68 68 THR CA C 68 58.672 58.672 61.347 -2.675 19637 11674 1 15 . 1 1 68 68 THR CB C 68 71.270 71.270 69.909 1.361 19637 11675 1 15 . 1 1 68 68 THR H H 68 7.431 7.431 7.837 -0.406 19637 11676 1 15 . 1 1 69 69 ARG N N 69 122.303 122.303 121.213 1.090 19637 11677 1 15 . 1 1 69 69 ARG C C 69 178.298 178.298 177.694 0.604 19637 11678 1 15 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.715 -0.486 19637 11679 1 15 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.043 -1.870 19637 11680 1 15 . 1 1 69 69 ARG H H 69 8.783 8.783 8.821 -0.038 19637 11681 1 15 . 1 1 70 70 ALA N N 70 117.681 117.681 121.514 -3.833 19637 11682 1 15 . 1 1 70 70 ALA C C 70 179.281 179.281 178.861 0.420 19637 11683 1 15 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.247 -0.978 19637 11684 1 15 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.838 -0.863 19637 11685 1 15 . 1 1 70 70 ALA H H 70 8.262 8.262 7.772 0.490 19637 11686 1 15 . 1 1 71 71 THR N N 71 105.486 105.486 110.468 -4.982 19637 11687 1 15 . 1 1 71 71 THR C C 71 176.136 176.136 175.807 0.329 19637 11688 1 15 . 1 1 71 71 THR CA C 71 60.895 60.895 62.558 -1.663 19637 11689 1 15 . 1 1 71 71 THR CB C 71 70.383 70.383 69.805 0.578 19637 11690 1 15 . 1 1 71 71 THR H H 71 7.473 7.473 7.610 -0.137 19637 11691 1 15 . 1 1 72 72 GLY N N 72 111.099 111.099 112.172 -1.073 19637 11692 1 15 . 1 1 72 72 GLY C C 72 175.052 175.052 174.580 0.472 19637 11693 1 15 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.749 -1.704 19637 11694 1 15 . 1 1 72 72 GLY H H 72 8.194 8.194 7.866 0.328 19637 11695 1 15 . 1 1 73 73 ASP N N 73 121.919 121.919 120.170 1.749 19637 11696 1 15 . 1 1 73 73 ASP C C 73 177.889 177.889 177.142 0.747 19637 11697 1 15 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.356 -1.314 19637 11698 1 15 . 1 1 73 73 ASP CB C 73 39.524 39.524 41.575 -2.051 19637 11699 1 15 . 1 1 73 73 ASP H H 73 8.668 8.668 8.392 0.276 19637 11700 1 15 . 1 1 74 74 ILE N N 74 117.113 117.113 117.232 -0.119 19637 11701 1 15 . 1 1 74 74 ILE C C 74 175.013 175.013 173.815 1.198 19637 11702 1 15 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.207 -1.293 19637 11703 1 15 . 1 1 74 74 ILE CB C 74 41.297 41.297 34.701 6.596 19637 11704 1 15 . 1 1 74 74 ILE H H 74 9.327 9.327 7.740 1.587 19637 11705 1 15 . 1 1 75 75 ALA N N 75 121.329 121.329 122.067 -0.738 19637 11706 1 15 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.682 -0.257 19637 11707 1 15 . 1 1 75 75 ALA CB C 75 21.523 21.523 22.329 -0.806 19637 11708 1 15 . 1 1 75 75 ALA H H 75 8.086 8.086 7.298 0.788 19637 11709 1 15 . 1 1 76 76 THR N N 76 116.168 116.168 116.972 -0.804 19637 11710 1 15 . 1 1 76 76 THR C C 76 173.043 173.043 173.733 -0.690 19637 11711 1 15 . 1 1 76 76 THR CA C 76 60.540 60.540 60.611 -0.071 19637 11712 1 15 . 1 1 76 76 THR CB C 76 69.674 69.674 70.397 -0.723 19637 11713 1 15 . 1 1 76 76 THR H H 76 8.539 8.539 7.968 0.571 19637 11714 1 15 . 1 1 77 77 VAL N N 77 117.996 117.996 119.139 -1.143 19637 11715 1 15 . 1 1 77 77 VAL C C 77 174.964 174.964 174.986 -0.022 19637 11716 1 15 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.557 -3.209 19637 11717 1 15 . 1 1 77 77 VAL CB C 77 34.026 34.026 35.319 -1.293 19637 11718 1 15 . 1 1 77 77 VAL H H 77 8.578 8.578 8.170 0.408 19637 11719 1 15 . 1 1 78 78 HIS N N 78 116.541 116.541 124.986 -8.445 19637 11720 1 15 . 1 1 78 78 HIS C C 78 173.634 173.634 173.356 0.278 19637 11721 1 15 . 1 1 78 78 HIS CA C 78 52.825 52.825 53.743 -0.918 19637 11722 1 15 . 1 1 78 78 HIS CB C 78 29.947 29.947 30.514 -0.567 19637 11723 1 15 . 1 1 78 78 HIS H H 78 7.822 7.822 8.245 -0.423 19637 11724 1 15 . 1 1 79 79 HIS N N 79 113.176 113.176 118.573 -5.397 19637 11725 1 15 . 1 1 79 79 HIS C C 79 173.841 173.841 172.243 1.598 19637 11726 1 15 . 1 1 79 79 HIS CA C 79 54.416 54.416 55.448 -1.032 19637 11727 1 15 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.361 2.665 19637 11728 1 15 . 1 1 79 79 HIS H H 79 7.912 7.912 8.716 -0.804 19637 11729 1 15 . 1 1 80 80 LEU N N 80 118.153 118.153 123.076 -4.923 19637 11730 1 15 . 1 1 80 80 LEU C C 80 177.821 177.821 176.227 1.594 19637 11731 1 15 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.005 -0.846 19637 11732 1 15 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.261 3.002 19637 11733 1 15 . 1 1 80 80 LEU H H 80 8.205 8.205 8.622 -0.417 19637 11734 1 15 . 1 1 83 83 THR N N 83 115.326 115.326 109.488 5.838 19637 11735 1 15 . 1 1 83 83 THR C C 83 171.362 171.362 173.080 -1.718 19637 11736 1 15 . 1 1 83 83 THR CA C 83 60.540 60.540 60.640 -0.100 19637 11737 1 15 . 1 1 83 83 THR CB C 83 72.068 72.068 72.398 -0.330 19637 11738 1 15 . 1 1 83 83 THR H H 83 7.688 7.688 8.569 -0.881 19637 11739 1 15 . 1 1 84 84 LEU N N 84 129.848 129.848 119.551 10.297 19637 11740 1 15 . 1 1 84 84 LEU C C 84 174.373 174.373 174.798 -0.425 19637 11741 1 15 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.241 -1.820 19637 11742 1 15 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.907 -0.151 19637 11743 1 15 . 1 1 84 84 LEU H H 84 9.013 9.013 8.753 0.260 19637 11744 1 15 . 1 1 85 85 MET N N 85 121.374 121.374 121.437 -0.063 19637 11745 1 15 . 1 1 85 85 MET C C 85 175.407 175.407 173.979 1.428 19637 11746 1 15 . 1 1 85 85 MET CA C 85 52.421 52.421 54.531 -2.110 19637 11747 1 15 . 1 1 85 85 MET CB C 85 34.558 34.558 37.849 -3.291 19637 11748 1 15 . 1 1 85 85 MET H H 85 9.823 9.823 9.066 0.757 19637 11749 1 15 . 1 1 86 86 ALA N N 86 123.689 123.689 120.054 3.635 19637 11750 1 15 . 1 1 86 86 ALA C C 86 176.205 176.205 174.777 1.428 19637 11751 1 15 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.646 -1.841 19637 11752 1 15 . 1 1 86 86 ALA CB C 86 18.951 18.951 22.436 -3.485 19637 11753 1 15 . 1 1 86 86 ALA H H 86 9.080 9.080 8.082 0.998 19637 11754 1 15 . 1 1 87 87 GLN N N 87 116.548 116.548 116.416 0.132 19637 11755 1 15 . 1 1 87 87 GLN C C 87 175.495 175.495 173.174 2.321 19637 11756 1 15 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.957 -1.599 19637 11757 1 15 . 1 1 87 87 GLN CB C 87 34.292 34.292 33.836 0.456 19637 11758 1 15 . 1 1 87 87 GLN H H 87 9.061 9.061 8.783 0.278 19637 11759 1 15 . 1 1 88 88 TRP N N 88 119.609 119.609 118.149 1.460 19637 11760 1 15 . 1 1 88 88 TRP C C 88 174.727 174.727 173.443 1.284 19637 11761 1 15 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.459 -1.505 19637 11762 1 15 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.035 -2.556 19637 11763 1 15 . 1 1 88 88 TRP H H 88 8.893 8.893 8.391 0.502 19637 11764 1 15 . 1 1 89 89 TYR N N 89 124.849 124.849 119.067 5.782 19637 11765 1 15 . 1 1 89 89 TYR C C 89 176.382 176.382 173.817 2.565 19637 11766 1 15 . 1 1 89 89 TYR CA C 89 55.042 55.042 57.434 -2.392 19637 11767 1 15 . 1 1 89 89 TYR H H 89 8.815 8.815 8.315 0.500 19637 11768 1 15 . 1 1 90 90 PHE N N 90 122.137 122.137 120.667 1.470 19637 11769 1 15 . 1 1 90 90 PHE C C 90 176.304 176.304 175.980 0.324 19637 11770 1 15 . 1 1 90 90 PHE CA C 90 57.821 57.821 59.942 -2.121 19637 11771 1 15 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.540 -1.080 19637 11772 1 15 . 1 1 90 90 PHE H H 90 9.171 9.171 8.652 0.519 19637 11773 1 15 . 1 1 91 91 GLY N N 91 108.961 108.961 113.368 -4.407 19637 11774 1 15 . 1 1 91 91 GLY C C 91 172.748 172.748 173.438 -0.690 19637 11775 1 15 . 1 1 91 91 GLY CA C 91 44.331 44.331 44.929 -0.598 19637 11776 1 15 . 1 1 91 91 GLY H H 91 9.342 9.342 8.343 0.999 19637 11777 1 15 . 1 1 92 92 ASP N N 92 119.869 119.869 123.383 -3.514 19637 11778 1 15 . 1 1 92 92 ASP C C 92 175.968 175.968 175.514 0.454 19637 11779 1 15 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.759 -3.137 19637 11780 1 15 . 1 1 92 92 ASP CB C 92 41.563 41.563 40.378 1.185 19637 11781 1 15 . 1 1 92 92 ASP H H 92 8.612 8.612 8.567 0.045 19637 11782 1 15 . 1 1 93 93 ALA N N 93 117.665 117.665 123.060 -5.395 19637 11783 1 15 . 1 1 93 93 ALA C C 93 178.748 178.748 177.012 1.736 19637 11784 1 15 . 1 1 93 93 ALA CA C 93 53.180 53.180 53.100 0.080 19637 11785 1 15 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.425 -2.514 19637 11786 1 15 . 1 1 93 93 ALA H H 93 8.673 8.673 8.353 0.320 19637 11787 1 15 . 1 1 94 94 SER N N 94 115.062 115.062 115.564 -0.502 19637 11788 1 15 . 1 1 94 94 SER C C 94 175.348 175.348 173.923 1.425 19637 11789 1 15 . 1 1 94 94 SER CA C 94 58.185 58.185 57.798 0.387 19637 11790 1 15 . 1 1 94 94 SER CB C 94 62.757 62.757 63.220 -0.463 19637 11791 1 15 . 1 1 94 94 SER H H 94 8.902 8.902 8.390 0.512 19637 11792 1 15 . 1 1 95 95 SER N N 95 120.754 120.754 113.250 7.504 19637 11793 1 15 . 1 1 95 95 SER CA C 95 58.451 58.451 59.008 -0.557 19637 11794 1 15 . 1 1 95 95 SER CB C 95 62.580 62.580 63.351 -0.771 19637 11795 1 15 . 1 1 95 95 SER H H 95 7.922 7.922 7.805 0.117 19637 11796 1 15 . 1 1 96 96 LYS N N 96 120.924 120.924 117.187 3.737 19637 11797 1 15 . 1 1 96 96 LYS CA C 96 54.599 54.599 58.605 -4.006 19637 11798 1 15 . 1 1 96 96 LYS CB C 96 31.366 31.366 31.406 -0.040 19637 11799 1 15 . 1 1 96 96 LYS H H 96 8.555 8.555 8.313 0.242 19637 11800 1 15 . 1 1 97 97 PHE N N 97 117.773 117.773 118.374 -0.601 19637 11801 1 15 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.092 -1.404 19637 11802 1 15 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.417 -0.095 19637 11803 1 15 . 1 1 97 97 PHE H H 97 7.596 7.596 7.277 0.319 19637 11804 1 15 . 1 1 98 98 ARG N N 98 120.982 120.982 121.376 -0.394 19637 11805 1 15 . 1 1 98 98 ARG C C 98 173.047 173.047 174.518 -1.471 19637 11806 1 15 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.805 -0.334 19637 11807 1 15 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.244 1.388 19637 11808 1 15 . 1 1 98 98 ARG H H 98 8.823 8.823 8.861 -0.038 19637 11809 1 15 . 1 1 100 100 TYR N N 100 117.775 117.775 116.265 1.510 19637 11810 1 15 . 1 1 100 100 TYR C C 100 173.047 173.047 173.487 -0.440 19637 11811 1 15 . 1 1 100 100 TYR CA C 100 54.954 54.954 58.393 -3.439 19637 11812 1 15 . 1 1 100 100 TYR CB C 100 39.524 39.524 41.216 -1.692 19637 11813 1 15 . 1 1 100 100 TYR H H 100 8.885 8.885 8.652 0.233 19637 11814 1 15 . 1 1 101 101 VAL N N 101 111.744 111.744 120.669 -8.925 19637 11815 1 15 . 1 1 101 101 VAL C C 101 173.457 173.457 173.684 -0.227 19637 11816 1 15 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.449 -2.344 19637 11817 1 15 . 1 1 101 101 VAL CB C 101 34.381 34.381 33.972 0.409 19637 11818 1 15 . 1 1 101 101 VAL H H 101 8.365 8.365 7.961 0.404 19637 11819 1 15 . 1 1 102 102 GLY N N 102 108.300 108.300 113.459 -5.159 19637 11820 1 15 . 1 1 102 102 GLY C C 102 171.241 171.241 172.160 -0.919 19637 11821 1 15 . 1 1 102 102 GLY CA C 102 44.972 44.972 45.163 -0.192 19637 11822 1 15 . 1 1 102 102 GLY H H 102 8.271 8.271 8.615 -0.344 19637 11823 1 15 . 1 1 103 103 ALA N N 103 120.836 120.836 122.107 -1.271 19637 11824 1 15 . 1 1 103 103 ALA C C 103 175.614 175.614 175.243 0.371 19637 11825 1 15 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.169 -0.336 19637 11826 1 15 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.305 -0.587 19637 11827 1 15 . 1 1 103 103 ALA H H 103 9.048 9.048 8.168 0.880 19637 11828 1 15 . 1 1 104 104 GLY N N 104 107.477 107.477 107.488 -0.011 19637 11829 1 15 . 1 1 104 104 GLY C C 104 171.832 171.832 172.572 -0.740 19637 11830 1 15 . 1 1 104 104 GLY CA C 104 46.479 46.479 43.752 2.727 19637 11831 1 15 . 1 1 104 104 GLY H H 104 8.661 8.661 8.364 0.297 19637 11832 1 15 . 1 1 105 105 ILE N N 105 118.575 118.575 123.764 -5.189 19637 11833 1 15 . 1 1 105 105 ILE C C 105 172.275 172.275 174.600 -2.325 19637 11834 1 15 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.698 -3.350 19637 11835 1 15 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.387 1.265 19637 11836 1 15 . 1 1 105 105 ILE H H 105 9.020 9.020 8.583 0.437 19637 11837 1 15 . 1 1 106 106 ASN N N 106 123.879 123.879 126.104 -2.225 19637 11838 1 15 . 1 1 106 106 ASN C C 106 171.418 171.418 173.702 -2.284 19637 11839 1 15 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.235 -0.651 19637 11840 1 15 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.767 0.087 19637 11841 1 15 . 1 1 106 106 ASN H H 106 9.659 9.659 8.769 0.890 19637 11842 1 15 . 1 1 107 107 TYR N N 107 125.744 125.744 127.525 -1.781 19637 11843 1 15 . 1 1 107 107 TYR C C 107 173.073 173.073 175.456 -2.383 19637 11844 1 15 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.443 -2.939 19637 11845 1 15 . 1 1 107 107 TYR CB C 107 40.854 40.854 40.696 0.158 19637 11846 1 15 . 1 1 107 107 TYR H H 107 8.273 8.273 8.639 -0.366 19637 11847 1 15 . 1 1 108 108 THR N N 108 119.337 119.337 121.415 -2.078 19637 11848 1 15 . 1 1 108 108 THR C C 108 172.457 172.457 173.722 -1.265 19637 11849 1 15 . 1 1 108 108 THR CA C 108 60.452 60.452 60.816 -0.363 19637 11850 1 15 . 1 1 108 108 THR CB C 108 69.319 69.319 69.757 -0.438 19637 11851 1 15 . 1 1 108 108 THR H H 108 8.446 8.446 8.795 -0.349 19637 11852 1 15 . 1 1 109 109 THR N N 109 118.655 118.655 119.220 -0.565 19637 11853 1 15 . 1 1 109 109 THR C C 109 171.625 171.625 174.002 -2.377 19637 11854 1 15 . 1 1 109 109 THR CA C 109 56.810 56.810 60.766 -3.956 19637 11855 1 15 . 1 1 109 109 THR H H 109 7.548 7.548 8.252 -0.704 19637 11856 1 15 . 1 1 112 112 ASP N N 112 116.796 116.796 118.577 -1.781 19637 11857 1 15 . 1 1 112 112 ASP C C 112 175.490 175.490 173.553 1.937 19637 11858 1 15 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.156 0.728 19637 11859 1 15 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.264 -4.602 19637 11860 1 15 . 1 1 112 112 ASP H H 112 8.995 8.995 8.186 0.809 19637 11861 1 15 . 1 1 113 113 ASN N N 113 117.801 117.801 119.296 -1.495 19637 11862 1 15 . 1 1 113 113 ASN C C 113 175.702 175.702 173.667 2.035 19637 11863 1 15 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.286 -1.550 19637 11864 1 15 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.707 -1.359 19637 11865 1 15 . 1 1 113 113 ASN H H 113 8.410 8.410 8.360 0.050 19637 11866 1 15 . 1 1 114 114 GLY N N 114 107.744 107.744 105.232 2.512 19637 11867 1 15 . 1 1 114 114 GLY C C 114 171.979 171.979 173.786 -1.807 19637 11868 1 15 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.866 -0.072 19637 11869 1 15 . 1 1 114 114 GLY H H 114 8.557 8.557 7.807 0.750 19637 11870 1 15 . 1 1 115 115 PHE N N 115 119.554 119.554 120.310 -0.756 19637 11871 1 15 . 1 1 115 115 PHE C C 115 176.192 176.192 175.570 0.622 19637 11872 1 15 . 1 1 115 115 PHE CA C 115 57.490 57.490 63.604 -6.114 19637 11873 1 15 . 1 1 115 115 PHE CB C 115 39.081 39.081 39.969 -0.888 19637 11874 1 15 . 1 1 115 115 PHE H H 115 8.607 8.607 8.391 0.216 19637 11875 1 15 . 1 1 116 116 ASN N N 116 120.356 120.356 111.479 8.877 19637 11876 1 15 . 1 1 116 116 ASN C C 116 175.407 175.407 175.287 0.120 19637 11877 1 15 . 1 1 116 116 ASN CA C 116 50.071 50.071 53.078 -3.007 19637 11878 1 15 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.064 -3.023 19637 11879 1 15 . 1 1 116 116 ASN H H 116 8.240 8.240 7.917 0.323 19637 11880 1 15 . 1 1 117 117 ASP N N 117 117.610 117.610 120.441 -2.831 19637 11881 1 15 . 1 1 117 117 ASP C C 117 178.298 178.298 178.292 0.006 19637 11882 1 15 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.968 -0.620 19637 11883 1 15 . 1 1 117 117 ASP CB C 117 38.548 38.548 41.020 -2.472 19637 11884 1 15 . 1 1 117 117 ASP H H 117 8.460 8.460 8.718 -0.258 19637 11885 1 15 . 1 1 118 118 HIS N N 118 118.493 118.493 117.842 0.651 19637 11886 1 15 . 1 1 118 118 HIS C C 118 177.821 177.821 177.026 0.795 19637 11887 1 15 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.569 -1.803 19637 11888 1 15 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.920 -3.193 19637 11889 1 15 . 1 1 118 118 HIS H H 118 8.185 8.185 8.322 -0.137 19637 11890 1 15 . 1 1 119 119 GLY N N 119 107.937 107.937 106.293 1.644 19637 11891 1 15 . 1 1 119 119 GLY C C 119 175.082 175.082 176.072 -0.990 19637 11892 1 15 . 1 1 119 119 GLY CA C 119 46.612 46.612 47.097 -0.485 19637 11893 1 15 . 1 1 119 119 GLY H H 119 8.788 8.788 8.620 0.168 19637 11894 1 15 . 1 1 120 120 LYS N N 120 122.898 122.898 122.492 0.406 19637 11895 1 15 . 1 1 120 120 LYS C C 120 181.612 181.612 179.579 2.033 19637 11896 1 15 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.094 -0.377 19637 11897 1 15 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.492 -1.836 19637 11898 1 15 . 1 1 120 120 LYS H H 120 8.890 8.890 8.455 0.435 19637 11899 1 15 . 1 1 121 121 GLU N N 121 120.995 120.995 118.940 2.055 19637 11900 1 15 . 1 1 121 121 GLU C C 121 177.327 177.327 176.832 0.495 19637 11901 1 15 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.224 -0.571 19637 11902 1 15 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.398 -1.668 19637 11903 1 15 . 1 1 121 121 GLU H H 121 8.234 8.234 7.885 0.349 19637 11904 1 15 . 1 1 122 122 ALA N N 122 119.811 119.811 119.199 0.612 19637 11905 1 15 . 1 1 122 122 ALA C C 122 176.500 176.500 177.774 -1.274 19637 11906 1 15 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.708 -0.666 19637 11907 1 15 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.411 -2.701 19637 11908 1 15 . 1 1 122 122 ALA H H 122 7.259 7.259 7.341 -0.082 19637 11909 1 15 . 1 1 123 123 GLY N N 123 103.863 103.863 105.658 -1.795 19637 11910 1 15 . 1 1 123 123 GLY C C 123 175.082 175.082 174.253 0.829 19637 11911 1 15 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.750 -0.486 19637 11912 1 15 . 1 1 123 123 GLY H H 123 7.745 7.745 7.700 0.045 19637 11913 1 15 . 1 1 124 124 LEU N N 124 123.722 123.722 121.262 2.460 19637 11914 1 15 . 1 1 124 124 LEU C C 124 176.293 176.293 176.756 -0.463 19637 11915 1 15 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.402 -0.133 19637 11916 1 15 . 1 1 124 124 LEU CB C 124 38.016 38.016 39.746 -1.730 19637 11917 1 15 . 1 1 124 124 LEU H H 124 7.461 7.461 7.861 -0.400 19637 11918 1 15 . 1 1 125 125 SER N N 125 114.112 114.112 119.063 -4.951 19637 11919 1 15 . 1 1 125 125 SER C C 125 173.250 173.250 175.458 -2.208 19637 11920 1 15 . 1 1 125 125 SER CA C 125 57.259 57.259 60.531 -3.272 19637 11921 1 15 . 1 1 125 125 SER CB C 125 65.684 65.684 63.458 2.226 19637 11922 1 15 . 1 1 125 125 SER H H 125 8.809 8.809 8.853 -0.044 19637 11923 1 15 . 1 1 126 126 ASP N N 126 117.817 117.817 119.709 -1.892 19637 11924 1 15 . 1 1 126 126 ASP C C 126 174.107 174.107 177.190 -3.083 19637 11925 1 15 . 1 1 126 126 ASP CA C 126 54.593 54.593 57.136 -2.543 19637 11926 1 15 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.320 -1.594 19637 11927 1 15 . 1 1 126 126 ASP H H 126 9.035 9.035 8.121 0.914 19637 11928 1 15 . 1 1 127 127 LEU N N 127 120.160 120.160 117.553 2.607 19637 11929 1 15 . 1 1 127 127 LEU C C 127 176.726 176.726 176.729 -0.003 19637 11930 1 15 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.316 -2.945 19637 11931 1 15 . 1 1 127 127 LEU CB C 127 40.322 40.322 40.840 -0.518 19637 11932 1 15 . 1 1 127 127 LEU H H 127 8.109 8.109 8.730 -0.621 19637 11933 1 15 . 1 1 128 128 SER N N 128 120.909 120.909 110.899 10.010 19637 11934 1 15 . 1 1 128 128 SER C C 128 172.038 172.038 174.701 -2.663 19637 11935 1 15 . 1 1 128 128 SER CA C 128 57.120 57.120 58.704 -1.584 19637 11936 1 15 . 1 1 128 128 SER CB C 128 64.353 64.353 62.962 1.391 19637 11937 1 15 . 1 1 128 128 SER H H 128 9.499 9.499 7.540 1.959 19637 11938 1 15 . 1 1 129 129 LEU N N 129 122.260 122.260 123.399 -1.139 19637 11939 1 15 . 1 1 129 129 LEU C C 129 176.411 176.411 176.176 0.235 19637 11940 1 15 . 1 1 129 129 LEU CA C 129 53.839 53.839 56.607 -2.768 19637 11941 1 15 . 1 1 129 129 LEU CB C 129 42.539 42.539 41.370 1.169 19637 11942 1 15 . 1 1 129 129 LEU H H 129 8.182 8.182 8.419 -0.237 19637 11943 1 15 . 1 1 130 130 LYS N N 130 122.490 122.490 121.680 0.810 19637 11944 1 15 . 1 1 130 130 LYS C C 130 176.754 176.754 174.796 1.958 19637 11945 1 15 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.053 -0.011 19637 11946 1 15 . 1 1 130 130 LYS CB C 130 32.518 32.518 35.210 -2.692 19637 11947 1 15 . 1 1 130 130 LYS H H 130 7.536 7.536 8.502 -0.966 19637 11948 1 15 . 1 1 131 131 ASP N N 131 123.217 123.217 116.712 6.505 19637 11949 1 15 . 1 1 131 131 ASP C C 131 175.998 175.998 174.740 1.258 19637 11950 1 15 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.934 -1.474 19637 11951 1 15 . 1 1 131 131 ASP CB C 131 40.233 40.233 39.066 1.167 19637 11952 1 15 . 1 1 131 131 ASP H H 131 8.782 8.782 8.567 0.215 19637 11953 1 15 . 1 1 132 132 SER N N 132 115.445 115.445 114.003 1.442 19637 11954 1 15 . 1 1 132 132 SER C C 132 171.920 171.920 173.650 -1.730 19637 11955 1 15 . 1 1 132 132 SER CA C 132 55.790 55.790 56.563 -0.773 19637 11956 1 15 . 1 1 132 132 SER CB C 132 64.087 64.087 63.831 0.256 19637 11957 1 15 . 1 1 132 132 SER H H 132 9.016 9.016 8.173 0.843 19637 11958 1 15 . 1 1 133 133 TRP N N 133 124.389 124.389 125.226 -0.837 19637 11959 1 15 . 1 1 133 133 TRP C C 133 178.243 178.243 175.074 3.169 19637 11960 1 15 . 1 1 133 133 TRP CA C 133 55.309 55.309 53.980 1.329 19637 11961 1 15 . 1 1 133 133 TRP CB C 133 31.401 31.401 29.670 1.731 19637 11962 1 15 . 1 1 133 133 TRP H H 133 7.896 7.896 7.801 0.095 19637 11963 1 15 . 1 1 134 134 GLY N N 134 107.658 107.658 109.379 -1.721 19637 11964 1 15 . 1 1 134 134 GLY C C 134 171.123 171.123 171.819 -0.696 19637 11965 1 15 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.821 -0.071 19637 11966 1 15 . 1 1 134 134 GLY H H 134 8.896 8.896 8.103 0.793 19637 11967 1 15 . 1 1 135 135 ALA N N 135 122.244 122.244 121.637 0.607 19637 11968 1 15 . 1 1 135 135 ALA C C 135 174.875 174.875 176.010 -1.135 19637 11969 1 15 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.614 0.527 19637 11970 1 15 . 1 1 135 135 ALA CB C 135 19.306 19.306 21.766 -2.460 19637 11971 1 15 . 1 1 135 135 ALA H H 135 8.946 8.946 8.400 0.546 19637 11972 1 15 . 1 1 136 136 ALA N N 136 118.579 118.579 120.018 -1.439 19637 11973 1 15 . 1 1 136 136 ALA C C 136 175.434 175.434 175.092 0.342 19637 11974 1 15 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.807 -2.313 19637 11975 1 15 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.879 1.328 19637 11976 1 15 . 1 1 136 136 ALA H H 136 8.111 8.111 8.060 0.051 19637 11977 1 15 . 1 1 137 137 GLY N N 137 105.005 105.005 106.702 -1.697 19637 11978 1 15 . 1 1 137 137 GLY C C 137 171.300 171.300 172.883 -1.583 19637 11979 1 15 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.401 -1.219 19637 11980 1 15 . 1 1 137 137 GLY H H 137 8.933 8.933 8.391 0.542 19637 11981 1 15 . 1 1 138 138 GLN N N 138 115.695 115.695 125.512 -9.817 19637 11982 1 15 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.407 -1.145 19637 11983 1 15 . 1 1 138 138 GLN H H 138 8.559 8.559 8.027 0.532 19637 11984 1 15 . 1 1 140 140 GLY N N 140 110.307 110.307 110.613 -0.306 19637 11985 1 15 . 1 1 140 140 GLY C C 140 171.329 171.329 171.509 -0.180 19637 11986 1 15 . 1 1 140 140 GLY CA C 140 44.617 44.617 45.529 -0.912 19637 11987 1 15 . 1 1 140 140 GLY H H 140 7.936 7.936 8.552 -0.616 19637 11988 1 15 . 1 1 141 141 VAL N N 141 112.233 112.233 112.556 -0.323 19637 11989 1 15 . 1 1 141 141 VAL C C 141 171.979 171.979 173.352 -1.373 19637 11990 1 15 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.314 -0.400 19637 11991 1 15 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.806 -1.869 19637 11992 1 15 . 1 1 141 141 VAL H H 141 8.646 8.646 8.556 0.090 19637 11993 1 15 . 1 1 142 142 ASP N N 142 122.520 122.520 122.263 0.257 19637 11994 1 15 . 1 1 142 142 ASP C C 142 175.259 175.259 174.661 0.598 19637 11995 1 15 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.556 -0.845 19637 11996 1 15 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.014 -1.234 19637 11997 1 15 . 1 1 142 142 ASP H H 142 7.402 7.402 8.378 -0.976 19637 11998 1 15 . 1 1 143 143 TYR N N 143 122.331 122.331 119.667 2.664 19637 11999 1 15 . 1 1 143 143 TYR C C 143 173.870 173.870 174.317 -0.447 19637 12000 1 15 . 1 1 143 143 TYR CA C 143 54.948 54.948 55.176 -0.228 19637 12001 1 15 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.658 0.107 19637 12002 1 15 . 1 1 143 143 TYR H H 143 9.396 9.396 8.554 0.842 19637 12003 1 15 . 1 1 144 144 LEU N N 144 130.341 130.341 124.074 6.267 19637 12004 1 15 . 1 1 144 144 LEU C C 144 174.786 174.786 176.798 -2.012 19637 12005 1 15 . 1 1 144 144 LEU CA C 144 55.524 55.524 56.481 -0.957 19637 12006 1 15 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.604 -1.927 19637 12007 1 15 . 1 1 144 144 LEU H H 144 8.313 8.313 9.126 -0.813 19637 12008 1 15 . 1 1 145 145 ILE N N 145 124.602 124.602 124.759 -0.157 19637 12009 1 15 . 1 1 145 145 ILE C C 145 177.593 177.593 175.609 1.984 19637 12010 1 15 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.605 -1.508 19637 12011 1 15 . 1 1 145 145 ILE CB C 145 36.864 36.864 39.615 -2.752 19637 12012 1 15 . 1 1 145 145 ILE H H 145 8.809 8.809 8.936 -0.127 19637 12013 1 15 . 1 1 146 146 ASN N N 146 118.348 118.348 117.730 0.618 19637 12014 1 15 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.483 -1.165 19637 12015 1 15 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.307 -3.355 19637 12016 1 15 . 1 1 146 146 ASN H H 146 8.362 8.362 8.185 0.177 19637 12017 1 15 . 1 1 147 147 ARG N N 147 113.940 113.940 119.634 -5.694 19637 12018 1 15 . 1 1 147 147 ARG C C 147 176.470 176.470 176.195 0.275 19637 12019 1 15 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.755 -0.171 19637 12020 1 15 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.405 -1.700 19637 12021 1 15 . 1 1 147 147 ARG H H 147 8.072 8.072 8.715 -0.643 19637 12022 1 15 . 1 1 148 148 ASP N N 148 112.938 112.938 115.061 -2.123 19637 12023 1 15 . 1 1 148 148 ASP C C 148 174.373 174.373 174.183 0.190 19637 12024 1 15 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.819 0.508 19637 12025 1 15 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.569 1.059 19637 12026 1 15 . 1 1 148 148 ASP H H 148 7.668 7.668 8.441 -0.773 19637 12027 1 15 . 1 1 149 149 TRP N N 149 116.148 116.148 119.382 -3.234 19637 12028 1 15 . 1 1 149 149 TRP C C 149 175.574 175.574 175.109 0.465 19637 12029 1 15 . 1 1 149 149 TRP CA C 149 55.486 55.486 56.094 -0.608 19637 12030 1 15 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.356 0.364 19637 12031 1 15 . 1 1 149 149 TRP H H 149 7.788 7.788 7.569 0.219 19637 12032 1 15 . 1 1 150 150 LEU N N 150 118.106 118.106 119.967 -1.861 19637 12033 1 15 . 1 1 150 150 LEU C C 150 175.141 175.141 174.700 0.441 19637 12034 1 15 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.230 -1.075 19637 12035 1 15 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.910 -0.509 19637 12036 1 15 . 1 1 150 150 LEU H H 150 9.306 9.306 9.561 -0.255 19637 12037 1 15 . 1 1 151 151 VAL N N 151 115.211 115.211 117.805 -2.594 19637 12038 1 15 . 1 1 151 151 VAL C C 151 173.524 173.524 173.189 0.335 19637 12039 1 15 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.604 -1.305 19637 12040 1 15 . 1 1 151 151 VAL CB C 151 33.849 33.849 36.004 -2.155 19637 12041 1 15 . 1 1 151 151 VAL H H 151 9.293 9.293 8.474 0.819 19637 12042 1 15 . 1 1 152 152 ASN N N 152 124.526 124.526 126.481 -1.955 19637 12043 1 15 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.792 -0.037 19637 12044 1 15 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.225 0.403 19637 12045 1 15 . 1 1 152 152 ASN H H 152 8.893 8.893 8.847 0.046 19637 12046 1 15 . 1 1 153 153 MET N N 153 118.533 118.533 120.966 -2.433 19637 12047 1 15 . 1 1 153 153 MET C C 153 173.987 173.987 174.069 -0.082 19637 12048 1 15 . 1 1 153 153 MET CA C 153 54.017 54.017 55.448 -1.431 19637 12049 1 15 . 1 1 153 153 MET CB C 153 36.243 36.243 37.963 -1.720 19637 12050 1 15 . 1 1 153 153 MET H H 153 8.003 8.003 9.050 -1.047 19637 12051 1 15 . 1 1 154 154 SER N N 154 113.225 113.225 116.893 -3.668 19637 12052 1 15 . 1 1 154 154 SER C C 154 172.120 172.120 173.476 -1.356 19637 12053 1 15 . 1 1 154 154 SER CA C 154 56.550 56.550 57.257 -0.707 19637 12054 1 15 . 1 1 154 154 SER CB C 154 64.619 64.619 66.678 -2.059 19637 12055 1 15 . 1 1 154 154 SER H H 154 9.191 9.191 9.115 0.076 19637 12056 1 15 . 1 1 155 155 VAL N N 155 119.543 119.543 117.918 1.625 19637 12057 1 15 . 1 1 155 155 VAL C C 155 173.973 173.973 174.547 -0.574 19637 12058 1 15 . 1 1 155 155 VAL CA C 155 59.382 59.382 59.836 -0.454 19637 12059 1 15 . 1 1 155 155 VAL H H 155 9.190 9.190 7.910 1.280 19637 12060 1 15 . 1 1 156 156 TRP N N 156 124.596 124.596 117.537 7.059 19637 12061 1 15 . 1 1 156 156 TRP C C 156 175.237 175.237 174.467 0.770 19637 12062 1 15 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.390 -2.127 19637 12063 1 15 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.526 2.702 19637 12064 1 15 . 1 1 156 156 TRP H H 156 9.883 9.883 7.421 2.462 19637 12065 1 15 . 1 1 160 160 ILE N N 160 123.211 123.211 122.165 1.046 19637 12066 1 15 . 1 1 160 160 ILE C C 160 173.545 173.545 175.389 -1.844 19637 12067 1 15 . 1 1 160 160 ILE CA C 160 60.269 60.269 62.963 -2.694 19637 12068 1 15 . 1 1 160 160 ILE H H 160 7.948 7.948 8.163 -0.215 19637 12069 1 15 . 1 1 161 161 ASP N N 161 128.357 128.357 124.592 3.765 19637 12070 1 15 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.767 -1.346 19637 12071 1 15 . 1 1 161 161 ASP CB C 161 41.830 41.830 44.078 -2.248 19637 12072 1 15 . 1 1 161 161 ASP H H 161 8.302 8.302 8.451 -0.149 19637 12073 1 15 . 1 1 162 162 THR N N 162 117.472 117.472 114.388 3.084 19637 12074 1 15 . 1 1 162 162 THR CA C 162 57.259 57.259 60.939 -3.680 19637 12075 1 15 . 1 1 162 162 THR CB C 162 68.167 68.167 70.540 -2.373 19637 12076 1 15 . 1 1 162 162 THR H H 162 8.788 8.788 8.501 0.287 19637 12077 1 15 . 1 1 163 163 THR N N 163 120.189 120.189 116.750 3.439 19637 12078 1 15 . 1 1 163 163 THR CA C 163 60.629 60.629 59.325 1.304 19637 12079 1 15 . 1 1 163 163 THR CB C 163 68.278 68.278 71.154 -2.877 19637 12080 1 15 . 1 1 163 163 THR H H 163 8.429 8.429 8.528 -0.099 19637 12081 1 15 . 1 1 164 164 ALA N N 164 127.991 127.991 127.026 0.965 19637 12082 1 15 . 1 1 164 164 ALA C C 164 174.993 174.993 175.594 -0.601 19637 12083 1 15 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.092 -0.902 19637 12084 1 15 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.786 -2.835 19637 12085 1 15 . 1 1 164 164 ALA H H 164 9.428 9.428 8.761 0.667 19637 12086 1 15 . 1 1 165 165 ASN N N 165 122.214 122.214 121.631 0.583 19637 12087 1 15 . 1 1 165 165 ASN C C 165 173.047 173.047 173.599 -0.552 19637 12088 1 15 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.252 -1.111 19637 12089 1 15 . 1 1 165 165 ASN CB C 165 40.056 40.056 41.891 -1.835 19637 12090 1 15 . 1 1 165 165 ASN H H 165 9.216 9.216 8.356 0.860 19637 12091 1 15 . 1 1 166 166 TYR N N 166 116.330 116.330 118.012 -1.682 19637 12092 1 15 . 1 1 166 166 TYR C C 166 172.260 172.260 175.027 -2.767 19637 12093 1 15 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.802 -2.405 19637 12094 1 15 . 1 1 166 166 TYR CB C 166 37.662 37.662 41.177 -3.515 19637 12095 1 15 . 1 1 166 166 TYR H H 166 7.816 7.816 8.805 -0.989 19637 12096 1 15 . 1 1 167 167 LYS N N 167 117.734 117.734 125.621 -7.887 19637 12097 1 15 . 1 1 167 167 LYS C C 167 174.760 174.760 175.057 -0.297 19637 12098 1 15 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.480 -1.729 19637 12099 1 15 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.205 1.177 19637 12100 1 15 . 1 1 167 167 LYS H H 167 9.100 9.100 8.517 0.583 19637 12101 1 15 . 1 1 168 168 LEU N N 168 121.623 121.623 127.445 -5.822 19637 12102 1 15 . 1 1 168 168 LEU C C 168 177.877 177.877 177.705 0.172 19637 12103 1 15 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.237 -1.728 19637 12104 1 15 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.001 0.893 19637 12105 1 15 . 1 1 168 168 LEU H H 168 8.372 8.372 8.218 0.154 19637 12106 1 15 . 1 1 169 169 GLY N N 169 119.264 119.264 111.842 7.422 19637 12107 1 15 . 1 1 169 169 GLY C C 169 175.602 175.602 175.025 0.577 19637 12108 1 15 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.969 1.288 19637 12109 1 15 . 1 1 169 169 GLY H H 169 9.603 9.603 8.424 1.179 19637 12110 1 15 . 1 1 170 170 GLY N N 170 104.659 104.659 106.547 -1.888 19637 12111 1 15 . 1 1 170 170 GLY C C 170 172.570 172.570 173.223 -0.653 19637 12112 1 15 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.155 -1.115 19637 12113 1 15 . 1 1 170 170 GLY H H 170 8.381 8.381 8.257 0.124 19637 12114 1 15 . 1 1 171 171 ALA N N 171 123.570 123.570 122.927 0.643 19637 12115 1 15 . 1 1 171 171 ALA C C 171 177.569 177.569 176.344 1.225 19637 12116 1 15 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.903 -1.010 19637 12117 1 15 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.737 -2.407 19637 12118 1 15 . 1 1 171 171 ALA H H 171 7.650 7.650 7.918 -0.268 19637 12119 1 15 . 1 1 172 172 GLN N N 172 124.057 124.057 121.801 2.256 19637 12120 1 15 . 1 1 172 172 GLN C C 172 174.869 174.869 175.524 -0.655 19637 12121 1 15 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.523 0.495 19637 12122 1 15 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.155 0.018 19637 12123 1 15 . 1 1 172 172 GLN H H 172 8.840 8.840 8.703 0.137 19637 12124 1 15 . 1 1 173 173 GLN N N 173 124.328 124.328 123.439 0.889 19637 12125 1 15 . 1 1 173 173 GLN C C 173 174.953 174.953 174.644 0.309 19637 12126 1 15 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.943 -3.788 19637 12127 1 15 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.731 -1.316 19637 12128 1 15 . 1 1 173 173 GLN H H 173 9.023 9.023 8.696 0.327 19637 12129 1 15 . 1 1 174 174 HIS N N 174 115.629 115.629 111.762 3.867 19637 12130 1 15 . 1 1 174 174 HIS C C 174 173.103 173.103 173.338 -0.235 19637 12131 1 15 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.203 -1.757 19637 12132 1 15 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.399 -1.718 19637 12133 1 15 . 1 1 174 174 HIS H H 174 8.227 8.227 8.297 -0.070 19637 12134 1 15 . 1 1 175 175 ASP N N 175 120.615 120.615 123.086 -2.471 19637 12135 1 15 . 1 1 175 175 ASP C C 175 175.013 175.013 175.531 -0.518 19637 12136 1 15 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.104 -0.373 19637 12137 1 15 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.492 0.619 19637 12138 1 15 . 1 1 175 175 ASP H H 175 8.964 8.964 8.595 0.369 19637 12139 1 15 . 1 1 176 176 SER N N 176 118.175 118.175 119.453 -1.278 19637 12140 1 15 . 1 1 176 176 SER C C 176 173.496 173.496 174.365 -0.869 19637 12141 1 15 . 1 1 176 176 SER CA C 176 57.697 57.697 57.764 -0.067 19637 12142 1 15 . 1 1 176 176 SER CB C 176 62.757 62.757 63.622 -0.865 19637 12143 1 15 . 1 1 176 176 SER H H 176 9.137 9.137 8.520 0.617 19637 12144 1 15 . 1 1 177 177 VAL N N 177 123.737 123.737 125.254 -1.517 19637 12145 1 15 . 1 1 177 177 VAL C C 177 173.398 173.398 175.637 -2.239 19637 12146 1 15 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.587 -1.310 19637 12147 1 15 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.944 -0.426 19637 12148 1 15 . 1 1 177 177 VAL H H 177 8.492 8.492 8.412 0.080 19637 12149 1 15 . 1 1 178 178 ARG N N 178 127.628 127.628 126.156 1.472 19637 12150 1 15 . 1 1 178 178 ARG C C 178 175.097 175.097 174.807 0.290 19637 12151 1 15 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.520 -1.503 19637 12152 1 15 . 1 1 178 178 ARG CB C 178 29.149 29.149 29.661 -0.512 19637 12153 1 15 . 1 1 178 178 ARG H H 178 8.513 8.513 8.506 0.007 19637 12154 1 15 . 1 1 182 182 TRP N N 182 115.616 115.616 122.015 -6.399 19637 12155 1 15 . 1 1 182 182 TRP C C 182 176.613 176.613 174.412 2.201 19637 12156 1 15 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.545 -1.317 19637 12157 1 15 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.929 0.880 19637 12158 1 15 . 1 1 182 182 TRP H H 182 7.491 7.491 8.627 -1.136 19637 12159 1 15 . 1 1 183 183 VAL N N 183 121.618 121.618 117.801 3.817 19637 12160 1 15 . 1 1 183 183 VAL CA C 183 58.628 58.628 61.968 -3.341 19637 12161 1 15 . 1 1 183 183 VAL CB C 183 32.696 32.696 33.912 -1.216 19637 12162 1 15 . 1 1 183 183 VAL H H 183 9.372 9.372 7.438 1.934 19637 12163 1 15 . 1 1 185 185 MET N N 185 129.032 129.032 119.784 9.248 19637 12164 1 15 . 1 1 185 185 MET C C 185 172.186 172.186 174.072 -1.886 19637 12165 1 15 . 1 1 185 185 MET CA C 185 53.091 53.091 54.976 -1.885 19637 12166 1 15 . 1 1 185 185 MET CB C 185 33.405 33.405 36.147 -2.742 19637 12167 1 15 . 1 1 185 185 MET H H 185 9.615 9.615 8.197 1.418 19637 12168 1 15 . 1 1 186 186 PHE N N 186 124.085 124.085 116.467 7.618 19637 12169 1 15 . 1 1 186 186 PHE C C 186 174.816 174.816 173.198 1.618 19637 12170 1 15 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.256 -1.125 19637 12171 1 15 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.781 -1.193 19637 12172 1 15 . 1 1 186 186 PHE H H 186 7.976 7.976 8.111 -0.135 19637 12173 1 15 . 1 1 187 187 SER N N 187 116.369 116.369 112.695 3.674 19637 12174 1 15 . 1 1 187 187 SER C C 187 171.305 171.305 172.488 -1.183 19637 12175 1 15 . 1 1 187 187 SER CA C 187 57.348 57.348 57.572 -0.224 19637 12176 1 15 . 1 1 187 187 SER CB C 187 66.127 66.127 66.129 -0.002 19637 12177 1 15 . 1 1 187 187 SER H H 187 9.355 9.355 9.174 0.181 19637 12178 1 15 . 1 1 188 188 ALA N N 188 119.248 119.248 121.155 -1.907 19637 12179 1 15 . 1 1 188 188 ALA C C 188 175.996 175.996 175.456 0.540 19637 12180 1 15 . 1 1 188 188 ALA CA C 188 49.085 49.085 52.123 -3.038 19637 12181 1 15 . 1 1 188 188 ALA CB C 188 21.079 21.079 22.200 -1.121 19637 12182 1 15 . 1 1 188 188 ALA H H 188 8.300 8.300 8.369 -0.069 19637 12183 1 15 . 1 1 189 189 GLY N N 189 104.914 104.914 108.663 -3.749 19637 12184 1 15 . 1 1 189 189 GLY C C 189 170.650 170.650 171.809 -1.159 19637 12185 1 15 . 1 1 189 189 GLY CA C 189 44.046 44.046 46.456 -2.410 19637 12186 1 15 . 1 1 189 189 GLY H H 189 9.235 9.235 8.818 0.417 19637 12187 1 15 . 1 1 190 190 TYR N N 190 121.149 121.149 116.457 4.692 19637 12188 1 15 . 1 1 190 190 TYR C C 190 173.608 173.608 173.983 -0.375 19637 12189 1 15 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.836 -0.705 19637 12190 1 15 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.138 1.224 19637 12191 1 15 . 1 1 190 190 TYR H H 190 8.865 8.865 8.613 0.252 19637 12192 1 15 . 1 1 191 191 ARG N N 191 125.697 125.697 120.405 5.292 19637 12193 1 15 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.427 -2.898 19637 12194 1 15 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.643 -0.696 19637 12195 1 15 . 1 1 191 191 ARG H H 191 7.469 7.469 8.668 -1.200 19637 12196 1 16 . 1 1 2 2 HIS N N 2 119.214 119.214 120.316 -1.102 19637 12197 1 16 . 1 1 2 2 HIS C C 2 171.081 171.081 173.994 -2.913 19637 12198 1 16 . 1 1 2 2 HIS CA C 2 52.288 52.288 54.848 -2.560 19637 12199 1 16 . 1 1 2 2 HIS CB C 2 23.296 23.296 28.344 -5.048 19637 12200 1 16 . 1 1 2 2 HIS H H 2 8.422 8.422 8.521 -0.099 19637 12201 1 16 . 1 1 3 3 GLU N N 3 113.500 113.500 117.827 -4.327 19637 12202 1 16 . 1 1 3 3 GLU C C 3 174.619 174.619 174.174 0.445 19637 12203 1 16 . 1 1 3 3 GLU CA C 3 53.662 53.662 54.930 -1.268 19637 12204 1 16 . 1 1 3 3 GLU CB C 3 29.415 29.415 30.462 -1.048 19637 12205 1 16 . 1 1 3 3 GLU H H 3 6.642 6.642 7.352 -0.710 19637 12206 1 16 . 1 1 4 4 ALA N N 4 120.680 120.680 122.686 -2.006 19637 12207 1 16 . 1 1 4 4 ALA C C 4 178.439 178.439 178.113 0.326 19637 12208 1 16 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.626 -1.250 19637 12209 1 16 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.636 -1.192 19637 12210 1 16 . 1 1 4 4 ALA H H 4 8.701 8.701 8.256 0.445 19637 12211 1 16 . 1 1 5 5 GLY N N 5 112.786 112.786 108.885 3.901 19637 12212 1 16 . 1 1 5 5 GLY C C 5 173.309 173.309 173.851 -0.542 19637 12213 1 16 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.647 -1.094 19637 12214 1 16 . 1 1 5 5 GLY H H 5 9.294 9.294 8.174 1.120 19637 12215 1 16 . 1 1 6 6 GLU N N 6 121.755 121.755 120.581 1.174 19637 12216 1 16 . 1 1 6 6 GLU C C 6 173.693 173.693 174.965 -1.272 19637 12217 1 16 . 1 1 6 6 GLU CA C 6 56.018 56.018 54.546 1.472 19637 12218 1 16 . 1 1 6 6 GLU CB C 6 31.188 31.188 31.902 -0.714 19637 12219 1 16 . 1 1 6 6 GLU H H 6 7.955 7.955 7.370 0.585 19637 12220 1 16 . 1 1 7 7 PHE N N 7 124.802 124.802 117.330 7.472 19637 12221 1 16 . 1 1 7 7 PHE C C 7 174.039 174.039 175.062 -1.023 19637 12222 1 16 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.317 -0.984 19637 12223 1 16 . 1 1 7 7 PHE CB C 7 41.741 41.741 42.087 -0.346 19637 12224 1 16 . 1 1 7 7 PHE H H 7 8.648 8.648 7.722 0.926 19637 12225 1 16 . 1 1 8 8 PHE N N 8 121.132 121.132 124.384 -3.252 19637 12226 1 16 . 1 1 8 8 PHE C C 8 171.861 171.861 173.960 -2.099 19637 12227 1 16 . 1 1 8 8 PHE CA C 8 54.549 54.549 58.339 -3.790 19637 12228 1 16 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.268 -3.591 19637 12229 1 16 . 1 1 8 8 PHE H H 8 8.574 8.574 8.913 -0.339 19637 12230 1 16 . 1 1 9 9 MET N N 9 120.391 120.391 119.713 0.678 19637 12231 1 16 . 1 1 9 9 MET C C 9 174.166 174.166 173.712 0.454 19637 12232 1 16 . 1 1 9 9 MET CA C 9 52.199 52.199 55.067 -2.868 19637 12233 1 16 . 1 1 9 9 MET CB C 9 37.307 37.307 37.022 0.285 19637 12234 1 16 . 1 1 9 9 MET H H 9 8.541 8.541 9.426 -0.885 19637 12235 1 16 . 1 1 10 10 ARG N N 10 117.892 117.892 117.180 0.712 19637 12236 1 16 . 1 1 10 10 ARG C C 10 175.289 175.289 173.444 1.845 19637 12237 1 16 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.249 -0.803 19637 12238 1 16 . 1 1 10 10 ARG CB C 10 31.366 31.366 32.081 -0.715 19637 12239 1 16 . 1 1 10 10 ARG H H 10 8.357 8.357 8.367 -0.010 19637 12240 1 16 . 1 1 11 11 ALA N N 11 119.664 119.664 121.592 -1.928 19637 12241 1 16 . 1 1 11 11 ALA C C 11 176.057 176.057 176.217 -0.160 19637 12242 1 16 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.736 -2.104 19637 12243 1 16 . 1 1 11 11 ALA CB C 11 21.518 21.518 21.079 0.439 19637 12244 1 16 . 1 1 11 11 ALA H H 11 9.154 9.154 8.512 0.642 19637 12245 1 16 . 1 1 12 12 GLY N N 12 106.262 106.262 110.044 -3.782 19637 12246 1 16 . 1 1 12 12 GLY C C 12 172.068 172.068 172.495 -0.427 19637 12247 1 16 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.307 0.842 19637 12248 1 16 . 1 1 12 12 GLY H H 12 8.655 8.655 8.798 -0.143 19637 12249 1 16 . 1 1 13 13 SER N N 13 116.893 116.893 115.559 1.334 19637 12250 1 16 . 1 1 13 13 SER C C 13 173.604 173.604 173.194 0.410 19637 12251 1 16 . 1 1 13 13 SER CA C 13 56.367 56.367 57.494 -1.127 19637 12252 1 16 . 1 1 13 13 SER CB C 13 64.087 64.087 65.291 -1.204 19637 12253 1 16 . 1 1 13 13 SER H H 13 8.644 8.644 8.344 0.300 19637 12254 1 16 . 1 1 14 14 ALA N N 14 125.234 125.234 128.605 -3.371 19637 12255 1 16 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.501 -1.874 19637 12256 1 16 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.994 -1.664 19637 12257 1 16 . 1 1 14 14 ALA H H 14 9.120 9.120 8.382 0.738 19637 12258 1 16 . 1 1 15 15 THR N N 15 121.303 121.303 118.719 2.584 19637 12259 1 16 . 1 1 15 15 THR C C 15 175.230 175.230 174.151 1.079 19637 12260 1 16 . 1 1 15 15 THR CA C 15 60.895 60.895 61.345 -0.450 19637 12261 1 16 . 1 1 15 15 THR CB C 15 70.029 70.029 69.690 0.339 19637 12262 1 16 . 1 1 15 15 THR H H 15 9.351 9.351 8.541 0.810 19637 12263 1 16 . 1 1 16 16 VAL N N 16 126.781 126.781 122.186 4.595 19637 12264 1 16 . 1 1 16 16 VAL C C 16 174.432 174.432 175.111 -0.679 19637 12265 1 16 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.350 -1.544 19637 12266 1 16 . 1 1 16 16 VAL CB C 16 30.922 30.922 31.823 -0.901 19637 12267 1 16 . 1 1 16 16 VAL H H 16 9.110 9.110 8.757 0.353 19637 12268 1 16 . 1 1 17 17 ARG N N 17 129.806 129.806 126.930 2.876 19637 12269 1 16 . 1 1 17 17 ARG C C 17 173.440 173.440 173.916 -0.476 19637 12270 1 16 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.804 -1.397 19637 12271 1 16 . 1 1 17 17 ARG CB C 17 30.302 30.302 33.711 -3.409 19637 12272 1 16 . 1 1 17 17 ARG H H 17 9.325 9.325 8.403 0.922 19637 12273 1 16 . 1 1 19 19 THR N N 19 114.402 114.402 109.746 4.656 19637 12274 1 16 . 1 1 19 19 THR CA C 19 61.022 61.022 64.195 -3.173 19637 12275 1 16 . 1 1 19 19 THR CB C 19 69.142 69.142 69.055 0.087 19637 12276 1 16 . 1 1 19 19 THR H H 19 8.021 8.021 8.291 -0.270 19637 12277 1 16 . 1 1 20 20 GLU N N 20 123.598 123.598 119.808 3.790 19637 12278 1 16 . 1 1 20 20 GLU C C 20 177.007 177.007 175.549 1.458 19637 12279 1 16 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.658 -1.178 19637 12280 1 16 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.827 -1.033 19637 12281 1 16 . 1 1 20 20 GLU H H 20 8.601 8.601 8.000 0.601 19637 12282 1 16 . 1 1 21 21 GLY N N 21 110.237 110.237 109.479 0.758 19637 12283 1 16 . 1 1 21 21 GLY C C 21 174.077 174.077 173.126 0.951 19637 12284 1 16 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.674 -0.013 19637 12285 1 16 . 1 1 21 21 GLY H H 21 8.530 8.530 8.248 0.282 19637 12286 1 16 . 1 1 22 22 ALA N N 22 123.476 123.476 124.639 -1.163 19637 12287 1 16 . 1 1 22 22 ALA C C 22 178.158 178.158 176.486 1.672 19637 12288 1 16 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.224 -0.469 19637 12289 1 16 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.678 -1.900 19637 12290 1 16 . 1 1 22 22 ALA H H 22 8.279 8.279 8.084 0.195 19637 12291 1 16 . 1 1 23 23 GLY N N 23 107.265 107.265 108.008 -0.743 19637 12292 1 16 . 1 1 23 23 GLY C C 23 174.727 174.727 174.657 0.070 19637 12293 1 16 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.366 -0.926 19637 12294 1 16 . 1 1 23 23 GLY H H 23 8.452 8.452 9.831 -1.379 19637 12295 1 16 . 1 1 24 24 GLY N N 24 108.306 108.306 109.314 -1.008 19637 12296 1 16 . 1 1 24 24 GLY C C 24 174.786 174.786 174.920 -0.134 19637 12297 1 16 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.236 -0.796 19637 12298 1 16 . 1 1 24 24 GLY H H 24 8.221 8.221 8.492 -0.271 19637 12299 1 16 . 1 1 25 25 THR N N 25 114.381 114.381 113.898 0.483 19637 12300 1 16 . 1 1 25 25 THR C C 25 175.170 175.170 175.788 -0.618 19637 12301 1 16 . 1 1 25 25 THR CA C 25 61.599 61.599 61.840 -0.241 19637 12302 1 16 . 1 1 25 25 THR CB C 25 68.521 68.521 69.454 -0.933 19637 12303 1 16 . 1 1 25 25 THR H H 25 8.213 8.213 8.086 0.127 19637 12304 1 16 . 1 1 26 26 LEU N N 26 123.038 123.038 122.806 0.232 19637 12305 1 16 . 1 1 26 26 LEU C C 26 177.918 177.918 177.770 0.148 19637 12306 1 16 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.196 -0.514 19637 12307 1 16 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.953 -1.808 19637 12308 1 16 . 1 1 26 26 LEU H H 26 8.425 8.425 7.844 0.581 19637 12309 1 16 . 1 1 27 27 GLY N N 27 108.786 108.786 106.684 2.102 19637 12310 1 16 . 1 1 27 27 GLY C C 27 175.023 175.023 173.403 1.620 19637 12311 1 16 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.150 0.689 19637 12312 1 16 . 1 1 27 27 GLY H H 27 8.260 8.260 7.925 0.335 19637 12313 1 16 . 1 1 28 28 SER N N 28 116.175 116.175 113.994 2.181 19637 12314 1 16 . 1 1 28 28 SER CA C 28 58.140 58.140 57.929 0.210 19637 12315 1 16 . 1 1 28 28 SER CB C 28 62.846 62.846 63.927 -1.081 19637 12316 1 16 . 1 1 28 28 SER H H 28 8.330 8.330 8.285 0.045 19637 12317 1 16 . 1 1 29 29 LEU N N 29 122.260 122.260 121.262 0.998 19637 12318 1 16 . 1 1 29 29 LEU C C 29 177.512 177.512 175.755 1.757 19637 12319 1 16 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.602 -1.186 19637 12320 1 16 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.050 -2.728 19637 12321 1 16 . 1 1 29 29 LEU H H 29 8.157 8.157 8.586 -0.429 19637 12322 1 16 . 1 1 30 30 GLY N N 30 107.575 107.575 108.317 -0.742 19637 12323 1 16 . 1 1 30 30 GLY C C 30 174.225 174.225 173.773 0.452 19637 12324 1 16 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.889 -0.361 19637 12325 1 16 . 1 1 30 30 GLY H H 30 8.144 8.144 8.692 -0.548 19637 12326 1 16 . 1 1 31 31 GLY N N 31 107.996 107.996 106.693 1.303 19637 12327 1 16 . 1 1 31 31 GLY C C 31 173.664 173.664 172.599 1.065 19637 12328 1 16 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.183 0.035 19637 12329 1 16 . 1 1 31 31 GLY H H 31 8.044 8.044 7.825 0.219 19637 12330 1 16 . 1 1 32 32 PHE N N 32 119.248 119.248 117.090 2.158 19637 12331 1 16 . 1 1 32 32 PHE C C 32 175.495 175.495 174.822 0.673 19637 12332 1 16 . 1 1 32 32 PHE CA C 32 56.373 56.373 55.760 0.613 19637 12333 1 16 . 1 1 32 32 PHE CB C 32 39.258 39.258 39.740 -0.482 19637 12334 1 16 . 1 1 32 32 PHE H H 32 8.181 8.181 7.622 0.559 19637 12335 1 16 . 1 1 33 33 SER N N 33 117.720 117.720 117.935 -0.215 19637 12336 1 16 . 1 1 33 33 SER C C 33 173.368 173.368 172.712 0.656 19637 12337 1 16 . 1 1 33 33 SER CA C 33 55.746 55.746 57.844 -2.098 19637 12338 1 16 . 1 1 33 33 SER CB C 33 64.265 64.265 64.780 -0.515 19637 12339 1 16 . 1 1 33 33 SER H H 33 8.771 8.771 8.464 0.307 19637 12340 1 16 . 1 1 34 34 VAL N N 34 123.007 123.007 120.323 2.684 19637 12341 1 16 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.465 -2.038 19637 12342 1 16 . 1 1 34 34 VAL CB C 34 32.785 32.785 31.382 1.403 19637 12343 1 16 . 1 1 34 34 VAL H H 34 8.525 8.525 8.249 0.276 19637 12344 1 16 . 1 1 35 35 THR N N 35 115.459 115.459 119.579 -4.120 19637 12345 1 16 . 1 1 35 35 THR CA C 35 61.200 61.200 62.773 -1.573 19637 12346 1 16 . 1 1 35 35 THR CB C 35 69.851 69.851 69.628 0.223 19637 12347 1 16 . 1 1 35 35 THR H H 35 8.147 8.147 8.391 -0.244 19637 12348 1 16 . 1 1 36 36 ASN N N 36 118.274 118.274 124.799 -6.525 19637 12349 1 16 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.831 -2.424 19637 12350 1 16 . 1 1 36 36 ASN CB C 36 38.105 38.105 38.246 -0.141 19637 12351 1 16 . 1 1 36 36 ASN H H 36 8.719 8.719 8.495 0.225 19637 12352 1 16 . 1 1 37 37 ASN N N 37 115.657 115.657 117.258 -1.601 19637 12353 1 16 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.706 1.159 19637 12354 1 16 . 1 1 37 37 ASN CB C 37 44.312 44.312 39.424 4.888 19637 12355 1 16 . 1 1 37 37 ASN H H 37 8.432 8.432 8.155 0.277 19637 12356 1 16 . 1 1 38 38 THR N N 38 122.444 122.444 116.043 6.401 19637 12357 1 16 . 1 1 38 38 THR CA C 38 61.288 61.288 62.733 -1.444 19637 12358 1 16 . 1 1 38 38 THR CB C 38 69.142 69.142 68.922 0.220 19637 12359 1 16 . 1 1 38 38 THR H H 38 8.095 8.095 8.197 -0.102 19637 12360 1 16 . 1 1 40 40 LEU N N 40 120.457 120.457 120.395 0.062 19637 12361 1 16 . 1 1 40 40 LEU CA C 40 54.327 54.327 55.247 -0.920 19637 12362 1 16 . 1 1 40 40 LEU CB C 40 41.218 41.218 45.886 -4.668 19637 12363 1 16 . 1 1 40 40 LEU H H 40 6.902 6.902 7.263 -0.361 19637 12364 1 16 . 1 1 41 41 GLY N N 41 111.223 111.223 113.761 -2.538 19637 12365 1 16 . 1 1 41 41 GLY C C 41 171.034 171.034 171.647 -0.613 19637 12366 1 16 . 1 1 41 41 GLY CA C 41 42.843 42.843 45.721 -2.878 19637 12367 1 16 . 1 1 41 41 GLY H H 41 8.978 8.978 8.657 0.321 19637 12368 1 16 . 1 1 42 42 LEU N N 42 122.123 122.123 127.535 -5.412 19637 12369 1 16 . 1 1 42 42 LEU C C 42 175.350 175.350 174.604 0.746 19637 12370 1 16 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.398 -1.243 19637 12371 1 16 . 1 1 42 42 LEU CB C 42 45.377 45.377 44.890 0.487 19637 12372 1 16 . 1 1 42 42 LEU H H 42 8.679 8.679 8.180 0.499 19637 12373 1 16 . 1 1 43 43 THR N N 43 109.917 109.917 118.512 -8.595 19637 12374 1 16 . 1 1 43 43 THR C C 43 173.516 173.516 173.292 0.224 19637 12375 1 16 . 1 1 43 43 THR CA C 43 58.057 58.057 59.788 -1.731 19637 12376 1 16 . 1 1 43 43 THR CB C 43 70.029 70.029 71.406 -1.377 19637 12377 1 16 . 1 1 43 43 THR H H 43 8.792 8.792 8.500 0.292 19637 12378 1 16 . 1 1 44 44 PHE N N 44 118.699 118.699 119.133 -0.434 19637 12379 1 16 . 1 1 44 44 PHE C C 44 173.917 173.917 173.653 0.264 19637 12380 1 16 . 1 1 44 44 PHE CA C 44 55.480 55.480 55.660 -0.180 19637 12381 1 16 . 1 1 44 44 PHE CB C 44 40.765 40.765 40.089 0.676 19637 12382 1 16 . 1 1 44 44 PHE H H 44 8.566 8.566 7.718 0.848 19637 12383 1 16 . 1 1 45 45 THR N N 45 118.229 118.229 118.008 0.221 19637 12384 1 16 . 1 1 45 45 THR C C 45 170.886 170.886 172.852 -1.966 19637 12385 1 16 . 1 1 45 45 THR CA C 45 60.097 60.097 61.778 -1.681 19637 12386 1 16 . 1 1 45 45 THR CB C 45 68.433 68.433 71.056 -2.623 19637 12387 1 16 . 1 1 45 45 THR H H 45 7.903 7.903 8.537 -0.634 19637 12388 1 16 . 1 1 46 46 TYR N N 46 124.450 124.450 128.633 -4.183 19637 12389 1 16 . 1 1 46 46 TYR C C 46 174.254 174.254 174.376 -0.122 19637 12390 1 16 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.440 -2.290 19637 12391 1 16 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.901 0.371 19637 12392 1 16 . 1 1 46 46 TYR H H 46 8.941 8.941 9.226 -0.285 19637 12393 1 16 . 1 1 47 47 MET N N 47 123.598 123.598 126.345 -2.747 19637 12394 1 16 . 1 1 47 47 MET C C 47 175.082 175.082 176.020 -0.938 19637 12395 1 16 . 1 1 47 47 MET CA C 47 50.425 50.425 54.494 -4.069 19637 12396 1 16 . 1 1 47 47 MET CB C 47 26.222 26.222 29.986 -3.764 19637 12397 1 16 . 1 1 47 47 MET H H 47 7.798 7.798 8.523 -0.725 19637 12398 1 16 . 1 1 48 48 ALA N N 48 129.975 129.975 129.402 0.573 19637 12399 1 16 . 1 1 48 48 ALA C C 48 178.568 178.568 177.774 0.794 19637 12400 1 16 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.320 -0.015 19637 12401 1 16 . 1 1 48 48 ALA CB C 48 17.712 17.712 20.032 -2.320 19637 12402 1 16 . 1 1 48 48 ALA H H 48 8.717 8.717 8.600 0.117 19637 12403 1 16 . 1 1 49 49 THR N N 49 106.011 106.011 110.965 -4.954 19637 12404 1 16 . 1 1 49 49 THR C C 49 171.950 171.950 173.288 -1.338 19637 12405 1 16 . 1 1 49 49 THR CA C 49 57.786 57.786 60.339 -2.553 19637 12406 1 16 . 1 1 49 49 THR CB C 49 70.535 70.535 69.816 0.719 19637 12407 1 16 . 1 1 49 49 THR H H 49 8.072 8.072 7.468 0.604 19637 12408 1 16 . 1 1 50 50 ASP N N 50 114.062 114.062 119.982 -5.920 19637 12409 1 16 . 1 1 50 50 ASP C C 50 175.318 175.318 175.151 0.167 19637 12410 1 16 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.636 0.140 19637 12411 1 16 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.248 -0.458 19637 12412 1 16 . 1 1 50 50 ASP H H 50 8.390 8.390 8.425 -0.035 19637 12413 1 16 . 1 1 51 51 ASN N N 51 111.850 111.850 116.669 -4.819 19637 12414 1 16 . 1 1 51 51 ASN C C 51 171.684 171.684 172.988 -1.304 19637 12415 1 16 . 1 1 51 51 ASN CA C 51 54.416 54.416 53.202 1.214 19637 12416 1 16 . 1 1 51 51 ASN CB C 51 40.233 40.233 39.498 0.735 19637 12417 1 16 . 1 1 51 51 ASN H H 51 7.887 7.887 7.956 -0.069 19637 12418 1 16 . 1 1 52 52 ILE N N 52 118.929 118.929 118.339 0.590 19637 12419 1 16 . 1 1 52 52 ILE C C 52 175.495 175.495 173.606 1.889 19637 12420 1 16 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.803 -1.155 19637 12421 1 16 . 1 1 52 52 ILE CB C 52 37.484 37.484 41.684 -4.200 19637 12422 1 16 . 1 1 52 52 ILE H H 52 7.707 7.707 7.685 0.022 19637 12423 1 16 . 1 1 53 53 GLY N N 53 114.998 114.998 113.172 1.826 19637 12424 1 16 . 1 1 53 53 GLY C C 53 171.536 171.536 173.243 -1.707 19637 12425 1 16 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.811 -0.879 19637 12426 1 16 . 1 1 53 53 GLY H H 53 8.678 8.678 8.428 0.250 19637 12427 1 16 . 1 1 54 54 VAL N N 54 118.327 118.327 123.176 -4.849 19637 12428 1 16 . 1 1 54 54 VAL C C 54 173.309 173.309 174.554 -1.245 19637 12429 1 16 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.958 -1.310 19637 12430 1 16 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.541 -0.668 19637 12431 1 16 . 1 1 54 54 VAL H H 54 8.734 8.734 8.356 0.378 19637 12432 1 16 . 1 1 55 55 GLU N N 55 126.907 126.907 128.592 -1.685 19637 12433 1 16 . 1 1 55 55 GLU C C 55 173.575 173.575 174.507 -0.932 19637 12434 1 16 . 1 1 55 55 GLU CA C 55 53.269 53.269 53.528 -0.258 19637 12435 1 16 . 1 1 55 55 GLU CB C 55 34.727 34.727 34.340 0.388 19637 12436 1 16 . 1 1 55 55 GLU H H 55 9.084 9.084 8.772 0.312 19637 12437 1 16 . 1 1 56 56 LEU N N 56 126.739 126.739 121.372 5.367 19637 12438 1 16 . 1 1 56 56 LEU C C 56 174.786 174.786 174.427 0.359 19637 12439 1 16 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.877 -1.944 19637 12440 1 16 . 1 1 56 56 LEU CB C 56 45.022 45.022 46.399 -1.377 19637 12441 1 16 . 1 1 56 56 LEU H H 56 9.168 9.168 8.344 0.824 19637 12442 1 16 . 1 1 57 57 LEU N N 57 127.189 127.189 125.147 2.042 19637 12443 1 16 . 1 1 57 57 LEU C C 57 174.579 174.579 174.525 0.054 19637 12444 1 16 . 1 1 57 57 LEU CA C 57 53.091 53.091 52.733 0.358 19637 12445 1 16 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.735 -2.575 19637 12446 1 16 . 1 1 57 57 LEU H H 57 9.174 9.174 8.785 0.389 19637 12447 1 16 . 1 1 58 58 ALA N N 58 125.061 125.061 125.345 -0.284 19637 12448 1 16 . 1 1 58 58 ALA C C 58 172.925 172.925 174.761 -1.836 19637 12449 1 16 . 1 1 58 58 ALA CA C 58 48.924 48.924 52.236 -3.312 19637 12450 1 16 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.095 -1.016 19637 12451 1 16 . 1 1 58 58 ALA H H 58 9.435 9.435 8.590 0.845 19637 12452 1 16 . 1 1 59 59 ALA N N 59 116.911 116.911 125.143 -8.232 19637 12453 1 16 . 1 1 59 59 ALA C C 59 176.248 176.248 175.747 0.501 19637 12454 1 16 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.340 -2.269 19637 12455 1 16 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.453 -0.794 19637 12456 1 16 . 1 1 59 59 ALA H H 59 6.833 6.833 8.371 -1.538 19637 12457 1 16 . 1 1 60 60 THR N N 60 105.771 105.771 114.153 -8.382 19637 12458 1 16 . 1 1 60 60 THR C C 60 170.975 170.975 173.568 -2.593 19637 12459 1 16 . 1 1 60 60 THR CA C 60 59.515 59.515 62.272 -2.757 19637 12460 1 16 . 1 1 60 60 THR CB C 60 63.487 63.487 69.181 -5.694 19637 12461 1 16 . 1 1 60 60 THR H H 60 7.718 7.718 8.508 -0.790 19637 12462 1 16 . 1 1 62 62 PHE N N 62 122.473 122.473 118.090 4.383 19637 12463 1 16 . 1 1 62 62 PHE C C 62 174.934 174.934 174.796 0.138 19637 12464 1 16 . 1 1 62 62 PHE CA C 62 56.721 56.721 56.687 0.034 19637 12465 1 16 . 1 1 62 62 PHE CB C 62 39.613 39.613 41.989 -2.376 19637 12466 1 16 . 1 1 62 62 PHE H H 62 8.251 8.251 7.259 0.992 19637 12467 1 16 . 1 1 63 63 ARG N N 63 118.016 118.016 122.136 -4.120 19637 12468 1 16 . 1 1 63 63 ARG C C 63 174.423 174.423 175.094 -0.671 19637 12469 1 16 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.038 -1.390 19637 12470 1 16 . 1 1 63 63 ARG CB C 63 31.898 31.898 31.637 0.261 19637 12471 1 16 . 1 1 63 63 ARG H H 63 7.378 7.378 8.520 -1.142 19637 12472 1 16 . 1 1 64 64 HIS N N 64 120.040 120.040 116.306 3.734 19637 12473 1 16 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.041 -3.088 19637 12474 1 16 . 1 1 64 64 HIS H H 64 8.588 8.588 8.152 0.436 19637 12475 1 16 . 1 1 66 66 ILE N N 66 122.668 122.668 123.255 -0.587 19637 12476 1 16 . 1 1 66 66 ILE C C 66 175.141 175.141 176.466 -1.325 19637 12477 1 16 . 1 1 66 66 ILE CA C 66 57.963 57.963 61.596 -3.633 19637 12478 1 16 . 1 1 66 66 ILE CB C 66 38.637 38.637 38.669 -0.032 19637 12479 1 16 . 1 1 66 66 ILE H H 66 8.726 8.726 8.423 0.303 19637 12480 1 16 . 1 1 67 67 GLY N N 67 114.948 114.948 114.101 0.847 19637 12481 1 16 . 1 1 67 67 GLY C C 67 172.570 172.570 173.613 -1.043 19637 12482 1 16 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.000 -0.871 19637 12483 1 16 . 1 1 67 67 GLY H H 67 8.780 8.780 8.378 0.402 19637 12484 1 16 . 1 1 68 68 THR N N 68 106.079 106.079 114.111 -8.032 19637 12485 1 16 . 1 1 68 68 THR C C 68 175.574 175.574 174.097 1.477 19637 12486 1 16 . 1 1 68 68 THR CA C 68 58.672 58.672 61.274 -2.602 19637 12487 1 16 . 1 1 68 68 THR CB C 68 71.270 71.270 70.714 0.556 19637 12488 1 16 . 1 1 68 68 THR H H 68 7.431 7.431 7.654 -0.223 19637 12489 1 16 . 1 1 69 69 ARG N N 69 122.303 122.303 123.720 -1.417 19637 12490 1 16 . 1 1 69 69 ARG C C 69 178.298 178.298 175.957 2.341 19637 12491 1 16 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.304 0.925 19637 12492 1 16 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.124 -1.951 19637 12493 1 16 . 1 1 69 69 ARG H H 69 8.783 8.783 8.816 -0.033 19637 12494 1 16 . 1 1 70 70 ALA N N 70 117.681 117.681 123.614 -5.933 19637 12495 1 16 . 1 1 70 70 ALA C C 70 179.281 179.281 178.375 0.906 19637 12496 1 16 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.504 -1.235 19637 12497 1 16 . 1 1 70 70 ALA CB C 70 17.975 17.975 19.482 -1.507 19637 12498 1 16 . 1 1 70 70 ALA H H 70 8.262 8.262 7.687 0.575 19637 12499 1 16 . 1 1 71 71 THR N N 71 105.486 105.486 108.385 -2.899 19637 12500 1 16 . 1 1 71 71 THR C C 71 176.136 176.136 174.774 1.362 19637 12501 1 16 . 1 1 71 71 THR CA C 71 60.895 60.895 60.951 -0.056 19637 12502 1 16 . 1 1 71 71 THR CB C 71 70.383 70.383 70.118 0.265 19637 12503 1 16 . 1 1 71 71 THR H H 71 7.473 7.473 7.596 -0.123 19637 12504 1 16 . 1 1 72 72 GLY N N 72 111.099 111.099 111.230 -0.131 19637 12505 1 16 . 1 1 72 72 GLY C C 72 175.052 175.052 173.593 1.459 19637 12506 1 16 . 1 1 72 72 GLY CA C 72 44.046 44.046 46.521 -2.475 19637 12507 1 16 . 1 1 72 72 GLY H H 72 8.194 8.194 8.011 0.183 19637 12508 1 16 . 1 1 73 73 ASP N N 73 121.919 121.919 122.760 -0.841 19637 12509 1 16 . 1 1 73 73 ASP C C 73 177.889 177.889 175.427 2.462 19637 12510 1 16 . 1 1 73 73 ASP CA C 73 55.042 55.042 54.770 0.272 19637 12511 1 16 . 1 1 73 73 ASP CB C 73 39.524 39.524 43.542 -4.018 19637 12512 1 16 . 1 1 73 73 ASP H H 73 8.668 8.668 7.881 0.787 19637 12513 1 16 . 1 1 74 74 ILE N N 74 117.113 117.113 119.187 -2.074 19637 12514 1 16 . 1 1 74 74 ILE C C 74 175.013 175.013 173.509 1.504 19637 12515 1 16 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.663 -1.749 19637 12516 1 16 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.973 4.324 19637 12517 1 16 . 1 1 74 74 ILE H H 74 9.327 9.327 8.267 1.060 19637 12518 1 16 . 1 1 75 75 ALA N N 75 121.329 121.329 127.453 -6.124 19637 12519 1 16 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.238 0.187 19637 12520 1 16 . 1 1 75 75 ALA CB C 75 21.523 21.523 22.491 -0.969 19637 12521 1 16 . 1 1 75 75 ALA H H 75 8.086 8.086 8.116 -0.030 19637 12522 1 16 . 1 1 76 76 THR N N 76 116.168 116.168 115.799 0.369 19637 12523 1 16 . 1 1 76 76 THR C C 76 173.043 173.043 173.123 -0.080 19637 12524 1 16 . 1 1 76 76 THR CA C 76 60.540 60.540 61.053 -0.513 19637 12525 1 16 . 1 1 76 76 THR CB C 76 69.674 69.674 68.946 0.728 19637 12526 1 16 . 1 1 76 76 THR H H 76 8.539 8.539 8.021 0.518 19637 12527 1 16 . 1 1 77 77 VAL N N 77 117.996 117.996 119.683 -1.687 19637 12528 1 16 . 1 1 77 77 VAL C C 77 174.964 174.964 173.871 1.093 19637 12529 1 16 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.413 -2.065 19637 12530 1 16 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.860 -0.834 19637 12531 1 16 . 1 1 77 77 VAL H H 77 8.578 8.578 8.057 0.521 19637 12532 1 16 . 1 1 78 78 HIS N N 78 116.541 116.541 119.817 -3.276 19637 12533 1 16 . 1 1 78 78 HIS C C 78 173.634 173.634 174.974 -1.340 19637 12534 1 16 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.003 -2.178 19637 12535 1 16 . 1 1 78 78 HIS CB C 78 29.947 29.947 30.577 -0.630 19637 12536 1 16 . 1 1 78 78 HIS H H 78 7.822 7.822 8.199 -0.377 19637 12537 1 16 . 1 1 79 79 HIS N N 79 113.176 113.176 117.836 -4.660 19637 12538 1 16 . 1 1 79 79 HIS C C 79 173.841 173.841 173.823 0.018 19637 12539 1 16 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.978 -0.562 19637 12540 1 16 . 1 1 79 79 HIS CB C 79 34.026 34.026 30.772 3.254 19637 12541 1 16 . 1 1 79 79 HIS H H 79 7.912 7.912 8.161 -0.249 19637 12542 1 16 . 1 1 80 80 LEU N N 80 118.153 118.153 116.207 1.946 19637 12543 1 16 . 1 1 80 80 LEU C C 80 177.821 177.821 175.190 2.631 19637 12544 1 16 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.412 -1.253 19637 12545 1 16 . 1 1 80 80 LEU CB C 80 46.263 46.263 40.677 5.586 19637 12546 1 16 . 1 1 80 80 LEU H H 80 8.205 8.205 8.447 -0.242 19637 12547 1 16 . 1 1 83 83 THR N N 83 115.326 115.326 113.815 1.511 19637 12548 1 16 . 1 1 83 83 THR C C 83 171.362 171.362 173.954 -2.592 19637 12549 1 16 . 1 1 83 83 THR CA C 83 60.540 60.540 59.803 0.737 19637 12550 1 16 . 1 1 83 83 THR CB C 83 72.068 72.068 72.196 -0.128 19637 12551 1 16 . 1 1 83 83 THR H H 83 7.688 7.688 8.526 -0.838 19637 12552 1 16 . 1 1 84 84 LEU N N 84 129.848 129.848 123.191 6.657 19637 12553 1 16 . 1 1 84 84 LEU C C 84 174.373 174.373 176.287 -1.914 19637 12554 1 16 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.857 -2.436 19637 12555 1 16 . 1 1 84 84 LEU CB C 84 44.756 44.756 43.505 1.251 19637 12556 1 16 . 1 1 84 84 LEU H H 84 9.013 9.013 8.490 0.523 19637 12557 1 16 . 1 1 85 85 MET N N 85 121.374 121.374 121.774 -0.400 19637 12558 1 16 . 1 1 85 85 MET C C 85 175.407 175.407 174.220 1.187 19637 12559 1 16 . 1 1 85 85 MET CA C 85 52.421 52.421 54.558 -2.137 19637 12560 1 16 . 1 1 85 85 MET CB C 85 34.558 34.558 36.260 -1.702 19637 12561 1 16 . 1 1 85 85 MET H H 85 9.823 9.823 9.237 0.586 19637 12562 1 16 . 1 1 86 86 ALA N N 86 123.689 123.689 127.917 -4.228 19637 12563 1 16 . 1 1 86 86 ALA C C 86 176.205 176.205 176.033 0.172 19637 12564 1 16 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.400 -1.595 19637 12565 1 16 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.129 -1.178 19637 12566 1 16 . 1 1 86 86 ALA H H 86 9.080 9.080 8.575 0.505 19637 12567 1 16 . 1 1 87 87 GLN N N 87 116.548 116.548 123.508 -6.960 19637 12568 1 16 . 1 1 87 87 GLN C C 87 175.495 175.495 174.597 0.898 19637 12569 1 16 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.550 -2.192 19637 12570 1 16 . 1 1 87 87 GLN CB C 87 34.292 34.292 31.420 2.872 19637 12571 1 16 . 1 1 87 87 GLN H H 87 9.061 9.061 8.509 0.552 19637 12572 1 16 . 1 1 88 88 TRP N N 88 119.609 119.609 127.885 -8.276 19637 12573 1 16 . 1 1 88 88 TRP C C 88 174.727 174.727 173.189 1.538 19637 12574 1 16 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.022 -1.068 19637 12575 1 16 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.706 -3.227 19637 12576 1 16 . 1 1 88 88 TRP H H 88 8.893 8.893 9.079 -0.186 19637 12577 1 16 . 1 1 89 89 TYR N N 89 124.849 124.849 121.271 3.578 19637 12578 1 16 . 1 1 89 89 TYR C C 89 176.382 176.382 173.886 2.496 19637 12579 1 16 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.698 -0.656 19637 12580 1 16 . 1 1 89 89 TYR H H 89 8.815 8.815 7.278 1.537 19637 12581 1 16 . 1 1 90 90 PHE N N 90 122.137 122.137 127.171 -5.034 19637 12582 1 16 . 1 1 90 90 PHE C C 90 176.304 176.304 175.932 0.372 19637 12583 1 16 . 1 1 90 90 PHE CA C 90 57.821 57.821 56.272 1.549 19637 12584 1 16 . 1 1 90 90 PHE CB C 90 38.460 38.460 37.734 0.726 19637 12585 1 16 . 1 1 90 90 PHE H H 90 9.171 9.171 9.047 0.123 19637 12586 1 16 . 1 1 91 91 GLY N N 91 108.961 108.961 109.552 -0.591 19637 12587 1 16 . 1 1 91 91 GLY C C 91 172.748 172.748 174.427 -1.679 19637 12588 1 16 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.052 -0.721 19637 12589 1 16 . 1 1 91 91 GLY H H 91 9.342 9.342 7.727 1.615 19637 12590 1 16 . 1 1 92 92 ASP N N 92 119.869 119.869 119.786 0.083 19637 12591 1 16 . 1 1 92 92 ASP C C 92 175.968 175.968 176.191 -0.223 19637 12592 1 16 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.683 -3.061 19637 12593 1 16 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.312 -0.749 19637 12594 1 16 . 1 1 92 92 ASP H H 92 8.612 8.612 8.535 0.077 19637 12595 1 16 . 1 1 93 93 ALA N N 93 117.665 117.665 124.047 -6.382 19637 12596 1 16 . 1 1 93 93 ALA C C 93 178.748 178.748 177.074 1.674 19637 12597 1 16 . 1 1 93 93 ALA CA C 93 53.180 53.180 51.742 1.438 19637 12598 1 16 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.715 -3.804 19637 12599 1 16 . 1 1 93 93 ALA H H 93 8.673 8.673 7.818 0.855 19637 12600 1 16 . 1 1 94 94 SER N N 94 115.062 115.062 120.893 -5.831 19637 12601 1 16 . 1 1 94 94 SER C C 94 175.348 175.348 174.285 1.063 19637 12602 1 16 . 1 1 94 94 SER CA C 94 58.185 58.185 57.033 1.152 19637 12603 1 16 . 1 1 94 94 SER CB C 94 62.757 62.757 61.660 1.097 19637 12604 1 16 . 1 1 94 94 SER H H 94 8.902 8.902 8.794 0.108 19637 12605 1 16 . 1 1 95 95 SER N N 95 120.754 120.754 118.780 1.974 19637 12606 1 16 . 1 1 95 95 SER CA C 95 58.451 58.451 60.540 -2.089 19637 12607 1 16 . 1 1 95 95 SER CB C 95 62.580 62.580 63.698 -1.118 19637 12608 1 16 . 1 1 95 95 SER H H 95 7.922 7.922 7.985 -0.063 19637 12609 1 16 . 1 1 96 96 LYS N N 96 120.924 120.924 116.773 4.151 19637 12610 1 16 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.187 -1.588 19637 12611 1 16 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.781 -1.415 19637 12612 1 16 . 1 1 96 96 LYS H H 96 8.555 8.555 8.352 0.203 19637 12613 1 16 . 1 1 97 97 PHE N N 97 117.773 117.773 114.853 2.920 19637 12614 1 16 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.066 -0.377 19637 12615 1 16 . 1 1 97 97 PHE CB C 97 40.322 40.322 41.363 -1.041 19637 12616 1 16 . 1 1 97 97 PHE H H 97 7.596 7.596 7.200 0.396 19637 12617 1 16 . 1 1 98 98 ARG N N 98 120.982 120.982 119.785 1.197 19637 12618 1 16 . 1 1 98 98 ARG C C 98 173.047 173.047 175.228 -2.181 19637 12619 1 16 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.509 -0.038 19637 12620 1 16 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.945 0.687 19637 12621 1 16 . 1 1 98 98 ARG H H 98 8.823 8.823 8.639 0.184 19637 12622 1 16 . 1 1 100 100 TYR N N 100 117.775 117.775 109.101 8.674 19637 12623 1 16 . 1 1 100 100 TYR C C 100 173.047 173.047 173.394 -0.347 19637 12624 1 16 . 1 1 100 100 TYR CA C 100 54.954 54.954 55.851 -0.897 19637 12625 1 16 . 1 1 100 100 TYR CB C 100 39.524 39.524 36.435 3.089 19637 12626 1 16 . 1 1 100 100 TYR H H 100 8.885 8.885 7.534 1.351 19637 12627 1 16 . 1 1 101 101 VAL N N 101 111.744 111.744 122.906 -11.162 19637 12628 1 16 . 1 1 101 101 VAL C C 101 173.457 173.457 175.230 -1.773 19637 12629 1 16 . 1 1 101 101 VAL CA C 101 57.105 57.105 61.901 -4.796 19637 12630 1 16 . 1 1 101 101 VAL CB C 101 34.381 34.381 33.559 0.823 19637 12631 1 16 . 1 1 101 101 VAL H H 101 8.365 8.365 7.625 0.740 19637 12632 1 16 . 1 1 102 102 GLY N N 102 108.300 108.300 113.264 -4.964 19637 12633 1 16 . 1 1 102 102 GLY C C 102 171.241 171.241 171.974 -0.733 19637 12634 1 16 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.899 0.073 19637 12635 1 16 . 1 1 102 102 GLY H H 102 8.271 8.271 8.409 -0.138 19637 12636 1 16 . 1 1 103 103 ALA N N 103 120.836 120.836 121.274 -0.438 19637 12637 1 16 . 1 1 103 103 ALA C C 103 175.614 175.614 175.427 0.187 19637 12638 1 16 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.215 -2.382 19637 12639 1 16 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.537 0.181 19637 12640 1 16 . 1 1 103 103 ALA H H 103 9.048 9.048 8.411 0.637 19637 12641 1 16 . 1 1 104 104 GLY N N 104 107.477 107.477 110.038 -2.561 19637 12642 1 16 . 1 1 104 104 GLY C C 104 171.832 171.832 172.142 -0.310 19637 12643 1 16 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.683 1.796 19637 12644 1 16 . 1 1 104 104 GLY H H 104 8.661 8.661 8.841 -0.180 19637 12645 1 16 . 1 1 105 105 ILE N N 105 118.575 118.575 118.825 -0.250 19637 12646 1 16 . 1 1 105 105 ILE C C 105 172.275 172.275 174.054 -1.779 19637 12647 1 16 . 1 1 105 105 ILE CA C 105 57.348 57.348 61.084 -3.736 19637 12648 1 16 . 1 1 105 105 ILE CB C 105 41.652 41.652 42.400 -0.748 19637 12649 1 16 . 1 1 105 105 ILE H H 105 9.020 9.020 8.701 0.319 19637 12650 1 16 . 1 1 106 106 ASN N N 106 123.879 123.879 125.132 -1.253 19637 12651 1 16 . 1 1 106 106 ASN C C 106 171.418 171.418 173.556 -2.138 19637 12652 1 16 . 1 1 106 106 ASN CA C 106 51.584 51.584 52.468 -0.884 19637 12653 1 16 . 1 1 106 106 ASN CB C 106 40.854 40.854 41.111 -0.257 19637 12654 1 16 . 1 1 106 106 ASN H H 106 9.659 9.659 9.025 0.634 19637 12655 1 16 . 1 1 107 107 TYR N N 107 125.744 125.744 128.685 -2.941 19637 12656 1 16 . 1 1 107 107 TYR C C 107 173.073 173.073 175.422 -2.349 19637 12657 1 16 . 1 1 107 107 TYR CA C 107 54.504 54.504 55.881 -1.377 19637 12658 1 16 . 1 1 107 107 TYR CB C 107 40.854 40.854 41.027 -0.173 19637 12659 1 16 . 1 1 107 107 TYR H H 107 8.273 8.273 8.705 -0.432 19637 12660 1 16 . 1 1 108 108 THR N N 108 119.337 119.337 120.077 -0.740 19637 12661 1 16 . 1 1 108 108 THR C C 108 172.457 172.457 173.854 -1.397 19637 12662 1 16 . 1 1 108 108 THR CA C 108 60.452 60.452 60.260 0.192 19637 12663 1 16 . 1 1 108 108 THR CB C 108 69.319 69.319 71.217 -1.898 19637 12664 1 16 . 1 1 108 108 THR H H 108 8.446 8.446 9.188 -0.742 19637 12665 1 16 . 1 1 109 109 THR N N 109 118.655 118.655 117.062 1.593 19637 12666 1 16 . 1 1 109 109 THR C C 109 171.625 171.625 172.979 -1.354 19637 12667 1 16 . 1 1 109 109 THR CA C 109 56.810 56.810 61.585 -4.775 19637 12668 1 16 . 1 1 109 109 THR H H 109 7.548 7.548 8.313 -0.765 19637 12669 1 16 . 1 1 112 112 ASP N N 112 116.796 116.796 123.883 -7.087 19637 12670 1 16 . 1 1 112 112 ASP C C 112 175.490 175.490 176.437 -0.947 19637 12671 1 16 . 1 1 112 112 ASP CA C 112 53.884 53.884 56.653 -2.769 19637 12672 1 16 . 1 1 112 112 ASP CB C 112 37.662 37.662 41.267 -3.605 19637 12673 1 16 . 1 1 112 112 ASP H H 112 8.995 8.995 8.618 0.377 19637 12674 1 16 . 1 1 113 113 ASN N N 113 117.801 117.801 112.056 5.745 19637 12675 1 16 . 1 1 113 113 ASN C C 113 175.702 175.702 175.429 0.273 19637 12676 1 16 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.692 -2.956 19637 12677 1 16 . 1 1 113 113 ASN CB C 113 39.348 39.348 39.880 -0.532 19637 12678 1 16 . 1 1 113 113 ASN H H 113 8.410 8.410 7.899 0.511 19637 12679 1 16 . 1 1 114 114 GLY N N 114 107.744 107.744 107.397 0.347 19637 12680 1 16 . 1 1 114 114 GLY C C 114 171.979 171.979 173.055 -1.076 19637 12681 1 16 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.934 -0.140 19637 12682 1 16 . 1 1 114 114 GLY H H 114 8.557 8.557 8.198 0.359 19637 12683 1 16 . 1 1 115 115 PHE N N 115 119.554 119.554 122.685 -3.131 19637 12684 1 16 . 1 1 115 115 PHE C C 115 176.192 176.192 173.971 2.221 19637 12685 1 16 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.341 -0.851 19637 12686 1 16 . 1 1 115 115 PHE CB C 115 39.081 39.081 39.477 -0.396 19637 12687 1 16 . 1 1 115 115 PHE H H 115 8.607 8.607 8.466 0.141 19637 12688 1 16 . 1 1 116 116 ASN N N 116 120.356 120.356 117.935 2.421 19637 12689 1 16 . 1 1 116 116 ASN C C 116 175.407 175.407 175.441 -0.034 19637 12690 1 16 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.443 -2.372 19637 12691 1 16 . 1 1 116 116 ASN CB C 116 37.041 37.041 39.612 -2.571 19637 12692 1 16 . 1 1 116 116 ASN H H 116 8.240 8.240 8.252 -0.012 19637 12693 1 16 . 1 1 117 117 ASP N N 117 117.610 117.610 120.214 -2.604 19637 12694 1 16 . 1 1 117 117 ASP C C 117 178.298 178.298 178.215 0.083 19637 12695 1 16 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.096 -0.749 19637 12696 1 16 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.449 -1.901 19637 12697 1 16 . 1 1 117 117 ASP H H 117 8.460 8.460 8.915 -0.455 19637 12698 1 16 . 1 1 118 118 HIS N N 118 118.493 118.493 117.997 0.496 19637 12699 1 16 . 1 1 118 118 HIS C C 118 177.821 177.821 177.670 0.151 19637 12700 1 16 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.892 -2.126 19637 12701 1 16 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.344 -3.617 19637 12702 1 16 . 1 1 118 118 HIS H H 118 8.185 8.185 8.389 -0.204 19637 12703 1 16 . 1 1 119 119 GLY N N 119 107.937 107.937 107.604 0.333 19637 12704 1 16 . 1 1 119 119 GLY C C 119 175.082 175.082 176.304 -1.222 19637 12705 1 16 . 1 1 119 119 GLY CA C 119 46.612 46.612 47.210 -0.598 19637 12706 1 16 . 1 1 119 119 GLY H H 119 8.788 8.788 9.003 -0.215 19637 12707 1 16 . 1 1 120 120 LYS N N 120 122.898 122.898 123.258 -0.360 19637 12708 1 16 . 1 1 120 120 LYS C C 120 181.612 181.612 179.537 2.075 19637 12709 1 16 . 1 1 120 120 LYS CA C 120 58.717 58.717 58.911 -0.194 19637 12710 1 16 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.519 -1.863 19637 12711 1 16 . 1 1 120 120 LYS H H 120 8.890 8.890 8.605 0.285 19637 12712 1 16 . 1 1 121 121 GLU N N 121 120.995 120.995 118.902 2.093 19637 12713 1 16 . 1 1 121 121 GLU C C 121 177.327 177.327 176.962 0.365 19637 12714 1 16 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.380 -0.727 19637 12715 1 16 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.545 -1.815 19637 12716 1 16 . 1 1 121 121 GLU H H 121 8.234 8.234 7.885 0.349 19637 12717 1 16 . 1 1 122 122 ALA N N 122 119.811 119.811 120.048 -0.237 19637 12718 1 16 . 1 1 122 122 ALA C C 122 176.500 176.500 177.500 -1.000 19637 12719 1 16 . 1 1 122 122 ALA CA C 122 51.042 51.042 52.026 -0.985 19637 12720 1 16 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.848 -3.138 19637 12721 1 16 . 1 1 122 122 ALA H H 122 7.259 7.259 7.521 -0.262 19637 12722 1 16 . 1 1 123 123 GLY N N 123 103.863 103.863 106.215 -2.352 19637 12723 1 16 . 1 1 123 123 GLY C C 123 175.082 175.082 173.506 1.576 19637 12724 1 16 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.893 -0.629 19637 12725 1 16 . 1 1 123 123 GLY H H 123 7.745 7.745 7.731 0.014 19637 12726 1 16 . 1 1 124 124 LEU N N 124 123.722 123.722 121.001 2.721 19637 12727 1 16 . 1 1 124 124 LEU C C 124 176.293 176.293 176.546 -0.253 19637 12728 1 16 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.320 -1.051 19637 12729 1 16 . 1 1 124 124 LEU CB C 124 38.016 38.016 41.184 -3.167 19637 12730 1 16 . 1 1 124 124 LEU H H 124 7.461 7.461 7.897 -0.436 19637 12731 1 16 . 1 1 125 125 SER N N 125 114.112 114.112 119.655 -5.543 19637 12732 1 16 . 1 1 125 125 SER C C 125 173.250 173.250 173.430 -0.180 19637 12733 1 16 . 1 1 125 125 SER CA C 125 57.259 57.259 57.923 -0.664 19637 12734 1 16 . 1 1 125 125 SER CB C 125 65.684 65.684 64.681 1.003 19637 12735 1 16 . 1 1 125 125 SER H H 125 8.809 8.809 8.161 0.648 19637 12736 1 16 . 1 1 126 126 ASP N N 126 117.817 117.817 125.688 -7.871 19637 12737 1 16 . 1 1 126 126 ASP C C 126 174.107 174.107 176.060 -1.953 19637 12738 1 16 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.460 0.133 19637 12739 1 16 . 1 1 126 126 ASP CB C 126 38.726 38.726 39.925 -1.199 19637 12740 1 16 . 1 1 126 126 ASP H H 126 9.035 9.035 8.665 0.370 19637 12741 1 16 . 1 1 127 127 LEU N N 127 120.160 120.160 125.569 -5.409 19637 12742 1 16 . 1 1 127 127 LEU C C 127 176.726 176.726 177.418 -0.692 19637 12743 1 16 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.970 -1.599 19637 12744 1 16 . 1 1 127 127 LEU CB C 127 40.322 40.322 43.124 -2.802 19637 12745 1 16 . 1 1 127 127 LEU H H 127 8.109 8.109 8.466 -0.357 19637 12746 1 16 . 1 1 128 128 SER N N 128 120.909 120.909 108.855 12.054 19637 12747 1 16 . 1 1 128 128 SER C C 128 172.038 172.038 172.270 -0.232 19637 12748 1 16 . 1 1 128 128 SER CA C 128 57.120 57.120 57.811 -0.691 19637 12749 1 16 . 1 1 128 128 SER CB C 128 64.353 64.353 64.542 -0.189 19637 12750 1 16 . 1 1 128 128 SER H H 128 9.499 9.499 8.071 1.428 19637 12751 1 16 . 1 1 129 129 LEU N N 129 122.260 122.260 119.654 2.606 19637 12752 1 16 . 1 1 129 129 LEU C C 129 176.411 176.411 174.853 1.558 19637 12753 1 16 . 1 1 129 129 LEU CA C 129 53.839 53.839 54.747 -0.908 19637 12754 1 16 . 1 1 129 129 LEU CB C 129 42.539 42.539 45.533 -2.994 19637 12755 1 16 . 1 1 129 129 LEU H H 129 8.182 8.182 7.509 0.673 19637 12756 1 16 . 1 1 130 130 LYS N N 130 122.490 122.490 117.383 5.107 19637 12757 1 16 . 1 1 130 130 LYS C C 130 176.754 176.754 174.785 1.969 19637 12758 1 16 . 1 1 130 130 LYS CA C 130 55.042 55.042 57.506 -2.464 19637 12759 1 16 . 1 1 130 130 LYS CB C 130 32.518 32.518 32.147 0.371 19637 12760 1 16 . 1 1 130 130 LYS H H 130 7.536 7.536 8.553 -1.017 19637 12761 1 16 . 1 1 131 131 ASP N N 131 123.217 123.217 119.991 3.226 19637 12762 1 16 . 1 1 131 131 ASP C C 131 175.998 175.998 174.475 1.523 19637 12763 1 16 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.114 -0.654 19637 12764 1 16 . 1 1 131 131 ASP CB C 131 40.233 40.233 39.721 0.512 19637 12765 1 16 . 1 1 131 131 ASP H H 131 8.782 8.782 8.141 0.641 19637 12766 1 16 . 1 1 132 132 SER N N 132 115.445 115.445 114.157 1.288 19637 12767 1 16 . 1 1 132 132 SER C C 132 171.920 171.920 172.356 -0.436 19637 12768 1 16 . 1 1 132 132 SER CA C 132 55.790 55.790 57.406 -1.615 19637 12769 1 16 . 1 1 132 132 SER CB C 132 64.087 64.087 66.332 -2.245 19637 12770 1 16 . 1 1 132 132 SER H H 132 9.016 9.016 8.460 0.556 19637 12771 1 16 . 1 1 133 133 TRP N N 133 124.389 124.389 120.132 4.257 19637 12772 1 16 . 1 1 133 133 TRP C C 133 178.243 178.243 175.600 2.643 19637 12773 1 16 . 1 1 133 133 TRP CA C 133 55.309 55.309 55.296 0.013 19637 12774 1 16 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.753 -0.352 19637 12775 1 16 . 1 1 133 133 TRP H H 133 7.896 7.896 7.232 0.664 19637 12776 1 16 . 1 1 134 134 GLY N N 134 107.658 107.658 108.140 -0.482 19637 12777 1 16 . 1 1 134 134 GLY C C 134 171.123 171.123 172.132 -1.009 19637 12778 1 16 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.926 -0.176 19637 12779 1 16 . 1 1 134 134 GLY H H 134 8.896 8.896 8.186 0.710 19637 12780 1 16 . 1 1 135 135 ALA N N 135 122.244 122.244 123.937 -1.693 19637 12781 1 16 . 1 1 135 135 ALA C C 135 174.875 174.875 176.822 -1.947 19637 12782 1 16 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.595 -0.454 19637 12783 1 16 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.390 -1.084 19637 12784 1 16 . 1 1 135 135 ALA H H 135 8.946 8.946 8.498 0.448 19637 12785 1 16 . 1 1 136 136 ALA N N 136 118.579 118.579 122.888 -4.309 19637 12786 1 16 . 1 1 136 136 ALA C C 136 175.434 175.434 175.471 -0.037 19637 12787 1 16 . 1 1 136 136 ALA CA C 136 49.494 49.494 52.359 -2.865 19637 12788 1 16 . 1 1 136 136 ALA CB C 136 23.207 23.207 22.612 0.595 19637 12789 1 16 . 1 1 136 136 ALA H H 136 8.111 8.111 8.119 -0.008 19637 12790 1 16 . 1 1 137 137 GLY N N 137 105.005 105.005 109.343 -4.338 19637 12791 1 16 . 1 1 137 137 GLY C C 137 171.300 171.300 172.886 -1.586 19637 12792 1 16 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.385 -1.202 19637 12793 1 16 . 1 1 137 137 GLY H H 137 8.933 8.933 8.335 0.598 19637 12794 1 16 . 1 1 138 138 GLN N N 138 115.695 115.695 122.160 -6.465 19637 12795 1 16 . 1 1 138 138 GLN CA C 138 53.263 53.263 52.977 0.286 19637 12796 1 16 . 1 1 138 138 GLN H H 138 8.559 8.559 7.827 0.732 19637 12797 1 16 . 1 1 140 140 GLY N N 140 110.307 110.307 114.229 -3.922 19637 12798 1 16 . 1 1 140 140 GLY C C 140 171.329 171.329 172.334 -1.005 19637 12799 1 16 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.173 0.444 19637 12800 1 16 . 1 1 140 140 GLY H H 140 7.936 7.936 8.422 -0.486 19637 12801 1 16 . 1 1 141 141 VAL N N 141 112.233 112.233 125.548 -13.315 19637 12802 1 16 . 1 1 141 141 VAL C C 141 171.979 171.979 173.763 -1.784 19637 12803 1 16 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.074 -0.160 19637 12804 1 16 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.747 -1.810 19637 12805 1 16 . 1 1 141 141 VAL H H 141 8.646 8.646 8.147 0.499 19637 12806 1 16 . 1 1 142 142 ASP N N 142 122.520 122.520 128.526 -6.006 19637 12807 1 16 . 1 1 142 142 ASP C C 142 175.259 175.259 174.311 0.948 19637 12808 1 16 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.745 -1.034 19637 12809 1 16 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.829 -1.049 19637 12810 1 16 . 1 1 142 142 ASP H H 142 7.402 7.402 8.685 -1.283 19637 12811 1 16 . 1 1 143 143 TYR N N 143 122.331 122.331 125.178 -2.847 19637 12812 1 16 . 1 1 143 143 TYR C C 143 173.870 173.870 174.473 -0.603 19637 12813 1 16 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.691 -1.743 19637 12814 1 16 . 1 1 143 143 TYR CB C 143 40.765 40.765 40.724 0.041 19637 12815 1 16 . 1 1 143 143 TYR H H 143 9.396 9.396 8.114 1.282 19637 12816 1 16 . 1 1 144 144 LEU N N 144 130.341 130.341 125.415 4.926 19637 12817 1 16 . 1 1 144 144 LEU C C 144 174.786 174.786 176.477 -1.691 19637 12818 1 16 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.001 0.523 19637 12819 1 16 . 1 1 144 144 LEU CB C 144 40.677 40.677 40.528 0.149 19637 12820 1 16 . 1 1 144 144 LEU H H 144 8.313 8.313 8.504 -0.191 19637 12821 1 16 . 1 1 145 145 ILE N N 145 124.602 124.602 122.944 1.658 19637 12822 1 16 . 1 1 145 145 ILE C C 145 177.593 177.593 175.698 1.895 19637 12823 1 16 . 1 1 145 145 ILE CA C 145 60.097 60.097 63.823 -3.726 19637 12824 1 16 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.330 -1.466 19637 12825 1 16 . 1 1 145 145 ILE H H 145 8.809 8.809 8.318 0.491 19637 12826 1 16 . 1 1 146 146 ASN N N 146 118.348 118.348 115.892 2.456 19637 12827 1 16 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.462 -1.144 19637 12828 1 16 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.932 -3.980 19637 12829 1 16 . 1 1 146 146 ASN H H 146 8.362 8.362 8.057 0.305 19637 12830 1 16 . 1 1 147 147 ARG N N 147 113.940 113.940 118.683 -4.743 19637 12831 1 16 . 1 1 147 147 ARG C C 147 176.470 176.470 175.377 1.093 19637 12832 1 16 . 1 1 147 147 ARG CA C 147 58.584 58.584 56.724 1.859 19637 12833 1 16 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.782 -2.077 19637 12834 1 16 . 1 1 147 147 ARG H H 147 8.072 8.072 8.482 -0.410 19637 12835 1 16 . 1 1 148 148 ASP N N 148 112.938 112.938 116.626 -3.688 19637 12836 1 16 . 1 1 148 148 ASP C C 148 174.373 174.373 173.909 0.464 19637 12837 1 16 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.233 0.094 19637 12838 1 16 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.566 1.062 19637 12839 1 16 . 1 1 148 148 ASP H H 148 7.668 7.668 8.034 -0.366 19637 12840 1 16 . 1 1 149 149 TRP N N 149 116.148 116.148 114.963 1.185 19637 12841 1 16 . 1 1 149 149 TRP C C 149 175.574 175.574 173.641 1.933 19637 12842 1 16 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.418 0.068 19637 12843 1 16 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.606 2.114 19637 12844 1 16 . 1 1 149 149 TRP H H 149 7.788 7.788 7.327 0.461 19637 12845 1 16 . 1 1 150 150 LEU N N 150 118.106 118.106 117.797 0.309 19637 12846 1 16 . 1 1 150 150 LEU C C 150 175.141 175.141 175.473 -0.332 19637 12847 1 16 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.192 -1.037 19637 12848 1 16 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.963 -0.562 19637 12849 1 16 . 1 1 150 150 LEU H H 150 9.306 9.306 8.588 0.718 19637 12850 1 16 . 1 1 151 151 VAL N N 151 115.211 115.211 116.921 -1.710 19637 12851 1 16 . 1 1 151 151 VAL C C 151 173.524 173.524 174.032 -0.508 19637 12852 1 16 . 1 1 151 151 VAL CA C 151 59.299 59.299 62.404 -3.105 19637 12853 1 16 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.522 -0.673 19637 12854 1 16 . 1 1 151 151 VAL H H 151 9.293 9.293 8.533 0.760 19637 12855 1 16 . 1 1 152 152 ASN N N 152 124.526 124.526 126.219 -1.693 19637 12856 1 16 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.697 -1.942 19637 12857 1 16 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.216 0.412 19637 12858 1 16 . 1 1 152 152 ASN H H 152 8.893 8.893 8.978 -0.085 19637 12859 1 16 . 1 1 153 153 MET N N 153 118.533 118.533 116.407 2.126 19637 12860 1 16 . 1 1 153 153 MET C C 153 173.987 173.987 173.875 0.112 19637 12861 1 16 . 1 1 153 153 MET CA C 153 54.017 54.017 55.035 -1.018 19637 12862 1 16 . 1 1 153 153 MET CB C 153 36.243 36.243 37.217 -0.973 19637 12863 1 16 . 1 1 153 153 MET H H 153 8.003 8.003 8.140 -0.137 19637 12864 1 16 . 1 1 154 154 SER N N 154 113.225 113.225 114.837 -1.612 19637 12865 1 16 . 1 1 154 154 SER C C 154 172.120 172.120 172.810 -0.690 19637 12866 1 16 . 1 1 154 154 SER CA C 154 56.550 56.550 58.073 -1.523 19637 12867 1 16 . 1 1 154 154 SER CB C 154 64.619 64.619 64.467 0.152 19637 12868 1 16 . 1 1 154 154 SER H H 154 9.191 9.191 8.698 0.493 19637 12869 1 16 . 1 1 155 155 VAL N N 155 119.543 119.543 122.727 -3.184 19637 12870 1 16 . 1 1 155 155 VAL C C 155 173.973 173.973 175.468 -1.495 19637 12871 1 16 . 1 1 155 155 VAL CA C 155 59.382 59.382 61.377 -1.996 19637 12872 1 16 . 1 1 155 155 VAL H H 155 9.190 9.190 8.115 1.075 19637 12873 1 16 . 1 1 156 156 TRP N N 156 124.596 124.596 125.906 -1.310 19637 12874 1 16 . 1 1 156 156 TRP C C 156 175.237 175.237 176.025 -0.788 19637 12875 1 16 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.436 -4.173 19637 12876 1 16 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.604 2.624 19637 12877 1 16 . 1 1 156 156 TRP H H 156 9.883 9.883 8.942 0.941 19637 12878 1 16 . 1 1 160 160 ILE N N 160 123.211 123.211 113.786 9.425 19637 12879 1 16 . 1 1 160 160 ILE C C 160 173.545 173.545 174.495 -0.950 19637 12880 1 16 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.809 0.460 19637 12881 1 16 . 1 1 160 160 ILE H H 160 7.948 7.948 8.070 -0.122 19637 12882 1 16 . 1 1 161 161 ASP N N 161 128.357 128.357 124.369 3.988 19637 12883 1 16 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.391 -1.970 19637 12884 1 16 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.253 0.577 19637 12885 1 16 . 1 1 161 161 ASP H H 161 8.302 8.302 8.468 -0.166 19637 12886 1 16 . 1 1 162 162 THR N N 162 117.472 117.472 119.494 -2.022 19637 12887 1 16 . 1 1 162 162 THR CA C 162 57.259 57.259 61.447 -4.189 19637 12888 1 16 . 1 1 162 162 THR CB C 162 68.167 68.167 71.581 -3.414 19637 12889 1 16 . 1 1 162 162 THR H H 162 8.788 8.788 8.279 0.509 19637 12890 1 16 . 1 1 163 163 THR N N 163 120.189 120.189 120.356 -0.167 19637 12891 1 16 . 1 1 163 163 THR CA C 163 60.629 60.629 60.293 0.336 19637 12892 1 16 . 1 1 163 163 THR CB C 163 68.278 68.278 70.985 -2.707 19637 12893 1 16 . 1 1 163 163 THR H H 163 8.429 8.429 8.407 0.022 19637 12894 1 16 . 1 1 164 164 ALA N N 164 127.991 127.991 123.305 4.686 19637 12895 1 16 . 1 1 164 164 ALA C C 164 174.993 174.993 175.381 -0.388 19637 12896 1 16 . 1 1 164 164 ALA CA C 164 49.190 49.190 51.107 -1.917 19637 12897 1 16 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.479 -2.528 19637 12898 1 16 . 1 1 164 164 ALA H H 164 9.428 9.428 8.720 0.708 19637 12899 1 16 . 1 1 165 165 ASN N N 165 122.214 122.214 124.340 -2.126 19637 12900 1 16 . 1 1 165 165 ASN C C 165 173.047 173.047 173.390 -0.343 19637 12901 1 16 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.669 -1.528 19637 12902 1 16 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.294 -0.238 19637 12903 1 16 . 1 1 165 165 ASN H H 165 9.216 9.216 8.386 0.830 19637 12904 1 16 . 1 1 166 166 TYR N N 166 116.330 116.330 124.822 -8.492 19637 12905 1 16 . 1 1 166 166 TYR C C 166 172.260 172.260 173.449 -1.189 19637 12906 1 16 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.612 -2.215 19637 12907 1 16 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.863 -3.201 19637 12908 1 16 . 1 1 166 166 TYR H H 166 7.816 7.816 8.223 -0.407 19637 12909 1 16 . 1 1 167 167 LYS N N 167 117.734 117.734 124.484 -6.750 19637 12910 1 16 . 1 1 167 167 LYS C C 167 174.760 174.760 174.060 0.700 19637 12911 1 16 . 1 1 167 167 LYS CA C 167 53.751 53.751 53.611 0.140 19637 12912 1 16 . 1 1 167 167 LYS CB C 167 34.381 34.381 36.816 -2.435 19637 12913 1 16 . 1 1 167 167 LYS H H 167 9.100 9.100 8.430 0.670 19637 12914 1 16 . 1 1 168 168 LEU N N 168 121.623 121.623 117.868 3.755 19637 12915 1 16 . 1 1 168 168 LEU C C 168 177.877 177.877 177.503 0.374 19637 12916 1 16 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.781 -1.272 19637 12917 1 16 . 1 1 168 168 LEU CB C 168 42.894 42.894 45.393 -2.499 19637 12918 1 16 . 1 1 168 168 LEU H H 168 8.372 8.372 8.464 -0.092 19637 12919 1 16 . 1 1 169 169 GLY N N 169 119.264 119.264 108.876 10.388 19637 12920 1 16 . 1 1 169 169 GLY C C 169 175.602 175.602 174.990 0.612 19637 12921 1 16 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.391 0.866 19637 12922 1 16 . 1 1 169 169 GLY H H 169 9.603 9.603 8.766 0.837 19637 12923 1 16 . 1 1 170 170 GLY N N 170 104.659 104.659 106.502 -1.843 19637 12924 1 16 . 1 1 170 170 GLY C C 170 172.570 172.570 174.124 -1.554 19637 12925 1 16 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.658 -0.618 19637 12926 1 16 . 1 1 170 170 GLY H H 170 8.381 8.381 8.062 0.319 19637 12927 1 16 . 1 1 171 171 ALA N N 171 123.570 123.570 122.024 1.546 19637 12928 1 16 . 1 1 171 171 ALA C C 171 177.569 177.569 176.154 1.415 19637 12929 1 16 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.065 -1.172 19637 12930 1 16 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.844 -2.514 19637 12931 1 16 . 1 1 171 171 ALA H H 171 7.650 7.650 7.645 0.005 19637 12932 1 16 . 1 1 172 172 GLN N N 172 124.057 124.057 119.693 4.364 19637 12933 1 16 . 1 1 172 172 GLN C C 172 174.869 174.869 175.208 -0.339 19637 12934 1 16 . 1 1 172 172 GLN CA C 172 56.018 56.018 54.678 1.340 19637 12935 1 16 . 1 1 172 172 GLN CB C 172 28.173 28.173 29.432 -1.259 19637 12936 1 16 . 1 1 172 172 GLN H H 172 8.840 8.840 8.543 0.297 19637 12937 1 16 . 1 1 173 173 GLN N N 173 124.328 124.328 124.891 -0.563 19637 12938 1 16 . 1 1 173 173 GLN C C 173 174.953 174.953 174.405 0.548 19637 12939 1 16 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.909 -3.754 19637 12940 1 16 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.030 -0.615 19637 12941 1 16 . 1 1 173 173 GLN H H 173 9.023 9.023 8.785 0.238 19637 12942 1 16 . 1 1 174 174 HIS N N 174 115.629 115.629 113.918 1.711 19637 12943 1 16 . 1 1 174 174 HIS C C 174 173.103 173.103 172.669 0.434 19637 12944 1 16 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.977 -1.531 19637 12945 1 16 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.479 -0.798 19637 12946 1 16 . 1 1 174 174 HIS H H 174 8.227 8.227 8.156 0.071 19637 12947 1 16 . 1 1 175 175 ASP N N 175 120.615 120.615 124.343 -3.728 19637 12948 1 16 . 1 1 175 175 ASP C C 175 175.013 175.013 174.794 0.219 19637 12949 1 16 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.707 -0.976 19637 12950 1 16 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.811 1.300 19637 12951 1 16 . 1 1 175 175 ASP H H 175 8.964 8.964 8.464 0.500 19637 12952 1 16 . 1 1 176 176 SER N N 176 118.175 118.175 120.201 -2.026 19637 12953 1 16 . 1 1 176 176 SER C C 176 173.496 173.496 174.492 -0.996 19637 12954 1 16 . 1 1 176 176 SER CA C 176 57.697 57.697 56.870 0.827 19637 12955 1 16 . 1 1 176 176 SER CB C 176 62.757 62.757 63.965 -1.208 19637 12956 1 16 . 1 1 176 176 SER H H 176 9.137 9.137 8.730 0.407 19637 12957 1 16 . 1 1 177 177 VAL N N 177 123.737 123.737 127.938 -4.201 19637 12958 1 16 . 1 1 177 177 VAL C C 177 173.398 173.398 175.408 -2.010 19637 12959 1 16 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.745 -2.468 19637 12960 1 16 . 1 1 177 177 VAL CB C 177 32.518 32.518 30.304 2.214 19637 12961 1 16 . 1 1 177 177 VAL H H 177 8.492 8.492 8.403 0.089 19637 12962 1 16 . 1 1 178 178 ARG N N 178 127.628 127.628 125.307 2.321 19637 12963 1 16 . 1 1 178 178 ARG C C 178 175.097 175.097 176.258 -1.161 19637 12964 1 16 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.127 -1.110 19637 12965 1 16 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.035 -1.886 19637 12966 1 16 . 1 1 178 178 ARG H H 178 8.513 8.513 7.728 0.785 19637 12967 1 16 . 1 1 182 182 TRP N N 182 115.616 115.616 124.863 -9.247 19637 12968 1 16 . 1 1 182 182 TRP C C 182 176.613 176.613 176.186 0.427 19637 12969 1 16 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.022 -1.794 19637 12970 1 16 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.185 1.624 19637 12971 1 16 . 1 1 182 182 TRP H H 182 7.491 7.491 8.159 -0.668 19637 12972 1 16 . 1 1 183 183 VAL N N 183 121.618 121.618 123.948 -2.330 19637 12973 1 16 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.689 -2.061 19637 12974 1 16 . 1 1 183 183 VAL CB C 183 32.696 32.696 33.571 -0.875 19637 12975 1 16 . 1 1 183 183 VAL H H 183 9.372 9.372 8.464 0.908 19637 12976 1 16 . 1 1 185 185 MET N N 185 129.032 129.032 124.779 4.253 19637 12977 1 16 . 1 1 185 185 MET C C 185 172.186 172.186 174.120 -1.934 19637 12978 1 16 . 1 1 185 185 MET CA C 185 53.091 53.091 54.824 -1.733 19637 12979 1 16 . 1 1 185 185 MET CB C 185 33.405 33.405 34.768 -1.363 19637 12980 1 16 . 1 1 185 185 MET H H 185 9.615 9.615 8.888 0.727 19637 12981 1 16 . 1 1 186 186 PHE N N 186 124.085 124.085 121.606 2.479 19637 12982 1 16 . 1 1 186 186 PHE C C 186 174.816 174.816 173.812 1.004 19637 12983 1 16 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.732 -0.601 19637 12984 1 16 . 1 1 186 186 PHE CB C 186 40.588 40.588 42.417 -1.829 19637 12985 1 16 . 1 1 186 186 PHE H H 186 7.976 7.976 8.384 -0.408 19637 12986 1 16 . 1 1 187 187 SER N N 187 116.369 116.369 114.576 1.793 19637 12987 1 16 . 1 1 187 187 SER C C 187 171.305 171.305 173.062 -1.757 19637 12988 1 16 . 1 1 187 187 SER CA C 187 57.348 57.348 57.902 -0.554 19637 12989 1 16 . 1 1 187 187 SER CB C 187 66.127 66.127 66.400 -0.273 19637 12990 1 16 . 1 1 187 187 SER H H 187 9.355 9.355 8.825 0.530 19637 12991 1 16 . 1 1 188 188 ALA N N 188 119.248 119.248 123.945 -4.697 19637 12992 1 16 . 1 1 188 188 ALA C C 188 175.996 175.996 177.042 -1.046 19637 12993 1 16 . 1 1 188 188 ALA CA C 188 49.085 49.085 51.686 -2.601 19637 12994 1 16 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.256 0.823 19637 12995 1 16 . 1 1 188 188 ALA H H 188 8.300 8.300 8.611 -0.311 19637 12996 1 16 . 1 1 189 189 GLY N N 189 104.914 104.914 106.136 -1.222 19637 12997 1 16 . 1 1 189 189 GLY C C 189 170.650 170.650 172.960 -2.310 19637 12998 1 16 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.374 -1.328 19637 12999 1 16 . 1 1 189 189 GLY H H 189 9.235 9.235 8.034 1.201 19637 13000 1 16 . 1 1 190 190 TYR N N 190 121.149 121.149 124.210 -3.061 19637 13001 1 16 . 1 1 190 190 TYR C C 190 173.608 173.608 174.258 -0.650 19637 13002 1 16 . 1 1 190 190 TYR CA C 190 55.131 55.131 57.330 -2.199 19637 13003 1 16 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.617 -1.255 19637 13004 1 16 . 1 1 190 190 TYR H H 190 8.865 8.865 9.422 -0.557 19637 13005 1 16 . 1 1 191 191 ARG N N 191 125.697 125.697 122.175 3.522 19637 13006 1 16 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.460 -2.931 19637 13007 1 16 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.586 -0.639 19637 13008 1 16 . 1 1 191 191 ARG H H 191 7.469 7.469 8.422 -0.953 19637 13009 1 17 . 1 1 2 2 HIS N N 2 119.214 119.214 115.044 4.170 19637 13010 1 17 . 1 1 2 2 HIS C C 2 171.081 171.081 173.188 -2.107 19637 13011 1 17 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.363 -4.075 19637 13012 1 17 . 1 1 2 2 HIS CB C 2 23.296 23.296 31.095 -7.799 19637 13013 1 17 . 1 1 2 2 HIS H H 2 8.422 8.422 7.736 0.686 19637 13014 1 17 . 1 1 3 3 GLU N N 3 113.500 113.500 123.218 -9.718 19637 13015 1 17 . 1 1 3 3 GLU C C 3 174.619 174.619 176.109 -1.490 19637 13016 1 17 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.963 -2.301 19637 13017 1 17 . 1 1 3 3 GLU CB C 3 29.415 29.415 30.711 -1.296 19637 13018 1 17 . 1 1 3 3 GLU H H 3 6.642 6.642 8.307 -1.665 19637 13019 1 17 . 1 1 4 4 ALA N N 4 120.680 120.680 122.942 -2.262 19637 13020 1 17 . 1 1 4 4 ALA C C 4 178.439 178.439 178.143 0.296 19637 13021 1 17 . 1 1 4 4 ALA CA C 4 52.376 52.376 54.096 -1.720 19637 13022 1 17 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.921 -1.478 19637 13023 1 17 . 1 1 4 4 ALA H H 4 8.701 8.701 8.268 0.433 19637 13024 1 17 . 1 1 5 5 GLY N N 5 112.786 112.786 105.284 7.502 19637 13025 1 17 . 1 1 5 5 GLY C C 5 173.309 173.309 173.092 0.217 19637 13026 1 17 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.179 -0.626 19637 13027 1 17 . 1 1 5 5 GLY H H 5 9.294 9.294 7.682 1.612 19637 13028 1 17 . 1 1 6 6 GLU N N 6 121.755 121.755 120.521 1.234 19637 13029 1 17 . 1 1 6 6 GLU C C 6 173.693 173.693 174.252 -0.559 19637 13030 1 17 . 1 1 6 6 GLU CA C 6 56.018 56.018 54.844 1.174 19637 13031 1 17 . 1 1 6 6 GLU CB C 6 31.188 31.188 32.090 -0.902 19637 13032 1 17 . 1 1 6 6 GLU H H 6 7.955 7.955 7.202 0.753 19637 13033 1 17 . 1 1 7 7 PHE N N 7 124.802 124.802 122.862 1.940 19637 13034 1 17 . 1 1 7 7 PHE C C 7 174.039 174.039 174.194 -0.155 19637 13035 1 17 . 1 1 7 7 PHE CA C 7 54.333 54.333 54.624 -0.291 19637 13036 1 17 . 1 1 7 7 PHE CB C 7 41.741 41.741 39.445 2.296 19637 13037 1 17 . 1 1 7 7 PHE H H 7 8.648 8.648 7.990 0.658 19637 13038 1 17 . 1 1 8 8 PHE N N 8 121.132 121.132 121.523 -0.391 19637 13039 1 17 . 1 1 8 8 PHE C C 8 171.861 171.861 173.961 -2.100 19637 13040 1 17 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.472 -1.923 19637 13041 1 17 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.574 -3.897 19637 13042 1 17 . 1 1 8 8 PHE H H 8 8.574 8.574 9.120 -0.546 19637 13043 1 17 . 1 1 9 9 MET N N 9 120.391 120.391 115.786 4.605 19637 13044 1 17 . 1 1 9 9 MET C C 9 174.166 174.166 174.417 -0.251 19637 13045 1 17 . 1 1 9 9 MET CA C 9 52.199 52.199 55.145 -2.946 19637 13046 1 17 . 1 1 9 9 MET CB C 9 37.307 37.307 36.603 0.704 19637 13047 1 17 . 1 1 9 9 MET H H 9 8.541 8.541 8.933 -0.392 19637 13048 1 17 . 1 1 10 10 ARG N N 10 117.892 117.892 121.490 -3.598 19637 13049 1 17 . 1 1 10 10 ARG C C 10 175.289 175.289 173.627 1.662 19637 13050 1 17 . 1 1 10 10 ARG CA C 10 53.446 53.446 55.307 -1.861 19637 13051 1 17 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.768 -3.402 19637 13052 1 17 . 1 1 10 10 ARG H H 10 8.357 8.357 8.960 -0.603 19637 13053 1 17 . 1 1 11 11 ALA N N 11 119.664 119.664 120.904 -1.240 19637 13054 1 17 . 1 1 11 11 ALA C C 11 176.057 176.057 177.045 -0.988 19637 13055 1 17 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.171 -1.539 19637 13056 1 17 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.266 1.252 19637 13057 1 17 . 1 1 11 11 ALA H H 11 9.154 9.154 8.222 0.932 19637 13058 1 17 . 1 1 12 12 GLY N N 12 106.262 106.262 107.834 -1.572 19637 13059 1 17 . 1 1 12 12 GLY C C 12 172.068 172.068 172.507 -0.439 19637 13060 1 17 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.468 0.681 19637 13061 1 17 . 1 1 12 12 GLY H H 12 8.655 8.655 8.330 0.325 19637 13062 1 17 . 1 1 13 13 SER N N 13 116.893 116.893 118.650 -1.757 19637 13063 1 17 . 1 1 13 13 SER C C 13 173.604 173.604 172.898 0.706 19637 13064 1 17 . 1 1 13 13 SER CA C 13 56.367 56.367 57.514 -1.147 19637 13065 1 17 . 1 1 13 13 SER CB C 13 64.087 64.087 64.881 -0.794 19637 13066 1 17 . 1 1 13 13 SER H H 13 8.644 8.644 8.334 0.310 19637 13067 1 17 . 1 1 14 14 ALA N N 14 125.234 125.234 128.177 -2.943 19637 13068 1 17 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.073 -1.446 19637 13069 1 17 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.663 -1.333 19637 13070 1 17 . 1 1 14 14 ALA H H 14 9.120 9.120 8.059 1.061 19637 13071 1 17 . 1 1 15 15 THR N N 15 121.303 121.303 121.143 0.160 19637 13072 1 17 . 1 1 15 15 THR C C 15 175.230 175.230 173.836 1.394 19637 13073 1 17 . 1 1 15 15 THR CA C 15 60.895 60.895 62.406 -1.511 19637 13074 1 17 . 1 1 15 15 THR CB C 15 70.029 70.029 69.939 0.090 19637 13075 1 17 . 1 1 15 15 THR H H 15 9.351 9.351 8.604 0.747 19637 13076 1 17 . 1 1 16 16 VAL N N 16 126.781 126.781 127.287 -0.506 19637 13077 1 17 . 1 1 16 16 VAL C C 16 174.432 174.432 174.345 0.087 19637 13078 1 17 . 1 1 16 16 VAL CA C 16 60.806 60.806 59.693 1.113 19637 13079 1 17 . 1 1 16 16 VAL CB C 16 30.922 30.922 34.759 -3.837 19637 13080 1 17 . 1 1 16 16 VAL H H 16 9.110 9.110 8.241 0.869 19637 13081 1 17 . 1 1 17 17 ARG N N 17 129.806 129.806 129.644 0.162 19637 13082 1 17 . 1 1 17 17 ARG C C 17 173.440 173.440 174.903 -1.463 19637 13083 1 17 . 1 1 17 17 ARG CA C 17 51.407 51.407 53.197 -1.790 19637 13084 1 17 . 1 1 17 17 ARG CB C 17 30.302 30.302 29.747 0.555 19637 13085 1 17 . 1 1 17 17 ARG H H 17 9.325 9.325 8.502 0.823 19637 13086 1 17 . 1 1 19 19 THR N N 19 114.402 114.402 114.476 -0.074 19637 13087 1 17 . 1 1 19 19 THR CA C 19 61.022 61.022 61.920 -0.898 19637 13088 1 17 . 1 1 19 19 THR CB C 19 69.142 69.142 70.722 -1.581 19637 13089 1 17 . 1 1 19 19 THR H H 19 8.021 8.021 8.246 -0.225 19637 13090 1 17 . 1 1 20 20 GLU N N 20 123.598 123.598 119.886 3.712 19637 13091 1 17 . 1 1 20 20 GLU C C 20 177.007 177.007 174.889 2.118 19637 13092 1 17 . 1 1 20 20 GLU CA C 20 55.480 55.480 58.032 -2.552 19637 13093 1 17 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.924 -1.130 19637 13094 1 17 . 1 1 20 20 GLU H H 20 8.601 8.601 8.692 -0.091 19637 13095 1 17 . 1 1 21 21 GLY N N 21 110.237 110.237 108.673 1.564 19637 13096 1 17 . 1 1 21 21 GLY C C 21 174.077 174.077 173.081 0.996 19637 13097 1 17 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.043 -0.382 19637 13098 1 17 . 1 1 21 21 GLY H H 21 8.530 8.530 8.494 0.036 19637 13099 1 17 . 1 1 22 22 ALA N N 22 123.476 123.476 124.268 -0.792 19637 13100 1 17 . 1 1 22 22 ALA C C 22 178.158 178.158 176.226 1.932 19637 13101 1 17 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.242 0.513 19637 13102 1 17 . 1 1 22 22 ALA CB C 22 17.778 17.778 18.804 -1.026 19637 13103 1 17 . 1 1 22 22 ALA H H 22 8.279 8.279 8.561 -0.282 19637 13104 1 17 . 1 1 23 23 GLY N N 23 107.265 107.265 108.105 -0.840 19637 13105 1 17 . 1 1 23 23 GLY C C 23 174.727 174.727 175.283 -0.556 19637 13106 1 17 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.189 -0.749 19637 13107 1 17 . 1 1 23 23 GLY H H 23 8.452 8.452 8.186 0.266 19637 13108 1 17 . 1 1 24 24 GLY N N 24 108.306 108.306 108.690 -0.384 19637 13109 1 17 . 1 1 24 24 GLY C C 24 174.786 174.786 174.341 0.445 19637 13110 1 17 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.776 -1.336 19637 13111 1 17 . 1 1 24 24 GLY H H 24 8.221 8.221 8.046 0.175 19637 13112 1 17 . 1 1 25 25 THR N N 25 114.381 114.381 113.335 1.046 19637 13113 1 17 . 1 1 25 25 THR C C 25 175.170 175.170 174.468 0.702 19637 13114 1 17 . 1 1 25 25 THR CA C 25 61.599 61.599 63.166 -1.567 19637 13115 1 17 . 1 1 25 25 THR CB C 25 68.521 68.521 70.059 -1.538 19637 13116 1 17 . 1 1 25 25 THR H H 25 8.213 8.213 8.514 -0.301 19637 13117 1 17 . 1 1 26 26 LEU N N 26 123.038 123.038 121.519 1.519 19637 13118 1 17 . 1 1 26 26 LEU C C 26 177.918 177.918 175.819 2.099 19637 13119 1 17 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.448 -0.766 19637 13120 1 17 . 1 1 26 26 LEU CB C 26 40.145 40.145 43.219 -3.074 19637 13121 1 17 . 1 1 26 26 LEU H H 26 8.425 8.425 8.216 0.209 19637 13122 1 17 . 1 1 27 27 GLY N N 27 108.786 108.786 111.988 -3.202 19637 13123 1 17 . 1 1 27 27 GLY C C 27 175.023 175.023 174.007 1.016 19637 13124 1 17 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.289 0.550 19637 13125 1 17 . 1 1 27 27 GLY H H 27 8.260 8.260 8.135 0.125 19637 13126 1 17 . 1 1 28 28 SER N N 28 116.175 116.175 115.630 0.545 19637 13127 1 17 . 1 1 28 28 SER CA C 28 58.140 58.140 60.201 -2.061 19637 13128 1 17 . 1 1 28 28 SER CB C 28 62.846 62.846 63.451 -0.605 19637 13129 1 17 . 1 1 28 28 SER H H 28 8.330 8.330 8.217 0.113 19637 13130 1 17 . 1 1 29 29 LEU N N 29 122.260 122.260 119.150 3.110 19637 13131 1 17 . 1 1 29 29 LEU C C 29 177.512 177.512 177.965 -0.453 19637 13132 1 17 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.493 -1.077 19637 13133 1 17 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.518 -2.196 19637 13134 1 17 . 1 1 29 29 LEU H H 29 8.157 8.157 7.688 0.469 19637 13135 1 17 . 1 1 30 30 GLY N N 30 107.575 107.575 104.321 3.254 19637 13136 1 17 . 1 1 30 30 GLY C C 30 174.225 174.225 173.741 0.484 19637 13137 1 17 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.816 -0.287 19637 13138 1 17 . 1 1 30 30 GLY H H 30 8.144 8.144 8.590 -0.446 19637 13139 1 17 . 1 1 31 31 GLY N N 31 107.996 107.996 106.718 1.278 19637 13140 1 17 . 1 1 31 31 GLY C C 31 173.664 173.664 172.094 1.570 19637 13141 1 17 . 1 1 31 31 GLY CA C 31 44.218 44.218 45.133 -0.915 19637 13142 1 17 . 1 1 31 31 GLY H H 31 8.044 8.044 7.701 0.343 19637 13143 1 17 . 1 1 32 32 PHE N N 32 119.248 119.248 118.464 0.784 19637 13144 1 17 . 1 1 32 32 PHE C C 32 175.495 175.495 175.348 0.147 19637 13145 1 17 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.365 -0.992 19637 13146 1 17 . 1 1 32 32 PHE CB C 32 39.258 39.258 42.971 -3.713 19637 13147 1 17 . 1 1 32 32 PHE H H 32 8.181 8.181 8.409 -0.228 19637 13148 1 17 . 1 1 33 33 SER N N 33 117.720 117.720 117.539 0.181 19637 13149 1 17 . 1 1 33 33 SER C C 33 173.368 173.368 174.355 -0.987 19637 13150 1 17 . 1 1 33 33 SER CA C 33 55.746 55.746 57.703 -1.957 19637 13151 1 17 . 1 1 33 33 SER CB C 33 64.265 64.265 64.541 -0.276 19637 13152 1 17 . 1 1 33 33 SER H H 33 8.771 8.771 8.008 0.763 19637 13153 1 17 . 1 1 34 34 VAL N N 34 123.007 123.007 115.908 7.099 19637 13154 1 17 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.823 -2.397 19637 13155 1 17 . 1 1 34 34 VAL CB C 34 32.785 32.785 32.277 0.508 19637 13156 1 17 . 1 1 34 34 VAL H H 34 8.525 8.525 8.317 0.208 19637 13157 1 17 . 1 1 35 35 THR N N 35 115.459 115.459 119.134 -3.675 19637 13158 1 17 . 1 1 35 35 THR CA C 35 61.200 61.200 62.830 -1.630 19637 13159 1 17 . 1 1 35 35 THR CB C 35 69.851 69.851 69.301 0.550 19637 13160 1 17 . 1 1 35 35 THR H H 35 8.147 8.147 8.006 0.141 19637 13161 1 17 . 1 1 36 36 ASN N N 36 118.274 118.274 124.139 -5.865 19637 13162 1 17 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.390 -1.983 19637 13163 1 17 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.274 -1.169 19637 13164 1 17 . 1 1 36 36 ASN H H 36 8.719 8.719 8.542 0.177 19637 13165 1 17 . 1 1 37 37 ASN N N 37 115.657 115.657 119.363 -3.706 19637 13166 1 17 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.575 2.290 19637 13167 1 17 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.199 3.113 19637 13168 1 17 . 1 1 37 37 ASN H H 37 8.432 8.432 8.269 0.163 19637 13169 1 17 . 1 1 38 38 THR N N 38 122.444 122.444 116.107 6.337 19637 13170 1 17 . 1 1 38 38 THR CA C 38 61.288 61.288 61.350 -0.062 19637 13171 1 17 . 1 1 38 38 THR CB C 38 69.142 69.142 70.219 -1.077 19637 13172 1 17 . 1 1 38 38 THR H H 38 8.095 8.095 8.302 -0.207 19637 13173 1 17 . 1 1 40 40 LEU N N 40 120.457 120.457 114.582 5.875 19637 13174 1 17 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.802 -0.475 19637 13175 1 17 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.637 -2.419 19637 13176 1 17 . 1 1 40 40 LEU H H 40 6.902 6.902 8.458 -1.556 19637 13177 1 17 . 1 1 41 41 GLY N N 41 111.223 111.223 109.883 1.340 19637 13178 1 17 . 1 1 41 41 GLY C C 41 171.034 171.034 172.347 -1.313 19637 13179 1 17 . 1 1 41 41 GLY CA C 41 42.843 42.843 45.377 -2.534 19637 13180 1 17 . 1 1 41 41 GLY H H 41 8.978 8.978 8.598 0.380 19637 13181 1 17 . 1 1 42 42 LEU N N 42 122.123 122.123 121.556 0.567 19637 13182 1 17 . 1 1 42 42 LEU C C 42 175.350 175.350 175.508 -0.158 19637 13183 1 17 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.791 -1.636 19637 13184 1 17 . 1 1 42 42 LEU CB C 42 45.377 45.377 44.415 0.962 19637 13185 1 17 . 1 1 42 42 LEU H H 42 8.679 8.679 8.227 0.452 19637 13186 1 17 . 1 1 43 43 THR N N 43 109.917 109.917 111.440 -1.523 19637 13187 1 17 . 1 1 43 43 THR C C 43 173.516 173.516 173.711 -0.195 19637 13188 1 17 . 1 1 43 43 THR CA C 43 58.057 58.057 60.717 -2.659 19637 13189 1 17 . 1 1 43 43 THR CB C 43 70.029 70.029 71.494 -1.465 19637 13190 1 17 . 1 1 43 43 THR H H 43 8.792 8.792 8.718 0.074 19637 13191 1 17 . 1 1 44 44 PHE N N 44 118.699 118.699 123.454 -4.755 19637 13192 1 17 . 1 1 44 44 PHE C C 44 173.917 173.917 175.237 -1.320 19637 13193 1 17 . 1 1 44 44 PHE CA C 44 55.480 55.480 57.381 -1.901 19637 13194 1 17 . 1 1 44 44 PHE CB C 44 40.765 40.765 43.034 -2.269 19637 13195 1 17 . 1 1 44 44 PHE H H 44 8.566 8.566 9.045 -0.479 19637 13196 1 17 . 1 1 45 45 THR N N 45 118.229 118.229 117.687 0.542 19637 13197 1 17 . 1 1 45 45 THR C C 45 170.886 170.886 173.059 -2.173 19637 13198 1 17 . 1 1 45 45 THR CA C 45 60.097 60.097 62.410 -2.313 19637 13199 1 17 . 1 1 45 45 THR CB C 45 68.433 68.433 70.762 -2.329 19637 13200 1 17 . 1 1 45 45 THR H H 45 7.903 7.903 9.158 -1.255 19637 13201 1 17 . 1 1 46 46 TYR N N 46 124.450 124.450 127.808 -3.358 19637 13202 1 17 . 1 1 46 46 TYR C C 46 174.254 174.254 173.756 0.498 19637 13203 1 17 . 1 1 46 46 TYR CA C 46 54.150 54.150 57.593 -3.443 19637 13204 1 17 . 1 1 46 46 TYR CB C 46 42.273 42.273 43.081 -0.808 19637 13205 1 17 . 1 1 46 46 TYR H H 46 8.941 8.941 9.427 -0.486 19637 13206 1 17 . 1 1 47 47 MET N N 47 123.598 123.598 126.409 -2.811 19637 13207 1 17 . 1 1 47 47 MET C C 47 175.082 175.082 174.227 0.855 19637 13208 1 17 . 1 1 47 47 MET CA C 47 50.425 50.425 54.181 -3.756 19637 13209 1 17 . 1 1 47 47 MET CB C 47 26.222 26.222 34.590 -8.368 19637 13210 1 17 . 1 1 47 47 MET H H 47 7.798 7.798 9.245 -1.447 19637 13211 1 17 . 1 1 48 48 ALA N N 48 129.975 129.975 127.425 2.550 19637 13212 1 17 . 1 1 48 48 ALA C C 48 178.568 178.568 177.005 1.563 19637 13213 1 17 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.582 -0.277 19637 13214 1 17 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.079 -1.367 19637 13215 1 17 . 1 1 48 48 ALA H H 48 8.717 8.717 8.658 0.059 19637 13216 1 17 . 1 1 49 49 THR N N 49 106.011 106.011 114.163 -8.152 19637 13217 1 17 . 1 1 49 49 THR C C 49 171.950 171.950 173.676 -1.726 19637 13218 1 17 . 1 1 49 49 THR CA C 49 57.786 57.786 63.339 -5.553 19637 13219 1 17 . 1 1 49 49 THR CB C 49 70.535 70.535 67.837 2.698 19637 13220 1 17 . 1 1 49 49 THR H H 49 8.072 8.072 8.595 -0.523 19637 13221 1 17 . 1 1 50 50 ASP N N 50 114.062 114.062 119.895 -5.833 19637 13222 1 17 . 1 1 50 50 ASP C C 50 175.318 175.318 174.994 0.324 19637 13223 1 17 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.266 0.510 19637 13224 1 17 . 1 1 50 50 ASP CB C 50 39.790 39.790 39.873 -0.083 19637 13225 1 17 . 1 1 50 50 ASP H H 50 8.390 8.390 7.677 0.713 19637 13226 1 17 . 1 1 51 51 ASN N N 51 111.850 111.850 116.787 -4.937 19637 13227 1 17 . 1 1 51 51 ASN C C 51 171.684 171.684 174.023 -2.339 19637 13228 1 17 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.549 -0.133 19637 13229 1 17 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.775 2.458 19637 13230 1 17 . 1 1 51 51 ASN H H 51 7.887 7.887 8.251 -0.364 19637 13231 1 17 . 1 1 52 52 ILE N N 52 118.929 118.929 109.663 9.266 19637 13232 1 17 . 1 1 52 52 ILE C C 52 175.495 175.495 174.253 1.242 19637 13233 1 17 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.202 0.446 19637 13234 1 17 . 1 1 52 52 ILE CB C 52 37.484 37.484 41.247 -3.763 19637 13235 1 17 . 1 1 52 52 ILE H H 52 7.707 7.707 7.252 0.455 19637 13236 1 17 . 1 1 53 53 GLY N N 53 114.998 114.998 108.677 6.321 19637 13237 1 17 . 1 1 53 53 GLY C C 53 171.536 171.536 172.305 -0.769 19637 13238 1 17 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.822 -0.890 19637 13239 1 17 . 1 1 53 53 GLY H H 53 8.678 8.678 8.335 0.343 19637 13240 1 17 . 1 1 54 54 VAL N N 54 118.327 118.327 123.539 -5.212 19637 13241 1 17 . 1 1 54 54 VAL C C 54 173.309 173.309 173.948 -0.639 19637 13242 1 17 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.000 -0.352 19637 13243 1 17 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.448 -1.575 19637 13244 1 17 . 1 1 54 54 VAL H H 54 8.734 8.734 9.108 -0.374 19637 13245 1 17 . 1 1 55 55 GLU N N 55 126.907 126.907 128.724 -1.817 19637 13246 1 17 . 1 1 55 55 GLU C C 55 173.575 173.575 174.564 -0.989 19637 13247 1 17 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.766 -1.497 19637 13248 1 17 . 1 1 55 55 GLU CB C 55 34.727 34.727 34.011 0.716 19637 13249 1 17 . 1 1 55 55 GLU H H 55 9.084 9.084 9.022 0.062 19637 13250 1 17 . 1 1 56 56 LEU N N 56 126.739 126.739 124.389 2.350 19637 13251 1 17 . 1 1 56 56 LEU C C 56 174.786 174.786 175.160 -0.374 19637 13252 1 17 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.697 -1.764 19637 13253 1 17 . 1 1 56 56 LEU CB C 56 45.022 45.022 44.958 0.064 19637 13254 1 17 . 1 1 56 56 LEU H H 56 9.168 9.168 8.495 0.673 19637 13255 1 17 . 1 1 57 57 LEU N N 57 127.189 127.189 128.508 -1.319 19637 13256 1 17 . 1 1 57 57 LEU C C 57 174.579 174.579 175.132 -0.553 19637 13257 1 17 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.172 -1.081 19637 13258 1 17 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.384 -1.224 19637 13259 1 17 . 1 1 57 57 LEU H H 57 9.174 9.174 8.402 0.772 19637 13260 1 17 . 1 1 58 58 ALA N N 58 125.061 125.061 126.444 -1.383 19637 13261 1 17 . 1 1 58 58 ALA C C 58 172.925 172.925 175.282 -2.357 19637 13262 1 17 . 1 1 58 58 ALA CA C 58 48.924 48.924 51.426 -2.502 19637 13263 1 17 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.538 -1.458 19637 13264 1 17 . 1 1 58 58 ALA H H 58 9.435 9.435 8.683 0.752 19637 13265 1 17 . 1 1 59 59 ALA N N 59 116.911 116.911 124.141 -7.230 19637 13266 1 17 . 1 1 59 59 ALA C C 59 176.248 176.248 175.940 0.308 19637 13267 1 17 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.681 -1.610 19637 13268 1 17 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.630 -0.971 19637 13269 1 17 . 1 1 59 59 ALA H H 59 6.833 6.833 8.044 -1.211 19637 13270 1 17 . 1 1 60 60 THR N N 60 105.771 105.771 112.555 -6.784 19637 13271 1 17 . 1 1 60 60 THR C C 60 170.975 170.975 174.540 -3.565 19637 13272 1 17 . 1 1 60 60 THR CA C 60 59.515 59.515 60.616 -1.101 19637 13273 1 17 . 1 1 60 60 THR CB C 60 63.487 63.487 68.418 -4.931 19637 13274 1 17 . 1 1 60 60 THR H H 60 7.718 7.718 8.370 -0.652 19637 13275 1 17 . 1 1 62 62 PHE N N 62 122.473 122.473 117.041 5.432 19637 13276 1 17 . 1 1 62 62 PHE C C 62 174.934 174.934 174.549 0.385 19637 13277 1 17 . 1 1 62 62 PHE CA C 62 56.721 56.721 55.962 0.759 19637 13278 1 17 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.201 -0.588 19637 13279 1 17 . 1 1 62 62 PHE H H 62 8.251 8.251 7.446 0.805 19637 13280 1 17 . 1 1 63 63 ARG N N 63 118.016 118.016 119.374 -1.358 19637 13281 1 17 . 1 1 63 63 ARG C C 63 174.423 174.423 174.760 -0.337 19637 13282 1 17 . 1 1 63 63 ARG CA C 63 52.648 52.648 53.262 -0.614 19637 13283 1 17 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.259 -1.361 19637 13284 1 17 . 1 1 63 63 ARG H H 63 7.378 7.378 8.376 -0.998 19637 13285 1 17 . 1 1 64 64 HIS N N 64 120.040 120.040 117.927 2.113 19637 13286 1 17 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.226 -3.273 19637 13287 1 17 . 1 1 64 64 HIS H H 64 8.588 8.588 8.096 0.492 19637 13288 1 17 . 1 1 66 66 ILE N N 66 122.668 122.668 115.433 7.235 19637 13289 1 17 . 1 1 66 66 ILE C C 66 175.141 175.141 175.411 -0.270 19637 13290 1 17 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.973 -2.010 19637 13291 1 17 . 1 1 66 66 ILE CB C 66 38.637 38.637 40.661 -2.024 19637 13292 1 17 . 1 1 66 66 ILE H H 66 8.726 8.726 8.407 0.319 19637 13293 1 17 . 1 1 67 67 GLY N N 67 114.948 114.948 108.134 6.814 19637 13294 1 17 . 1 1 67 67 GLY C C 67 172.570 172.570 173.420 -0.850 19637 13295 1 17 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.149 -1.020 19637 13296 1 17 . 1 1 67 67 GLY H H 67 8.780 8.780 7.819 0.961 19637 13297 1 17 . 1 1 68 68 THR N N 68 106.079 106.079 113.204 -7.125 19637 13298 1 17 . 1 1 68 68 THR C C 68 175.574 175.574 175.383 0.191 19637 13299 1 17 . 1 1 68 68 THR CA C 68 58.672 58.672 61.206 -2.534 19637 13300 1 17 . 1 1 68 68 THR CB C 68 71.270 71.270 70.055 1.215 19637 13301 1 17 . 1 1 68 68 THR H H 68 7.431 7.431 8.376 -0.945 19637 13302 1 17 . 1 1 69 69 ARG N N 69 122.303 122.303 122.449 -0.146 19637 13303 1 17 . 1 1 69 69 ARG C C 69 178.298 178.298 177.138 1.160 19637 13304 1 17 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.903 0.326 19637 13305 1 17 . 1 1 69 69 ARG CB C 69 28.173 28.173 29.812 -1.639 19637 13306 1 17 . 1 1 69 69 ARG H H 69 8.783 8.783 8.564 0.219 19637 13307 1 17 . 1 1 70 70 ALA N N 70 117.681 117.681 120.996 -3.315 19637 13308 1 17 . 1 1 70 70 ALA C C 70 179.281 179.281 178.775 0.506 19637 13309 1 17 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.583 -1.314 19637 13310 1 17 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.881 -0.906 19637 13311 1 17 . 1 1 70 70 ALA H H 70 8.262 8.262 7.527 0.735 19637 13312 1 17 . 1 1 71 71 THR N N 71 105.486 105.486 108.529 -3.043 19637 13313 1 17 . 1 1 71 71 THR C C 71 176.136 176.136 176.058 0.078 19637 13314 1 17 . 1 1 71 71 THR CA C 71 60.895 60.895 62.127 -1.232 19637 13315 1 17 . 1 1 71 71 THR CB C 71 70.383 70.383 71.482 -1.099 19637 13316 1 17 . 1 1 71 71 THR H H 71 7.473 7.473 7.550 -0.077 19637 13317 1 17 . 1 1 72 72 GLY N N 72 111.099 111.099 113.037 -1.938 19637 13318 1 17 . 1 1 72 72 GLY C C 72 175.052 175.052 172.404 2.648 19637 13319 1 17 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.119 -1.073 19637 13320 1 17 . 1 1 72 72 GLY H H 72 8.194 8.194 8.438 -0.244 19637 13321 1 17 . 1 1 73 73 ASP N N 73 121.919 121.919 115.638 6.281 19637 13322 1 17 . 1 1 73 73 ASP C C 73 177.889 177.889 174.403 3.486 19637 13323 1 17 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.638 1.405 19637 13324 1 17 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.394 -2.870 19637 13325 1 17 . 1 1 73 73 ASP H H 73 8.668 8.668 7.450 1.218 19637 13326 1 17 . 1 1 74 74 ILE N N 74 117.113 117.113 120.932 -3.819 19637 13327 1 17 . 1 1 74 74 ILE C C 74 175.013 175.013 174.329 0.684 19637 13328 1 17 . 1 1 74 74 ILE CA C 74 59.914 59.914 60.589 -0.675 19637 13329 1 17 . 1 1 74 74 ILE CB C 74 41.297 41.297 40.818 0.479 19637 13330 1 17 . 1 1 74 74 ILE H H 74 9.327 9.327 8.502 0.825 19637 13331 1 17 . 1 1 75 75 ALA N N 75 121.329 121.329 123.331 -2.002 19637 13332 1 17 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.948 -0.523 19637 13333 1 17 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.752 0.771 19637 13334 1 17 . 1 1 75 75 ALA H H 75 8.086 8.086 7.230 0.856 19637 13335 1 17 . 1 1 76 76 THR N N 76 116.168 116.168 119.673 -3.505 19637 13336 1 17 . 1 1 76 76 THR C C 76 173.043 173.043 173.102 -0.059 19637 13337 1 17 . 1 1 76 76 THR CA C 76 60.540 60.540 61.840 -1.300 19637 13338 1 17 . 1 1 76 76 THR CB C 76 69.674 69.674 69.069 0.605 19637 13339 1 17 . 1 1 76 76 THR H H 76 8.539 8.539 8.357 0.182 19637 13340 1 17 . 1 1 77 77 VAL N N 77 117.996 117.996 126.959 -8.963 19637 13341 1 17 . 1 1 77 77 VAL C C 77 174.964 174.964 174.102 0.862 19637 13342 1 17 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.314 -1.966 19637 13343 1 17 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.198 -0.172 19637 13344 1 17 . 1 1 77 77 VAL H H 77 8.578 8.578 8.430 0.148 19637 13345 1 17 . 1 1 78 78 HIS N N 78 116.541 116.541 127.340 -10.799 19637 13346 1 17 . 1 1 78 78 HIS C C 78 173.634 173.634 174.362 -0.728 19637 13347 1 17 . 1 1 78 78 HIS CA C 78 52.825 52.825 54.830 -2.005 19637 13348 1 17 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.907 -1.960 19637 13349 1 17 . 1 1 78 78 HIS H H 78 7.822 7.822 8.377 -0.555 19637 13350 1 17 . 1 1 79 79 HIS N N 79 113.176 113.176 120.417 -7.241 19637 13351 1 17 . 1 1 79 79 HIS C C 79 173.841 173.841 173.393 0.448 19637 13352 1 17 . 1 1 79 79 HIS CA C 79 54.416 54.416 53.758 0.658 19637 13353 1 17 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.767 2.259 19637 13354 1 17 . 1 1 79 79 HIS H H 79 7.912 7.912 8.087 -0.175 19637 13355 1 17 . 1 1 80 80 LEU N N 80 118.153 118.153 121.659 -3.506 19637 13356 1 17 . 1 1 80 80 LEU C C 80 177.821 177.821 175.949 1.872 19637 13357 1 17 . 1 1 80 80 LEU CA C 80 50.159 50.159 52.167 -2.008 19637 13358 1 17 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.814 2.449 19637 13359 1 17 . 1 1 80 80 LEU H H 80 8.205 8.205 8.709 -0.504 19637 13360 1 17 . 1 1 83 83 THR N N 83 115.326 115.326 119.745 -4.419 19637 13361 1 17 . 1 1 83 83 THR C C 83 171.362 171.362 173.284 -1.922 19637 13362 1 17 . 1 1 83 83 THR CA C 83 60.540 60.540 61.645 -1.105 19637 13363 1 17 . 1 1 83 83 THR CB C 83 72.068 72.068 72.017 0.051 19637 13364 1 17 . 1 1 83 83 THR H H 83 7.688 7.688 8.684 -0.996 19637 13365 1 17 . 1 1 84 84 LEU N N 84 129.848 129.848 127.320 2.528 19637 13366 1 17 . 1 1 84 84 LEU C C 84 174.373 174.373 174.841 -0.468 19637 13367 1 17 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.130 -1.709 19637 13368 1 17 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.959 -0.203 19637 13369 1 17 . 1 1 84 84 LEU H H 84 9.013 9.013 8.361 0.652 19637 13370 1 17 . 1 1 85 85 MET N N 85 121.374 121.374 122.349 -0.975 19637 13371 1 17 . 1 1 85 85 MET C C 85 175.407 175.407 174.315 1.092 19637 13372 1 17 . 1 1 85 85 MET CA C 85 52.421 52.421 53.802 -1.381 19637 13373 1 17 . 1 1 85 85 MET CB C 85 34.558 34.558 36.812 -2.254 19637 13374 1 17 . 1 1 85 85 MET H H 85 9.823 9.823 9.239 0.584 19637 13375 1 17 . 1 1 86 86 ALA N N 86 123.689 123.689 123.523 0.166 19637 13376 1 17 . 1 1 86 86 ALA C C 86 176.205 176.205 176.315 -0.110 19637 13377 1 17 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.904 -1.099 19637 13378 1 17 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.321 -2.370 19637 13379 1 17 . 1 1 86 86 ALA H H 86 9.080 9.080 8.472 0.608 19637 13380 1 17 . 1 1 87 87 GLN N N 87 116.548 116.548 122.563 -6.015 19637 13381 1 17 . 1 1 87 87 GLN C C 87 175.495 175.495 173.832 1.663 19637 13382 1 17 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.178 -0.820 19637 13383 1 17 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.360 1.932 19637 13384 1 17 . 1 1 87 87 GLN H H 87 9.061 9.061 9.002 0.059 19637 13385 1 17 . 1 1 88 88 TRP N N 88 119.609 119.609 123.006 -3.397 19637 13386 1 17 . 1 1 88 88 TRP C C 88 174.727 174.727 173.299 1.428 19637 13387 1 17 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.508 -1.554 19637 13388 1 17 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.722 -1.243 19637 13389 1 17 . 1 1 88 88 TRP H H 88 8.893 8.893 8.730 0.163 19637 13390 1 17 . 1 1 89 89 TYR N N 89 124.849 124.849 121.388 3.461 19637 13391 1 17 . 1 1 89 89 TYR C C 89 176.382 176.382 173.197 3.185 19637 13392 1 17 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.439 -0.397 19637 13393 1 17 . 1 1 89 89 TYR H H 89 8.815 8.815 7.604 1.211 19637 13394 1 17 . 1 1 90 90 PHE N N 90 122.137 122.137 118.606 3.531 19637 13395 1 17 . 1 1 90 90 PHE C C 90 176.304 176.304 174.176 2.128 19637 13396 1 17 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.049 0.772 19637 13397 1 17 . 1 1 90 90 PHE CB C 90 38.460 38.460 41.927 -3.467 19637 13398 1 17 . 1 1 90 90 PHE H H 90 9.171 9.171 8.374 0.797 19637 13399 1 17 . 1 1 91 91 GLY N N 91 108.961 108.961 108.303 0.658 19637 13400 1 17 . 1 1 91 91 GLY C C 91 172.748 172.748 172.686 0.062 19637 13401 1 17 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.133 -0.802 19637 13402 1 17 . 1 1 91 91 GLY H H 91 9.342 9.342 7.496 1.846 19637 13403 1 17 . 1 1 92 92 ASP N N 92 119.869 119.869 120.331 -0.462 19637 13404 1 17 . 1 1 92 92 ASP C C 92 175.968 175.968 176.237 -0.269 19637 13405 1 17 . 1 1 92 92 ASP CA C 92 51.622 51.622 55.687 -4.065 19637 13406 1 17 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.080 -0.517 19637 13407 1 17 . 1 1 92 92 ASP H H 92 8.612 8.612 8.205 0.407 19637 13408 1 17 . 1 1 93 93 ALA N N 93 117.665 117.665 120.033 -2.368 19637 13409 1 17 . 1 1 93 93 ALA C C 93 178.748 178.748 175.608 3.140 19637 13410 1 17 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.403 0.777 19637 13411 1 17 . 1 1 93 93 ALA CB C 93 16.911 16.911 20.070 -3.159 19637 13412 1 17 . 1 1 93 93 ALA H H 93 8.673 8.673 8.001 0.672 19637 13413 1 17 . 1 1 94 94 SER N N 94 115.062 115.062 113.284 1.778 19637 13414 1 17 . 1 1 94 94 SER C C 94 175.348 175.348 173.807 1.541 19637 13415 1 17 . 1 1 94 94 SER CA C 94 58.185 58.185 58.461 -0.276 19637 13416 1 17 . 1 1 94 94 SER CB C 94 62.757 62.757 64.489 -1.732 19637 13417 1 17 . 1 1 94 94 SER H H 94 8.902 8.902 7.764 1.138 19637 13418 1 17 . 1 1 95 95 SER N N 95 120.754 120.754 120.437 0.317 19637 13419 1 17 . 1 1 95 95 SER CA C 95 58.451 58.451 58.958 -0.507 19637 13420 1 17 . 1 1 95 95 SER CB C 95 62.580 62.580 63.957 -1.377 19637 13421 1 17 . 1 1 95 95 SER H H 95 7.922 7.922 8.264 -0.342 19637 13422 1 17 . 1 1 96 96 LYS N N 96 120.924 120.924 117.086 3.838 19637 13423 1 17 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.674 -2.075 19637 13424 1 17 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.898 -2.532 19637 13425 1 17 . 1 1 96 96 LYS H H 96 8.555 8.555 8.060 0.495 19637 13426 1 17 . 1 1 97 97 PHE N N 97 117.773 117.773 118.683 -0.910 19637 13427 1 17 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.853 -2.165 19637 13428 1 17 . 1 1 97 97 PHE CB C 97 40.322 40.322 41.133 -0.811 19637 13429 1 17 . 1 1 97 97 PHE H H 97 7.596 7.596 7.703 -0.107 19637 13430 1 17 . 1 1 98 98 ARG N N 98 120.982 120.982 122.566 -1.584 19637 13431 1 17 . 1 1 98 98 ARG C C 98 173.047 173.047 173.975 -0.928 19637 13432 1 17 . 1 1 98 98 ARG CA C 98 52.471 52.471 52.576 -0.105 19637 13433 1 17 . 1 1 98 98 ARG CB C 98 31.632 31.632 30.179 1.453 19637 13434 1 17 . 1 1 98 98 ARG H H 98 8.823 8.823 8.498 0.325 19637 13435 1 17 . 1 1 100 100 TYR N N 100 117.775 117.775 119.596 -1.821 19637 13436 1 17 . 1 1 100 100 TYR C C 100 173.047 173.047 174.321 -1.274 19637 13437 1 17 . 1 1 100 100 TYR CA C 100 54.954 54.954 58.030 -3.076 19637 13438 1 17 . 1 1 100 100 TYR CB C 100 39.524 39.524 42.163 -2.639 19637 13439 1 17 . 1 1 100 100 TYR H H 100 8.885 8.885 8.783 0.102 19637 13440 1 17 . 1 1 101 101 VAL N N 101 111.744 111.744 114.857 -3.113 19637 13441 1 17 . 1 1 101 101 VAL C C 101 173.457 173.457 174.620 -1.163 19637 13442 1 17 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.669 -2.564 19637 13443 1 17 . 1 1 101 101 VAL CB C 101 34.381 34.381 34.855 -0.474 19637 13444 1 17 . 1 1 101 101 VAL H H 101 8.365 8.365 8.377 -0.012 19637 13445 1 17 . 1 1 102 102 GLY N N 102 108.300 108.300 107.255 1.045 19637 13446 1 17 . 1 1 102 102 GLY C C 102 171.241 171.241 171.546 -0.305 19637 13447 1 17 . 1 1 102 102 GLY CA C 102 44.972 44.972 45.651 -0.679 19637 13448 1 17 . 1 1 102 102 GLY H H 102 8.271 8.271 8.626 -0.355 19637 13449 1 17 . 1 1 103 103 ALA N N 103 120.836 120.836 122.334 -1.498 19637 13450 1 17 . 1 1 103 103 ALA C C 103 175.614 175.614 175.185 0.429 19637 13451 1 17 . 1 1 103 103 ALA CA C 103 49.833 49.833 50.778 -0.945 19637 13452 1 17 . 1 1 103 103 ALA CB C 103 21.718 21.718 22.748 -1.030 19637 13453 1 17 . 1 1 103 103 ALA H H 103 9.048 9.048 8.133 0.916 19637 13454 1 17 . 1 1 104 104 GLY N N 104 107.477 107.477 106.235 1.242 19637 13455 1 17 . 1 1 104 104 GLY C C 104 171.832 171.832 172.863 -1.031 19637 13456 1 17 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.338 2.141 19637 13457 1 17 . 1 1 104 104 GLY H H 104 8.661 8.661 8.253 0.408 19637 13458 1 17 . 1 1 105 105 ILE N N 105 118.575 118.575 119.014 -0.439 19637 13459 1 17 . 1 1 105 105 ILE C C 105 172.275 172.275 173.900 -1.625 19637 13460 1 17 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.892 -3.543 19637 13461 1 17 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.983 -0.331 19637 13462 1 17 . 1 1 105 105 ILE H H 105 9.020 9.020 8.433 0.587 19637 13463 1 17 . 1 1 106 106 ASN N N 106 123.879 123.879 125.797 -1.918 19637 13464 1 17 . 1 1 106 106 ASN C C 106 171.418 171.418 174.104 -2.686 19637 13465 1 17 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.710 -0.126 19637 13466 1 17 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.093 0.761 19637 13467 1 17 . 1 1 106 106 ASN H H 106 9.659 9.659 8.814 0.845 19637 13468 1 17 . 1 1 107 107 TYR N N 107 125.744 125.744 127.396 -1.652 19637 13469 1 17 . 1 1 107 107 TYR C C 107 173.073 173.073 175.561 -2.488 19637 13470 1 17 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.405 -2.901 19637 13471 1 17 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.241 1.613 19637 13472 1 17 . 1 1 107 107 TYR H H 107 8.273 8.273 8.814 -0.541 19637 13473 1 17 . 1 1 108 108 THR N N 108 119.337 119.337 121.822 -2.485 19637 13474 1 17 . 1 1 108 108 THR C C 108 172.457 172.457 173.282 -0.825 19637 13475 1 17 . 1 1 108 108 THR CA C 108 60.452 60.452 61.645 -1.193 19637 13476 1 17 . 1 1 108 108 THR CB C 108 69.319 69.319 71.160 -1.841 19637 13477 1 17 . 1 1 108 108 THR H H 108 8.446 8.446 8.956 -0.510 19637 13478 1 17 . 1 1 109 109 THR N N 109 118.655 118.655 120.853 -2.198 19637 13479 1 17 . 1 1 109 109 THR C C 109 171.625 171.625 174.561 -2.936 19637 13480 1 17 . 1 1 109 109 THR CA C 109 56.810 56.810 59.489 -2.679 19637 13481 1 17 . 1 1 109 109 THR H H 109 7.548 7.548 8.731 -1.183 19637 13482 1 17 . 1 1 112 112 ASP N N 112 116.796 116.796 119.056 -2.260 19637 13483 1 17 . 1 1 112 112 ASP C C 112 175.490 175.490 174.090 1.400 19637 13484 1 17 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.789 -0.905 19637 13485 1 17 . 1 1 112 112 ASP CB C 112 37.662 37.662 43.669 -6.007 19637 13486 1 17 . 1 1 112 112 ASP H H 112 8.995 8.995 8.483 0.512 19637 13487 1 17 . 1 1 113 113 ASN N N 113 117.801 117.801 122.775 -4.974 19637 13488 1 17 . 1 1 113 113 ASN C C 113 175.702 175.702 175.228 0.474 19637 13489 1 17 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.456 -1.720 19637 13490 1 17 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.969 -1.621 19637 13491 1 17 . 1 1 113 113 ASN H H 113 8.410 8.410 8.223 0.187 19637 13492 1 17 . 1 1 114 114 GLY N N 114 107.744 107.744 113.151 -5.407 19637 13493 1 17 . 1 1 114 114 GLY C C 114 171.979 171.979 174.093 -2.114 19637 13494 1 17 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.117 -0.323 19637 13495 1 17 . 1 1 114 114 GLY H H 114 8.557 8.557 7.913 0.644 19637 13496 1 17 . 1 1 115 115 PHE N N 115 119.554 119.554 118.712 0.842 19637 13497 1 17 . 1 1 115 115 PHE C C 115 176.192 176.192 173.986 2.206 19637 13498 1 17 . 1 1 115 115 PHE CA C 115 57.490 57.490 59.105 -1.615 19637 13499 1 17 . 1 1 115 115 PHE CB C 115 39.081 39.081 39.220 -0.139 19637 13500 1 17 . 1 1 115 115 PHE H H 115 8.607 8.607 8.390 0.217 19637 13501 1 17 . 1 1 116 116 ASN N N 116 120.356 120.356 123.714 -3.358 19637 13502 1 17 . 1 1 116 116 ASN C C 116 175.407 175.407 174.940 0.467 19637 13503 1 17 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.637 -2.566 19637 13504 1 17 . 1 1 116 116 ASN CB C 116 37.041 37.041 39.864 -2.823 19637 13505 1 17 . 1 1 116 116 ASN H H 116 8.240 8.240 8.017 0.223 19637 13506 1 17 . 1 1 117 117 ASP N N 117 117.610 117.610 120.273 -2.663 19637 13507 1 17 . 1 1 117 117 ASP C C 117 178.298 178.298 178.136 0.162 19637 13508 1 17 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.141 -0.793 19637 13509 1 17 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.511 -1.963 19637 13510 1 17 . 1 1 117 117 ASP H H 117 8.460 8.460 8.589 -0.129 19637 13511 1 17 . 1 1 118 118 HIS N N 118 118.493 118.493 117.722 0.771 19637 13512 1 17 . 1 1 118 118 HIS C C 118 177.821 177.821 177.557 0.264 19637 13513 1 17 . 1 1 118 118 HIS CA C 118 56.766 56.766 57.212 -0.446 19637 13514 1 17 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.070 -3.343 19637 13515 1 17 . 1 1 118 118 HIS H H 118 8.185 8.185 8.213 -0.028 19637 13516 1 17 . 1 1 119 119 GLY N N 119 107.937 107.937 108.065 -0.128 19637 13517 1 17 . 1 1 119 119 GLY C C 119 175.082 175.082 176.050 -0.968 19637 13518 1 17 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.836 -0.224 19637 13519 1 17 . 1 1 119 119 GLY H H 119 8.788 8.788 8.536 0.252 19637 13520 1 17 . 1 1 120 120 LYS N N 120 122.898 122.898 122.432 0.466 19637 13521 1 17 . 1 1 120 120 LYS C C 120 181.612 181.612 179.516 2.096 19637 13522 1 17 . 1 1 120 120 LYS CA C 120 58.717 58.717 58.760 -0.043 19637 13523 1 17 . 1 1 120 120 LYS CB C 120 30.656 30.656 31.853 -1.197 19637 13524 1 17 . 1 1 120 120 LYS H H 120 8.890 8.890 8.254 0.636 19637 13525 1 17 . 1 1 121 121 GLU N N 121 120.995 120.995 119.289 1.706 19637 13526 1 17 . 1 1 121 121 GLU C C 121 177.327 177.327 176.958 0.369 19637 13527 1 17 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.006 -0.353 19637 13528 1 17 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.233 -1.503 19637 13529 1 17 . 1 1 121 121 GLU H H 121 8.234 8.234 7.817 0.417 19637 13530 1 17 . 1 1 122 122 ALA N N 122 119.811 119.811 119.950 -0.139 19637 13531 1 17 . 1 1 122 122 ALA C C 122 176.500 176.500 177.650 -1.150 19637 13532 1 17 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.964 -0.922 19637 13533 1 17 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.503 -2.793 19637 13534 1 17 . 1 1 122 122 ALA H H 122 7.259 7.259 7.396 -0.137 19637 13535 1 17 . 1 1 123 123 GLY N N 123 103.863 103.863 106.050 -2.187 19637 13536 1 17 . 1 1 123 123 GLY C C 123 175.082 175.082 173.284 1.798 19637 13537 1 17 . 1 1 123 123 GLY CA C 123 44.264 44.264 44.871 -0.607 19637 13538 1 17 . 1 1 123 123 GLY H H 123 7.745 7.745 7.823 -0.078 19637 13539 1 17 . 1 1 124 124 LEU N N 124 123.722 123.722 120.581 3.141 19637 13540 1 17 . 1 1 124 124 LEU C C 124 176.293 176.293 176.342 -0.049 19637 13541 1 17 . 1 1 124 124 LEU CA C 124 53.269 53.269 54.924 -1.655 19637 13542 1 17 . 1 1 124 124 LEU CB C 124 38.016 38.016 43.265 -5.249 19637 13543 1 17 . 1 1 124 124 LEU H H 124 7.461 7.461 7.890 -0.429 19637 13544 1 17 . 1 1 125 125 SER N N 125 114.112 114.112 120.771 -6.659 19637 13545 1 17 . 1 1 125 125 SER C C 125 173.250 173.250 174.353 -1.103 19637 13546 1 17 . 1 1 125 125 SER CA C 125 57.259 57.259 58.491 -1.232 19637 13547 1 17 . 1 1 125 125 SER CB C 125 65.684 65.684 64.563 1.121 19637 13548 1 17 . 1 1 125 125 SER H H 125 8.809 8.809 9.048 -0.239 19637 13549 1 17 . 1 1 126 126 ASP N N 126 117.817 117.817 120.706 -2.889 19637 13550 1 17 . 1 1 126 126 ASP C C 126 174.107 174.107 175.227 -1.120 19637 13551 1 17 . 1 1 126 126 ASP CA C 126 54.593 54.593 53.254 1.339 19637 13552 1 17 . 1 1 126 126 ASP CB C 126 38.726 38.726 38.680 0.046 19637 13553 1 17 . 1 1 126 126 ASP H H 126 9.035 9.035 8.518 0.517 19637 13554 1 17 . 1 1 127 127 LEU N N 127 120.160 120.160 125.165 -5.005 19637 13555 1 17 . 1 1 127 127 LEU C C 127 176.726 176.726 176.037 0.689 19637 13556 1 17 . 1 1 127 127 LEU CA C 127 54.371 54.371 56.671 -2.300 19637 13557 1 17 . 1 1 127 127 LEU CB C 127 40.322 40.322 41.892 -1.570 19637 13558 1 17 . 1 1 127 127 LEU H H 127 8.109 8.109 8.038 0.071 19637 13559 1 17 . 1 1 128 128 SER N N 128 120.909 120.909 115.322 5.587 19637 13560 1 17 . 1 1 128 128 SER C C 128 172.038 172.038 172.776 -0.738 19637 13561 1 17 . 1 1 128 128 SER CA C 128 57.120 57.120 57.517 -0.398 19637 13562 1 17 . 1 1 128 128 SER CB C 128 64.353 64.353 65.216 -0.864 19637 13563 1 17 . 1 1 128 128 SER H H 128 9.499 9.499 8.470 1.029 19637 13564 1 17 . 1 1 129 129 LEU N N 129 122.260 122.260 122.396 -0.136 19637 13565 1 17 . 1 1 129 129 LEU C C 129 176.411 176.411 177.889 -1.478 19637 13566 1 17 . 1 1 129 129 LEU CA C 129 53.839 53.839 54.532 -0.693 19637 13567 1 17 . 1 1 129 129 LEU CB C 129 42.539 42.539 44.337 -1.798 19637 13568 1 17 . 1 1 129 129 LEU H H 129 8.182 8.182 8.589 -0.407 19637 13569 1 17 . 1 1 130 130 LYS N N 130 122.490 122.490 122.654 -0.164 19637 13570 1 17 . 1 1 130 130 LYS C C 130 176.754 176.754 175.512 1.242 19637 13571 1 17 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.493 0.549 19637 13572 1 17 . 1 1 130 130 LYS CB C 130 32.518 32.518 31.253 1.265 19637 13573 1 17 . 1 1 130 130 LYS H H 130 7.536 7.536 8.452 -0.916 19637 13574 1 17 . 1 1 131 131 ASP N N 131 123.217 123.217 119.243 3.974 19637 13575 1 17 . 1 1 131 131 ASP C C 131 175.998 175.998 174.285 1.713 19637 13576 1 17 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.558 -1.098 19637 13577 1 17 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.786 -1.553 19637 13578 1 17 . 1 1 131 131 ASP H H 131 8.782 8.782 7.962 0.820 19637 13579 1 17 . 1 1 132 132 SER N N 132 115.445 115.445 115.783 -0.338 19637 13580 1 17 . 1 1 132 132 SER C C 132 171.920 171.920 173.089 -1.169 19637 13581 1 17 . 1 1 132 132 SER CA C 132 55.790 55.790 57.535 -1.745 19637 13582 1 17 . 1 1 132 132 SER CB C 132 64.087 64.087 65.553 -1.466 19637 13583 1 17 . 1 1 132 132 SER H H 132 9.016 9.016 8.585 0.431 19637 13584 1 17 . 1 1 133 133 TRP N N 133 124.389 124.389 122.811 1.578 19637 13585 1 17 . 1 1 133 133 TRP C C 133 178.243 178.243 174.533 3.710 19637 13586 1 17 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.891 0.418 19637 13587 1 17 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.427 -0.026 19637 13588 1 17 . 1 1 133 133 TRP H H 133 7.896 7.896 8.373 -0.477 19637 13589 1 17 . 1 1 134 134 GLY N N 134 107.658 107.658 108.546 -0.888 19637 13590 1 17 . 1 1 134 134 GLY C C 134 171.123 171.123 172.753 -1.630 19637 13591 1 17 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.104 0.646 19637 13592 1 17 . 1 1 134 134 GLY H H 134 8.896 8.896 8.728 0.168 19637 13593 1 17 . 1 1 135 135 ALA N N 135 122.244 122.244 119.474 2.770 19637 13594 1 17 . 1 1 135 135 ALA C C 135 174.875 174.875 174.613 0.262 19637 13595 1 17 . 1 1 135 135 ALA CA C 135 51.141 51.141 52.084 -0.944 19637 13596 1 17 . 1 1 135 135 ALA CB C 135 19.306 19.306 21.722 -2.416 19637 13597 1 17 . 1 1 135 135 ALA H H 135 8.946 8.946 8.200 0.746 19637 13598 1 17 . 1 1 136 136 ALA N N 136 118.579 118.579 121.628 -3.049 19637 13599 1 17 . 1 1 136 136 ALA C C 136 175.434 175.434 176.176 -0.742 19637 13600 1 17 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.155 -0.661 19637 13601 1 17 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.065 2.142 19637 13602 1 17 . 1 1 136 136 ALA H H 136 8.111 8.111 8.465 -0.354 19637 13603 1 17 . 1 1 137 137 GLY N N 137 105.005 105.005 109.312 -4.307 19637 13604 1 17 . 1 1 137 137 GLY C C 137 171.300 171.300 172.926 -1.626 19637 13605 1 17 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.684 -2.502 19637 13606 1 17 . 1 1 137 137 GLY H H 137 8.933 8.933 8.056 0.877 19637 13607 1 17 . 1 1 138 138 GLN N N 138 115.695 115.695 122.128 -6.433 19637 13608 1 17 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.085 -1.822 19637 13609 1 17 . 1 1 138 138 GLN H H 138 8.559 8.559 8.683 -0.124 19637 13610 1 17 . 1 1 140 140 GLY N N 140 110.307 110.307 115.126 -4.819 19637 13611 1 17 . 1 1 140 140 GLY C C 140 171.329 171.329 172.410 -1.081 19637 13612 1 17 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.393 1.224 19637 13613 1 17 . 1 1 140 140 GLY H H 140 7.936 7.936 8.284 -0.348 19637 13614 1 17 . 1 1 141 141 VAL N N 141 112.233 112.233 118.285 -6.052 19637 13615 1 17 . 1 1 141 141 VAL C C 141 171.979 171.979 173.649 -1.670 19637 13616 1 17 . 1 1 141 141 VAL CA C 141 59.914 59.914 61.774 -1.860 19637 13617 1 17 . 1 1 141 141 VAL CB C 141 33.937 33.937 34.464 -0.527 19637 13618 1 17 . 1 1 141 141 VAL H H 141 8.646 8.646 8.465 0.181 19637 13619 1 17 . 1 1 142 142 ASP N N 142 122.520 122.520 125.595 -3.075 19637 13620 1 17 . 1 1 142 142 ASP C C 142 175.259 175.259 173.774 1.485 19637 13621 1 17 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.136 -1.425 19637 13622 1 17 . 1 1 142 142 ASP CB C 142 43.780 43.780 43.701 0.079 19637 13623 1 17 . 1 1 142 142 ASP H H 142 7.402 7.402 8.201 -0.799 19637 13624 1 17 . 1 1 143 143 TYR N N 143 122.331 122.331 120.049 2.282 19637 13625 1 17 . 1 1 143 143 TYR C C 143 173.870 173.870 173.784 0.086 19637 13626 1 17 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.803 -2.855 19637 13627 1 17 . 1 1 143 143 TYR CB C 143 40.765 40.765 39.594 1.171 19637 13628 1 17 . 1 1 143 143 TYR H H 143 9.396 9.396 8.293 1.103 19637 13629 1 17 . 1 1 144 144 LEU N N 144 130.341 130.341 129.010 1.331 19637 13630 1 17 . 1 1 144 144 LEU C C 144 174.786 174.786 175.094 -0.308 19637 13631 1 17 . 1 1 144 144 LEU CA C 144 55.524 55.524 53.887 1.637 19637 13632 1 17 . 1 1 144 144 LEU CB C 144 40.677 40.677 44.513 -3.836 19637 13633 1 17 . 1 1 144 144 LEU H H 144 8.313 8.313 8.448 -0.135 19637 13634 1 17 . 1 1 145 145 ILE N N 145 124.602 124.602 121.498 3.104 19637 13635 1 17 . 1 1 145 145 ILE C C 145 177.593 177.593 175.185 2.408 19637 13636 1 17 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.944 -1.847 19637 13637 1 17 . 1 1 145 145 ILE CB C 145 36.864 36.864 35.971 0.893 19637 13638 1 17 . 1 1 145 145 ILE H H 145 8.809 8.809 8.688 0.121 19637 13639 1 17 . 1 1 146 146 ASN N N 146 118.348 118.348 123.968 -5.620 19637 13640 1 17 . 1 1 146 146 ASN CA C 146 51.318 51.318 53.809 -2.491 19637 13641 1 17 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.218 -2.266 19637 13642 1 17 . 1 1 146 146 ASN H H 146 8.362 8.362 8.564 -0.202 19637 13643 1 17 . 1 1 147 147 ARG N N 147 113.940 113.940 117.007 -3.067 19637 13644 1 17 . 1 1 147 147 ARG C C 147 176.470 176.470 175.340 1.130 19637 13645 1 17 . 1 1 147 147 ARG CA C 147 58.584 58.584 57.054 1.530 19637 13646 1 17 . 1 1 147 147 ARG CB C 147 28.705 28.705 31.858 -3.153 19637 13647 1 17 . 1 1 147 147 ARG H H 147 8.072 8.072 7.475 0.597 19637 13648 1 17 . 1 1 148 148 ASP N N 148 112.938 112.938 118.059 -5.121 19637 13649 1 17 . 1 1 148 148 ASP C C 148 174.373 174.373 174.882 -0.509 19637 13650 1 17 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.496 -0.169 19637 13651 1 17 . 1 1 148 148 ASP CB C 148 42.628 42.628 43.653 -1.025 19637 13652 1 17 . 1 1 148 148 ASP H H 148 7.668 7.668 8.115 -0.447 19637 13653 1 17 . 1 1 149 149 TRP N N 149 116.148 116.148 116.968 -0.820 19637 13654 1 17 . 1 1 149 149 TRP C C 149 175.574 175.574 173.099 2.475 19637 13655 1 17 . 1 1 149 149 TRP CA C 149 55.486 55.486 56.908 -1.422 19637 13656 1 17 . 1 1 149 149 TRP CB C 149 31.720 31.720 29.960 1.760 19637 13657 1 17 . 1 1 149 149 TRP H H 149 7.788 7.788 7.699 0.089 19637 13658 1 17 . 1 1 150 150 LEU N N 150 118.106 118.106 115.942 2.164 19637 13659 1 17 . 1 1 150 150 LEU C C 150 175.141 175.141 174.278 0.863 19637 13660 1 17 . 1 1 150 150 LEU CA C 150 52.155 52.155 54.668 -2.513 19637 13661 1 17 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.371 0.030 19637 13662 1 17 . 1 1 150 150 LEU H H 150 9.306 9.306 8.886 0.420 19637 13663 1 17 . 1 1 151 151 VAL N N 151 115.211 115.211 112.587 2.624 19637 13664 1 17 . 1 1 151 151 VAL C C 151 173.524 173.524 173.796 -0.272 19637 13665 1 17 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.545 -1.246 19637 13666 1 17 . 1 1 151 151 VAL CB C 151 33.849 33.849 35.006 -1.157 19637 13667 1 17 . 1 1 151 151 VAL H H 151 9.293 9.293 8.187 1.106 19637 13668 1 17 . 1 1 152 152 ASN N N 152 124.526 124.526 120.486 4.040 19637 13669 1 17 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.175 -0.420 19637 13670 1 17 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.045 0.583 19637 13671 1 17 . 1 1 152 152 ASN H H 152 8.893 8.893 8.855 0.038 19637 13672 1 17 . 1 1 153 153 MET N N 153 118.533 118.533 123.986 -5.453 19637 13673 1 17 . 1 1 153 153 MET C C 153 173.987 173.987 174.326 -0.339 19637 13674 1 17 . 1 1 153 153 MET CA C 153 54.017 54.017 55.264 -1.247 19637 13675 1 17 . 1 1 153 153 MET CB C 153 36.243 36.243 36.050 0.193 19637 13676 1 17 . 1 1 153 153 MET H H 153 8.003 8.003 8.848 -0.845 19637 13677 1 17 . 1 1 154 154 SER N N 154 113.225 113.225 118.424 -5.199 19637 13678 1 17 . 1 1 154 154 SER C C 154 172.120 172.120 172.760 -0.640 19637 13679 1 17 . 1 1 154 154 SER CA C 154 56.550 56.550 57.019 -0.469 19637 13680 1 17 . 1 1 154 154 SER CB C 154 64.619 64.619 66.582 -1.963 19637 13681 1 17 . 1 1 154 154 SER H H 154 9.191 9.191 8.962 0.229 19637 13682 1 17 . 1 1 155 155 VAL N N 155 119.543 119.543 113.685 5.858 19637 13683 1 17 . 1 1 155 155 VAL C C 155 173.973 173.973 174.088 -0.115 19637 13684 1 17 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.146 -0.764 19637 13685 1 17 . 1 1 155 155 VAL H H 155 9.190 9.190 8.242 0.948 19637 13686 1 17 . 1 1 156 156 TRP N N 156 124.596 124.596 119.085 5.511 19637 13687 1 17 . 1 1 156 156 TRP C C 156 175.237 175.237 175.421 -0.184 19637 13688 1 17 . 1 1 156 156 TRP CA C 156 53.263 53.263 57.298 -4.035 19637 13689 1 17 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.786 0.442 19637 13690 1 17 . 1 1 156 156 TRP H H 156 9.883 9.883 8.121 1.762 19637 13691 1 17 . 1 1 160 160 ILE N N 160 123.211 123.211 123.036 0.175 19637 13692 1 17 . 1 1 160 160 ILE C C 160 173.545 173.545 173.125 0.420 19637 13693 1 17 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.017 0.252 19637 13694 1 17 . 1 1 160 160 ILE H H 160 7.948 7.948 7.624 0.324 19637 13695 1 17 . 1 1 161 161 ASP N N 161 128.357 128.357 127.986 0.371 19637 13696 1 17 . 1 1 161 161 ASP CA C 161 52.421 52.421 52.307 0.114 19637 13697 1 17 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.686 0.144 19637 13698 1 17 . 1 1 161 161 ASP H H 161 8.302 8.302 8.324 -0.022 19637 13699 1 17 . 1 1 162 162 THR N N 162 117.472 117.472 121.094 -3.622 19637 13700 1 17 . 1 1 162 162 THR CA C 162 57.259 57.259 61.614 -4.355 19637 13701 1 17 . 1 1 162 162 THR CB C 162 68.167 68.167 72.920 -4.753 19637 13702 1 17 . 1 1 162 162 THR H H 162 8.788 8.788 7.967 0.821 19637 13703 1 17 . 1 1 163 163 THR N N 163 120.189 120.189 116.064 4.125 19637 13704 1 17 . 1 1 163 163 THR CA C 163 60.629 60.629 60.301 0.328 19637 13705 1 17 . 1 1 163 163 THR CB C 163 68.278 68.278 70.335 -2.058 19637 13706 1 17 . 1 1 163 163 THR H H 163 8.429 8.429 8.581 -0.152 19637 13707 1 17 . 1 1 164 164 ALA N N 164 127.991 127.991 126.278 1.713 19637 13708 1 17 . 1 1 164 164 ALA C C 164 174.993 174.993 176.632 -1.639 19637 13709 1 17 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.338 -1.148 19637 13710 1 17 . 1 1 164 164 ALA CB C 164 18.951 18.951 20.226 -1.275 19637 13711 1 17 . 1 1 164 164 ALA H H 164 9.428 9.428 8.902 0.526 19637 13712 1 17 . 1 1 165 165 ASN N N 165 122.214 122.214 125.935 -3.721 19637 13713 1 17 . 1 1 165 165 ASN C C 165 173.047 173.047 173.912 -0.865 19637 13714 1 17 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.893 -2.752 19637 13715 1 17 . 1 1 165 165 ASN CB C 165 40.056 40.056 39.207 0.849 19637 13716 1 17 . 1 1 165 165 ASN H H 165 9.216 9.216 8.652 0.564 19637 13717 1 17 . 1 1 166 166 TYR N N 166 116.330 116.330 126.402 -10.072 19637 13718 1 17 . 1 1 166 166 TYR C C 166 172.260 172.260 173.072 -0.812 19637 13719 1 17 . 1 1 166 166 TYR CA C 166 55.397 55.397 57.066 -1.669 19637 13720 1 17 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.669 -3.007 19637 13721 1 17 . 1 1 166 166 TYR H H 166 7.816 7.816 9.374 -1.558 19637 13722 1 17 . 1 1 167 167 LYS N N 167 117.734 117.734 127.265 -9.531 19637 13723 1 17 . 1 1 167 167 LYS C C 167 174.760 174.760 173.633 1.127 19637 13724 1 17 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.698 -0.947 19637 13725 1 17 . 1 1 167 167 LYS CB C 167 34.381 34.381 36.023 -1.642 19637 13726 1 17 . 1 1 167 167 LYS H H 167 9.100 9.100 8.457 0.643 19637 13727 1 17 . 1 1 168 168 LEU N N 168 121.623 121.623 117.483 4.140 19637 13728 1 17 . 1 1 168 168 LEU C C 168 177.877 177.877 177.015 0.862 19637 13729 1 17 . 1 1 168 168 LEU CA C 168 52.509 52.509 53.920 -1.411 19637 13730 1 17 . 1 1 168 168 LEU CB C 168 42.894 42.894 45.090 -2.196 19637 13731 1 17 . 1 1 168 168 LEU H H 168 8.372 8.372 8.164 0.208 19637 13732 1 17 . 1 1 169 169 GLY N N 169 119.264 119.264 107.770 11.494 19637 13733 1 17 . 1 1 169 169 GLY C C 169 175.602 175.602 175.212 0.390 19637 13734 1 17 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.359 0.898 19637 13735 1 17 . 1 1 169 169 GLY H H 169 9.603 9.603 9.284 0.319 19637 13736 1 17 . 1 1 170 170 GLY N N 170 104.659 104.659 107.224 -2.565 19637 13737 1 17 . 1 1 170 170 GLY C C 170 172.570 172.570 173.798 -1.228 19637 13738 1 17 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.890 -0.850 19637 13739 1 17 . 1 1 170 170 GLY H H 170 8.381 8.381 8.462 -0.081 19637 13740 1 17 . 1 1 171 171 ALA N N 171 123.570 123.570 122.064 1.506 19637 13741 1 17 . 1 1 171 171 ALA C C 171 177.569 177.569 176.658 0.911 19637 13742 1 17 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.956 -1.063 19637 13743 1 17 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.772 -2.442 19637 13744 1 17 . 1 1 171 171 ALA H H 171 7.650 7.650 7.467 0.183 19637 13745 1 17 . 1 1 172 172 GLN N N 172 124.057 124.057 119.928 4.129 19637 13746 1 17 . 1 1 172 172 GLN C C 172 174.869 174.869 174.748 0.121 19637 13747 1 17 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.315 0.703 19637 13748 1 17 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.694 -0.521 19637 13749 1 17 . 1 1 172 172 GLN H H 172 8.840 8.840 8.543 0.297 19637 13750 1 17 . 1 1 173 173 GLN N N 173 124.328 124.328 123.777 0.551 19637 13751 1 17 . 1 1 173 173 GLN C C 173 174.953 174.953 173.905 1.048 19637 13752 1 17 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.790 -2.635 19637 13753 1 17 . 1 1 173 173 GLN CB C 173 29.415 29.415 32.322 -2.907 19637 13754 1 17 . 1 1 173 173 GLN H H 173 9.023 9.023 8.545 0.478 19637 13755 1 17 . 1 1 174 174 HIS N N 174 115.629 115.629 119.517 -3.888 19637 13756 1 17 . 1 1 174 174 HIS C C 174 173.103 173.103 173.670 -0.567 19637 13757 1 17 . 1 1 174 174 HIS CA C 174 53.446 53.446 53.707 -0.261 19637 13758 1 17 . 1 1 174 174 HIS CB C 174 29.681 29.681 33.208 -3.527 19637 13759 1 17 . 1 1 174 174 HIS H H 174 8.227 8.227 8.320 -0.093 19637 13760 1 17 . 1 1 175 175 ASP N N 175 120.615 120.615 120.632 -0.017 19637 13761 1 17 . 1 1 175 175 ASP C C 175 175.013 175.013 176.074 -1.061 19637 13762 1 17 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.497 -0.766 19637 13763 1 17 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.440 1.671 19637 13764 1 17 . 1 1 175 175 ASP H H 175 8.964 8.964 8.518 0.446 19637 13765 1 17 . 1 1 176 176 SER N N 176 118.175 118.175 120.301 -2.126 19637 13766 1 17 . 1 1 176 176 SER C C 176 173.496 173.496 174.673 -1.177 19637 13767 1 17 . 1 1 176 176 SER CA C 176 57.697 57.697 57.676 0.021 19637 13768 1 17 . 1 1 176 176 SER CB C 176 62.757 62.757 63.538 -0.781 19637 13769 1 17 . 1 1 176 176 SER H H 176 9.137 9.137 8.769 0.368 19637 13770 1 17 . 1 1 177 177 VAL N N 177 123.737 123.737 126.725 -2.988 19637 13771 1 17 . 1 1 177 177 VAL C C 177 173.398 173.398 175.005 -1.607 19637 13772 1 17 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.358 -2.081 19637 13773 1 17 . 1 1 177 177 VAL CB C 177 32.518 32.518 30.324 2.194 19637 13774 1 17 . 1 1 177 177 VAL H H 177 8.492 8.492 8.729 -0.237 19637 13775 1 17 . 1 1 178 178 ARG N N 178 127.628 127.628 129.249 -1.621 19637 13776 1 17 . 1 1 178 178 ARG C C 178 175.097 175.097 174.530 0.567 19637 13777 1 17 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.666 -0.649 19637 13778 1 17 . 1 1 178 178 ARG CB C 178 29.149 29.149 32.018 -2.869 19637 13779 1 17 . 1 1 178 178 ARG H H 178 8.513 8.513 7.894 0.619 19637 13780 1 17 . 1 1 182 182 TRP N N 182 115.616 115.616 119.618 -4.002 19637 13781 1 17 . 1 1 182 182 TRP C C 182 176.613 176.613 175.346 1.267 19637 13782 1 17 . 1 1 182 182 TRP CA C 182 55.228 55.228 58.185 -2.957 19637 13783 1 17 . 1 1 182 182 TRP CB C 182 31.809 31.809 29.487 2.322 19637 13784 1 17 . 1 1 182 182 TRP H H 182 7.491 7.491 8.710 -1.219 19637 13785 1 17 . 1 1 183 183 VAL N N 183 121.618 121.618 122.488 -0.870 19637 13786 1 17 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.729 -2.101 19637 13787 1 17 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.678 -1.982 19637 13788 1 17 . 1 1 183 183 VAL H H 183 9.372 9.372 8.620 0.752 19637 13789 1 17 . 1 1 185 185 MET N N 185 129.032 129.032 127.961 1.071 19637 13790 1 17 . 1 1 185 185 MET C C 185 172.186 172.186 173.889 -1.703 19637 13791 1 17 . 1 1 185 185 MET CA C 185 53.091 53.091 54.818 -1.727 19637 13792 1 17 . 1 1 185 185 MET CB C 185 33.405 33.405 33.928 -0.523 19637 13793 1 17 . 1 1 185 185 MET H H 185 9.615 9.615 8.436 1.179 19637 13794 1 17 . 1 1 186 186 PHE N N 186 124.085 124.085 122.153 1.932 19637 13795 1 17 . 1 1 186 186 PHE C C 186 174.816 174.816 172.994 1.822 19637 13796 1 17 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.553 -0.423 19637 13797 1 17 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.930 -1.342 19637 13798 1 17 . 1 1 186 186 PHE H H 186 7.976 7.976 8.230 -0.254 19637 13799 1 17 . 1 1 187 187 SER N N 187 116.369 116.369 114.238 2.131 19637 13800 1 17 . 1 1 187 187 SER C C 187 171.305 171.305 172.385 -1.080 19637 13801 1 17 . 1 1 187 187 SER CA C 187 57.348 57.348 57.680 -0.332 19637 13802 1 17 . 1 1 187 187 SER CB C 187 66.127 66.127 65.796 0.331 19637 13803 1 17 . 1 1 187 187 SER H H 187 9.355 9.355 8.931 0.424 19637 13804 1 17 . 1 1 188 188 ALA N N 188 119.248 119.248 122.903 -3.655 19637 13805 1 17 . 1 1 188 188 ALA C C 188 175.996 175.996 177.000 -1.004 19637 13806 1 17 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.337 -1.252 19637 13807 1 17 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.553 0.526 19637 13808 1 17 . 1 1 188 188 ALA H H 188 8.300 8.300 8.436 -0.136 19637 13809 1 17 . 1 1 189 189 GLY N N 189 104.914 104.914 106.275 -1.361 19637 13810 1 17 . 1 1 189 189 GLY C C 189 170.650 170.650 172.309 -1.659 19637 13811 1 17 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.456 -1.410 19637 13812 1 17 . 1 1 189 189 GLY H H 189 9.235 9.235 8.503 0.732 19637 13813 1 17 . 1 1 190 190 TYR N N 190 121.149 121.149 125.158 -4.009 19637 13814 1 17 . 1 1 190 190 TYR C C 190 173.608 173.608 175.462 -1.854 19637 13815 1 17 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.727 -0.596 19637 13816 1 17 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.553 -0.191 19637 13817 1 17 . 1 1 190 190 TYR H H 190 8.865 8.865 8.452 0.413 19637 13818 1 17 . 1 1 191 191 ARG N N 191 125.697 125.697 125.395 0.302 19637 13819 1 17 . 1 1 191 191 ARG CA C 191 53.529 53.529 57.419 -3.890 19637 13820 1 17 . 1 1 191 191 ARG CB C 191 29.947 29.947 29.601 0.346 19637 13821 1 17 . 1 1 191 191 ARG H H 191 7.469 7.469 8.392 -0.923 19637 13822 1 18 . 1 1 2 2 HIS N N 2 119.214 119.214 120.846 -1.632 19637 13823 1 18 . 1 1 2 2 HIS C C 2 171.081 171.081 174.394 -3.313 19637 13824 1 18 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.443 -3.155 19637 13825 1 18 . 1 1 2 2 HIS CB C 2 23.296 23.296 27.838 -4.542 19637 13826 1 18 . 1 1 2 2 HIS H H 2 8.422 8.422 8.196 0.226 19637 13827 1 18 . 1 1 3 3 GLU N N 3 113.500 113.500 118.808 -5.308 19637 13828 1 18 . 1 1 3 3 GLU C C 3 174.619 174.619 174.812 -0.193 19637 13829 1 18 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.216 -2.554 19637 13830 1 18 . 1 1 3 3 GLU CB C 3 29.415 29.415 32.493 -3.078 19637 13831 1 18 . 1 1 3 3 GLU H H 3 6.642 6.642 7.794 -1.152 19637 13832 1 18 . 1 1 4 4 ALA N N 4 120.680 120.680 123.484 -2.804 19637 13833 1 18 . 1 1 4 4 ALA C C 4 178.439 178.439 177.292 1.147 19637 13834 1 18 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.951 -0.575 19637 13835 1 18 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.410 0.034 19637 13836 1 18 . 1 1 4 4 ALA H H 4 8.701 8.701 8.605 0.096 19637 13837 1 18 . 1 1 5 5 GLY N N 5 112.786 112.786 109.508 3.278 19637 13838 1 18 . 1 1 5 5 GLY C C 5 173.309 173.309 174.429 -1.120 19637 13839 1 18 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.548 -0.995 19637 13840 1 18 . 1 1 5 5 GLY H H 5 9.294 9.294 7.881 1.413 19637 13841 1 18 . 1 1 6 6 GLU N N 6 121.755 121.755 120.044 1.711 19637 13842 1 18 . 1 1 6 6 GLU C C 6 173.693 173.693 174.304 -0.611 19637 13843 1 18 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.935 0.083 19637 13844 1 18 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.323 0.865 19637 13845 1 18 . 1 1 6 6 GLU H H 6 7.955 7.955 7.891 0.064 19637 13846 1 18 . 1 1 7 7 PHE N N 7 124.802 124.802 125.803 -1.001 19637 13847 1 18 . 1 1 7 7 PHE C C 7 174.039 174.039 173.803 0.236 19637 13848 1 18 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.864 -1.531 19637 13849 1 18 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.429 1.312 19637 13850 1 18 . 1 1 7 7 PHE H H 7 8.648 8.648 8.407 0.241 19637 13851 1 18 . 1 1 8 8 PHE N N 8 121.132 121.132 125.958 -4.826 19637 13852 1 18 . 1 1 8 8 PHE C C 8 171.861 171.861 174.541 -2.680 19637 13853 1 18 . 1 1 8 8 PHE CA C 8 54.549 54.549 54.699 -0.150 19637 13854 1 18 . 1 1 8 8 PHE CB C 8 40.677 40.677 42.883 -2.206 19637 13855 1 18 . 1 1 8 8 PHE H H 8 8.574 8.574 9.147 -0.573 19637 13856 1 18 . 1 1 9 9 MET N N 9 120.391 120.391 120.242 0.149 19637 13857 1 18 . 1 1 9 9 MET C C 9 174.166 174.166 174.258 -0.092 19637 13858 1 18 . 1 1 9 9 MET CA C 9 52.199 52.199 54.674 -2.475 19637 13859 1 18 . 1 1 9 9 MET CB C 9 37.307 37.307 36.362 0.945 19637 13860 1 18 . 1 1 9 9 MET H H 9 8.541 8.541 9.058 -0.517 19637 13861 1 18 . 1 1 10 10 ARG N N 10 117.892 117.892 122.251 -4.359 19637 13862 1 18 . 1 1 10 10 ARG C C 10 175.289 175.289 174.196 1.093 19637 13863 1 18 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.877 -1.431 19637 13864 1 18 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.960 -3.594 19637 13865 1 18 . 1 1 10 10 ARG H H 10 8.357 8.357 8.474 -0.117 19637 13866 1 18 . 1 1 11 11 ALA N N 11 119.664 119.664 123.521 -3.857 19637 13867 1 18 . 1 1 11 11 ALA C C 11 176.057 176.057 175.569 0.488 19637 13868 1 18 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.243 -1.611 19637 13869 1 18 . 1 1 11 11 ALA CB C 11 21.518 21.518 22.413 -0.895 19637 13870 1 18 . 1 1 11 11 ALA H H 11 9.154 9.154 8.476 0.678 19637 13871 1 18 . 1 1 12 12 GLY N N 12 106.262 106.262 108.093 -1.831 19637 13872 1 18 . 1 1 12 12 GLY C C 12 172.068 172.068 171.829 0.239 19637 13873 1 18 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.564 -0.415 19637 13874 1 18 . 1 1 12 12 GLY H H 12 8.655 8.655 8.711 -0.056 19637 13875 1 18 . 1 1 13 13 SER N N 13 116.893 116.893 113.885 3.008 19637 13876 1 18 . 1 1 13 13 SER C C 13 173.604 173.604 173.602 0.002 19637 13877 1 18 . 1 1 13 13 SER CA C 13 56.367 56.367 57.672 -1.306 19637 13878 1 18 . 1 1 13 13 SER CB C 13 64.087 64.087 65.065 -0.978 19637 13879 1 18 . 1 1 13 13 SER H H 13 8.644 8.644 8.255 0.389 19637 13880 1 18 . 1 1 14 14 ALA N N 14 125.234 125.234 127.607 -2.373 19637 13881 1 18 . 1 1 14 14 ALA CA C 14 49.627 49.627 51.767 -2.140 19637 13882 1 18 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.629 -1.299 19637 13883 1 18 . 1 1 14 14 ALA H H 14 9.120 9.120 8.356 0.764 19637 13884 1 18 . 1 1 15 15 THR N N 15 121.303 121.303 116.476 4.827 19637 13885 1 18 . 1 1 15 15 THR C C 15 175.230 175.230 173.153 2.077 19637 13886 1 18 . 1 1 15 15 THR CA C 15 60.895 60.895 60.729 0.166 19637 13887 1 18 . 1 1 15 15 THR CB C 15 70.029 70.029 69.837 0.192 19637 13888 1 18 . 1 1 15 15 THR H H 15 9.351 9.351 7.995 1.356 19637 13889 1 18 . 1 1 16 16 VAL N N 16 126.781 126.781 125.021 1.760 19637 13890 1 18 . 1 1 16 16 VAL C C 16 174.432 174.432 175.631 -1.199 19637 13891 1 18 . 1 1 16 16 VAL CA C 16 60.806 60.806 60.677 0.129 19637 13892 1 18 . 1 1 16 16 VAL CB C 16 30.922 30.922 34.247 -3.325 19637 13893 1 18 . 1 1 16 16 VAL H H 16 9.110 9.110 8.677 0.433 19637 13894 1 18 . 1 1 17 17 ARG N N 17 129.806 129.806 127.313 2.493 19637 13895 1 18 . 1 1 17 17 ARG C C 17 173.440 173.440 175.275 -1.835 19637 13896 1 18 . 1 1 17 17 ARG CA C 17 51.407 51.407 53.366 -1.959 19637 13897 1 18 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.264 0.038 19637 13898 1 18 . 1 1 17 17 ARG H H 17 9.325 9.325 8.793 0.532 19637 13899 1 18 . 1 1 19 19 THR N N 19 114.402 114.402 113.256 1.146 19637 13900 1 18 . 1 1 19 19 THR CA C 19 61.022 61.022 60.847 0.175 19637 13901 1 18 . 1 1 19 19 THR CB C 19 69.142 69.142 70.523 -1.381 19637 13902 1 18 . 1 1 19 19 THR H H 19 8.021 8.021 8.156 -0.135 19637 13903 1 18 . 1 1 20 20 GLU N N 20 123.598 123.598 120.469 3.129 19637 13904 1 18 . 1 1 20 20 GLU C C 20 177.007 177.007 176.859 0.148 19637 13905 1 18 . 1 1 20 20 GLU CA C 20 55.480 55.480 57.723 -2.243 19637 13906 1 18 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.831 -1.037 19637 13907 1 18 . 1 1 20 20 GLU H H 20 8.601 8.601 8.548 0.053 19637 13908 1 18 . 1 1 21 21 GLY N N 21 110.237 110.237 107.314 2.923 19637 13909 1 18 . 1 1 21 21 GLY C C 21 174.077 174.077 173.703 0.374 19637 13910 1 18 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.438 -0.777 19637 13911 1 18 . 1 1 21 21 GLY H H 21 8.530 8.530 8.416 0.114 19637 13912 1 18 . 1 1 22 22 ALA N N 22 123.476 123.476 126.174 -2.698 19637 13913 1 18 . 1 1 22 22 ALA C C 22 178.158 178.158 177.585 0.573 19637 13914 1 18 . 1 1 22 22 ALA CA C 22 51.755 51.755 53.130 -1.375 19637 13915 1 18 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.517 -1.740 19637 13916 1 18 . 1 1 22 22 ALA H H 22 8.279 8.279 8.610 -0.331 19637 13917 1 18 . 1 1 23 23 GLY N N 23 107.265 107.265 106.296 0.969 19637 13918 1 18 . 1 1 23 23 GLY C C 23 174.727 174.727 173.319 1.408 19637 13919 1 18 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.190 -0.750 19637 13920 1 18 . 1 1 23 23 GLY H H 23 8.452 8.452 8.256 0.196 19637 13921 1 18 . 1 1 24 24 GLY N N 24 108.306 108.306 107.714 0.592 19637 13922 1 18 . 1 1 24 24 GLY C C 24 174.786 174.786 173.112 1.674 19637 13923 1 18 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.750 -1.310 19637 13924 1 18 . 1 1 24 24 GLY H H 24 8.221 8.221 7.938 0.283 19637 13925 1 18 . 1 1 25 25 THR N N 25 114.381 114.381 112.541 1.840 19637 13926 1 18 . 1 1 25 25 THR C C 25 175.170 175.170 175.010 0.160 19637 13927 1 18 . 1 1 25 25 THR CA C 25 61.599 61.599 62.437 -0.838 19637 13928 1 18 . 1 1 25 25 THR CB C 25 68.521 68.521 70.111 -1.590 19637 13929 1 18 . 1 1 25 25 THR H H 25 8.213 8.213 8.488 -0.275 19637 13930 1 18 . 1 1 26 26 LEU N N 26 123.038 123.038 120.193 2.845 19637 13931 1 18 . 1 1 26 26 LEU C C 26 177.918 177.918 176.613 1.305 19637 13932 1 18 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.545 -0.863 19637 13933 1 18 . 1 1 26 26 LEU CB C 26 40.145 40.145 42.532 -2.387 19637 13934 1 18 . 1 1 26 26 LEU H H 26 8.425 8.425 8.208 0.217 19637 13935 1 18 . 1 1 27 27 GLY N N 27 108.786 108.786 107.583 1.203 19637 13936 1 18 . 1 1 27 27 GLY C C 27 175.023 175.023 174.156 0.867 19637 13937 1 18 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.100 -0.261 19637 13938 1 18 . 1 1 27 27 GLY H H 27 8.260 8.260 8.312 -0.052 19637 13939 1 18 . 1 1 28 28 SER N N 28 116.175 116.175 114.586 1.589 19637 13940 1 18 . 1 1 28 28 SER CA C 28 58.140 58.140 58.172 -0.032 19637 13941 1 18 . 1 1 28 28 SER CB C 28 62.846 62.846 65.320 -2.474 19637 13942 1 18 . 1 1 28 28 SER H H 28 8.330 8.330 7.735 0.595 19637 13943 1 18 . 1 1 29 29 LEU N N 29 122.260 122.260 120.271 1.989 19637 13944 1 18 . 1 1 29 29 LEU C C 29 177.512 177.512 176.000 1.512 19637 13945 1 18 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.630 -1.214 19637 13946 1 18 . 1 1 29 29 LEU CB C 29 40.322 40.322 41.423 -1.101 19637 13947 1 18 . 1 1 29 29 LEU H H 29 8.157 8.157 8.633 -0.476 19637 13948 1 18 . 1 1 30 30 GLY N N 30 107.575 107.575 106.326 1.249 19637 13949 1 18 . 1 1 30 30 GLY C C 30 174.225 174.225 174.542 -0.317 19637 13950 1 18 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.617 -0.089 19637 13951 1 18 . 1 1 30 30 GLY H H 30 8.144 8.144 8.353 -0.209 19637 13952 1 18 . 1 1 31 31 GLY N N 31 107.996 107.996 107.491 0.505 19637 13953 1 18 . 1 1 31 31 GLY C C 31 173.664 173.664 173.829 -0.165 19637 13954 1 18 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.600 -0.382 19637 13955 1 18 . 1 1 31 31 GLY H H 31 8.044 8.044 7.615 0.429 19637 13956 1 18 . 1 1 32 32 PHE N N 32 119.248 119.248 123.507 -4.259 19637 13957 1 18 . 1 1 32 32 PHE C C 32 175.495 175.495 175.931 -0.436 19637 13958 1 18 . 1 1 32 32 PHE CA C 32 56.373 56.373 59.258 -2.885 19637 13959 1 18 . 1 1 32 32 PHE CB C 32 39.258 39.258 40.389 -1.131 19637 13960 1 18 . 1 1 32 32 PHE H H 32 8.181 8.181 8.037 0.144 19637 13961 1 18 . 1 1 33 33 SER N N 33 117.720 117.720 115.575 2.145 19637 13962 1 18 . 1 1 33 33 SER C C 33 173.368 173.368 173.047 0.321 19637 13963 1 18 . 1 1 33 33 SER CA C 33 55.746 55.746 58.221 -2.475 19637 13964 1 18 . 1 1 33 33 SER CB C 33 64.265 64.265 63.530 0.735 19637 13965 1 18 . 1 1 33 33 SER H H 33 8.771 8.771 7.282 1.489 19637 13966 1 18 . 1 1 34 34 VAL N N 34 123.007 123.007 117.777 5.230 19637 13967 1 18 . 1 1 34 34 VAL CA C 34 59.426 59.426 59.789 -0.363 19637 13968 1 18 . 1 1 34 34 VAL CB C 34 32.785 32.785 34.767 -1.982 19637 13969 1 18 . 1 1 34 34 VAL H H 34 8.525 8.525 8.029 0.496 19637 13970 1 18 . 1 1 35 35 THR N N 35 115.459 115.459 114.352 1.107 19637 13971 1 18 . 1 1 35 35 THR CA C 35 61.200 61.200 62.263 -1.063 19637 13972 1 18 . 1 1 35 35 THR CB C 35 69.851 69.851 70.631 -0.780 19637 13973 1 18 . 1 1 35 35 THR H H 35 8.147 8.147 8.557 -0.410 19637 13974 1 18 . 1 1 36 36 ASN N N 36 118.274 118.274 124.900 -6.626 19637 13975 1 18 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.866 -1.459 19637 13976 1 18 . 1 1 36 36 ASN CB C 36 38.105 38.105 38.268 -0.163 19637 13977 1 18 . 1 1 36 36 ASN H H 36 8.719 8.719 8.771 -0.052 19637 13978 1 18 . 1 1 37 37 ASN N N 37 115.657 115.657 117.225 -1.568 19637 13979 1 18 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.050 1.815 19637 13980 1 18 . 1 1 37 37 ASN CB C 37 44.312 44.312 39.344 4.968 19637 13981 1 18 . 1 1 37 37 ASN H H 37 8.432 8.432 7.598 0.834 19637 13982 1 18 . 1 1 38 38 THR N N 38 122.444 122.444 113.357 9.087 19637 13983 1 18 . 1 1 38 38 THR CA C 38 61.288 61.288 62.483 -1.194 19637 13984 1 18 . 1 1 38 38 THR CB C 38 69.142 69.142 69.162 -0.020 19637 13985 1 18 . 1 1 38 38 THR H H 38 8.095 8.095 8.137 -0.042 19637 13986 1 18 . 1 1 40 40 LEU N N 40 120.457 120.457 122.309 -1.852 19637 13987 1 18 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.433 -0.106 19637 13988 1 18 . 1 1 40 40 LEU CB C 40 41.218 41.218 42.998 -1.780 19637 13989 1 18 . 1 1 40 40 LEU H H 40 6.902 6.902 8.408 -1.506 19637 13990 1 18 . 1 1 41 41 GLY N N 41 111.223 111.223 114.856 -3.633 19637 13991 1 18 . 1 1 41 41 GLY C C 41 171.034 171.034 172.480 -1.446 19637 13992 1 18 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.527 -1.684 19637 13993 1 18 . 1 1 41 41 GLY H H 41 8.978 8.978 8.669 0.309 19637 13994 1 18 . 1 1 42 42 LEU N N 42 122.123 122.123 122.416 -0.293 19637 13995 1 18 . 1 1 42 42 LEU C C 42 175.350 175.350 174.909 0.441 19637 13996 1 18 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.913 -1.758 19637 13997 1 18 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.063 0.313 19637 13998 1 18 . 1 1 42 42 LEU H H 42 8.679 8.679 8.386 0.293 19637 13999 1 18 . 1 1 43 43 THR N N 43 109.917 109.917 115.743 -5.826 19637 14000 1 18 . 1 1 43 43 THR C C 43 173.516 173.516 172.364 1.152 19637 14001 1 18 . 1 1 43 43 THR CA C 43 58.057 58.057 61.431 -3.374 19637 14002 1 18 . 1 1 43 43 THR CB C 43 70.029 70.029 71.539 -1.510 19637 14003 1 18 . 1 1 43 43 THR H H 43 8.792 8.792 8.740 0.052 19637 14004 1 18 . 1 1 44 44 PHE N N 44 118.699 118.699 125.012 -6.313 19637 14005 1 18 . 1 1 44 44 PHE C C 44 173.917 173.917 174.631 -0.714 19637 14006 1 18 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.595 -1.115 19637 14007 1 18 . 1 1 44 44 PHE CB C 44 40.765 40.765 43.482 -2.717 19637 14008 1 18 . 1 1 44 44 PHE H H 44 8.566 8.566 8.857 -0.291 19637 14009 1 18 . 1 1 45 45 THR N N 45 118.229 118.229 117.215 1.014 19637 14010 1 18 . 1 1 45 45 THR C C 45 170.886 170.886 172.274 -1.388 19637 14011 1 18 . 1 1 45 45 THR CA C 45 60.097 60.097 61.478 -1.381 19637 14012 1 18 . 1 1 45 45 THR CB C 45 68.433 68.433 71.764 -3.331 19637 14013 1 18 . 1 1 45 45 THR H H 45 7.903 7.903 8.870 -0.967 19637 14014 1 18 . 1 1 46 46 TYR N N 46 124.450 124.450 128.470 -4.020 19637 14015 1 18 . 1 1 46 46 TYR C C 46 174.254 174.254 173.795 0.459 19637 14016 1 18 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.198 -2.048 19637 14017 1 18 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.224 1.049 19637 14018 1 18 . 1 1 46 46 TYR H H 46 8.941 8.941 8.902 0.039 19637 14019 1 18 . 1 1 47 47 MET N N 47 123.598 123.598 126.582 -2.984 19637 14020 1 18 . 1 1 47 47 MET C C 47 175.082 175.082 175.586 -0.504 19637 14021 1 18 . 1 1 47 47 MET CA C 47 50.425 50.425 54.517 -4.093 19637 14022 1 18 . 1 1 47 47 MET CB C 47 26.222 26.222 33.495 -7.273 19637 14023 1 18 . 1 1 47 47 MET H H 47 7.798 7.798 8.304 -0.506 19637 14024 1 18 . 1 1 48 48 ALA N N 48 129.975 129.975 129.893 0.082 19637 14025 1 18 . 1 1 48 48 ALA C C 48 178.568 178.568 177.019 1.549 19637 14026 1 18 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.556 -1.252 19637 14027 1 18 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.523 -1.811 19637 14028 1 18 . 1 1 48 48 ALA H H 48 8.717 8.717 8.795 -0.078 19637 14029 1 18 . 1 1 49 49 THR N N 49 106.011 106.011 111.092 -5.081 19637 14030 1 18 . 1 1 49 49 THR C C 49 171.950 171.950 173.093 -1.143 19637 14031 1 18 . 1 1 49 49 THR CA C 49 57.786 57.786 62.579 -4.793 19637 14032 1 18 . 1 1 49 49 THR CB C 49 70.535 70.535 67.994 2.541 19637 14033 1 18 . 1 1 49 49 THR H H 49 8.072 8.072 7.906 0.166 19637 14034 1 18 . 1 1 50 50 ASP N N 50 114.062 114.062 121.298 -7.236 19637 14035 1 18 . 1 1 50 50 ASP C C 50 175.318 175.318 174.842 0.476 19637 14036 1 18 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.406 0.370 19637 14037 1 18 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.765 -0.975 19637 14038 1 18 . 1 1 50 50 ASP H H 50 8.390 8.390 8.313 0.077 19637 14039 1 18 . 1 1 51 51 ASN N N 51 111.850 111.850 115.361 -3.511 19637 14040 1 18 . 1 1 51 51 ASN C C 51 171.684 171.684 174.044 -2.360 19637 14041 1 18 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.684 -0.268 19637 14042 1 18 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.197 2.036 19637 14043 1 18 . 1 1 51 51 ASN H H 51 7.887 7.887 8.427 -0.540 19637 14044 1 18 . 1 1 52 52 ILE N N 52 118.929 118.929 111.535 7.394 19637 14045 1 18 . 1 1 52 52 ILE C C 52 175.495 175.495 175.195 0.300 19637 14046 1 18 . 1 1 52 52 ILE CA C 52 59.648 59.648 58.927 0.721 19637 14047 1 18 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.359 -2.875 19637 14048 1 18 . 1 1 52 52 ILE H H 52 7.707 7.707 7.329 0.378 19637 14049 1 18 . 1 1 53 53 GLY N N 53 114.998 114.998 112.938 2.060 19637 14050 1 18 . 1 1 53 53 GLY C C 53 171.536 171.536 173.522 -1.986 19637 14051 1 18 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.892 -0.960 19637 14052 1 18 . 1 1 53 53 GLY H H 53 8.678 8.678 8.756 -0.078 19637 14053 1 18 . 1 1 54 54 VAL N N 54 118.327 118.327 120.251 -1.924 19637 14054 1 18 . 1 1 54 54 VAL C C 54 173.309 173.309 173.956 -0.647 19637 14055 1 18 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.093 -1.445 19637 14056 1 18 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.199 -1.326 19637 14057 1 18 . 1 1 54 54 VAL H H 54 8.734 8.734 8.674 0.060 19637 14058 1 18 . 1 1 55 55 GLU N N 55 126.907 126.907 125.480 1.427 19637 14059 1 18 . 1 1 55 55 GLU C C 55 173.575 173.575 174.080 -0.505 19637 14060 1 18 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.855 -1.586 19637 14061 1 18 . 1 1 55 55 GLU CB C 55 34.727 34.727 34.455 0.272 19637 14062 1 18 . 1 1 55 55 GLU H H 55 9.084 9.084 8.853 0.231 19637 14063 1 18 . 1 1 56 56 LEU N N 56 126.739 126.739 119.948 6.791 19637 14064 1 18 . 1 1 56 56 LEU C C 56 174.786 174.786 175.288 -0.502 19637 14065 1 18 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.291 -2.357 19637 14066 1 18 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.278 -0.256 19637 14067 1 18 . 1 1 56 56 LEU H H 56 9.168 9.168 8.396 0.772 19637 14068 1 18 . 1 1 57 57 LEU N N 57 127.189 127.189 122.667 4.522 19637 14069 1 18 . 1 1 57 57 LEU C C 57 174.579 174.579 174.397 0.182 19637 14070 1 18 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.018 0.073 19637 14071 1 18 . 1 1 57 57 LEU CB C 57 43.160 43.160 46.108 -2.948 19637 14072 1 18 . 1 1 57 57 LEU H H 57 9.174 9.174 8.863 0.311 19637 14073 1 18 . 1 1 58 58 ALA N N 58 125.061 125.061 124.880 0.181 19637 14074 1 18 . 1 1 58 58 ALA C C 58 172.925 172.925 175.481 -2.556 19637 14075 1 18 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.897 -1.973 19637 14076 1 18 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.258 -1.179 19637 14077 1 18 . 1 1 58 58 ALA H H 58 9.435 9.435 8.290 1.145 19637 14078 1 18 . 1 1 59 59 ALA N N 59 116.911 116.911 124.743 -7.832 19637 14079 1 18 . 1 1 59 59 ALA C C 59 176.248 176.248 176.310 -0.062 19637 14080 1 18 . 1 1 59 59 ALA CA C 59 50.071 50.071 52.251 -2.179 19637 14081 1 18 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.334 -1.675 19637 14082 1 18 . 1 1 59 59 ALA H H 59 6.833 6.833 8.044 -1.211 19637 14083 1 18 . 1 1 60 60 THR N N 60 105.771 105.771 115.754 -9.983 19637 14084 1 18 . 1 1 60 60 THR C C 60 170.975 170.975 173.350 -2.375 19637 14085 1 18 . 1 1 60 60 THR CA C 60 59.515 59.515 62.250 -2.735 19637 14086 1 18 . 1 1 60 60 THR CB C 60 63.487 63.487 68.878 -5.391 19637 14087 1 18 . 1 1 60 60 THR H H 60 7.718 7.718 8.544 -0.826 19637 14088 1 18 . 1 1 62 62 PHE N N 62 122.473 122.473 116.609 5.864 19637 14089 1 18 . 1 1 62 62 PHE C C 62 174.934 174.934 174.718 0.216 19637 14090 1 18 . 1 1 62 62 PHE CA C 62 56.721 56.721 56.825 -0.104 19637 14091 1 18 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.087 0.526 19637 14092 1 18 . 1 1 62 62 PHE H H 62 8.251 8.251 7.435 0.816 19637 14093 1 18 . 1 1 63 63 ARG N N 63 118.016 118.016 122.775 -4.759 19637 14094 1 18 . 1 1 63 63 ARG C C 63 174.423 174.423 174.916 -0.493 19637 14095 1 18 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.107 -2.459 19637 14096 1 18 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.864 -0.966 19637 14097 1 18 . 1 1 63 63 ARG H H 63 7.378 7.378 8.494 -1.116 19637 14098 1 18 . 1 1 64 64 HIS N N 64 120.040 120.040 120.423 -0.383 19637 14099 1 18 . 1 1 64 64 HIS CA C 64 52.953 52.953 56.268 -3.315 19637 14100 1 18 . 1 1 64 64 HIS H H 64 8.588 8.588 8.561 0.027 19637 14101 1 18 . 1 1 66 66 ILE N N 66 122.668 122.668 119.207 3.461 19637 14102 1 18 . 1 1 66 66 ILE C C 66 175.141 175.141 174.318 0.823 19637 14103 1 18 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.711 -1.748 19637 14104 1 18 . 1 1 66 66 ILE CB C 66 38.637 38.637 39.895 -1.258 19637 14105 1 18 . 1 1 66 66 ILE H H 66 8.726 8.726 7.838 0.888 19637 14106 1 18 . 1 1 67 67 GLY N N 67 114.948 114.948 112.315 2.633 19637 14107 1 18 . 1 1 67 67 GLY C C 67 172.570 172.570 173.576 -1.006 19637 14108 1 18 . 1 1 67 67 GLY CA C 67 44.129 44.129 45.033 -0.904 19637 14109 1 18 . 1 1 67 67 GLY H H 67 8.780 8.780 8.261 0.519 19637 14110 1 18 . 1 1 68 68 THR N N 68 106.079 106.079 115.519 -9.440 19637 14111 1 18 . 1 1 68 68 THR C C 68 175.574 175.574 175.981 -0.407 19637 14112 1 18 . 1 1 68 68 THR CA C 68 58.672 58.672 62.378 -3.706 19637 14113 1 18 . 1 1 68 68 THR CB C 68 71.270 71.270 69.249 2.021 19637 14114 1 18 . 1 1 68 68 THR H H 68 7.431 7.431 8.431 -1.000 19637 14115 1 18 . 1 1 69 69 ARG N N 69 122.303 122.303 121.269 1.034 19637 14116 1 18 . 1 1 69 69 ARG C C 69 178.298 178.298 177.584 0.714 19637 14117 1 18 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.543 -0.314 19637 14118 1 18 . 1 1 69 69 ARG CB C 69 28.173 28.173 29.610 -1.437 19637 14119 1 18 . 1 1 69 69 ARG H H 69 8.783 8.783 8.710 0.073 19637 14120 1 18 . 1 1 70 70 ALA N N 70 117.681 117.681 117.932 -0.251 19637 14121 1 18 . 1 1 70 70 ALA C C 70 179.281 179.281 178.326 0.955 19637 14122 1 18 . 1 1 70 70 ALA CA C 70 53.269 53.269 53.471 -0.202 19637 14123 1 18 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.845 -0.870 19637 14124 1 18 . 1 1 70 70 ALA H H 70 8.262 8.262 8.538 -0.276 19637 14125 1 18 . 1 1 71 71 THR N N 71 105.486 105.486 110.773 -5.287 19637 14126 1 18 . 1 1 71 71 THR C C 71 176.136 176.136 174.858 1.278 19637 14127 1 18 . 1 1 71 71 THR CA C 71 60.895 60.895 63.204 -2.309 19637 14128 1 18 . 1 1 71 71 THR CB C 71 70.383 70.383 69.220 1.163 19637 14129 1 18 . 1 1 71 71 THR H H 71 7.473 7.473 7.865 -0.392 19637 14130 1 18 . 1 1 72 72 GLY N N 72 111.099 111.099 110.552 0.547 19637 14131 1 18 . 1 1 72 72 GLY C C 72 175.052 175.052 174.563 0.489 19637 14132 1 18 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.667 -1.621 19637 14133 1 18 . 1 1 72 72 GLY H H 72 8.194 8.194 7.357 0.837 19637 14134 1 18 . 1 1 73 73 ASP N N 73 121.919 121.919 122.661 -0.742 19637 14135 1 18 . 1 1 73 73 ASP C C 73 177.889 177.889 175.545 2.344 19637 14136 1 18 . 1 1 73 73 ASP CA C 73 55.042 55.042 56.322 -1.280 19637 14137 1 18 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.159 -2.635 19637 14138 1 18 . 1 1 73 73 ASP H H 73 8.668 8.668 8.215 0.453 19637 14139 1 18 . 1 1 74 74 ILE N N 74 117.113 117.113 114.954 2.159 19637 14140 1 18 . 1 1 74 74 ILE C C 74 175.013 175.013 173.326 1.687 19637 14141 1 18 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.300 -1.386 19637 14142 1 18 . 1 1 74 74 ILE CB C 74 41.297 41.297 38.598 2.699 19637 14143 1 18 . 1 1 74 74 ILE H H 74 9.327 9.327 7.342 1.985 19637 14144 1 18 . 1 1 75 75 ALA N N 75 121.329 121.329 131.720 -10.391 19637 14145 1 18 . 1 1 75 75 ALA CA C 75 50.425 50.425 52.323 -1.898 19637 14146 1 18 . 1 1 75 75 ALA CB C 75 21.523 21.523 20.644 0.879 19637 14147 1 18 . 1 1 75 75 ALA H H 75 8.086 8.086 7.979 0.107 19637 14148 1 18 . 1 1 76 76 THR N N 76 116.168 116.168 113.745 2.423 19637 14149 1 18 . 1 1 76 76 THR C C 76 173.043 173.043 172.568 0.475 19637 14150 1 18 . 1 1 76 76 THR CA C 76 60.540 60.540 60.743 -0.203 19637 14151 1 18 . 1 1 76 76 THR CB C 76 69.674 69.674 71.473 -1.799 19637 14152 1 18 . 1 1 76 76 THR H H 76 8.539 8.539 7.826 0.713 19637 14153 1 18 . 1 1 77 77 VAL N N 77 117.996 117.996 113.817 4.179 19637 14154 1 18 . 1 1 77 77 VAL C C 77 174.964 174.964 174.503 0.461 19637 14155 1 18 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.618 -2.270 19637 14156 1 18 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.567 -0.541 19637 14157 1 18 . 1 1 77 77 VAL H H 77 8.578 8.578 8.038 0.540 19637 14158 1 18 . 1 1 78 78 HIS N N 78 116.541 116.541 120.825 -4.284 19637 14159 1 18 . 1 1 78 78 HIS C C 78 173.634 173.634 174.002 -0.368 19637 14160 1 18 . 1 1 78 78 HIS CA C 78 52.825 52.825 57.423 -4.598 19637 14161 1 18 . 1 1 78 78 HIS CB C 78 29.947 29.947 29.857 0.090 19637 14162 1 18 . 1 1 78 78 HIS H H 78 7.822 7.822 8.780 -0.958 19637 14163 1 18 . 1 1 79 79 HIS N N 79 113.176 113.176 124.351 -11.175 19637 14164 1 18 . 1 1 79 79 HIS C C 79 173.841 173.841 173.156 0.685 19637 14165 1 18 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.402 0.014 19637 14166 1 18 . 1 1 79 79 HIS CB C 79 34.026 34.026 32.631 1.395 19637 14167 1 18 . 1 1 79 79 HIS H H 79 7.912 7.912 8.348 -0.436 19637 14168 1 18 . 1 1 80 80 LEU N N 80 118.153 118.153 124.482 -6.329 19637 14169 1 18 . 1 1 80 80 LEU C C 80 177.821 177.821 176.242 1.579 19637 14170 1 18 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.552 -1.393 19637 14171 1 18 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.479 3.784 19637 14172 1 18 . 1 1 80 80 LEU H H 80 8.205 8.205 7.929 0.276 19637 14173 1 18 . 1 1 83 83 THR N N 83 115.326 115.326 117.581 -2.255 19637 14174 1 18 . 1 1 83 83 THR C C 83 171.362 171.362 173.029 -1.667 19637 14175 1 18 . 1 1 83 83 THR CA C 83 60.540 60.540 60.170 0.370 19637 14176 1 18 . 1 1 83 83 THR CB C 83 72.068 72.068 71.913 0.155 19637 14177 1 18 . 1 1 83 83 THR H H 83 7.688 7.688 8.427 -0.739 19637 14178 1 18 . 1 1 84 84 LEU N N 84 129.848 129.848 127.877 1.971 19637 14179 1 18 . 1 1 84 84 LEU C C 84 174.373 174.373 175.264 -0.891 19637 14180 1 18 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.744 -2.323 19637 14181 1 18 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.007 0.750 19637 14182 1 18 . 1 1 84 84 LEU H H 84 9.013 9.013 8.476 0.537 19637 14183 1 18 . 1 1 85 85 MET N N 85 121.374 121.374 122.507 -1.133 19637 14184 1 18 . 1 1 85 85 MET C C 85 175.407 175.407 173.510 1.897 19637 14185 1 18 . 1 1 85 85 MET CA C 85 52.421 52.421 54.264 -1.843 19637 14186 1 18 . 1 1 85 85 MET CB C 85 34.558 34.558 37.002 -2.444 19637 14187 1 18 . 1 1 85 85 MET H H 85 9.823 9.823 9.292 0.531 19637 14188 1 18 . 1 1 86 86 ALA N N 86 123.689 123.689 122.296 1.393 19637 14189 1 18 . 1 1 86 86 ALA C C 86 176.205 176.205 175.931 0.274 19637 14190 1 18 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.243 -0.438 19637 14191 1 18 . 1 1 86 86 ALA CB C 86 18.951 18.951 21.971 -3.020 19637 14192 1 18 . 1 1 86 86 ALA H H 86 9.080 9.080 8.441 0.639 19637 14193 1 18 . 1 1 87 87 GLN N N 87 116.548 116.548 121.717 -5.169 19637 14194 1 18 . 1 1 87 87 GLN C C 87 175.495 175.495 174.716 0.779 19637 14195 1 18 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.505 -2.147 19637 14196 1 18 . 1 1 87 87 GLN CB C 87 34.292 34.292 31.056 3.236 19637 14197 1 18 . 1 1 87 87 GLN H H 87 9.061 9.061 8.442 0.619 19637 14198 1 18 . 1 1 88 88 TRP N N 88 119.609 119.609 126.401 -6.792 19637 14199 1 18 . 1 1 88 88 TRP C C 88 174.727 174.727 173.343 1.384 19637 14200 1 18 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.032 -1.078 19637 14201 1 18 . 1 1 88 88 TRP CB C 88 30.479 30.479 33.921 -3.442 19637 14202 1 18 . 1 1 88 88 TRP H H 88 8.893 8.893 8.834 0.059 19637 14203 1 18 . 1 1 89 89 TYR N N 89 124.849 124.849 121.207 3.642 19637 14204 1 18 . 1 1 89 89 TYR C C 89 176.382 176.382 173.573 2.809 19637 14205 1 18 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.605 -0.563 19637 14206 1 18 . 1 1 89 89 TYR H H 89 8.815 8.815 7.383 1.432 19637 14207 1 18 . 1 1 90 90 PHE N N 90 122.137 122.137 127.286 -5.149 19637 14208 1 18 . 1 1 90 90 PHE C C 90 176.304 176.304 174.928 1.376 19637 14209 1 18 . 1 1 90 90 PHE CA C 90 57.821 57.821 57.125 0.696 19637 14210 1 18 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.411 -0.951 19637 14211 1 18 . 1 1 90 90 PHE H H 90 9.171 9.171 8.868 0.303 19637 14212 1 18 . 1 1 91 91 GLY N N 91 108.961 108.961 110.314 -1.353 19637 14213 1 18 . 1 1 91 91 GLY C C 91 172.748 172.748 172.938 -0.190 19637 14214 1 18 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.855 -1.524 19637 14215 1 18 . 1 1 91 91 GLY H H 91 9.342 9.342 7.766 1.576 19637 14216 1 18 . 1 1 92 92 ASP N N 92 119.869 119.869 119.363 0.506 19637 14217 1 18 . 1 1 92 92 ASP C C 92 175.968 175.968 175.480 0.488 19637 14218 1 18 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.744 -3.122 19637 14219 1 18 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.783 -0.220 19637 14220 1 18 . 1 1 92 92 ASP H H 92 8.612 8.612 8.491 0.121 19637 14221 1 18 . 1 1 93 93 ALA N N 93 117.665 117.665 120.566 -2.901 19637 14222 1 18 . 1 1 93 93 ALA C C 93 178.748 178.748 176.799 1.949 19637 14223 1 18 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.407 0.772 19637 14224 1 18 . 1 1 93 93 ALA CB C 93 16.911 16.911 17.602 -0.691 19637 14225 1 18 . 1 1 93 93 ALA H H 93 8.673 8.673 8.071 0.602 19637 14226 1 18 . 1 1 94 94 SER N N 94 115.062 115.062 112.198 2.864 19637 14227 1 18 . 1 1 94 94 SER C C 94 175.348 175.348 174.717 0.631 19637 14228 1 18 . 1 1 94 94 SER CA C 94 58.185 58.185 59.529 -1.344 19637 14229 1 18 . 1 1 94 94 SER CB C 94 62.757 62.757 63.548 -0.791 19637 14230 1 18 . 1 1 94 94 SER H H 94 8.902 8.902 8.330 0.572 19637 14231 1 18 . 1 1 95 95 SER N N 95 120.754 120.754 115.107 5.647 19637 14232 1 18 . 1 1 95 95 SER CA C 95 58.451 58.451 56.520 1.931 19637 14233 1 18 . 1 1 95 95 SER CB C 95 62.580 62.580 64.640 -2.060 19637 14234 1 18 . 1 1 95 95 SER H H 95 7.922 7.922 7.234 0.688 19637 14235 1 18 . 1 1 96 96 LYS N N 96 120.924 120.924 120.013 0.911 19637 14236 1 18 . 1 1 96 96 LYS CA C 96 54.599 54.599 57.905 -3.306 19637 14237 1 18 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.254 -0.888 19637 14238 1 18 . 1 1 96 96 LYS H H 96 8.555 8.555 8.339 0.216 19637 14239 1 18 . 1 1 97 97 PHE N N 97 117.773 117.773 113.484 4.289 19637 14240 1 18 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.974 -1.286 19637 14241 1 18 . 1 1 97 97 PHE CB C 97 40.322 40.322 39.566 0.756 19637 14242 1 18 . 1 1 97 97 PHE H H 97 7.596 7.596 7.101 0.495 19637 14243 1 18 . 1 1 98 98 ARG N N 98 120.982 120.982 118.844 2.138 19637 14244 1 18 . 1 1 98 98 ARG C C 98 173.047 173.047 174.039 -0.992 19637 14245 1 18 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.237 -0.766 19637 14246 1 18 . 1 1 98 98 ARG CB C 98 31.632 31.632 33.172 -1.540 19637 14247 1 18 . 1 1 98 98 ARG H H 98 8.823 8.823 8.698 0.125 19637 14248 1 18 . 1 1 100 100 TYR N N 100 117.775 117.775 123.954 -6.179 19637 14249 1 18 . 1 1 100 100 TYR C C 100 173.047 173.047 174.279 -1.232 19637 14250 1 18 . 1 1 100 100 TYR CA C 100 54.954 54.954 56.769 -1.815 19637 14251 1 18 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.061 0.463 19637 14252 1 18 . 1 1 100 100 TYR H H 100 8.885 8.885 8.588 0.297 19637 14253 1 18 . 1 1 101 101 VAL N N 101 111.744 111.744 128.229 -16.485 19637 14254 1 18 . 1 1 101 101 VAL C C 101 173.457 173.457 175.238 -1.781 19637 14255 1 18 . 1 1 101 101 VAL CA C 101 57.105 57.105 61.501 -4.396 19637 14256 1 18 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.733 2.648 19637 14257 1 18 . 1 1 101 101 VAL H H 101 8.365 8.365 8.470 -0.105 19637 14258 1 18 . 1 1 102 102 GLY N N 102 108.300 108.300 115.175 -6.875 19637 14259 1 18 . 1 1 102 102 GLY C C 102 171.241 171.241 172.478 -1.237 19637 14260 1 18 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.276 1.696 19637 14261 1 18 . 1 1 102 102 GLY H H 102 8.271 8.271 8.626 -0.355 19637 14262 1 18 . 1 1 103 103 ALA N N 103 120.836 120.836 124.474 -3.638 19637 14263 1 18 . 1 1 103 103 ALA C C 103 175.614 175.614 175.784 -0.170 19637 14264 1 18 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.165 -2.332 19637 14265 1 18 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.228 0.490 19637 14266 1 18 . 1 1 103 103 ALA H H 103 9.048 9.048 8.034 1.014 19637 14267 1 18 . 1 1 104 104 GLY N N 104 107.477 107.477 110.319 -2.842 19637 14268 1 18 . 1 1 104 104 GLY C C 104 171.832 171.832 172.646 -0.814 19637 14269 1 18 . 1 1 104 104 GLY CA C 104 46.479 46.479 45.559 0.920 19637 14270 1 18 . 1 1 104 104 GLY H H 104 8.661 8.661 8.264 0.397 19637 14271 1 18 . 1 1 105 105 ILE N N 105 118.575 118.575 120.221 -1.646 19637 14272 1 18 . 1 1 105 105 ILE C C 105 172.275 172.275 174.084 -1.809 19637 14273 1 18 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.467 -3.119 19637 14274 1 18 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.928 -0.276 19637 14275 1 18 . 1 1 105 105 ILE H H 105 9.020 9.020 8.498 0.522 19637 14276 1 18 . 1 1 106 106 ASN N N 106 123.879 123.879 125.557 -1.678 19637 14277 1 18 . 1 1 106 106 ASN C C 106 171.418 171.418 174.050 -2.632 19637 14278 1 18 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.969 -0.385 19637 14279 1 18 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.522 0.332 19637 14280 1 18 . 1 1 106 106 ASN H H 106 9.659 9.659 8.553 1.106 19637 14281 1 18 . 1 1 107 107 TYR N N 107 125.744 125.744 127.408 -1.664 19637 14282 1 18 . 1 1 107 107 TYR C C 107 173.073 173.073 174.926 -1.853 19637 14283 1 18 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.928 -3.424 19637 14284 1 18 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.852 1.002 19637 14285 1 18 . 1 1 107 107 TYR H H 107 8.273 8.273 8.683 -0.410 19637 14286 1 18 . 1 1 108 108 THR N N 108 119.337 119.337 124.452 -5.115 19637 14287 1 18 . 1 1 108 108 THR C C 108 172.457 172.457 173.254 -0.797 19637 14288 1 18 . 1 1 108 108 THR CA C 108 60.452 60.452 61.237 -0.785 19637 14289 1 18 . 1 1 108 108 THR CB C 108 69.319 69.319 70.909 -1.590 19637 14290 1 18 . 1 1 108 108 THR H H 108 8.446 8.446 8.690 -0.244 19637 14291 1 18 . 1 1 109 109 THR N N 109 118.655 118.655 119.148 -0.493 19637 14292 1 18 . 1 1 109 109 THR C C 109 171.625 171.625 172.997 -1.372 19637 14293 1 18 . 1 1 109 109 THR CA C 109 56.810 56.810 60.802 -3.992 19637 14294 1 18 . 1 1 109 109 THR H H 109 7.548 7.548 8.413 -0.865 19637 14295 1 18 . 1 1 112 112 ASP N N 112 116.796 116.796 123.052 -6.256 19637 14296 1 18 . 1 1 112 112 ASP C C 112 175.490 175.490 173.695 1.795 19637 14297 1 18 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.246 -0.362 19637 14298 1 18 . 1 1 112 112 ASP CB C 112 37.662 37.662 41.527 -3.865 19637 14299 1 18 . 1 1 112 112 ASP H H 112 8.995 8.995 8.918 0.077 19637 14300 1 18 . 1 1 113 113 ASN N N 113 117.801 117.801 119.353 -1.552 19637 14301 1 18 . 1 1 113 113 ASN C C 113 175.702 175.702 174.888 0.814 19637 14302 1 18 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.759 -2.023 19637 14303 1 18 . 1 1 113 113 ASN CB C 113 39.348 39.348 41.758 -2.410 19637 14304 1 18 . 1 1 113 113 ASN H H 113 8.410 8.410 7.587 0.823 19637 14305 1 18 . 1 1 114 114 GLY N N 114 107.744 107.744 109.699 -1.955 19637 14306 1 18 . 1 1 114 114 GLY C C 114 171.979 171.979 175.149 -3.170 19637 14307 1 18 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.685 -0.891 19637 14308 1 18 . 1 1 114 114 GLY H H 114 8.557 8.557 8.467 0.090 19637 14309 1 18 . 1 1 115 115 PHE N N 115 119.554 119.554 121.175 -1.621 19637 14310 1 18 . 1 1 115 115 PHE C C 115 176.192 176.192 174.144 2.048 19637 14311 1 18 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.251 -0.761 19637 14312 1 18 . 1 1 115 115 PHE CB C 115 39.081 39.081 39.198 -0.117 19637 14313 1 18 . 1 1 115 115 PHE H H 115 8.607 8.607 7.967 0.640 19637 14314 1 18 . 1 1 116 116 ASN N N 116 120.356 120.356 117.670 2.686 19637 14315 1 18 . 1 1 116 116 ASN C C 116 175.407 175.407 175.363 0.044 19637 14316 1 18 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.667 -2.596 19637 14317 1 18 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.516 -3.475 19637 14318 1 18 . 1 1 116 116 ASN H H 116 8.240 8.240 8.425 -0.185 19637 14319 1 18 . 1 1 117 117 ASP N N 117 117.610 117.610 120.462 -2.852 19637 14320 1 18 . 1 1 117 117 ASP C C 117 178.298 178.298 178.532 -0.234 19637 14321 1 18 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.485 -1.137 19637 14322 1 18 . 1 1 117 117 ASP CB C 117 38.548 38.548 41.035 -2.487 19637 14323 1 18 . 1 1 117 117 ASP H H 117 8.460 8.460 8.713 -0.253 19637 14324 1 18 . 1 1 118 118 HIS N N 118 118.493 118.493 116.784 1.709 19637 14325 1 18 . 1 1 118 118 HIS C C 118 177.821 177.821 177.352 0.469 19637 14326 1 18 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.931 -2.165 19637 14327 1 18 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.998 -3.271 19637 14328 1 18 . 1 1 118 118 HIS H H 118 8.185 8.185 8.371 -0.186 19637 14329 1 18 . 1 1 119 119 GLY N N 119 107.937 107.937 106.696 1.241 19637 14330 1 18 . 1 1 119 119 GLY C C 119 175.082 175.082 176.108 -1.026 19637 14331 1 18 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.947 -0.335 19637 14332 1 18 . 1 1 119 119 GLY H H 119 8.788 8.788 8.559 0.229 19637 14333 1 18 . 1 1 120 120 LYS N N 120 122.898 122.898 122.128 0.770 19637 14334 1 18 . 1 1 120 120 LYS C C 120 181.612 181.612 178.998 2.614 19637 14335 1 18 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.724 -1.007 19637 14336 1 18 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.569 -1.913 19637 14337 1 18 . 1 1 120 120 LYS H H 120 8.890 8.890 8.574 0.316 19637 14338 1 18 . 1 1 121 121 GLU N N 121 120.995 120.995 117.317 3.678 19637 14339 1 18 . 1 1 121 121 GLU C C 121 177.327 177.327 176.996 0.331 19637 14340 1 18 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.217 -0.564 19637 14341 1 18 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.495 -1.765 19637 14342 1 18 . 1 1 121 121 GLU H H 121 8.234 8.234 7.913 0.321 19637 14343 1 18 . 1 1 122 122 ALA N N 122 119.811 119.811 119.571 0.240 19637 14344 1 18 . 1 1 122 122 ALA C C 122 176.500 176.500 177.403 -0.903 19637 14345 1 18 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.126 -0.083 19637 14346 1 18 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.208 -2.498 19637 14347 1 18 . 1 1 122 122 ALA H H 122 7.259 7.259 7.251 0.008 19637 14348 1 18 . 1 1 123 123 GLY N N 123 103.863 103.863 108.013 -4.150 19637 14349 1 18 . 1 1 123 123 GLY C C 123 175.082 175.082 174.787 0.295 19637 14350 1 18 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.809 -1.545 19637 14351 1 18 . 1 1 123 123 GLY H H 123 7.745 7.745 7.700 0.045 19637 14352 1 18 . 1 1 124 124 LEU N N 124 123.722 123.722 121.664 2.058 19637 14353 1 18 . 1 1 124 124 LEU C C 124 176.293 176.293 176.090 0.203 19637 14354 1 18 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.894 -0.625 19637 14355 1 18 . 1 1 124 124 LEU CB C 124 38.016 38.016 41.038 -3.022 19637 14356 1 18 . 1 1 124 124 LEU H H 124 7.461 7.461 8.144 -0.683 19637 14357 1 18 . 1 1 125 125 SER N N 125 114.112 114.112 116.442 -2.330 19637 14358 1 18 . 1 1 125 125 SER C C 125 173.250 173.250 173.211 0.039 19637 14359 1 18 . 1 1 125 125 SER CA C 125 57.259 57.259 59.106 -1.847 19637 14360 1 18 . 1 1 125 125 SER CB C 125 65.684 65.684 63.398 2.286 19637 14361 1 18 . 1 1 125 125 SER H H 125 8.809 8.809 8.278 0.531 19637 14362 1 18 . 1 1 126 126 ASP N N 126 117.817 117.817 121.417 -3.600 19637 14363 1 18 . 1 1 126 126 ASP C C 126 174.107 174.107 175.693 -1.586 19637 14364 1 18 . 1 1 126 126 ASP CA C 126 54.593 54.593 53.507 1.086 19637 14365 1 18 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.005 -1.279 19637 14366 1 18 . 1 1 126 126 ASP H H 126 9.035 9.035 8.641 0.394 19637 14367 1 18 . 1 1 127 127 LEU N N 127 120.160 120.160 118.401 1.759 19637 14368 1 18 . 1 1 127 127 LEU C C 127 176.726 176.726 176.684 0.042 19637 14369 1 18 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.603 -1.232 19637 14370 1 18 . 1 1 127 127 LEU CB C 127 40.322 40.322 43.083 -2.761 19637 14371 1 18 . 1 1 127 127 LEU H H 127 8.109 8.109 7.696 0.413 19637 14372 1 18 . 1 1 128 128 SER N N 128 120.909 120.909 113.757 7.152 19637 14373 1 18 . 1 1 128 128 SER C C 128 172.038 172.038 173.419 -1.381 19637 14374 1 18 . 1 1 128 128 SER CA C 128 57.120 57.120 61.570 -4.450 19637 14375 1 18 . 1 1 128 128 SER CB C 128 64.353 64.353 63.135 1.218 19637 14376 1 18 . 1 1 128 128 SER H H 128 9.499 9.499 8.304 1.195 19637 14377 1 18 . 1 1 129 129 LEU N N 129 122.260 122.260 121.251 1.009 19637 14378 1 18 . 1 1 129 129 LEU C C 129 176.411 176.411 176.064 0.347 19637 14379 1 18 . 1 1 129 129 LEU CA C 129 53.839 53.839 53.541 0.298 19637 14380 1 18 . 1 1 129 129 LEU CB C 129 42.539 42.539 45.321 -2.782 19637 14381 1 18 . 1 1 129 129 LEU H H 129 8.182 8.182 8.247 -0.065 19637 14382 1 18 . 1 1 130 130 LYS N N 130 122.490 122.490 122.351 0.139 19637 14383 1 18 . 1 1 130 130 LYS C C 130 176.754 176.754 176.188 0.566 19637 14384 1 18 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.221 -0.179 19637 14385 1 18 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.923 -1.405 19637 14386 1 18 . 1 1 130 130 LYS H H 130 7.536 7.536 8.505 -0.969 19637 14387 1 18 . 1 1 131 131 ASP N N 131 123.217 123.217 118.883 4.334 19637 14388 1 18 . 1 1 131 131 ASP C C 131 175.998 175.998 175.753 0.245 19637 14389 1 18 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.423 -0.963 19637 14390 1 18 . 1 1 131 131 ASP CB C 131 40.233 40.233 41.534 -1.301 19637 14391 1 18 . 1 1 131 131 ASP H H 131 8.782 8.782 8.462 0.320 19637 14392 1 18 . 1 1 132 132 SER N N 132 115.445 115.445 114.635 0.810 19637 14393 1 18 . 1 1 132 132 SER C C 132 171.920 171.920 172.894 -0.974 19637 14394 1 18 . 1 1 132 132 SER CA C 132 55.790 55.790 57.660 -1.870 19637 14395 1 18 . 1 1 132 132 SER CB C 132 64.087 64.087 64.262 -0.175 19637 14396 1 18 . 1 1 132 132 SER H H 132 9.016 9.016 8.427 0.589 19637 14397 1 18 . 1 1 133 133 TRP N N 133 124.389 124.389 125.105 -0.716 19637 14398 1 18 . 1 1 133 133 TRP C C 133 178.243 178.243 175.021 3.222 19637 14399 1 18 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.502 0.807 19637 14400 1 18 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.332 1.069 19637 14401 1 18 . 1 1 133 133 TRP H H 133 7.896 7.896 7.910 -0.014 19637 14402 1 18 . 1 1 134 134 GLY N N 134 107.658 107.658 110.135 -2.477 19637 14403 1 18 . 1 1 134 134 GLY C C 134 171.123 171.123 171.993 -0.870 19637 14404 1 18 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.944 -0.194 19637 14405 1 18 . 1 1 134 134 GLY H H 134 8.896 8.896 8.472 0.424 19637 14406 1 18 . 1 1 135 135 ALA N N 135 122.244 122.244 121.812 0.432 19637 14407 1 18 . 1 1 135 135 ALA C C 135 174.875 174.875 175.888 -1.013 19637 14408 1 18 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.077 0.064 19637 14409 1 18 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.892 -1.586 19637 14410 1 18 . 1 1 135 135 ALA H H 135 8.946 8.946 8.276 0.670 19637 14411 1 18 . 1 1 136 136 ALA N N 136 118.579 118.579 122.683 -4.104 19637 14412 1 18 . 1 1 136 136 ALA C C 136 175.434 175.434 176.482 -1.048 19637 14413 1 18 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.426 -0.932 19637 14414 1 18 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.503 1.704 19637 14415 1 18 . 1 1 136 136 ALA H H 136 8.111 8.111 8.298 -0.187 19637 14416 1 18 . 1 1 137 137 GLY N N 137 105.005 105.005 106.610 -1.605 19637 14417 1 18 . 1 1 137 137 GLY C C 137 171.300 171.300 172.307 -1.007 19637 14418 1 18 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.266 -2.084 19637 14419 1 18 . 1 1 137 137 GLY H H 137 8.933 8.933 8.172 0.761 19637 14420 1 18 . 1 1 138 138 GLN N N 138 115.695 115.695 120.035 -4.340 19637 14421 1 18 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.171 -1.908 19637 14422 1 18 . 1 1 138 138 GLN H H 138 8.559 8.559 8.273 0.286 19637 14423 1 18 . 1 1 140 140 GLY N N 140 110.307 110.307 113.800 -3.493 19637 14424 1 18 . 1 1 140 140 GLY C C 140 171.329 171.329 172.194 -0.865 19637 14425 1 18 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.051 0.566 19637 14426 1 18 . 1 1 140 140 GLY H H 140 7.936 7.936 8.819 -0.883 19637 14427 1 18 . 1 1 141 141 VAL N N 141 112.233 112.233 117.490 -5.257 19637 14428 1 18 . 1 1 141 141 VAL C C 141 171.979 171.979 173.696 -1.717 19637 14429 1 18 . 1 1 141 141 VAL CA C 141 59.914 59.914 61.219 -1.305 19637 14430 1 18 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.699 -1.762 19637 14431 1 18 . 1 1 141 141 VAL H H 141 8.646 8.646 8.158 0.488 19637 14432 1 18 . 1 1 142 142 ASP N N 142 122.520 122.520 121.722 0.798 19637 14433 1 18 . 1 1 142 142 ASP C C 142 175.259 175.259 174.079 1.180 19637 14434 1 18 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.079 -1.368 19637 14435 1 18 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.406 -0.626 19637 14436 1 18 . 1 1 142 142 ASP H H 142 7.402 7.402 8.972 -1.570 19637 14437 1 18 . 1 1 143 143 TYR N N 143 122.331 122.331 125.551 -3.220 19637 14438 1 18 . 1 1 143 143 TYR C C 143 173.870 173.870 173.866 0.004 19637 14439 1 18 . 1 1 143 143 TYR CA C 143 54.948 54.948 57.654 -2.706 19637 14440 1 18 . 1 1 143 143 TYR CB C 143 40.765 40.765 42.027 -1.262 19637 14441 1 18 . 1 1 143 143 TYR H H 143 9.396 9.396 8.131 1.265 19637 14442 1 18 . 1 1 144 144 LEU N N 144 130.341 130.341 128.695 1.646 19637 14443 1 18 . 1 1 144 144 LEU C C 144 174.786 174.786 175.910 -1.124 19637 14444 1 18 . 1 1 144 144 LEU CA C 144 55.524 55.524 53.639 1.885 19637 14445 1 18 . 1 1 144 144 LEU CB C 144 40.677 40.677 41.633 -0.956 19637 14446 1 18 . 1 1 144 144 LEU H H 144 8.313 8.313 8.534 -0.221 19637 14447 1 18 . 1 1 145 145 ILE N N 145 124.602 124.602 124.439 0.163 19637 14448 1 18 . 1 1 145 145 ILE C C 145 177.593 177.593 176.821 0.772 19637 14449 1 18 . 1 1 145 145 ILE CA C 145 60.097 60.097 63.010 -2.913 19637 14450 1 18 . 1 1 145 145 ILE CB C 145 36.864 36.864 37.605 -0.741 19637 14451 1 18 . 1 1 145 145 ILE H H 145 8.809 8.809 8.200 0.609 19637 14452 1 18 . 1 1 146 146 ASN N N 146 118.348 118.348 115.720 2.628 19637 14453 1 18 . 1 1 146 146 ASN CA C 146 51.318 51.318 51.471 -0.153 19637 14454 1 18 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.695 -3.743 19637 14455 1 18 . 1 1 146 146 ASN H H 146 8.362 8.362 8.024 0.338 19637 14456 1 18 . 1 1 147 147 ARG N N 147 113.940 113.940 118.663 -4.723 19637 14457 1 18 . 1 1 147 147 ARG C C 147 176.470 176.470 175.483 0.987 19637 14458 1 18 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.170 0.414 19637 14459 1 18 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.377 -1.672 19637 14460 1 18 . 1 1 147 147 ARG H H 147 8.072 8.072 8.554 -0.482 19637 14461 1 18 . 1 1 148 148 ASP N N 148 112.938 112.938 115.673 -2.735 19637 14462 1 18 . 1 1 148 148 ASP C C 148 174.373 174.373 174.156 0.217 19637 14463 1 18 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.709 0.618 19637 14464 1 18 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.707 0.921 19637 14465 1 18 . 1 1 148 148 ASP H H 148 7.668 7.668 8.283 -0.615 19637 14466 1 18 . 1 1 149 149 TRP N N 149 116.148 116.148 117.874 -1.726 19637 14467 1 18 . 1 1 149 149 TRP C C 149 175.574 175.574 174.596 0.978 19637 14468 1 18 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.343 0.143 19637 14469 1 18 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.963 -0.243 19637 14470 1 18 . 1 1 149 149 TRP H H 149 7.788 7.788 7.431 0.357 19637 14471 1 18 . 1 1 150 150 LEU N N 150 118.106 118.106 122.114 -4.008 19637 14472 1 18 . 1 1 150 150 LEU C C 150 175.141 175.141 176.316 -1.175 19637 14473 1 18 . 1 1 150 150 LEU CA C 150 52.155 52.155 52.874 -0.719 19637 14474 1 18 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.529 -1.128 19637 14475 1 18 . 1 1 150 150 LEU H H 150 9.306 9.306 8.569 0.737 19637 14476 1 18 . 1 1 151 151 VAL N N 151 115.211 115.211 119.916 -4.705 19637 14477 1 18 . 1 1 151 151 VAL C C 151 173.524 173.524 174.411 -0.887 19637 14478 1 18 . 1 1 151 151 VAL CA C 151 59.299 59.299 62.095 -2.796 19637 14479 1 18 . 1 1 151 151 VAL CB C 151 33.849 33.849 33.940 -0.091 19637 14480 1 18 . 1 1 151 151 VAL H H 151 9.293 9.293 8.692 0.601 19637 14481 1 18 . 1 1 152 152 ASN N N 152 124.526 124.526 125.463 -0.937 19637 14482 1 18 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.726 -1.971 19637 14483 1 18 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.126 0.502 19637 14484 1 18 . 1 1 152 152 ASN H H 152 8.893 8.893 8.890 0.003 19637 14485 1 18 . 1 1 153 153 MET N N 153 118.533 118.533 116.434 2.099 19637 14486 1 18 . 1 1 153 153 MET C C 153 173.987 173.987 173.369 0.618 19637 14487 1 18 . 1 1 153 153 MET CA C 153 54.017 54.017 54.409 -0.392 19637 14488 1 18 . 1 1 153 153 MET CB C 153 36.243 36.243 36.414 -0.172 19637 14489 1 18 . 1 1 153 153 MET H H 153 8.003 8.003 7.824 0.179 19637 14490 1 18 . 1 1 154 154 SER N N 154 113.225 113.225 113.914 -0.689 19637 14491 1 18 . 1 1 154 154 SER C C 154 172.120 172.120 172.956 -0.836 19637 14492 1 18 . 1 1 154 154 SER CA C 154 56.550 56.550 57.927 -1.377 19637 14493 1 18 . 1 1 154 154 SER CB C 154 64.619 64.619 64.450 0.169 19637 14494 1 18 . 1 1 154 154 SER H H 154 9.191 9.191 8.223 0.968 19637 14495 1 18 . 1 1 155 155 VAL N N 155 119.543 119.543 120.609 -1.066 19637 14496 1 18 . 1 1 155 155 VAL C C 155 173.973 173.973 174.857 -0.884 19637 14497 1 18 . 1 1 155 155 VAL CA C 155 59.382 59.382 59.808 -0.426 19637 14498 1 18 . 1 1 155 155 VAL H H 155 9.190 9.190 8.460 0.730 19637 14499 1 18 . 1 1 156 156 TRP N N 156 124.596 124.596 119.526 5.070 19637 14500 1 18 . 1 1 156 156 TRP C C 156 175.237 175.237 175.932 -0.695 19637 14501 1 18 . 1 1 156 156 TRP CA C 156 53.263 53.263 58.027 -4.764 19637 14502 1 18 . 1 1 156 156 TRP CB C 156 33.228 33.228 32.090 1.138 19637 14503 1 18 . 1 1 156 156 TRP H H 156 9.883 9.883 8.608 1.275 19637 14504 1 18 . 1 1 160 160 ILE N N 160 123.211 123.211 118.242 4.969 19637 14505 1 18 . 1 1 160 160 ILE C C 160 173.545 173.545 174.551 -1.006 19637 14506 1 18 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.169 0.100 19637 14507 1 18 . 1 1 160 160 ILE H H 160 7.948 7.948 8.273 -0.325 19637 14508 1 18 . 1 1 161 161 ASP N N 161 128.357 128.357 126.745 1.612 19637 14509 1 18 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.365 -1.944 19637 14510 1 18 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.061 0.769 19637 14511 1 18 . 1 1 161 161 ASP H H 161 8.302 8.302 8.475 -0.173 19637 14512 1 18 . 1 1 162 162 THR N N 162 117.472 117.472 118.094 -0.622 19637 14513 1 18 . 1 1 162 162 THR CA C 162 57.259 57.259 60.803 -3.543 19637 14514 1 18 . 1 1 162 162 THR CB C 162 68.167 68.167 70.759 -2.592 19637 14515 1 18 . 1 1 162 162 THR H H 162 8.788 8.788 8.176 0.612 19637 14516 1 18 . 1 1 163 163 THR N N 163 120.189 120.189 120.130 0.059 19637 14517 1 18 . 1 1 163 163 THR CA C 163 60.629 60.629 61.697 -1.067 19637 14518 1 18 . 1 1 163 163 THR CB C 163 68.278 68.278 69.565 -1.287 19637 14519 1 18 . 1 1 163 163 THR H H 163 8.429 8.429 8.951 -0.522 19637 14520 1 18 . 1 1 164 164 ALA N N 164 127.991 127.991 126.220 1.771 19637 14521 1 18 . 1 1 164 164 ALA C C 164 174.993 174.993 175.633 -0.640 19637 14522 1 18 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.403 -1.213 19637 14523 1 18 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.266 -3.315 19637 14524 1 18 . 1 1 164 164 ALA H H 164 9.428 9.428 8.528 0.900 19637 14525 1 18 . 1 1 165 165 ASN N N 165 122.214 122.214 123.581 -1.367 19637 14526 1 18 . 1 1 165 165 ASN C C 165 173.047 173.047 173.118 -0.071 19637 14527 1 18 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.542 -1.401 19637 14528 1 18 . 1 1 165 165 ASN CB C 165 40.056 40.056 41.295 -1.239 19637 14529 1 18 . 1 1 165 165 ASN H H 165 9.216 9.216 8.404 0.812 19637 14530 1 18 . 1 1 166 166 TYR N N 166 116.330 116.330 118.999 -2.669 19637 14531 1 18 . 1 1 166 166 TYR C C 166 172.260 172.260 174.223 -1.963 19637 14532 1 18 . 1 1 166 166 TYR CA C 166 55.397 55.397 54.780 0.617 19637 14533 1 18 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.733 -2.071 19637 14534 1 18 . 1 1 166 166 TYR H H 166 7.816 7.816 7.503 0.313 19637 14535 1 18 . 1 1 167 167 LYS N N 167 117.734 117.734 123.606 -5.872 19637 14536 1 18 . 1 1 167 167 LYS C C 167 174.760 174.760 175.102 -0.342 19637 14537 1 18 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.849 -2.098 19637 14538 1 18 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.206 1.175 19637 14539 1 18 . 1 1 167 167 LYS H H 167 9.100 9.100 8.638 0.462 19637 14540 1 18 . 1 1 168 168 LEU N N 168 121.623 121.623 129.080 -7.457 19637 14541 1 18 . 1 1 168 168 LEU C C 168 177.877 177.877 177.469 0.408 19637 14542 1 18 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.899 -2.390 19637 14543 1 18 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.592 0.302 19637 14544 1 18 . 1 1 168 168 LEU H H 168 8.372 8.372 8.765 -0.393 19637 14545 1 18 . 1 1 169 169 GLY N N 169 119.264 119.264 114.154 5.110 19637 14546 1 18 . 1 1 169 169 GLY C C 169 175.602 175.602 174.838 0.764 19637 14547 1 18 . 1 1 169 169 GLY CA C 169 46.257 46.257 44.777 1.480 19637 14548 1 18 . 1 1 169 169 GLY H H 169 9.603 9.603 8.518 1.085 19637 14549 1 18 . 1 1 170 170 GLY N N 170 104.659 104.659 107.001 -2.342 19637 14550 1 18 . 1 1 170 170 GLY C C 170 172.570 172.570 173.215 -0.645 19637 14551 1 18 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.187 -1.147 19637 14552 1 18 . 1 1 170 170 GLY H H 170 8.381 8.381 8.289 0.092 19637 14553 1 18 . 1 1 171 171 ALA N N 171 123.570 123.570 122.045 1.525 19637 14554 1 18 . 1 1 171 171 ALA C C 171 177.569 177.569 175.780 1.789 19637 14555 1 18 . 1 1 171 171 ALA CA C 171 49.893 49.893 50.938 -1.045 19637 14556 1 18 . 1 1 171 171 ALA CB C 171 18.330 18.330 21.518 -3.188 19637 14557 1 18 . 1 1 171 171 ALA H H 171 7.650 7.650 7.808 -0.158 19637 14558 1 18 . 1 1 172 172 GLN N N 172 124.057 124.057 121.050 3.007 19637 14559 1 18 . 1 1 172 172 GLN C C 172 174.869 174.869 175.328 -0.459 19637 14560 1 18 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.156 0.862 19637 14561 1 18 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.697 -0.524 19637 14562 1 18 . 1 1 172 172 GLN H H 172 8.840 8.840 8.598 0.242 19637 14563 1 18 . 1 1 173 173 GLN N N 173 124.328 124.328 124.420 -0.092 19637 14564 1 18 . 1 1 173 173 GLN C C 173 174.953 174.953 173.772 1.181 19637 14565 1 18 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.087 -2.932 19637 14566 1 18 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.425 -1.010 19637 14567 1 18 . 1 1 173 173 GLN H H 173 9.023 9.023 8.464 0.559 19637 14568 1 18 . 1 1 174 174 HIS N N 174 115.629 115.629 114.460 1.169 19637 14569 1 18 . 1 1 174 174 HIS C C 174 173.103 173.103 173.002 0.101 19637 14570 1 18 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.482 -1.036 19637 14571 1 18 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.887 -1.206 19637 14572 1 18 . 1 1 174 174 HIS H H 174 8.227 8.227 7.850 0.377 19637 14573 1 18 . 1 1 175 175 ASP N N 175 120.615 120.615 123.931 -3.316 19637 14574 1 18 . 1 1 175 175 ASP C C 175 175.013 175.013 174.714 0.299 19637 14575 1 18 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.275 -0.544 19637 14576 1 18 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.325 1.786 19637 14577 1 18 . 1 1 175 175 ASP H H 175 8.964 8.964 8.745 0.219 19637 14578 1 18 . 1 1 176 176 SER N N 176 118.175 118.175 117.644 0.531 19637 14579 1 18 . 1 1 176 176 SER C C 176 173.496 173.496 174.717 -1.221 19637 14580 1 18 . 1 1 176 176 SER CA C 176 57.697 57.697 58.159 -0.462 19637 14581 1 18 . 1 1 176 176 SER CB C 176 62.757 62.757 63.942 -1.185 19637 14582 1 18 . 1 1 176 176 SER H H 176 9.137 9.137 8.447 0.690 19637 14583 1 18 . 1 1 177 177 VAL N N 177 123.737 123.737 124.784 -1.047 19637 14584 1 18 . 1 1 177 177 VAL C C 177 173.398 173.398 174.670 -1.272 19637 14585 1 18 . 1 1 177 177 VAL CA C 177 60.277 60.277 61.640 -1.363 19637 14586 1 18 . 1 1 177 177 VAL CB C 177 32.518 32.518 34.323 -1.805 19637 14587 1 18 . 1 1 177 177 VAL H H 177 8.492 8.492 8.862 -0.370 19637 14588 1 18 . 1 1 178 178 ARG N N 178 127.628 127.628 125.105 2.523 19637 14589 1 18 . 1 1 178 178 ARG C C 178 175.097 175.097 175.101 -0.004 19637 14590 1 18 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.144 -1.127 19637 14591 1 18 . 1 1 178 178 ARG CB C 178 29.149 29.149 30.626 -1.477 19637 14592 1 18 . 1 1 178 178 ARG H H 178 8.513 8.513 8.350 0.163 19637 14593 1 18 . 1 1 182 182 TRP N N 182 115.616 115.616 119.277 -3.661 19637 14594 1 18 . 1 1 182 182 TRP C C 182 176.613 176.613 174.467 2.146 19637 14595 1 18 . 1 1 182 182 TRP CA C 182 55.228 55.228 57.122 -1.894 19637 14596 1 18 . 1 1 182 182 TRP CB C 182 31.809 31.809 31.230 0.579 19637 14597 1 18 . 1 1 182 182 TRP H H 182 7.491 7.491 8.414 -0.923 19637 14598 1 18 . 1 1 183 183 VAL N N 183 121.618 121.618 124.324 -2.706 19637 14599 1 18 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.400 -1.772 19637 14600 1 18 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.593 -2.897 19637 14601 1 18 . 1 1 183 183 VAL H H 183 9.372 9.372 8.799 0.573 19637 14602 1 18 . 1 1 185 185 MET N N 185 129.032 129.032 121.507 7.525 19637 14603 1 18 . 1 1 185 185 MET C C 185 172.186 172.186 173.751 -1.565 19637 14604 1 18 . 1 1 185 185 MET CA C 185 53.091 53.091 54.684 -1.593 19637 14605 1 18 . 1 1 185 185 MET CB C 185 33.405 33.405 36.688 -3.283 19637 14606 1 18 . 1 1 185 185 MET H H 185 9.615 9.615 8.610 1.005 19637 14607 1 18 . 1 1 186 186 PHE N N 186 124.085 124.085 121.208 2.877 19637 14608 1 18 . 1 1 186 186 PHE C C 186 174.816 174.816 175.168 -0.352 19637 14609 1 18 . 1 1 186 186 PHE CA C 186 55.131 55.131 57.059 -1.928 19637 14610 1 18 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.532 -0.944 19637 14611 1 18 . 1 1 186 186 PHE H H 186 7.976 7.976 8.734 -0.758 19637 14612 1 18 . 1 1 187 187 SER N N 187 116.369 116.369 116.100 0.269 19637 14613 1 18 . 1 1 187 187 SER C C 187 171.305 171.305 172.282 -0.977 19637 14614 1 18 . 1 1 187 187 SER CA C 187 57.348 57.348 57.438 -0.090 19637 14615 1 18 . 1 1 187 187 SER CB C 187 66.127 66.127 65.664 0.463 19637 14616 1 18 . 1 1 187 187 SER H H 187 9.355 9.355 9.023 0.332 19637 14617 1 18 . 1 1 188 188 ALA N N 188 119.248 119.248 127.757 -8.509 19637 14618 1 18 . 1 1 188 188 ALA C C 188 175.996 175.996 175.771 0.225 19637 14619 1 18 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.584 -1.499 19637 14620 1 18 . 1 1 188 188 ALA CB C 188 21.079 21.079 21.352 -0.272 19637 14621 1 18 . 1 1 188 188 ALA H H 188 8.300 8.300 8.353 -0.053 19637 14622 1 18 . 1 1 189 189 GLY N N 189 104.914 104.914 111.245 -6.331 19637 14623 1 18 . 1 1 189 189 GLY C C 189 170.650 170.650 173.065 -2.415 19637 14624 1 18 . 1 1 189 189 GLY CA C 189 44.046 44.046 44.412 -0.366 19637 14625 1 18 . 1 1 189 189 GLY H H 189 9.235 9.235 7.953 1.282 19637 14626 1 18 . 1 1 190 190 TYR N N 190 121.149 121.149 124.875 -3.726 19637 14627 1 18 . 1 1 190 190 TYR C C 190 173.608 173.608 174.964 -1.356 19637 14628 1 18 . 1 1 190 190 TYR CA C 190 55.131 55.131 55.363 -0.232 19637 14629 1 18 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.644 0.718 19637 14630 1 18 . 1 1 190 190 TYR H H 190 8.865 8.865 8.445 0.420 19637 14631 1 18 . 1 1 191 191 ARG N N 191 125.697 125.697 126.234 -0.537 19637 14632 1 18 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.248 -2.719 19637 14633 1 18 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.146 -0.199 19637 14634 1 18 . 1 1 191 191 ARG H H 191 7.469 7.469 7.505 -0.036 19637 14635 1 19 . 1 1 2 2 HIS N N 2 119.214 119.214 122.709 -3.495 19637 14636 1 19 . 1 1 2 2 HIS C C 2 171.081 171.081 174.469 -3.388 19637 14637 1 19 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.151 -3.863 19637 14638 1 19 . 1 1 2 2 HIS CB C 2 23.296 23.296 28.049 -4.753 19637 14639 1 19 . 1 1 2 2 HIS H H 2 8.422 8.422 8.617 -0.195 19637 14640 1 19 . 1 1 3 3 GLU N N 3 113.500 113.500 121.614 -8.114 19637 14641 1 19 . 1 1 3 3 GLU C C 3 174.619 174.619 174.834 -0.215 19637 14642 1 19 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.671 -2.009 19637 14643 1 19 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.620 -2.205 19637 14644 1 19 . 1 1 3 3 GLU H H 3 6.642 6.642 8.073 -1.431 19637 14645 1 19 . 1 1 4 4 ALA N N 4 120.680 120.680 123.337 -2.657 19637 14646 1 19 . 1 1 4 4 ALA C C 4 178.439 178.439 177.504 0.935 19637 14647 1 19 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.757 -0.381 19637 14648 1 19 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.590 -0.147 19637 14649 1 19 . 1 1 4 4 ALA H H 4 8.701 8.701 8.443 0.258 19637 14650 1 19 . 1 1 5 5 GLY N N 5 112.786 112.786 109.202 3.584 19637 14651 1 19 . 1 1 5 5 GLY C C 5 173.309 173.309 174.318 -1.009 19637 14652 1 19 . 1 1 5 5 GLY CA C 5 43.553 43.553 45.044 -1.491 19637 14653 1 19 . 1 1 5 5 GLY H H 5 9.294 9.294 8.016 1.278 19637 14654 1 19 . 1 1 6 6 GLU N N 6 121.755 121.755 119.281 2.474 19637 14655 1 19 . 1 1 6 6 GLU C C 6 173.693 173.693 175.185 -1.492 19637 14656 1 19 . 1 1 6 6 GLU CA C 6 56.018 56.018 56.073 -0.055 19637 14657 1 19 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.471 0.717 19637 14658 1 19 . 1 1 6 6 GLU H H 6 7.955 7.955 8.065 -0.110 19637 14659 1 19 . 1 1 7 7 PHE N N 7 124.802 124.802 121.733 3.069 19637 14660 1 19 . 1 1 7 7 PHE C C 7 174.039 174.039 173.716 0.323 19637 14661 1 19 . 1 1 7 7 PHE CA C 7 54.333 54.333 55.940 -1.607 19637 14662 1 19 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.748 -0.007 19637 14663 1 19 . 1 1 7 7 PHE H H 7 8.648 8.648 8.166 0.482 19637 14664 1 19 . 1 1 8 8 PHE N N 8 121.132 121.132 124.191 -3.059 19637 14665 1 19 . 1 1 8 8 PHE C C 8 171.861 171.861 174.398 -2.537 19637 14666 1 19 . 1 1 8 8 PHE CA C 8 54.549 54.549 55.832 -1.283 19637 14667 1 19 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.585 -2.908 19637 14668 1 19 . 1 1 8 8 PHE H H 8 8.574 8.574 9.206 -0.632 19637 14669 1 19 . 1 1 9 9 MET N N 9 120.391 120.391 119.105 1.286 19637 14670 1 19 . 1 1 9 9 MET C C 9 174.166 174.166 174.583 -0.417 19637 14671 1 19 . 1 1 9 9 MET CA C 9 52.199 52.199 55.461 -3.262 19637 14672 1 19 . 1 1 9 9 MET CB C 9 37.307 37.307 36.935 0.372 19637 14673 1 19 . 1 1 9 9 MET H H 9 8.541 8.541 9.138 -0.597 19637 14674 1 19 . 1 1 10 10 ARG N N 10 117.892 117.892 124.019 -6.127 19637 14675 1 19 . 1 1 10 10 ARG C C 10 175.289 175.289 173.451 1.838 19637 14676 1 19 . 1 1 10 10 ARG CA C 10 53.446 53.446 55.435 -1.990 19637 14677 1 19 . 1 1 10 10 ARG CB C 10 31.366 31.366 35.170 -3.804 19637 14678 1 19 . 1 1 10 10 ARG H H 10 8.357 8.357 8.844 -0.487 19637 14679 1 19 . 1 1 11 11 ALA N N 11 119.664 119.664 121.517 -1.853 19637 14680 1 19 . 1 1 11 11 ALA C C 11 176.057 176.057 177.321 -1.264 19637 14681 1 19 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.273 -1.641 19637 14682 1 19 . 1 1 11 11 ALA CB C 11 21.518 21.518 19.780 1.738 19637 14683 1 19 . 1 1 11 11 ALA H H 11 9.154 9.154 8.190 0.964 19637 14684 1 19 . 1 1 12 12 GLY N N 12 106.262 106.262 110.238 -3.976 19637 14685 1 19 . 1 1 12 12 GLY C C 12 172.068 172.068 173.582 -1.514 19637 14686 1 19 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.410 0.739 19637 14687 1 19 . 1 1 12 12 GLY H H 12 8.655 8.655 8.196 0.459 19637 14688 1 19 . 1 1 13 13 SER N N 13 116.893 116.893 123.014 -6.121 19637 14689 1 19 . 1 1 13 13 SER C C 13 173.604 173.604 172.397 1.207 19637 14690 1 19 . 1 1 13 13 SER CA C 13 56.367 56.367 57.958 -1.591 19637 14691 1 19 . 1 1 13 13 SER CB C 13 64.087 64.087 64.147 -0.061 19637 14692 1 19 . 1 1 13 13 SER H H 13 8.644 8.644 7.637 1.007 19637 14693 1 19 . 1 1 14 14 ALA N N 14 125.234 125.234 128.345 -3.111 19637 14694 1 19 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.165 -0.538 19637 14695 1 19 . 1 1 14 14 ALA CB C 14 18.330 18.330 22.203 -3.873 19637 14696 1 19 . 1 1 14 14 ALA H H 14 9.120 9.120 8.098 1.022 19637 14697 1 19 . 1 1 15 15 THR N N 15 121.303 121.303 121.293 0.010 19637 14698 1 19 . 1 1 15 15 THR C C 15 175.230 175.230 173.817 1.413 19637 14699 1 19 . 1 1 15 15 THR CA C 15 60.895 60.895 62.650 -1.755 19637 14700 1 19 . 1 1 15 15 THR CB C 15 70.029 70.029 69.167 0.862 19637 14701 1 19 . 1 1 15 15 THR H H 15 9.351 9.351 8.776 0.575 19637 14702 1 19 . 1 1 16 16 VAL N N 16 126.781 126.781 127.413 -0.632 19637 14703 1 19 . 1 1 16 16 VAL C C 16 174.432 174.432 174.802 -0.370 19637 14704 1 19 . 1 1 16 16 VAL CA C 16 60.806 60.806 62.035 -1.229 19637 14705 1 19 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.760 -1.837 19637 14706 1 19 . 1 1 16 16 VAL H H 16 9.110 9.110 8.533 0.577 19637 14707 1 19 . 1 1 17 17 ARG N N 17 129.806 129.806 129.484 0.322 19637 14708 1 19 . 1 1 17 17 ARG C C 17 173.440 173.440 174.908 -1.468 19637 14709 1 19 . 1 1 17 17 ARG CA C 17 51.407 51.407 52.854 -1.447 19637 14710 1 19 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.806 -0.504 19637 14711 1 19 . 1 1 17 17 ARG H H 17 9.325 9.325 8.635 0.690 19637 14712 1 19 . 1 1 19 19 THR N N 19 114.402 114.402 112.308 2.094 19637 14713 1 19 . 1 1 19 19 THR CA C 19 61.022 61.022 62.752 -1.730 19637 14714 1 19 . 1 1 19 19 THR CB C 19 69.142 69.142 68.389 0.753 19637 14715 1 19 . 1 1 19 19 THR H H 19 8.021 8.021 7.760 0.261 19637 14716 1 19 . 1 1 20 20 GLU N N 20 123.598 123.598 125.629 -2.031 19637 14717 1 19 . 1 1 20 20 GLU C C 20 177.007 177.007 177.448 -0.441 19637 14718 1 19 . 1 1 20 20 GLU CA C 20 55.480 55.480 54.906 0.574 19637 14719 1 19 . 1 1 20 20 GLU CB C 20 28.794 28.794 31.102 -2.308 19637 14720 1 19 . 1 1 20 20 GLU H H 20 8.601 8.601 8.433 0.168 19637 14721 1 19 . 1 1 21 21 GLY N N 21 110.237 110.237 107.391 2.846 19637 14722 1 19 . 1 1 21 21 GLY C C 21 174.077 174.077 173.829 0.248 19637 14723 1 19 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.009 -0.348 19637 14724 1 19 . 1 1 21 21 GLY H H 21 8.530 8.530 8.367 0.163 19637 14725 1 19 . 1 1 22 22 ALA N N 22 123.476 123.476 121.997 1.479 19637 14726 1 19 . 1 1 22 22 ALA C C 22 178.158 178.158 177.965 0.193 19637 14727 1 19 . 1 1 22 22 ALA CA C 22 51.755 51.755 51.952 -0.197 19637 14728 1 19 . 1 1 22 22 ALA CB C 22 17.778 17.778 18.236 -0.458 19637 14729 1 19 . 1 1 22 22 ALA H H 22 8.279 8.279 8.100 0.179 19637 14730 1 19 . 1 1 23 23 GLY N N 23 107.265 107.265 111.422 -4.157 19637 14731 1 19 . 1 1 23 23 GLY C C 23 174.727 174.727 175.497 -0.770 19637 14732 1 19 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.116 -0.676 19637 14733 1 19 . 1 1 23 23 GLY H H 23 8.452 8.452 8.618 -0.166 19637 14734 1 19 . 1 1 24 24 GLY N N 24 108.306 108.306 107.731 0.575 19637 14735 1 19 . 1 1 24 24 GLY C C 24 174.786 174.786 174.812 -0.026 19637 14736 1 19 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.870 -0.430 19637 14737 1 19 . 1 1 24 24 GLY H H 24 8.221 8.221 7.728 0.493 19637 14738 1 19 . 1 1 25 25 THR N N 25 114.381 114.381 115.495 -1.114 19637 14739 1 19 . 1 1 25 25 THR C C 25 175.170 175.170 174.752 0.418 19637 14740 1 19 . 1 1 25 25 THR CA C 25 61.599 61.599 63.215 -1.617 19637 14741 1 19 . 1 1 25 25 THR CB C 25 68.521 68.521 69.084 -0.563 19637 14742 1 19 . 1 1 25 25 THR H H 25 8.213 8.213 8.250 -0.037 19637 14743 1 19 . 1 1 26 26 LEU N N 26 123.038 123.038 120.233 2.805 19637 14744 1 19 . 1 1 26 26 LEU C C 26 177.918 177.918 177.164 0.754 19637 14745 1 19 . 1 1 26 26 LEU CA C 26 54.682 54.682 54.666 0.016 19637 14746 1 19 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.428 -1.284 19637 14747 1 19 . 1 1 26 26 LEU H H 26 8.425 8.425 7.986 0.439 19637 14748 1 19 . 1 1 27 27 GLY N N 27 108.786 108.786 113.221 -4.435 19637 14749 1 19 . 1 1 27 27 GLY C C 27 175.023 175.023 174.504 0.519 19637 14750 1 19 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.543 -0.704 19637 14751 1 19 . 1 1 27 27 GLY H H 27 8.260 8.260 8.483 -0.223 19637 14752 1 19 . 1 1 28 28 SER N N 28 116.175 116.175 113.222 2.953 19637 14753 1 19 . 1 1 28 28 SER CA C 28 58.140 58.140 57.995 0.145 19637 14754 1 19 . 1 1 28 28 SER CB C 28 62.846 62.846 63.927 -1.081 19637 14755 1 19 . 1 1 28 28 SER H H 28 8.330 8.330 8.101 0.229 19637 14756 1 19 . 1 1 29 29 LEU N N 29 122.260 122.260 123.359 -1.099 19637 14757 1 19 . 1 1 29 29 LEU C C 29 177.512 177.512 177.441 0.071 19637 14758 1 19 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.870 -1.454 19637 14759 1 19 . 1 1 29 29 LEU CB C 29 40.322 40.322 41.938 -1.616 19637 14760 1 19 . 1 1 29 29 LEU H H 29 8.157 8.157 7.785 0.372 19637 14761 1 19 . 1 1 30 30 GLY N N 30 107.575 107.575 109.937 -2.362 19637 14762 1 19 . 1 1 30 30 GLY C C 30 174.225 174.225 174.154 0.071 19637 14763 1 19 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.373 0.155 19637 14764 1 19 . 1 1 30 30 GLY H H 30 8.144 8.144 8.477 -0.333 19637 14765 1 19 . 1 1 31 31 GLY N N 31 107.996 107.996 109.303 -1.307 19637 14766 1 19 . 1 1 31 31 GLY C C 31 173.664 173.664 173.291 0.373 19637 14767 1 19 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.892 -0.674 19637 14768 1 19 . 1 1 31 31 GLY H H 31 8.044 8.044 8.141 -0.097 19637 14769 1 19 . 1 1 32 32 PHE N N 32 119.248 119.248 123.256 -4.008 19637 14770 1 19 . 1 1 32 32 PHE C C 32 175.495 175.495 174.732 0.763 19637 14771 1 19 . 1 1 32 32 PHE CA C 32 56.373 56.373 55.267 1.106 19637 14772 1 19 . 1 1 32 32 PHE CB C 32 39.258 39.258 40.551 -1.293 19637 14773 1 19 . 1 1 32 32 PHE H H 32 8.181 8.181 7.541 0.640 19637 14774 1 19 . 1 1 33 33 SER N N 33 117.720 117.720 118.461 -0.741 19637 14775 1 19 . 1 1 33 33 SER C C 33 173.368 173.368 172.652 0.716 19637 14776 1 19 . 1 1 33 33 SER CA C 33 55.746 55.746 58.202 -2.456 19637 14777 1 19 . 1 1 33 33 SER CB C 33 64.265 64.265 64.589 -0.324 19637 14778 1 19 . 1 1 33 33 SER H H 33 8.771 8.771 8.804 -0.033 19637 14779 1 19 . 1 1 34 34 VAL N N 34 123.007 123.007 118.397 4.610 19637 14780 1 19 . 1 1 34 34 VAL CA C 34 59.426 59.426 59.733 -0.307 19637 14781 1 19 . 1 1 34 34 VAL CB C 34 32.785 32.785 34.611 -1.826 19637 14782 1 19 . 1 1 34 34 VAL H H 34 8.525 8.525 8.267 0.258 19637 14783 1 19 . 1 1 35 35 THR N N 35 115.459 115.459 113.195 2.264 19637 14784 1 19 . 1 1 35 35 THR CA C 35 61.200 61.200 62.625 -1.425 19637 14785 1 19 . 1 1 35 35 THR CB C 35 69.851 69.851 69.341 0.510 19637 14786 1 19 . 1 1 35 35 THR H H 35 8.147 8.147 8.298 -0.151 19637 14787 1 19 . 1 1 36 36 ASN N N 36 118.274 118.274 118.908 -0.634 19637 14788 1 19 . 1 1 36 36 ASN CA C 36 51.407 51.407 53.360 -1.953 19637 14789 1 19 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.966 -1.861 19637 14790 1 19 . 1 1 36 36 ASN H H 36 8.719 8.719 8.424 0.295 19637 14791 1 19 . 1 1 37 37 ASN N N 37 115.657 115.657 118.790 -3.133 19637 14792 1 19 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.006 1.859 19637 14793 1 19 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.488 3.824 19637 14794 1 19 . 1 1 37 37 ASN H H 37 8.432 8.432 8.413 0.019 19637 14795 1 19 . 1 1 38 38 THR N N 38 122.444 122.444 117.000 5.444 19637 14796 1 19 . 1 1 38 38 THR CA C 38 61.288 61.288 62.691 -1.403 19637 14797 1 19 . 1 1 38 38 THR CB C 38 69.142 69.142 67.671 1.471 19637 14798 1 19 . 1 1 38 38 THR H H 38 8.095 8.095 8.479 -0.384 19637 14799 1 19 . 1 1 40 40 LEU N N 40 120.457 120.457 112.229 8.228 19637 14800 1 19 . 1 1 40 40 LEU CA C 40 54.327 54.327 53.965 0.362 19637 14801 1 19 . 1 1 40 40 LEU CB C 40 41.218 41.218 44.742 -3.524 19637 14802 1 19 . 1 1 40 40 LEU H H 40 6.902 6.902 8.018 -1.116 19637 14803 1 19 . 1 1 41 41 GLY N N 41 111.223 111.223 106.092 5.131 19637 14804 1 19 . 1 1 41 41 GLY C C 41 171.034 171.034 172.559 -1.525 19637 14805 1 19 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.995 -2.152 19637 14806 1 19 . 1 1 41 41 GLY H H 41 8.978 8.978 8.194 0.783 19637 14807 1 19 . 1 1 42 42 LEU N N 42 122.123 122.123 120.085 2.038 19637 14808 1 19 . 1 1 42 42 LEU C C 42 175.350 175.350 175.539 -0.189 19637 14809 1 19 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.952 -1.797 19637 14810 1 19 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.533 -0.156 19637 14811 1 19 . 1 1 42 42 LEU H H 42 8.679 8.679 8.430 0.249 19637 14812 1 19 . 1 1 43 43 THR N N 43 109.917 109.917 111.767 -1.850 19637 14813 1 19 . 1 1 43 43 THR C C 43 173.516 173.516 173.389 0.127 19637 14814 1 19 . 1 1 43 43 THR CA C 43 58.057 58.057 60.540 -2.483 19637 14815 1 19 . 1 1 43 43 THR CB C 43 70.029 70.029 71.322 -1.293 19637 14816 1 19 . 1 1 43 43 THR H H 43 8.792 8.792 8.499 0.293 19637 14817 1 19 . 1 1 44 44 PHE N N 44 118.699 118.699 123.997 -5.298 19637 14818 1 19 . 1 1 44 44 PHE C C 44 173.917 173.917 175.236 -1.319 19637 14819 1 19 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.300 -0.820 19637 14820 1 19 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.929 -2.164 19637 14821 1 19 . 1 1 44 44 PHE H H 44 8.566 8.566 9.147 -0.581 19637 14822 1 19 . 1 1 45 45 THR N N 45 118.229 118.229 113.773 4.456 19637 14823 1 19 . 1 1 45 45 THR C C 45 170.886 170.886 172.657 -1.771 19637 14824 1 19 . 1 1 45 45 THR CA C 45 60.097 60.097 60.416 -0.319 19637 14825 1 19 . 1 1 45 45 THR CB C 45 68.433 68.433 72.055 -3.622 19637 14826 1 19 . 1 1 45 45 THR H H 45 7.903 7.903 9.517 -1.614 19637 14827 1 19 . 1 1 46 46 TYR N N 46 124.450 124.450 126.813 -2.363 19637 14828 1 19 . 1 1 46 46 TYR C C 46 174.254 174.254 172.808 1.446 19637 14829 1 19 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.026 -1.877 19637 14830 1 19 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.529 0.744 19637 14831 1 19 . 1 1 46 46 TYR H H 46 8.941 8.941 8.857 0.084 19637 14832 1 19 . 1 1 47 47 MET N N 47 123.598 123.598 123.616 -0.018 19637 14833 1 19 . 1 1 47 47 MET C C 47 175.082 175.082 174.505 0.577 19637 14834 1 19 . 1 1 47 47 MET CA C 47 50.425 50.425 53.555 -3.130 19637 14835 1 19 . 1 1 47 47 MET CB C 47 26.222 26.222 35.472 -9.250 19637 14836 1 19 . 1 1 47 47 MET H H 47 7.798 7.798 8.229 -0.431 19637 14837 1 19 . 1 1 48 48 ALA N N 48 129.975 129.975 124.309 5.666 19637 14838 1 19 . 1 1 48 48 ALA C C 48 178.568 178.568 176.902 1.666 19637 14839 1 19 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.078 0.227 19637 14840 1 19 . 1 1 48 48 ALA CB C 48 17.712 17.712 20.009 -2.297 19637 14841 1 19 . 1 1 48 48 ALA H H 48 8.717 8.717 8.523 0.194 19637 14842 1 19 . 1 1 49 49 THR N N 49 106.011 106.011 111.254 -5.243 19637 14843 1 19 . 1 1 49 49 THR C C 49 171.950 171.950 172.755 -0.805 19637 14844 1 19 . 1 1 49 49 THR CA C 49 57.786 57.786 62.693 -4.907 19637 14845 1 19 . 1 1 49 49 THR CB C 49 70.535 70.535 68.546 1.989 19637 14846 1 19 . 1 1 49 49 THR H H 49 8.072 8.072 8.089 -0.017 19637 14847 1 19 . 1 1 50 50 ASP N N 50 114.062 114.062 122.756 -8.694 19637 14848 1 19 . 1 1 50 50 ASP C C 50 175.318 175.318 175.759 -0.441 19637 14849 1 19 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.175 0.601 19637 14850 1 19 . 1 1 50 50 ASP CB C 50 39.790 39.790 41.326 -1.536 19637 14851 1 19 . 1 1 50 50 ASP H H 50 8.390 8.390 8.399 -0.009 19637 14852 1 19 . 1 1 51 51 ASN N N 51 111.850 111.850 116.090 -4.240 19637 14853 1 19 . 1 1 51 51 ASN C C 51 171.684 171.684 173.485 -1.801 19637 14854 1 19 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.446 -0.030 19637 14855 1 19 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.128 2.105 19637 14856 1 19 . 1 1 51 51 ASN H H 51 7.887 7.887 8.576 -0.689 19637 14857 1 19 . 1 1 52 52 ILE N N 52 118.929 118.929 117.186 1.743 19637 14858 1 19 . 1 1 52 52 ILE C C 52 175.495 175.495 173.548 1.947 19637 14859 1 19 . 1 1 52 52 ILE CA C 52 59.648 59.648 59.694 -0.046 19637 14860 1 19 . 1 1 52 52 ILE CB C 52 37.484 37.484 41.107 -3.623 19637 14861 1 19 . 1 1 52 52 ILE H H 52 7.707 7.707 7.597 0.110 19637 14862 1 19 . 1 1 53 53 GLY N N 53 114.998 114.998 115.275 -0.277 19637 14863 1 19 . 1 1 53 53 GLY C C 53 171.536 171.536 171.944 -0.408 19637 14864 1 19 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.793 -1.861 19637 14865 1 19 . 1 1 53 53 GLY H H 53 8.678 8.678 9.008 -0.330 19637 14866 1 19 . 1 1 54 54 VAL N N 54 118.327 118.327 119.531 -1.204 19637 14867 1 19 . 1 1 54 54 VAL C C 54 173.309 173.309 174.460 -1.151 19637 14868 1 19 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.449 -0.801 19637 14869 1 19 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.313 -1.440 19637 14870 1 19 . 1 1 54 54 VAL H H 54 8.734 8.734 8.471 0.263 19637 14871 1 19 . 1 1 55 55 GLU N N 55 126.907 126.907 125.275 1.632 19637 14872 1 19 . 1 1 55 55 GLU C C 55 173.575 173.575 174.433 -0.858 19637 14873 1 19 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.385 -1.116 19637 14874 1 19 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.691 1.036 19637 14875 1 19 . 1 1 55 55 GLU H H 55 9.084 9.084 9.277 -0.193 19637 14876 1 19 . 1 1 56 56 LEU N N 56 126.739 126.739 123.026 3.713 19637 14877 1 19 . 1 1 56 56 LEU C C 56 174.786 174.786 175.372 -0.586 19637 14878 1 19 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.687 -1.754 19637 14879 1 19 . 1 1 56 56 LEU CB C 56 45.022 45.022 46.007 -0.985 19637 14880 1 19 . 1 1 56 56 LEU H H 56 9.168 9.168 9.179 -0.011 19637 14881 1 19 . 1 1 57 57 LEU N N 57 127.189 127.189 125.092 2.097 19637 14882 1 19 . 1 1 57 57 LEU C C 57 174.579 174.579 175.167 -0.588 19637 14883 1 19 . 1 1 57 57 LEU CA C 57 53.091 53.091 54.018 -0.927 19637 14884 1 19 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.913 -1.753 19637 14885 1 19 . 1 1 57 57 LEU H H 57 9.174 9.174 8.552 0.622 19637 14886 1 19 . 1 1 58 58 ALA N N 58 125.061 125.061 126.427 -1.366 19637 14887 1 19 . 1 1 58 58 ALA C C 58 172.925 172.925 175.474 -2.549 19637 14888 1 19 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.105 -1.181 19637 14889 1 19 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.513 -1.434 19637 14890 1 19 . 1 1 58 58 ALA H H 58 9.435 9.435 9.171 0.264 19637 14891 1 19 . 1 1 59 59 ALA N N 59 116.911 116.911 126.195 -9.284 19637 14892 1 19 . 1 1 59 59 ALA C C 59 176.248 176.248 177.069 -0.821 19637 14893 1 19 . 1 1 59 59 ALA CA C 59 50.071 50.071 50.678 -0.607 19637 14894 1 19 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.347 -1.688 19637 14895 1 19 . 1 1 59 59 ALA H H 59 6.833 6.833 7.821 -0.988 19637 14896 1 19 . 1 1 60 60 THR N N 60 105.771 105.771 114.342 -8.571 19637 14897 1 19 . 1 1 60 60 THR C C 60 170.975 170.975 173.636 -2.661 19637 14898 1 19 . 1 1 60 60 THR CA C 60 59.515 59.515 61.090 -1.575 19637 14899 1 19 . 1 1 60 60 THR CB C 60 63.487 63.487 68.582 -5.095 19637 14900 1 19 . 1 1 60 60 THR H H 60 7.718 7.718 8.261 -0.543 19637 14901 1 19 . 1 1 62 62 PHE N N 62 122.473 122.473 115.395 7.078 19637 14902 1 19 . 1 1 62 62 PHE C C 62 174.934 174.934 174.868 0.066 19637 14903 1 19 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.794 -1.073 19637 14904 1 19 . 1 1 62 62 PHE CB C 62 39.613 39.613 38.532 1.081 19637 14905 1 19 . 1 1 62 62 PHE H H 62 8.251 8.251 8.085 0.166 19637 14906 1 19 . 1 1 63 63 ARG N N 63 118.016 118.016 127.652 -9.636 19637 14907 1 19 . 1 1 63 63 ARG C C 63 174.423 174.423 174.106 0.317 19637 14908 1 19 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.684 -3.036 19637 14909 1 19 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.115 -1.217 19637 14910 1 19 . 1 1 63 63 ARG H H 63 7.378 7.378 8.145 -0.767 19637 14911 1 19 . 1 1 64 64 HIS N N 64 120.040 120.040 120.394 -0.354 19637 14912 1 19 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.931 -2.978 19637 14913 1 19 . 1 1 64 64 HIS H H 64 8.588 8.588 8.273 0.315 19637 14914 1 19 . 1 1 66 66 ILE N N 66 122.668 122.668 123.755 -1.087 19637 14915 1 19 . 1 1 66 66 ILE C C 66 175.141 175.141 174.631 0.510 19637 14916 1 19 . 1 1 66 66 ILE CA C 66 57.963 57.963 59.371 -1.408 19637 14917 1 19 . 1 1 66 66 ILE CB C 66 38.637 38.637 38.165 0.472 19637 14918 1 19 . 1 1 66 66 ILE H H 66 8.726 8.726 8.273 0.453 19637 14919 1 19 . 1 1 67 67 GLY N N 67 114.948 114.948 113.720 1.228 19637 14920 1 19 . 1 1 67 67 GLY C C 67 172.570 172.570 174.222 -1.652 19637 14921 1 19 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.495 -0.366 19637 14922 1 19 . 1 1 67 67 GLY H H 67 8.780 8.780 8.703 0.077 19637 14923 1 19 . 1 1 68 68 THR N N 68 106.079 106.079 115.103 -9.024 19637 14924 1 19 . 1 1 68 68 THR C C 68 175.574 175.574 175.756 -0.182 19637 14925 1 19 . 1 1 68 68 THR CA C 68 58.672 58.672 60.192 -1.520 19637 14926 1 19 . 1 1 68 68 THR CB C 68 71.270 71.270 70.497 0.773 19637 14927 1 19 . 1 1 68 68 THR H H 68 7.431 7.431 7.446 -0.015 19637 14928 1 19 . 1 1 69 69 ARG N N 69 122.303 122.303 122.642 -0.339 19637 14929 1 19 . 1 1 69 69 ARG C C 69 178.298 178.298 178.309 -0.011 19637 14930 1 19 . 1 1 69 69 ARG CA C 69 58.229 58.229 58.956 -0.727 19637 14931 1 19 . 1 1 69 69 ARG CB C 69 28.173 28.173 28.625 -0.452 19637 14932 1 19 . 1 1 69 69 ARG H H 69 8.783 8.783 8.847 -0.064 19637 14933 1 19 . 1 1 70 70 ALA N N 70 117.681 117.681 121.224 -3.543 19637 14934 1 19 . 1 1 70 70 ALA C C 70 179.281 179.281 177.818 1.463 19637 14935 1 19 . 1 1 70 70 ALA CA C 70 53.269 53.269 53.553 -0.284 19637 14936 1 19 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.492 -0.517 19637 14937 1 19 . 1 1 70 70 ALA H H 70 8.262 8.262 8.195 0.067 19637 14938 1 19 . 1 1 71 71 THR N N 71 105.486 105.486 107.554 -2.068 19637 14939 1 19 . 1 1 71 71 THR C C 71 176.136 176.136 175.336 0.800 19637 14940 1 19 . 1 1 71 71 THR CA C 71 60.895 60.895 61.703 -0.808 19637 14941 1 19 . 1 1 71 71 THR CB C 71 70.383 70.383 69.228 1.155 19637 14942 1 19 . 1 1 71 71 THR H H 71 7.473 7.473 7.787 -0.314 19637 14943 1 19 . 1 1 72 72 GLY N N 72 111.099 111.099 109.634 1.465 19637 14944 1 19 . 1 1 72 72 GLY C C 72 175.052 175.052 173.793 1.259 19637 14945 1 19 . 1 1 72 72 GLY CA C 72 44.046 44.046 44.538 -0.492 19637 14946 1 19 . 1 1 72 72 GLY H H 72 8.194 8.194 7.425 0.769 19637 14947 1 19 . 1 1 73 73 ASP N N 73 121.919 121.919 122.956 -1.037 19637 14948 1 19 . 1 1 73 73 ASP C C 73 177.889 177.889 176.616 1.273 19637 14949 1 19 . 1 1 73 73 ASP CA C 73 55.042 55.042 53.622 1.420 19637 14950 1 19 . 1 1 73 73 ASP CB C 73 39.524 39.524 42.414 -2.890 19637 14951 1 19 . 1 1 73 73 ASP H H 73 8.668 8.668 7.775 0.893 19637 14952 1 19 . 1 1 74 74 ILE N N 74 117.113 117.113 119.813 -2.700 19637 14953 1 19 . 1 1 74 74 ILE C C 74 175.013 175.013 174.086 0.927 19637 14954 1 19 . 1 1 74 74 ILE CA C 74 59.914 59.914 62.127 -2.213 19637 14955 1 19 . 1 1 74 74 ILE CB C 74 41.297 41.297 36.045 5.252 19637 14956 1 19 . 1 1 74 74 ILE H H 74 9.327 9.327 7.401 1.926 19637 14957 1 19 . 1 1 75 75 ALA N N 75 121.329 121.329 128.403 -7.074 19637 14958 1 19 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.849 -0.424 19637 14959 1 19 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.345 0.178 19637 14960 1 19 . 1 1 75 75 ALA H H 75 8.086 8.086 8.039 0.047 19637 14961 1 19 . 1 1 76 76 THR N N 76 116.168 116.168 114.842 1.326 19637 14962 1 19 . 1 1 76 76 THR C C 76 173.043 173.043 174.028 -0.985 19637 14963 1 19 . 1 1 76 76 THR CA C 76 60.540 60.540 61.963 -1.423 19637 14964 1 19 . 1 1 76 76 THR CB C 76 69.674 69.674 69.628 0.046 19637 14965 1 19 . 1 1 76 76 THR H H 76 8.539 8.539 8.259 0.280 19637 14966 1 19 . 1 1 77 77 VAL N N 77 117.996 117.996 115.287 2.709 19637 14967 1 19 . 1 1 77 77 VAL C C 77 174.964 174.964 173.941 1.023 19637 14968 1 19 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.677 -3.329 19637 14969 1 19 . 1 1 77 77 VAL CB C 77 34.026 34.026 35.398 -1.372 19637 14970 1 19 . 1 1 77 77 VAL H H 77 8.578 8.578 8.157 0.421 19637 14971 1 19 . 1 1 78 78 HIS N N 78 116.541 116.541 124.183 -7.642 19637 14972 1 19 . 1 1 78 78 HIS C C 78 173.634 173.634 172.865 0.769 19637 14973 1 19 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.930 -3.105 19637 14974 1 19 . 1 1 78 78 HIS CB C 78 29.947 29.947 32.797 -2.850 19637 14975 1 19 . 1 1 78 78 HIS H H 78 7.822 7.822 8.654 -0.832 19637 14976 1 19 . 1 1 79 79 HIS N N 79 113.176 113.176 118.984 -5.808 19637 14977 1 19 . 1 1 79 79 HIS C C 79 173.841 173.841 172.948 0.893 19637 14978 1 19 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.296 0.120 19637 14979 1 19 . 1 1 79 79 HIS CB C 79 34.026 34.026 31.768 2.258 19637 14980 1 19 . 1 1 79 79 HIS H H 79 7.912 7.912 7.977 -0.065 19637 14981 1 19 . 1 1 80 80 LEU N N 80 118.153 118.153 122.035 -3.882 19637 14982 1 19 . 1 1 80 80 LEU C C 80 177.821 177.821 176.601 1.220 19637 14983 1 19 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.853 -1.694 19637 14984 1 19 . 1 1 80 80 LEU CB C 80 46.263 46.263 43.051 3.212 19637 14985 1 19 . 1 1 80 80 LEU H H 80 8.205 8.205 8.313 -0.108 19637 14986 1 19 . 1 1 83 83 THR N N 83 115.326 115.326 113.731 1.595 19637 14987 1 19 . 1 1 83 83 THR C C 83 171.362 171.362 174.168 -2.806 19637 14988 1 19 . 1 1 83 83 THR CA C 83 60.540 60.540 60.242 0.298 19637 14989 1 19 . 1 1 83 83 THR CB C 83 72.068 72.068 72.182 -0.114 19637 14990 1 19 . 1 1 83 83 THR H H 83 7.688 7.688 8.381 -0.693 19637 14991 1 19 . 1 1 84 84 LEU N N 84 129.848 129.848 125.085 4.763 19637 14992 1 19 . 1 1 84 84 LEU C C 84 174.373 174.373 175.590 -1.217 19637 14993 1 19 . 1 1 84 84 LEU CA C 84 52.421 52.421 55.338 -2.917 19637 14994 1 19 . 1 1 84 84 LEU CB C 84 44.756 44.756 43.078 1.679 19637 14995 1 19 . 1 1 84 84 LEU H H 84 9.013 9.013 8.725 0.288 19637 14996 1 19 . 1 1 85 85 MET N N 85 121.374 121.374 123.219 -1.845 19637 14997 1 19 . 1 1 85 85 MET C C 85 175.407 175.407 173.586 1.821 19637 14998 1 19 . 1 1 85 85 MET CA C 85 52.421 52.421 54.444 -2.022 19637 14999 1 19 . 1 1 85 85 MET CB C 85 34.558 34.558 36.508 -1.950 19637 15000 1 19 . 1 1 85 85 MET H H 85 9.823 9.823 8.912 0.911 19637 15001 1 19 . 1 1 86 86 ALA N N 86 123.689 123.689 128.083 -4.394 19637 15002 1 19 . 1 1 86 86 ALA C C 86 176.205 176.205 175.651 0.554 19637 15003 1 19 . 1 1 86 86 ALA CA C 86 49.805 49.805 50.735 -0.930 19637 15004 1 19 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.823 -1.872 19637 15005 1 19 . 1 1 86 86 ALA H H 86 9.080 9.080 9.057 0.023 19637 15006 1 19 . 1 1 87 87 GLN N N 87 116.548 116.548 123.843 -7.295 19637 15007 1 19 . 1 1 87 87 GLN C C 87 175.495 175.495 174.531 0.964 19637 15008 1 19 . 1 1 87 87 GLN CA C 87 53.358 53.358 53.755 -0.397 19637 15009 1 19 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.430 1.862 19637 15010 1 19 . 1 1 87 87 GLN H H 87 9.061 9.061 8.695 0.366 19637 15011 1 19 . 1 1 88 88 TRP N N 88 119.609 119.609 121.663 -2.054 19637 15012 1 19 . 1 1 88 88 TRP C C 88 174.727 174.727 173.559 1.168 19637 15013 1 19 . 1 1 88 88 TRP CA C 88 54.954 54.954 55.226 -0.272 19637 15014 1 19 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.379 -0.900 19637 15015 1 19 . 1 1 88 88 TRP H H 88 8.893 8.893 8.424 0.469 19637 15016 1 19 . 1 1 89 89 TYR N N 89 124.849 124.849 121.272 3.577 19637 15017 1 19 . 1 1 89 89 TYR C C 89 176.382 176.382 174.684 1.698 19637 15018 1 19 . 1 1 89 89 TYR CA C 89 55.042 55.042 57.741 -2.699 19637 15019 1 19 . 1 1 89 89 TYR H H 89 8.815 8.815 8.807 0.008 19637 15020 1 19 . 1 1 90 90 PHE N N 90 122.137 122.137 126.932 -4.795 19637 15021 1 19 . 1 1 90 90 PHE C C 90 176.304 176.304 174.009 2.295 19637 15022 1 19 . 1 1 90 90 PHE CA C 90 57.821 57.821 58.055 -0.234 19637 15023 1 19 . 1 1 90 90 PHE CB C 90 38.460 38.460 40.183 -1.723 19637 15024 1 19 . 1 1 90 90 PHE H H 90 9.171 9.171 7.515 1.656 19637 15025 1 19 . 1 1 91 91 GLY N N 91 108.961 108.961 112.097 -3.136 19637 15026 1 19 . 1 1 91 91 GLY C C 91 172.748 172.748 172.314 0.434 19637 15027 1 19 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.107 -0.776 19637 15028 1 19 . 1 1 91 91 GLY H H 91 9.342 9.342 7.977 1.365 19637 15029 1 19 . 1 1 92 92 ASP N N 92 119.869 119.869 119.072 0.797 19637 15030 1 19 . 1 1 92 92 ASP C C 92 175.968 175.968 175.244 0.724 19637 15031 1 19 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.251 -2.629 19637 15032 1 19 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.964 -0.401 19637 15033 1 19 . 1 1 92 92 ASP H H 92 8.612 8.612 8.282 0.330 19637 15034 1 19 . 1 1 93 93 ALA N N 93 117.665 117.665 125.801 -8.136 19637 15035 1 19 . 1 1 93 93 ALA C C 93 178.748 178.748 177.279 1.469 19637 15036 1 19 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.819 0.361 19637 15037 1 19 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.475 -2.564 19637 15038 1 19 . 1 1 93 93 ALA H H 93 8.673 8.673 8.806 -0.133 19637 15039 1 19 . 1 1 94 94 SER N N 94 115.062 115.062 113.442 1.620 19637 15040 1 19 . 1 1 94 94 SER C C 94 175.348 175.348 173.714 1.634 19637 15041 1 19 . 1 1 94 94 SER CA C 94 58.185 58.185 59.243 -1.058 19637 15042 1 19 . 1 1 94 94 SER CB C 94 62.757 62.757 62.572 0.185 19637 15043 1 19 . 1 1 94 94 SER H H 94 8.902 8.902 8.491 0.411 19637 15044 1 19 . 1 1 95 95 SER N N 95 120.754 120.754 115.794 4.960 19637 15045 1 19 . 1 1 95 95 SER CA C 95 58.451 58.451 57.557 0.894 19637 15046 1 19 . 1 1 95 95 SER CB C 95 62.580 62.580 63.188 -0.608 19637 15047 1 19 . 1 1 95 95 SER H H 95 7.922 7.922 8.024 -0.102 19637 15048 1 19 . 1 1 96 96 LYS N N 96 120.924 120.924 122.503 -1.579 19637 15049 1 19 . 1 1 96 96 LYS CA C 96 54.599 54.599 59.148 -4.549 19637 15050 1 19 . 1 1 96 96 LYS CB C 96 31.366 31.366 31.709 -0.343 19637 15051 1 19 . 1 1 96 96 LYS H H 96 8.555 8.555 8.591 -0.036 19637 15052 1 19 . 1 1 97 97 PHE N N 97 117.773 117.773 118.081 -0.308 19637 15053 1 19 . 1 1 97 97 PHE CA C 97 54.688 54.688 57.060 -2.372 19637 15054 1 19 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.174 0.148 19637 15055 1 19 . 1 1 97 97 PHE H H 97 7.596 7.596 8.219 -0.623 19637 15056 1 19 . 1 1 98 98 ARG N N 98 120.982 120.982 120.597 0.385 19637 15057 1 19 . 1 1 98 98 ARG C C 98 173.047 173.047 173.899 -0.852 19637 15058 1 19 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.166 -0.695 19637 15059 1 19 . 1 1 98 98 ARG CB C 98 31.632 31.632 33.492 -1.861 19637 15060 1 19 . 1 1 98 98 ARG H H 98 8.823 8.823 9.188 -0.365 19637 15061 1 19 . 1 1 100 100 TYR N N 100 117.775 117.775 122.222 -4.447 19637 15062 1 19 . 1 1 100 100 TYR C C 100 173.047 173.047 174.173 -1.126 19637 15063 1 19 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.144 -2.190 19637 15064 1 19 . 1 1 100 100 TYR CB C 100 39.524 39.524 40.494 -0.970 19637 15065 1 19 . 1 1 100 100 TYR H H 100 8.885 8.885 8.431 0.454 19637 15066 1 19 . 1 1 101 101 VAL N N 101 111.744 111.744 123.680 -11.936 19637 15067 1 19 . 1 1 101 101 VAL C C 101 173.457 173.457 175.138 -1.681 19637 15068 1 19 . 1 1 101 101 VAL CA C 101 57.105 57.105 61.187 -4.082 19637 15069 1 19 . 1 1 101 101 VAL CB C 101 34.381 34.381 31.443 2.938 19637 15070 1 19 . 1 1 101 101 VAL H H 101 8.365 8.365 8.368 -0.003 19637 15071 1 19 . 1 1 102 102 GLY N N 102 108.300 108.300 114.178 -5.878 19637 15072 1 19 . 1 1 102 102 GLY C C 102 171.241 171.241 171.776 -0.535 19637 15073 1 19 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.050 1.922 19637 15074 1 19 . 1 1 102 102 GLY H H 102 8.271 8.271 8.563 -0.292 19637 15075 1 19 . 1 1 103 103 ALA N N 103 120.836 120.836 122.601 -1.765 19637 15076 1 19 . 1 1 103 103 ALA C C 103 175.614 175.614 175.647 -0.033 19637 15077 1 19 . 1 1 103 103 ALA CA C 103 49.833 49.833 52.227 -2.394 19637 15078 1 19 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.220 0.498 19637 15079 1 19 . 1 1 103 103 ALA H H 103 9.048 9.048 8.283 0.765 19637 15080 1 19 . 1 1 104 104 GLY N N 104 107.477 107.477 109.545 -2.068 19637 15081 1 19 . 1 1 104 104 GLY C C 104 171.832 171.832 172.054 -0.222 19637 15082 1 19 . 1 1 104 104 GLY CA C 104 46.479 46.479 46.285 0.194 19637 15083 1 19 . 1 1 104 104 GLY H H 104 8.661 8.661 8.387 0.274 19637 15084 1 19 . 1 1 105 105 ILE N N 105 118.575 118.575 120.606 -2.031 19637 15085 1 19 . 1 1 105 105 ILE C C 105 172.275 172.275 174.082 -1.807 19637 15086 1 19 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.806 -3.458 19637 15087 1 19 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.688 -0.036 19637 15088 1 19 . 1 1 105 105 ILE H H 105 9.020 9.020 8.325 0.695 19637 15089 1 19 . 1 1 106 106 ASN N N 106 123.879 123.879 125.025 -1.146 19637 15090 1 19 . 1 1 106 106 ASN C C 106 171.418 171.418 173.433 -2.015 19637 15091 1 19 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.903 -0.319 19637 15092 1 19 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.657 1.197 19637 15093 1 19 . 1 1 106 106 ASN H H 106 9.659 9.659 8.942 0.717 19637 15094 1 19 . 1 1 107 107 TYR N N 107 125.744 125.744 121.168 4.576 19637 15095 1 19 . 1 1 107 107 TYR C C 107 173.073 173.073 173.728 -0.655 19637 15096 1 19 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.955 -3.451 19637 15097 1 19 . 1 1 107 107 TYR CB C 107 40.854 40.854 41.053 -0.199 19637 15098 1 19 . 1 1 107 107 TYR H H 107 8.273 8.273 8.184 0.089 19637 15099 1 19 . 1 1 108 108 THR N N 108 119.337 119.337 116.086 3.251 19637 15100 1 19 . 1 1 108 108 THR C C 108 172.457 172.457 173.360 -0.903 19637 15101 1 19 . 1 1 108 108 THR CA C 108 60.452 60.452 60.766 -0.314 19637 15102 1 19 . 1 1 108 108 THR CB C 108 69.319 69.319 70.046 -0.727 19637 15103 1 19 . 1 1 108 108 THR H H 108 8.446 8.446 8.594 -0.148 19637 15104 1 19 . 1 1 109 109 THR N N 109 118.655 118.655 120.644 -1.989 19637 15105 1 19 . 1 1 109 109 THR C C 109 171.625 171.625 174.045 -2.420 19637 15106 1 19 . 1 1 109 109 THR CA C 109 56.810 56.810 61.490 -4.680 19637 15107 1 19 . 1 1 109 109 THR H H 109 7.548 7.548 8.393 -0.845 19637 15108 1 19 . 1 1 112 112 ASP N N 112 116.796 116.796 121.482 -4.686 19637 15109 1 19 . 1 1 112 112 ASP C C 112 175.490 175.490 174.742 0.748 19637 15110 1 19 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.621 0.263 19637 15111 1 19 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.797 -5.135 19637 15112 1 19 . 1 1 112 112 ASP H H 112 8.995 8.995 8.453 0.542 19637 15113 1 19 . 1 1 113 113 ASN N N 113 117.801 117.801 120.424 -2.623 19637 15114 1 19 . 1 1 113 113 ASN C C 113 175.702 175.702 174.163 1.539 19637 15115 1 19 . 1 1 113 113 ASN CA C 113 50.736 50.736 52.632 -1.896 19637 15116 1 19 . 1 1 113 113 ASN CB C 113 39.348 39.348 40.100 -0.752 19637 15117 1 19 . 1 1 113 113 ASN H H 113 8.410 8.410 8.424 -0.014 19637 15118 1 19 . 1 1 114 114 GLY N N 114 107.744 107.744 104.641 3.103 19637 15119 1 19 . 1 1 114 114 GLY C C 114 171.979 171.979 172.661 -0.682 19637 15120 1 19 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.556 0.238 19637 15121 1 19 . 1 1 114 114 GLY H H 114 8.557 8.557 8.317 0.240 19637 15122 1 19 . 1 1 115 115 PHE N N 115 119.554 119.554 118.106 1.448 19637 15123 1 19 . 1 1 115 115 PHE C C 115 176.192 176.192 172.572 3.620 19637 15124 1 19 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.724 -1.234 19637 15125 1 19 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.674 0.407 19637 15126 1 19 . 1 1 115 115 PHE H H 115 8.607 8.607 8.515 0.092 19637 15127 1 19 . 1 1 116 116 ASN N N 116 120.356 120.356 123.309 -2.953 19637 15128 1 19 . 1 1 116 116 ASN C C 116 175.407 175.407 174.499 0.908 19637 15129 1 19 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.343 -2.272 19637 15130 1 19 . 1 1 116 116 ASN CB C 116 37.041 37.041 41.036 -3.995 19637 15131 1 19 . 1 1 116 116 ASN H H 116 8.240 8.240 8.193 0.047 19637 15132 1 19 . 1 1 117 117 ASP N N 117 117.610 117.610 118.355 -0.745 19637 15133 1 19 . 1 1 117 117 ASP C C 117 178.298 178.298 177.866 0.432 19637 15134 1 19 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.735 -0.387 19637 15135 1 19 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.320 -1.772 19637 15136 1 19 . 1 1 117 117 ASP H H 117 8.460 8.460 8.698 -0.238 19637 15137 1 19 . 1 1 118 118 HIS N N 118 118.493 118.493 118.888 -0.395 19637 15138 1 19 . 1 1 118 118 HIS C C 118 177.821 177.821 177.597 0.224 19637 15139 1 19 . 1 1 118 118 HIS CA C 118 56.766 56.766 57.794 -1.028 19637 15140 1 19 . 1 1 118 118 HIS CB C 118 26.727 26.727 30.136 -3.409 19637 15141 1 19 . 1 1 118 118 HIS H H 118 8.185 8.185 8.233 -0.048 19637 15142 1 19 . 1 1 119 119 GLY N N 119 107.937 107.937 106.743 1.194 19637 15143 1 19 . 1 1 119 119 GLY C C 119 175.082 175.082 176.185 -1.103 19637 15144 1 19 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.965 -0.353 19637 15145 1 19 . 1 1 119 119 GLY H H 119 8.788 8.788 8.484 0.304 19637 15146 1 19 . 1 1 120 120 LYS N N 120 122.898 122.898 122.489 0.409 19637 15147 1 19 . 1 1 120 120 LYS C C 120 181.612 181.612 179.784 1.828 19637 15148 1 19 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.266 -0.549 19637 15149 1 19 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.493 -1.837 19637 15150 1 19 . 1 1 120 120 LYS H H 120 8.890 8.890 8.487 0.403 19637 15151 1 19 . 1 1 121 121 GLU N N 121 120.995 120.995 118.615 2.380 19637 15152 1 19 . 1 1 121 121 GLU C C 121 177.327 177.327 177.074 0.253 19637 15153 1 19 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.278 -0.625 19637 15154 1 19 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.530 -1.800 19637 15155 1 19 . 1 1 121 121 GLU H H 121 8.234 8.234 7.882 0.352 19637 15156 1 19 . 1 1 122 122 ALA N N 122 119.811 119.811 119.975 -0.164 19637 15157 1 19 . 1 1 122 122 ALA C C 122 176.500 176.500 177.884 -1.384 19637 15158 1 19 . 1 1 122 122 ALA CA C 122 51.042 51.042 50.946 0.096 19637 15159 1 19 . 1 1 122 122 ALA CB C 122 16.710 16.710 18.854 -2.144 19637 15160 1 19 . 1 1 122 122 ALA H H 122 7.259 7.259 7.405 -0.146 19637 15161 1 19 . 1 1 123 123 GLY N N 123 103.863 103.863 107.662 -3.799 19637 15162 1 19 . 1 1 123 123 GLY C C 123 175.082 175.082 173.849 1.233 19637 15163 1 19 . 1 1 123 123 GLY CA C 123 44.264 44.264 46.398 -2.134 19637 15164 1 19 . 1 1 123 123 GLY H H 123 7.745 7.745 8.062 -0.317 19637 15165 1 19 . 1 1 124 124 LEU N N 124 123.722 123.722 113.382 10.340 19637 15166 1 19 . 1 1 124 124 LEU C C 124 176.293 176.293 175.488 0.805 19637 15167 1 19 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.275 -0.006 19637 15168 1 19 . 1 1 124 124 LEU CB C 124 38.016 38.016 44.323 -6.307 19637 15169 1 19 . 1 1 124 124 LEU H H 124 7.461 7.461 7.798 -0.337 19637 15170 1 19 . 1 1 125 125 SER N N 125 114.112 114.112 114.775 -0.663 19637 15171 1 19 . 1 1 125 125 SER C C 125 173.250 173.250 172.909 0.341 19637 15172 1 19 . 1 1 125 125 SER CA C 125 57.259 57.259 59.795 -2.537 19637 15173 1 19 . 1 1 125 125 SER CB C 125 65.684 65.684 63.435 2.249 19637 15174 1 19 . 1 1 125 125 SER H H 125 8.809 8.809 8.540 0.269 19637 15175 1 19 . 1 1 126 126 ASP N N 126 117.817 117.817 121.519 -3.702 19637 15176 1 19 . 1 1 126 126 ASP C C 126 174.107 174.107 174.528 -0.421 19637 15177 1 19 . 1 1 126 126 ASP CA C 126 54.593 54.593 54.668 -0.075 19637 15178 1 19 . 1 1 126 126 ASP CB C 126 38.726 38.726 42.313 -3.587 19637 15179 1 19 . 1 1 126 126 ASP H H 126 9.035 9.035 8.410 0.625 19637 15180 1 19 . 1 1 127 127 LEU N N 127 120.160 120.160 119.653 0.507 19637 15181 1 19 . 1 1 127 127 LEU C C 127 176.726 176.726 174.601 2.125 19637 15182 1 19 . 1 1 127 127 LEU CA C 127 54.371 54.371 53.400 0.971 19637 15183 1 19 . 1 1 127 127 LEU CB C 127 40.322 40.322 45.244 -4.922 19637 15184 1 19 . 1 1 127 127 LEU H H 127 8.109 8.109 7.664 0.445 19637 15185 1 19 . 1 1 128 128 SER N N 128 120.909 120.909 111.474 9.435 19637 15186 1 19 . 1 1 128 128 SER C C 128 172.038 172.038 173.465 -1.427 19637 15187 1 19 . 1 1 128 128 SER CA C 128 57.120 57.120 57.556 -0.436 19637 15188 1 19 . 1 1 128 128 SER CB C 128 64.353 64.353 64.332 0.021 19637 15189 1 19 . 1 1 128 128 SER H H 128 9.499 9.499 8.353 1.146 19637 15190 1 19 . 1 1 129 129 LEU N N 129 122.260 122.260 118.992 3.268 19637 15191 1 19 . 1 1 129 129 LEU C C 129 176.411 176.411 176.217 0.194 19637 15192 1 19 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.770 -1.931 19637 15193 1 19 . 1 1 129 129 LEU CB C 129 42.539 42.539 42.280 0.259 19637 15194 1 19 . 1 1 129 129 LEU H H 129 8.182 8.182 8.570 -0.388 19637 15195 1 19 . 1 1 130 130 LYS N N 130 122.490 122.490 120.916 1.574 19637 15196 1 19 . 1 1 130 130 LYS C C 130 176.754 176.754 175.702 1.052 19637 15197 1 19 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.701 0.341 19637 15198 1 19 . 1 1 130 130 LYS CB C 130 32.518 32.518 34.918 -2.400 19637 15199 1 19 . 1 1 130 130 LYS H H 130 7.536 7.536 8.414 -0.878 19637 15200 1 19 . 1 1 131 131 ASP N N 131 123.217 123.217 120.462 2.755 19637 15201 1 19 . 1 1 131 131 ASP C C 131 175.998 175.998 175.951 0.047 19637 15202 1 19 . 1 1 131 131 ASP CA C 131 54.460 54.460 54.846 -0.386 19637 15203 1 19 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.401 -0.168 19637 15204 1 19 . 1 1 131 131 ASP H H 131 8.782 8.782 8.419 0.363 19637 15205 1 19 . 1 1 132 132 SER N N 132 115.445 115.445 119.081 -3.636 19637 15206 1 19 . 1 1 132 132 SER C C 132 171.920 171.920 173.763 -1.843 19637 15207 1 19 . 1 1 132 132 SER CA C 132 55.790 55.790 57.396 -1.606 19637 15208 1 19 . 1 1 132 132 SER CB C 132 64.087 64.087 63.818 0.269 19637 15209 1 19 . 1 1 132 132 SER H H 132 9.016 9.016 8.401 0.615 19637 15210 1 19 . 1 1 133 133 TRP N N 133 124.389 124.389 121.567 2.822 19637 15211 1 19 . 1 1 133 133 TRP C C 133 178.243 178.243 174.895 3.348 19637 15212 1 19 . 1 1 133 133 TRP CA C 133 55.309 55.309 56.033 -0.724 19637 15213 1 19 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.330 0.071 19637 15214 1 19 . 1 1 133 133 TRP H H 133 7.896 7.896 7.803 0.093 19637 15215 1 19 . 1 1 134 134 GLY N N 134 107.658 107.658 110.439 -2.781 19637 15216 1 19 . 1 1 134 134 GLY C C 134 171.123 171.123 173.276 -2.153 19637 15217 1 19 . 1 1 134 134 GLY CA C 134 44.750 44.750 43.826 0.924 19637 15218 1 19 . 1 1 134 134 GLY H H 134 8.896 8.896 8.882 0.014 19637 15219 1 19 . 1 1 135 135 ALA N N 135 122.244 122.244 129.751 -7.507 19637 15220 1 19 . 1 1 135 135 ALA C C 135 174.875 174.875 176.523 -1.648 19637 15221 1 19 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.540 -0.399 19637 15222 1 19 . 1 1 135 135 ALA CB C 135 19.306 19.306 19.778 -0.472 19637 15223 1 19 . 1 1 135 135 ALA H H 135 8.946 8.946 8.468 0.478 19637 15224 1 19 . 1 1 136 136 ALA N N 136 118.579 118.579 126.774 -8.195 19637 15225 1 19 . 1 1 136 136 ALA C C 136 175.434 175.434 176.260 -0.826 19637 15226 1 19 . 1 1 136 136 ALA CA C 136 49.494 49.494 50.744 -1.250 19637 15227 1 19 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.532 1.675 19637 15228 1 19 . 1 1 136 136 ALA H H 136 8.111 8.111 8.414 -0.303 19637 15229 1 19 . 1 1 137 137 GLY N N 137 105.005 105.005 108.865 -3.860 19637 15230 1 19 . 1 1 137 137 GLY C C 137 171.300 171.300 172.907 -1.607 19637 15231 1 19 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.568 -2.386 19637 15232 1 19 . 1 1 137 137 GLY H H 137 8.933 8.933 8.224 0.709 19637 15233 1 19 . 1 1 138 138 GLN N N 138 115.695 115.695 121.193 -5.498 19637 15234 1 19 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.791 -1.528 19637 15235 1 19 . 1 1 138 138 GLN H H 138 8.559 8.559 8.380 0.179 19637 15236 1 19 . 1 1 140 140 GLY N N 140 110.307 110.307 113.690 -3.383 19637 15237 1 19 . 1 1 140 140 GLY C C 140 171.329 171.329 172.882 -1.553 19637 15238 1 19 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.718 0.899 19637 15239 1 19 . 1 1 140 140 GLY H H 140 7.936 7.936 8.019 -0.083 19637 15240 1 19 . 1 1 141 141 VAL N N 141 112.233 112.233 117.427 -5.194 19637 15241 1 19 . 1 1 141 141 VAL C C 141 171.979 171.979 173.750 -1.771 19637 15242 1 19 . 1 1 141 141 VAL CA C 141 59.914 59.914 61.857 -1.943 19637 15243 1 19 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.719 -1.782 19637 15244 1 19 . 1 1 141 141 VAL H H 141 8.646 8.646 8.508 0.138 19637 15245 1 19 . 1 1 142 142 ASP N N 142 122.520 122.520 126.053 -3.533 19637 15246 1 19 . 1 1 142 142 ASP C C 142 175.259 175.259 174.128 1.131 19637 15247 1 19 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.699 -0.988 19637 15248 1 19 . 1 1 142 142 ASP CB C 142 43.780 43.780 43.128 0.652 19637 15249 1 19 . 1 1 142 142 ASP H H 142 7.402 7.402 9.035 -1.633 19637 15250 1 19 . 1 1 143 143 TYR N N 143 122.331 122.331 126.847 -4.516 19637 15251 1 19 . 1 1 143 143 TYR C C 143 173.870 173.870 173.432 0.438 19637 15252 1 19 . 1 1 143 143 TYR CA C 143 54.948 54.948 55.578 -0.630 19637 15253 1 19 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.073 -0.308 19637 15254 1 19 . 1 1 143 143 TYR H H 143 9.396 9.396 8.775 0.621 19637 15255 1 19 . 1 1 144 144 LEU N N 144 130.341 130.341 125.843 4.498 19637 15256 1 19 . 1 1 144 144 LEU C C 144 174.786 174.786 175.386 -0.600 19637 15257 1 19 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.079 0.445 19637 15258 1 19 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.328 -1.651 19637 15259 1 19 . 1 1 144 144 LEU H H 144 8.313 8.313 8.320 -0.007 19637 15260 1 19 . 1 1 145 145 ILE N N 145 124.602 124.602 121.949 2.653 19637 15261 1 19 . 1 1 145 145 ILE C C 145 177.593 177.593 176.396 1.197 19637 15262 1 19 . 1 1 145 145 ILE CA C 145 60.097 60.097 61.807 -1.710 19637 15263 1 19 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.486 -1.623 19637 15264 1 19 . 1 1 145 145 ILE H H 145 8.809 8.809 8.493 0.316 19637 15265 1 19 . 1 1 146 146 ASN N N 146 118.348 118.348 113.387 4.961 19637 15266 1 19 . 1 1 146 146 ASN CA C 146 51.318 51.318 53.532 -2.214 19637 15267 1 19 . 1 1 146 146 ASN CB C 146 36.952 36.952 40.774 -3.822 19637 15268 1 19 . 1 1 146 146 ASN H H 146 8.362 8.362 7.898 0.464 19637 15269 1 19 . 1 1 147 147 ARG N N 147 113.940 113.940 119.790 -5.850 19637 15270 1 19 . 1 1 147 147 ARG C C 147 176.470 176.470 174.693 1.777 19637 15271 1 19 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.889 -0.305 19637 15272 1 19 . 1 1 147 147 ARG CB C 147 28.705 28.705 28.693 0.012 19637 15273 1 19 . 1 1 147 147 ARG H H 147 8.072 8.072 8.715 -0.643 19637 15274 1 19 . 1 1 148 148 ASP N N 148 112.938 112.938 116.534 -3.596 19637 15275 1 19 . 1 1 148 148 ASP C C 148 174.373 174.373 174.948 -0.575 19637 15276 1 19 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.499 0.828 19637 15277 1 19 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.385 0.243 19637 15278 1 19 . 1 1 148 148 ASP H H 148 7.668 7.668 6.808 0.860 19637 15279 1 19 . 1 1 149 149 TRP N N 149 116.148 116.148 121.002 -4.854 19637 15280 1 19 . 1 1 149 149 TRP C C 149 175.574 175.574 175.609 -0.035 19637 15281 1 19 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.659 -0.173 19637 15282 1 19 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.066 0.654 19637 15283 1 19 . 1 1 149 149 TRP H H 149 7.788 7.788 7.553 0.235 19637 15284 1 19 . 1 1 150 150 LEU N N 150 118.106 118.106 117.610 0.496 19637 15285 1 19 . 1 1 150 150 LEU C C 150 175.141 175.141 174.566 0.575 19637 15286 1 19 . 1 1 150 150 LEU CA C 150 52.155 52.155 52.919 -0.764 19637 15287 1 19 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.311 -0.910 19637 15288 1 19 . 1 1 150 150 LEU H H 150 9.306 9.306 9.011 0.295 19637 15289 1 19 . 1 1 151 151 VAL N N 151 115.211 115.211 113.888 1.323 19637 15290 1 19 . 1 1 151 151 VAL C C 151 173.524 173.524 173.757 -0.233 19637 15291 1 19 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.085 -0.786 19637 15292 1 19 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.192 -0.343 19637 15293 1 19 . 1 1 151 151 VAL H H 151 9.293 9.293 8.846 0.447 19637 15294 1 19 . 1 1 152 152 ASN N N 152 124.526 124.526 121.445 3.081 19637 15295 1 19 . 1 1 152 152 ASN CA C 152 51.755 51.755 51.785 -0.030 19637 15296 1 19 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.189 0.439 19637 15297 1 19 . 1 1 152 152 ASN H H 152 8.893 8.893 8.887 0.006 19637 15298 1 19 . 1 1 153 153 MET N N 153 118.533 118.533 118.538 -0.005 19637 15299 1 19 . 1 1 153 153 MET C C 153 173.987 173.987 173.988 -0.001 19637 15300 1 19 . 1 1 153 153 MET CA C 153 54.017 54.017 54.943 -0.926 19637 15301 1 19 . 1 1 153 153 MET CB C 153 36.243 36.243 37.079 -0.836 19637 15302 1 19 . 1 1 153 153 MET H H 153 8.003 8.003 9.212 -1.209 19637 15303 1 19 . 1 1 154 154 SER N N 154 113.225 113.225 115.973 -2.748 19637 15304 1 19 . 1 1 154 154 SER C C 154 172.120 172.120 172.676 -0.556 19637 15305 1 19 . 1 1 154 154 SER CA C 154 56.550 56.550 57.252 -0.702 19637 15306 1 19 . 1 1 154 154 SER CB C 154 64.619 64.619 65.961 -1.342 19637 15307 1 19 . 1 1 154 154 SER H H 154 9.191 9.191 8.920 0.271 19637 15308 1 19 . 1 1 155 155 VAL N N 155 119.543 119.543 119.749 -0.206 19637 15309 1 19 . 1 1 155 155 VAL C C 155 173.973 173.973 173.988 -0.015 19637 15310 1 19 . 1 1 155 155 VAL CA C 155 59.382 59.382 59.849 -0.467 19637 15311 1 19 . 1 1 155 155 VAL H H 155 9.190 9.190 8.127 1.063 19637 15312 1 19 . 1 1 156 156 TRP N N 156 124.596 124.596 126.151 -1.555 19637 15313 1 19 . 1 1 156 156 TRP C C 156 175.237 175.237 174.445 0.792 19637 15314 1 19 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.494 -3.231 19637 15315 1 19 . 1 1 156 156 TRP CB C 156 33.228 33.228 29.892 3.336 19637 15316 1 19 . 1 1 156 156 TRP H H 156 9.883 9.883 7.941 1.942 19637 15317 1 19 . 1 1 160 160 ILE N N 160 123.211 123.211 119.367 3.844 19637 15318 1 19 . 1 1 160 160 ILE C C 160 173.545 173.545 175.041 -1.496 19637 15319 1 19 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.522 -0.253 19637 15320 1 19 . 1 1 160 160 ILE H H 160 7.948 7.948 8.250 -0.302 19637 15321 1 19 . 1 1 161 161 ASP N N 161 128.357 128.357 124.142 4.215 19637 15322 1 19 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.304 -1.883 19637 15323 1 19 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.360 0.470 19637 15324 1 19 . 1 1 161 161 ASP H H 161 8.302 8.302 8.325 -0.023 19637 15325 1 19 . 1 1 162 162 THR N N 162 117.472 117.472 113.022 4.450 19637 15326 1 19 . 1 1 162 162 THR CA C 162 57.259 57.259 61.220 -3.961 19637 15327 1 19 . 1 1 162 162 THR CB C 162 68.167 68.167 69.062 -0.895 19637 15328 1 19 . 1 1 162 162 THR H H 162 8.788 8.788 8.176 0.612 19637 15329 1 19 . 1 1 163 163 THR N N 163 120.189 120.189 121.206 -1.017 19637 15330 1 19 . 1 1 163 163 THR CA C 163 60.629 60.629 61.928 -1.299 19637 15331 1 19 . 1 1 163 163 THR CB C 163 68.278 68.278 69.741 -1.463 19637 15332 1 19 . 1 1 163 163 THR H H 163 8.429 8.429 8.120 0.309 19637 15333 1 19 . 1 1 164 164 ALA N N 164 127.991 127.991 129.379 -1.388 19637 15334 1 19 . 1 1 164 164 ALA C C 164 174.993 174.993 175.127 -0.134 19637 15335 1 19 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.529 -1.339 19637 15336 1 19 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.286 -2.335 19637 15337 1 19 . 1 1 164 164 ALA H H 164 9.428 9.428 9.008 0.420 19637 15338 1 19 . 1 1 165 165 ASN N N 165 122.214 122.214 121.163 1.051 19637 15339 1 19 . 1 1 165 165 ASN C C 165 173.047 173.047 173.494 -0.447 19637 15340 1 19 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.431 -1.290 19637 15341 1 19 . 1 1 165 165 ASN CB C 165 40.056 40.056 42.490 -2.434 19637 15342 1 19 . 1 1 165 165 ASN H H 165 9.216 9.216 8.153 1.063 19637 15343 1 19 . 1 1 166 166 TYR N N 166 116.330 116.330 117.282 -0.952 19637 15344 1 19 . 1 1 166 166 TYR C C 166 172.260 172.260 173.549 -1.289 19637 15345 1 19 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.726 -0.329 19637 15346 1 19 . 1 1 166 166 TYR CB C 166 37.662 37.662 39.679 -2.017 19637 15347 1 19 . 1 1 166 166 TYR H H 166 7.816 7.816 8.289 -0.473 19637 15348 1 19 . 1 1 167 167 LYS N N 167 117.734 117.734 120.607 -2.873 19637 15349 1 19 . 1 1 167 167 LYS C C 167 174.760 174.760 174.471 0.289 19637 15350 1 19 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.798 -2.047 19637 15351 1 19 . 1 1 167 167 LYS CB C 167 34.381 34.381 34.389 -0.008 19637 15352 1 19 . 1 1 167 167 LYS H H 167 9.100 9.100 8.673 0.427 19637 15353 1 19 . 1 1 168 168 LEU N N 168 121.623 121.623 126.818 -5.195 19637 15354 1 19 . 1 1 168 168 LEU C C 168 177.877 177.877 176.178 1.699 19637 15355 1 19 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.907 -2.398 19637 15356 1 19 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.857 0.037 19637 15357 1 19 . 1 1 168 168 LEU H H 168 8.372 8.372 8.920 -0.548 19637 15358 1 19 . 1 1 169 169 GLY N N 169 119.264 119.264 111.158 8.106 19637 15359 1 19 . 1 1 169 169 GLY C C 169 175.602 175.602 174.914 0.688 19637 15360 1 19 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.113 1.144 19637 15361 1 19 . 1 1 169 169 GLY H H 169 9.603 9.603 8.620 0.983 19637 15362 1 19 . 1 1 170 170 GLY N N 170 104.659 104.659 106.647 -1.988 19637 15363 1 19 . 1 1 170 170 GLY C C 170 172.570 172.570 172.854 -0.284 19637 15364 1 19 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.407 -1.367 19637 15365 1 19 . 1 1 170 170 GLY H H 170 8.381 8.381 8.376 0.005 19637 15366 1 19 . 1 1 171 171 ALA N N 171 123.570 123.570 124.515 -0.945 19637 15367 1 19 . 1 1 171 171 ALA C C 171 177.569 177.569 175.426 2.143 19637 15368 1 19 . 1 1 171 171 ALA CA C 171 49.893 49.893 52.289 -2.396 19637 15369 1 19 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.868 -1.538 19637 15370 1 19 . 1 1 171 171 ALA H H 171 7.650 7.650 7.999 -0.349 19637 15371 1 19 . 1 1 172 172 GLN N N 172 124.057 124.057 122.872 1.185 19637 15372 1 19 . 1 1 172 172 GLN C C 172 174.869 174.869 173.947 0.922 19637 15373 1 19 . 1 1 172 172 GLN CA C 172 56.018 56.018 54.721 1.297 19637 15374 1 19 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.574 -0.401 19637 15375 1 19 . 1 1 172 172 GLN H H 172 8.840 8.840 8.255 0.585 19637 15376 1 19 . 1 1 173 173 GLN N N 173 124.328 124.328 121.898 2.430 19637 15377 1 19 . 1 1 173 173 GLN C C 173 174.953 174.953 174.350 0.603 19637 15378 1 19 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.997 -2.842 19637 15379 1 19 . 1 1 173 173 GLN CB C 173 29.415 29.415 29.443 -0.028 19637 15380 1 19 . 1 1 173 173 GLN H H 173 9.023 9.023 8.375 0.648 19637 15381 1 19 . 1 1 174 174 HIS N N 174 115.629 115.629 123.088 -7.459 19637 15382 1 19 . 1 1 174 174 HIS C C 174 173.103 173.103 172.517 0.586 19637 15383 1 19 . 1 1 174 174 HIS CA C 174 53.446 53.446 56.492 -3.046 19637 15384 1 19 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.513 -1.832 19637 15385 1 19 . 1 1 174 174 HIS H H 174 8.227 8.227 8.715 -0.488 19637 15386 1 19 . 1 1 175 175 ASP N N 175 120.615 120.615 121.520 -0.905 19637 15387 1 19 . 1 1 175 175 ASP C C 175 175.013 175.013 174.401 0.612 19637 15388 1 19 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.803 -1.072 19637 15389 1 19 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.485 0.626 19637 15390 1 19 . 1 1 175 175 ASP H H 175 8.964 8.964 8.100 0.864 19637 15391 1 19 . 1 1 176 176 SER N N 176 118.175 118.175 115.823 2.352 19637 15392 1 19 . 1 1 176 176 SER C C 176 173.496 173.496 174.026 -0.530 19637 15393 1 19 . 1 1 176 176 SER CA C 176 57.697 57.697 56.820 0.877 19637 15394 1 19 . 1 1 176 176 SER CB C 176 62.757 62.757 64.205 -1.448 19637 15395 1 19 . 1 1 176 176 SER H H 176 9.137 9.137 8.490 0.647 19637 15396 1 19 . 1 1 177 177 VAL N N 177 123.737 123.737 125.382 -1.645 19637 15397 1 19 . 1 1 177 177 VAL C C 177 173.398 173.398 175.632 -2.234 19637 15398 1 19 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.111 -1.835 19637 15399 1 19 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.407 0.111 19637 15400 1 19 . 1 1 177 177 VAL H H 177 8.492 8.492 8.050 0.442 19637 15401 1 19 . 1 1 178 178 ARG N N 178 127.628 127.628 125.248 2.380 19637 15402 1 19 . 1 1 178 178 ARG C C 178 175.097 175.097 174.756 0.341 19637 15403 1 19 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.592 -1.575 19637 15404 1 19 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.156 -2.007 19637 15405 1 19 . 1 1 178 178 ARG H H 178 8.513 8.513 8.519 -0.006 19637 15406 1 19 . 1 1 182 182 TRP N N 182 115.616 115.616 120.368 -4.752 19637 15407 1 19 . 1 1 182 182 TRP C C 182 176.613 176.613 173.657 2.956 19637 15408 1 19 . 1 1 182 182 TRP CA C 182 55.228 55.228 54.678 0.550 19637 15409 1 19 . 1 1 182 182 TRP CB C 182 31.809 31.809 27.648 4.161 19637 15410 1 19 . 1 1 182 182 TRP H H 182 7.491 7.491 7.840 -0.349 19637 15411 1 19 . 1 1 183 183 VAL N N 183 121.618 121.618 119.307 2.311 19637 15412 1 19 . 1 1 183 183 VAL CA C 183 58.628 58.628 58.941 -0.314 19637 15413 1 19 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.834 -2.138 19637 15414 1 19 . 1 1 183 183 VAL H H 183 9.372 9.372 6.747 2.625 19637 15415 1 19 . 1 1 185 185 MET N N 185 129.032 129.032 129.087 -0.055 19637 15416 1 19 . 1 1 185 185 MET C C 185 172.186 172.186 174.435 -2.249 19637 15417 1 19 . 1 1 185 185 MET CA C 185 53.091 53.091 54.841 -1.750 19637 15418 1 19 . 1 1 185 185 MET CB C 185 33.405 33.405 33.737 -0.332 19637 15419 1 19 . 1 1 185 185 MET H H 185 9.615 9.615 8.992 0.623 19637 15420 1 19 . 1 1 186 186 PHE N N 186 124.085 124.085 123.424 0.661 19637 15421 1 19 . 1 1 186 186 PHE C C 186 174.816 174.816 172.893 1.923 19637 15422 1 19 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.811 -0.680 19637 15423 1 19 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.392 -0.803 19637 15424 1 19 . 1 1 186 186 PHE H H 186 7.976 7.976 8.419 -0.443 19637 15425 1 19 . 1 1 187 187 SER N N 187 116.369 116.369 116.388 -0.019 19637 15426 1 19 . 1 1 187 187 SER C C 187 171.305 171.305 172.222 -0.917 19637 15427 1 19 . 1 1 187 187 SER CA C 187 57.348 57.348 57.116 0.232 19637 15428 1 19 . 1 1 187 187 SER CB C 187 66.127 66.127 66.171 -0.044 19637 15429 1 19 . 1 1 187 187 SER H H 187 9.355 9.355 8.957 0.398 19637 15430 1 19 . 1 1 188 188 ALA N N 188 119.248 119.248 121.429 -2.181 19637 15431 1 19 . 1 1 188 188 ALA C C 188 175.996 175.996 175.707 0.289 19637 15432 1 19 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.143 -1.058 19637 15433 1 19 . 1 1 188 188 ALA CB C 188 21.079 21.079 21.207 -0.128 19637 15434 1 19 . 1 1 188 188 ALA H H 188 8.300 8.300 7.982 0.318 19637 15435 1 19 . 1 1 189 189 GLY N N 189 104.914 104.914 105.052 -0.138 19637 15436 1 19 . 1 1 189 189 GLY C C 189 170.650 170.650 172.275 -1.625 19637 15437 1 19 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.365 -1.319 19637 15438 1 19 . 1 1 189 189 GLY H H 189 9.235 9.235 8.271 0.964 19637 15439 1 19 . 1 1 190 190 TYR N N 190 121.149 121.149 124.982 -3.833 19637 15440 1 19 . 1 1 190 190 TYR C C 190 173.608 173.608 175.619 -2.011 19637 15441 1 19 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.774 -1.643 19637 15442 1 19 . 1 1 190 190 TYR CB C 190 42.362 42.362 41.804 0.558 19637 15443 1 19 . 1 1 190 190 TYR H H 190 8.865 8.865 8.603 0.262 19637 15444 1 19 . 1 1 191 191 ARG N N 191 125.697 125.697 128.526 -2.829 19637 15445 1 19 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.801 -3.272 19637 15446 1 19 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.156 -0.209 19637 15447 1 19 . 1 1 191 191 ARG H H 191 7.469 7.469 9.059 -1.590 19637 15448 1 20 . 1 1 2 2 HIS N N 2 119.214 119.214 118.181 1.033 19637 15449 1 20 . 1 1 2 2 HIS C C 2 171.081 171.081 172.831 -1.750 19637 15450 1 20 . 1 1 2 2 HIS CA C 2 52.288 52.288 56.179 -3.891 19637 15451 1 20 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.921 -6.625 19637 15452 1 20 . 1 1 2 2 HIS H H 2 8.422 8.422 8.068 0.354 19637 15453 1 20 . 1 1 3 3 GLU N N 3 113.500 113.500 122.256 -8.756 19637 15454 1 20 . 1 1 3 3 GLU C C 3 174.619 174.619 174.402 0.217 19637 15455 1 20 . 1 1 3 3 GLU CA C 3 53.662 53.662 56.529 -2.867 19637 15456 1 20 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.757 -2.342 19637 15457 1 20 . 1 1 3 3 GLU H H 3 6.642 6.642 8.119 -1.477 19637 15458 1 20 . 1 1 4 4 ALA N N 4 120.680 120.680 122.001 -1.321 19637 15459 1 20 . 1 1 4 4 ALA C C 4 178.439 178.439 177.522 0.917 19637 15460 1 20 . 1 1 4 4 ALA CA C 4 52.376 52.376 52.751 -0.375 19637 15461 1 20 . 1 1 4 4 ALA CB C 4 17.443 17.443 17.740 -0.297 19637 15462 1 20 . 1 1 4 4 ALA H H 4 8.701 8.701 8.411 0.290 19637 15463 1 20 . 1 1 5 5 GLY N N 5 112.786 112.786 108.227 4.559 19637 15464 1 20 . 1 1 5 5 GLY C C 5 173.309 173.309 174.180 -0.871 19637 15465 1 20 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.827 -1.274 19637 15466 1 20 . 1 1 5 5 GLY H H 5 9.294 9.294 7.947 1.347 19637 15467 1 20 . 1 1 6 6 GLU N N 6 121.755 121.755 120.314 1.441 19637 15468 1 20 . 1 1 6 6 GLU C C 6 173.693 173.693 175.305 -1.612 19637 15469 1 20 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.997 0.021 19637 15470 1 20 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.359 0.829 19637 15471 1 20 . 1 1 6 6 GLU H H 6 7.955 7.955 8.004 -0.049 19637 15472 1 20 . 1 1 7 7 PHE N N 7 124.802 124.802 126.245 -1.443 19637 15473 1 20 . 1 1 7 7 PHE C C 7 174.039 174.039 174.148 -0.109 19637 15474 1 20 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.580 -2.247 19637 15475 1 20 . 1 1 7 7 PHE CB C 7 41.741 41.741 40.469 1.272 19637 15476 1 20 . 1 1 7 7 PHE H H 7 8.648 8.648 8.654 -0.006 19637 15477 1 20 . 1 1 8 8 PHE N N 8 121.132 121.132 125.719 -4.587 19637 15478 1 20 . 1 1 8 8 PHE C C 8 171.861 171.861 174.566 -2.705 19637 15479 1 20 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.475 -1.926 19637 15480 1 20 . 1 1 8 8 PHE CB C 8 40.677 40.677 44.244 -3.567 19637 15481 1 20 . 1 1 8 8 PHE H H 8 8.574 8.574 9.155 -0.581 19637 15482 1 20 . 1 1 9 9 MET N N 9 120.391 120.391 120.556 -0.165 19637 15483 1 20 . 1 1 9 9 MET C C 9 174.166 174.166 174.619 -0.453 19637 15484 1 20 . 1 1 9 9 MET CA C 9 52.199 52.199 55.073 -2.874 19637 15485 1 20 . 1 1 9 9 MET CB C 9 37.307 37.307 37.083 0.224 19637 15486 1 20 . 1 1 9 9 MET H H 9 8.541 8.541 9.266 -0.725 19637 15487 1 20 . 1 1 10 10 ARG N N 10 117.892 117.892 121.902 -4.010 19637 15488 1 20 . 1 1 10 10 ARG C C 10 175.289 175.289 174.035 1.254 19637 15489 1 20 . 1 1 10 10 ARG CA C 10 53.446 53.446 55.449 -2.003 19637 15490 1 20 . 1 1 10 10 ARG CB C 10 31.366 31.366 33.850 -2.484 19637 15491 1 20 . 1 1 10 10 ARG H H 10 8.357 8.357 9.150 -0.793 19637 15492 1 20 . 1 1 11 11 ALA N N 11 119.664 119.664 126.374 -6.710 19637 15493 1 20 . 1 1 11 11 ALA C C 11 176.057 176.057 176.167 -0.110 19637 15494 1 20 . 1 1 11 11 ALA CA C 11 49.632 49.632 50.156 -0.524 19637 15495 1 20 . 1 1 11 11 ALA CB C 11 21.518 21.518 22.201 -0.683 19637 15496 1 20 . 1 1 11 11 ALA H H 11 9.154 9.154 8.668 0.486 19637 15497 1 20 . 1 1 12 12 GLY N N 12 106.262 106.262 109.064 -2.802 19637 15498 1 20 . 1 1 12 12 GLY C C 12 172.068 172.068 171.795 0.273 19637 15499 1 20 . 1 1 12 12 GLY CA C 12 45.149 45.149 45.591 -0.442 19637 15500 1 20 . 1 1 12 12 GLY H H 12 8.655 8.655 8.949 -0.294 19637 15501 1 20 . 1 1 13 13 SER N N 13 116.893 116.893 113.776 3.117 19637 15502 1 20 . 1 1 13 13 SER C C 13 173.604 173.604 172.659 0.945 19637 15503 1 20 . 1 1 13 13 SER CA C 13 56.367 56.367 56.756 -0.389 19637 15504 1 20 . 1 1 13 13 SER CB C 13 64.087 64.087 66.029 -1.942 19637 15505 1 20 . 1 1 13 13 SER H H 13 8.644 8.644 8.037 0.607 19637 15506 1 20 . 1 1 14 14 ALA N N 14 125.234 125.234 123.478 1.756 19637 15507 1 20 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.828 -1.201 19637 15508 1 20 . 1 1 14 14 ALA CB C 14 18.330 18.330 19.902 -1.573 19637 15509 1 20 . 1 1 14 14 ALA H H 14 9.120 9.120 8.297 0.823 19637 15510 1 20 . 1 1 15 15 THR N N 15 121.303 121.303 121.530 -0.227 19637 15511 1 20 . 1 1 15 15 THR C C 15 175.230 175.230 173.867 1.363 19637 15512 1 20 . 1 1 15 15 THR CA C 15 60.895 60.895 61.811 -0.916 19637 15513 1 20 . 1 1 15 15 THR CB C 15 70.029 70.029 70.283 -0.254 19637 15514 1 20 . 1 1 15 15 THR H H 15 9.351 9.351 8.642 0.709 19637 15515 1 20 . 1 1 16 16 VAL N N 16 126.781 126.781 124.605 2.176 19637 15516 1 20 . 1 1 16 16 VAL C C 16 174.432 174.432 176.169 -1.737 19637 15517 1 20 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.612 -0.806 19637 15518 1 20 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.315 -1.393 19637 15519 1 20 . 1 1 16 16 VAL H H 16 9.110 9.110 8.656 0.454 19637 15520 1 20 . 1 1 17 17 ARG N N 17 129.806 129.806 128.692 1.114 19637 15521 1 20 . 1 1 17 17 ARG C C 17 173.440 173.440 174.639 -1.199 19637 15522 1 20 . 1 1 17 17 ARG CA C 17 51.407 51.407 54.194 -2.787 19637 15523 1 20 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.442 -0.140 19637 15524 1 20 . 1 1 17 17 ARG H H 17 9.325 9.325 8.483 0.842 19637 15525 1 20 . 1 1 19 19 THR N N 19 114.402 114.402 113.703 0.699 19637 15526 1 20 . 1 1 19 19 THR CA C 19 61.022 61.022 60.595 0.427 19637 15527 1 20 . 1 1 19 19 THR CB C 19 69.142 69.142 70.195 -1.053 19637 15528 1 20 . 1 1 19 19 THR H H 19 8.021 8.021 8.138 -0.117 19637 15529 1 20 . 1 1 20 20 GLU N N 20 123.598 123.598 119.412 4.186 19637 15530 1 20 . 1 1 20 20 GLU C C 20 177.007 177.007 175.574 1.433 19637 15531 1 20 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.576 -1.096 19637 15532 1 20 . 1 1 20 20 GLU CB C 20 28.794 28.794 29.554 -0.760 19637 15533 1 20 . 1 1 20 20 GLU H H 20 8.601 8.601 9.051 -0.450 19637 15534 1 20 . 1 1 21 21 GLY N N 21 110.237 110.237 110.710 -0.473 19637 15535 1 20 . 1 1 21 21 GLY C C 21 174.077 174.077 173.019 1.058 19637 15536 1 20 . 1 1 21 21 GLY CA C 21 44.661 44.661 44.344 0.317 19637 15537 1 20 . 1 1 21 21 GLY H H 21 8.530 8.530 8.289 0.241 19637 15538 1 20 . 1 1 22 22 ALA N N 22 123.476 123.476 124.620 -1.144 19637 15539 1 20 . 1 1 22 22 ALA C C 22 178.158 178.158 176.163 1.995 19637 15540 1 20 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.356 -0.601 19637 15541 1 20 . 1 1 22 22 ALA CB C 22 17.778 17.778 20.066 -2.288 19637 15542 1 20 . 1 1 22 22 ALA H H 22 8.279 8.279 8.114 0.165 19637 15543 1 20 . 1 1 23 23 GLY N N 23 107.265 107.265 110.103 -2.838 19637 15544 1 20 . 1 1 23 23 GLY C C 23 174.727 174.727 175.429 -0.702 19637 15545 1 20 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.434 -0.994 19637 15546 1 20 . 1 1 23 23 GLY H H 23 8.452 8.452 9.275 -0.823 19637 15547 1 20 . 1 1 24 24 GLY N N 24 108.306 108.306 108.229 0.077 19637 15548 1 20 . 1 1 24 24 GLY C C 24 174.786 174.786 174.787 -0.001 19637 15549 1 20 . 1 1 24 24 GLY CA C 24 44.440 44.440 44.700 -0.261 19637 15550 1 20 . 1 1 24 24 GLY H H 24 8.221 8.221 8.033 0.188 19637 15551 1 20 . 1 1 25 25 THR N N 25 114.381 114.381 113.398 0.983 19637 15552 1 20 . 1 1 25 25 THR C C 25 175.170 175.170 174.651 0.519 19637 15553 1 20 . 1 1 25 25 THR CA C 25 61.599 61.599 61.875 -0.276 19637 15554 1 20 . 1 1 25 25 THR CB C 25 68.521 68.521 69.400 -0.879 19637 15555 1 20 . 1 1 25 25 THR H H 25 8.213 8.213 8.063 0.150 19637 15556 1 20 . 1 1 26 26 LEU N N 26 123.038 123.038 121.821 1.217 19637 15557 1 20 . 1 1 26 26 LEU C C 26 177.918 177.918 175.930 1.988 19637 15558 1 20 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.029 -0.347 19637 15559 1 20 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.395 -1.250 19637 15560 1 20 . 1 1 26 26 LEU H H 26 8.425 8.425 8.041 0.384 19637 15561 1 20 . 1 1 27 27 GLY N N 27 108.786 108.786 108.063 0.723 19637 15562 1 20 . 1 1 27 27 GLY C C 27 175.023 175.023 174.197 0.826 19637 15563 1 20 . 1 1 27 27 GLY CA C 27 44.839 44.839 45.130 -0.291 19637 15564 1 20 . 1 1 27 27 GLY H H 27 8.260 8.260 8.480 -0.220 19637 15565 1 20 . 1 1 28 28 SER N N 28 116.175 116.175 115.315 0.860 19637 15566 1 20 . 1 1 28 28 SER CA C 28 58.140 58.140 58.702 -0.562 19637 15567 1 20 . 1 1 28 28 SER CB C 28 62.846 62.846 63.878 -1.032 19637 15568 1 20 . 1 1 28 28 SER H H 28 8.330 8.330 8.082 0.248 19637 15569 1 20 . 1 1 29 29 LEU N N 29 122.260 122.260 118.148 4.112 19637 15570 1 20 . 1 1 29 29 LEU C C 29 177.512 177.512 175.752 1.760 19637 15571 1 20 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.468 -1.052 19637 15572 1 20 . 1 1 29 29 LEU CB C 29 40.322 40.322 43.120 -2.797 19637 15573 1 20 . 1 1 29 29 LEU H H 29 8.157 8.157 7.599 0.558 19637 15574 1 20 . 1 1 30 30 GLY N N 30 107.575 107.575 107.367 0.208 19637 15575 1 20 . 1 1 30 30 GLY C C 30 174.225 174.225 174.552 -0.327 19637 15576 1 20 . 1 1 30 30 GLY CA C 30 44.528 44.528 45.452 -0.924 19637 15577 1 20 . 1 1 30 30 GLY H H 30 8.144 8.144 8.693 -0.549 19637 15578 1 20 . 1 1 31 31 GLY N N 31 107.996 107.996 107.259 0.737 19637 15579 1 20 . 1 1 31 31 GLY C C 31 173.664 173.664 173.183 0.481 19637 15580 1 20 . 1 1 31 31 GLY CA C 31 44.218 44.218 45.148 -0.930 19637 15581 1 20 . 1 1 31 31 GLY H H 31 8.044 8.044 7.636 0.408 19637 15582 1 20 . 1 1 32 32 PHE N N 32 119.248 119.248 120.869 -1.621 19637 15583 1 20 . 1 1 32 32 PHE C C 32 175.495 175.495 174.074 1.421 19637 15584 1 20 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.225 -0.852 19637 15585 1 20 . 1 1 32 32 PHE CB C 32 39.258 39.258 42.844 -3.586 19637 15586 1 20 . 1 1 32 32 PHE H H 32 8.181 8.181 7.998 0.183 19637 15587 1 20 . 1 1 33 33 SER N N 33 117.720 117.720 116.726 0.994 19637 15588 1 20 . 1 1 33 33 SER C C 33 173.368 173.368 172.894 0.474 19637 15589 1 20 . 1 1 33 33 SER CA C 33 55.746 55.746 56.841 -1.095 19637 15590 1 20 . 1 1 33 33 SER CB C 33 64.265 64.265 64.098 0.167 19637 15591 1 20 . 1 1 33 33 SER H H 33 8.771 8.771 8.083 0.688 19637 15592 1 20 . 1 1 34 34 VAL N N 34 123.007 123.007 118.457 4.550 19637 15593 1 20 . 1 1 34 34 VAL CA C 34 59.426 59.426 61.587 -2.161 19637 15594 1 20 . 1 1 34 34 VAL CB C 34 32.785 32.785 32.392 0.393 19637 15595 1 20 . 1 1 34 34 VAL H H 34 8.525 8.525 8.204 0.321 19637 15596 1 20 . 1 1 35 35 THR N N 35 115.459 115.459 116.983 -1.524 19637 15597 1 20 . 1 1 35 35 THR CA C 35 61.200 61.200 62.304 -1.104 19637 15598 1 20 . 1 1 35 35 THR CB C 35 69.851 69.851 68.786 1.065 19637 15599 1 20 . 1 1 35 35 THR H H 35 8.147 8.147 8.287 -0.140 19637 15600 1 20 . 1 1 36 36 ASN N N 36 118.274 118.274 126.804 -8.530 19637 15601 1 20 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.852 -1.445 19637 15602 1 20 . 1 1 36 36 ASN CB C 36 38.105 38.105 40.145 -2.040 19637 15603 1 20 . 1 1 36 36 ASN H H 36 8.719 8.719 8.658 0.061 19637 15604 1 20 . 1 1 37 37 ASN N N 37 115.657 115.657 120.459 -4.802 19637 15605 1 20 . 1 1 37 37 ASN CA C 37 54.865 54.865 52.707 2.158 19637 15606 1 20 . 1 1 37 37 ASN CB C 37 44.312 44.312 41.354 2.958 19637 15607 1 20 . 1 1 37 37 ASN H H 37 8.432 8.432 8.421 0.011 19637 15608 1 20 . 1 1 38 38 THR N N 38 122.444 122.444 113.308 9.136 19637 15609 1 20 . 1 1 38 38 THR CA C 38 61.288 61.288 62.246 -0.958 19637 15610 1 20 . 1 1 38 38 THR CB C 38 69.142 69.142 69.354 -0.212 19637 15611 1 20 . 1 1 38 38 THR H H 38 8.095 8.095 8.381 -0.286 19637 15612 1 20 . 1 1 40 40 LEU N N 40 120.457 120.457 121.448 -0.991 19637 15613 1 20 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.313 0.014 19637 15614 1 20 . 1 1 40 40 LEU CB C 40 41.218 41.218 40.837 0.381 19637 15615 1 20 . 1 1 40 40 LEU H H 40 6.902 6.902 8.686 -1.784 19637 15616 1 20 . 1 1 41 41 GLY N N 41 111.223 111.223 111.571 -0.348 19637 15617 1 20 . 1 1 41 41 GLY C C 41 171.034 171.034 172.434 -1.400 19637 15618 1 20 . 1 1 41 41 GLY CA C 41 42.843 42.843 43.976 -1.133 19637 15619 1 20 . 1 1 41 41 GLY H H 41 8.978 8.978 8.746 0.232 19637 15620 1 20 . 1 1 42 42 LEU N N 42 122.123 122.123 122.742 -0.619 19637 15621 1 20 . 1 1 42 42 LEU C C 42 175.350 175.350 175.294 0.056 19637 15622 1 20 . 1 1 42 42 LEU CA C 42 52.155 52.155 53.592 -1.437 19637 15623 1 20 . 1 1 42 42 LEU CB C 42 45.377 45.377 42.504 2.873 19637 15624 1 20 . 1 1 42 42 LEU H H 42 8.679 8.679 8.614 0.065 19637 15625 1 20 . 1 1 43 43 THR N N 43 109.917 109.917 118.114 -8.197 19637 15626 1 20 . 1 1 43 43 THR C C 43 173.516 173.516 173.149 0.367 19637 15627 1 20 . 1 1 43 43 THR CA C 43 58.057 58.057 60.950 -2.893 19637 15628 1 20 . 1 1 43 43 THR CB C 43 70.029 70.029 71.207 -1.178 19637 15629 1 20 . 1 1 43 43 THR H H 43 8.792 8.792 8.426 0.366 19637 15630 1 20 . 1 1 44 44 PHE N N 44 118.699 118.699 125.094 -6.395 19637 15631 1 20 . 1 1 44 44 PHE C C 44 173.917 173.917 175.087 -1.170 19637 15632 1 20 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.152 -0.672 19637 15633 1 20 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.520 -1.756 19637 15634 1 20 . 1 1 44 44 PHE H H 44 8.566 8.566 9.037 -0.471 19637 15635 1 20 . 1 1 45 45 THR N N 45 118.229 118.229 118.321 -0.092 19637 15636 1 20 . 1 1 45 45 THR C C 45 170.886 170.886 172.394 -1.508 19637 15637 1 20 . 1 1 45 45 THR CA C 45 60.097 60.097 61.892 -1.795 19637 15638 1 20 . 1 1 45 45 THR CB C 45 68.433 68.433 71.064 -2.631 19637 15639 1 20 . 1 1 45 45 THR H H 45 7.903 7.903 9.101 -1.198 19637 15640 1 20 . 1 1 46 46 TYR N N 46 124.450 124.450 128.112 -3.662 19637 15641 1 20 . 1 1 46 46 TYR C C 46 174.254 174.254 173.672 0.582 19637 15642 1 20 . 1 1 46 46 TYR CA C 46 54.150 54.150 55.942 -1.792 19637 15643 1 20 . 1 1 46 46 TYR CB C 46 42.273 42.273 40.669 1.604 19637 15644 1 20 . 1 1 46 46 TYR H H 46 8.941 8.941 8.931 0.010 19637 15645 1 20 . 1 1 47 47 MET N N 47 123.598 123.598 125.465 -1.867 19637 15646 1 20 . 1 1 47 47 MET C C 47 175.082 175.082 176.442 -1.360 19637 15647 1 20 . 1 1 47 47 MET CA C 47 50.425 50.425 55.516 -5.091 19637 15648 1 20 . 1 1 47 47 MET CB C 47 26.222 26.222 31.671 -5.449 19637 15649 1 20 . 1 1 47 47 MET H H 47 7.798 7.798 8.451 -0.653 19637 15650 1 20 . 1 1 48 48 ALA N N 48 129.975 129.975 128.074 1.901 19637 15651 1 20 . 1 1 48 48 ALA C C 48 178.568 178.568 177.642 0.926 19637 15652 1 20 . 1 1 48 48 ALA CA C 48 53.305 53.305 54.081 -0.776 19637 15653 1 20 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.516 -1.804 19637 15654 1 20 . 1 1 48 48 ALA H H 48 8.717 8.717 8.500 0.217 19637 15655 1 20 . 1 1 49 49 THR N N 49 106.011 106.011 111.079 -5.068 19637 15656 1 20 . 1 1 49 49 THR C C 49 171.950 171.950 172.967 -1.017 19637 15657 1 20 . 1 1 49 49 THR CA C 49 57.786 57.786 62.867 -5.081 19637 15658 1 20 . 1 1 49 49 THR CB C 49 70.535 70.535 69.155 1.380 19637 15659 1 20 . 1 1 49 49 THR H H 49 8.072 8.072 8.032 0.040 19637 15660 1 20 . 1 1 50 50 ASP N N 50 114.062 114.062 121.157 -7.095 19637 15661 1 20 . 1 1 50 50 ASP C C 50 175.318 175.318 175.752 -0.434 19637 15662 1 20 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.361 0.415 19637 15663 1 20 . 1 1 50 50 ASP CB C 50 39.790 39.790 41.195 -1.405 19637 15664 1 20 . 1 1 50 50 ASP H H 50 8.390 8.390 8.220 0.170 19637 15665 1 20 . 1 1 51 51 ASN N N 51 111.850 111.850 117.279 -5.429 19637 15666 1 20 . 1 1 51 51 ASN C C 51 171.684 171.684 173.819 -2.135 19637 15667 1 20 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.941 -0.525 19637 15668 1 20 . 1 1 51 51 ASN CB C 51 40.233 40.233 37.241 2.992 19637 15669 1 20 . 1 1 51 51 ASN H H 51 7.887 7.887 8.344 -0.457 19637 15670 1 20 . 1 1 52 52 ILE N N 52 118.929 118.929 123.101 -4.172 19637 15671 1 20 . 1 1 52 52 ILE C C 52 175.495 175.495 174.409 1.086 19637 15672 1 20 . 1 1 52 52 ILE CA C 52 59.648 59.648 62.050 -2.402 19637 15673 1 20 . 1 1 52 52 ILE CB C 52 37.484 37.484 38.521 -1.037 19637 15674 1 20 . 1 1 52 52 ILE H H 52 7.707 7.707 7.702 0.005 19637 15675 1 20 . 1 1 53 53 GLY N N 53 114.998 114.998 115.620 -0.622 19637 15676 1 20 . 1 1 53 53 GLY C C 53 171.536 171.536 172.170 -0.634 19637 15677 1 20 . 1 1 53 53 GLY CA C 53 42.932 42.932 44.019 -1.087 19637 15678 1 20 . 1 1 53 53 GLY H H 53 8.678 8.678 8.469 0.209 19637 15679 1 20 . 1 1 54 54 VAL N N 54 118.327 118.327 120.313 -1.986 19637 15680 1 20 . 1 1 54 54 VAL C C 54 173.309 173.309 174.874 -1.565 19637 15681 1 20 . 1 1 54 54 VAL CA C 54 59.648 59.648 61.311 -1.663 19637 15682 1 20 . 1 1 54 54 VAL CB C 54 32.873 32.873 33.076 -0.203 19637 15683 1 20 . 1 1 54 54 VAL H H 54 8.734 8.734 8.573 0.161 19637 15684 1 20 . 1 1 55 55 GLU N N 55 126.907 126.907 126.314 0.593 19637 15685 1 20 . 1 1 55 55 GLU C C 55 173.575 173.575 174.692 -1.117 19637 15686 1 20 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.518 -1.249 19637 15687 1 20 . 1 1 55 55 GLU CB C 55 34.727 34.727 33.431 1.296 19637 15688 1 20 . 1 1 55 55 GLU H H 55 9.084 9.084 8.720 0.364 19637 15689 1 20 . 1 1 56 56 LEU N N 56 126.739 126.739 124.635 2.104 19637 15690 1 20 . 1 1 56 56 LEU C C 56 174.786 174.786 174.913 -0.127 19637 15691 1 20 . 1 1 56 56 LEU CA C 56 51.933 51.933 54.063 -2.130 19637 15692 1 20 . 1 1 56 56 LEU CB C 56 45.022 45.022 45.210 -0.188 19637 15693 1 20 . 1 1 56 56 LEU H H 56 9.168 9.168 8.854 0.314 19637 15694 1 20 . 1 1 57 57 LEU N N 57 127.189 127.189 127.162 0.027 19637 15695 1 20 . 1 1 57 57 LEU C C 57 174.579 174.579 174.779 -0.200 19637 15696 1 20 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.873 -0.783 19637 15697 1 20 . 1 1 57 57 LEU CB C 57 43.160 43.160 45.611 -2.451 19637 15698 1 20 . 1 1 57 57 LEU H H 57 9.174 9.174 9.002 0.172 19637 15699 1 20 . 1 1 58 58 ALA N N 58 125.061 125.061 126.017 -0.956 19637 15700 1 20 . 1 1 58 58 ALA C C 58 172.925 172.925 175.208 -2.283 19637 15701 1 20 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.698 -1.774 19637 15702 1 20 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.849 -1.770 19637 15703 1 20 . 1 1 58 58 ALA H H 58 9.435 9.435 8.725 0.710 19637 15704 1 20 . 1 1 59 59 ALA N N 59 116.911 116.911 124.166 -7.255 19637 15705 1 20 . 1 1 59 59 ALA C C 59 176.248 176.248 176.365 -0.117 19637 15706 1 20 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.486 -1.415 19637 15707 1 20 . 1 1 59 59 ALA CB C 59 19.659 19.659 21.619 -1.960 19637 15708 1 20 . 1 1 59 59 ALA H H 59 6.833 6.833 8.121 -1.288 19637 15709 1 20 . 1 1 60 60 THR N N 60 105.771 105.771 115.531 -9.760 19637 15710 1 20 . 1 1 60 60 THR C C 60 170.975 170.975 174.369 -3.394 19637 15711 1 20 . 1 1 60 60 THR CA C 60 59.515 59.515 61.004 -1.489 19637 15712 1 20 . 1 1 60 60 THR CB C 60 63.487 63.487 68.604 -5.117 19637 15713 1 20 . 1 1 60 60 THR H H 60 7.718 7.718 8.645 -0.927 19637 15714 1 20 . 1 1 62 62 PHE N N 62 122.473 122.473 119.396 3.077 19637 15715 1 20 . 1 1 62 62 PHE C C 62 174.934 174.934 175.383 -0.449 19637 15716 1 20 . 1 1 62 62 PHE CA C 62 56.721 56.721 59.373 -2.652 19637 15717 1 20 . 1 1 62 62 PHE CB C 62 39.613 39.613 39.084 0.528 19637 15718 1 20 . 1 1 62 62 PHE H H 62 8.251 8.251 8.039 0.212 19637 15719 1 20 . 1 1 63 63 ARG N N 63 118.016 118.016 124.970 -6.954 19637 15720 1 20 . 1 1 63 63 ARG C C 63 174.423 174.423 173.646 0.777 19637 15721 1 20 . 1 1 63 63 ARG CA C 63 52.648 52.648 55.185 -2.537 19637 15722 1 20 . 1 1 63 63 ARG CB C 63 31.898 31.898 33.977 -2.079 19637 15723 1 20 . 1 1 63 63 ARG H H 63 7.378 7.378 8.472 -1.094 19637 15724 1 20 . 1 1 64 64 HIS N N 64 120.040 120.040 118.154 1.886 19637 15725 1 20 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.369 -2.416 19637 15726 1 20 . 1 1 64 64 HIS H H 64 8.588 8.588 8.106 0.482 19637 15727 1 20 . 1 1 66 66 ILE N N 66 122.668 122.668 120.957 1.711 19637 15728 1 20 . 1 1 66 66 ILE C C 66 175.141 175.141 175.821 -0.680 19637 15729 1 20 . 1 1 66 66 ILE CA C 66 57.963 57.963 58.855 -0.892 19637 15730 1 20 . 1 1 66 66 ILE CB C 66 38.637 38.637 41.387 -2.750 19637 15731 1 20 . 1 1 66 66 ILE H H 66 8.726 8.726 8.055 0.671 19637 15732 1 20 . 1 1 67 67 GLY N N 67 114.948 114.948 111.561 3.387 19637 15733 1 20 . 1 1 67 67 GLY C C 67 172.570 172.570 173.313 -0.743 19637 15734 1 20 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.483 -0.354 19637 15735 1 20 . 1 1 67 67 GLY H H 67 8.780 8.780 8.518 0.262 19637 15736 1 20 . 1 1 68 68 THR N N 68 106.079 106.079 115.468 -9.389 19637 15737 1 20 . 1 1 68 68 THR C C 68 175.574 175.574 174.169 1.405 19637 15738 1 20 . 1 1 68 68 THR CA C 68 58.672 58.672 60.456 -1.784 19637 15739 1 20 . 1 1 68 68 THR CB C 68 71.270 71.270 71.439 -0.170 19637 15740 1 20 . 1 1 68 68 THR H H 68 7.431 7.431 7.760 -0.329 19637 15741 1 20 . 1 1 69 69 ARG N N 69 122.303 122.303 120.976 1.327 19637 15742 1 20 . 1 1 69 69 ARG C C 69 178.298 178.298 177.030 1.268 19637 15743 1 20 . 1 1 69 69 ARG CA C 69 58.229 58.229 56.720 1.509 19637 15744 1 20 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.997 -2.824 19637 15745 1 20 . 1 1 69 69 ARG H H 69 8.783 8.783 8.784 -0.001 19637 15746 1 20 . 1 1 70 70 ALA N N 70 117.681 117.681 123.928 -6.247 19637 15747 1 20 . 1 1 70 70 ALA C C 70 179.281 179.281 177.991 1.290 19637 15748 1 20 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.611 -1.342 19637 15749 1 20 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.684 -0.709 19637 15750 1 20 . 1 1 70 70 ALA H H 70 8.262 8.262 8.712 -0.450 19637 15751 1 20 . 1 1 71 71 THR N N 71 105.486 105.486 108.044 -2.558 19637 15752 1 20 . 1 1 71 71 THR C C 71 176.136 176.136 175.620 0.516 19637 15753 1 20 . 1 1 71 71 THR CA C 71 60.895 60.895 62.398 -1.503 19637 15754 1 20 . 1 1 71 71 THR CB C 71 70.383 70.383 69.115 1.268 19637 15755 1 20 . 1 1 71 71 THR H H 71 7.473 7.473 7.587 -0.114 19637 15756 1 20 . 1 1 72 72 GLY N N 72 111.099 111.099 113.216 -2.117 19637 15757 1 20 . 1 1 72 72 GLY C C 72 175.052 175.052 173.239 1.813 19637 15758 1 20 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.808 -1.762 19637 15759 1 20 . 1 1 72 72 GLY H H 72 8.194 8.194 7.779 0.415 19637 15760 1 20 . 1 1 73 73 ASP N N 73 121.919 121.919 121.718 0.201 19637 15761 1 20 . 1 1 73 73 ASP C C 73 177.889 177.889 175.483 2.406 19637 15762 1 20 . 1 1 73 73 ASP CA C 73 55.042 55.042 52.546 2.496 19637 15763 1 20 . 1 1 73 73 ASP CB C 73 39.524 39.524 44.810 -5.286 19637 15764 1 20 . 1 1 73 73 ASP H H 73 8.668 8.668 7.690 0.978 19637 15765 1 20 . 1 1 74 74 ILE N N 74 117.113 117.113 115.690 1.423 19637 15766 1 20 . 1 1 74 74 ILE C C 74 175.013 175.013 173.971 1.042 19637 15767 1 20 . 1 1 74 74 ILE CA C 74 59.914 59.914 59.448 0.466 19637 15768 1 20 . 1 1 74 74 ILE CB C 74 41.297 41.297 39.862 1.435 19637 15769 1 20 . 1 1 74 74 ILE H H 74 9.327 9.327 8.022 1.305 19637 15770 1 20 . 1 1 75 75 ALA N N 75 121.329 121.329 120.204 1.125 19637 15771 1 20 . 1 1 75 75 ALA CA C 75 50.425 50.425 49.735 0.690 19637 15772 1 20 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.462 0.061 19637 15773 1 20 . 1 1 75 75 ALA H H 75 8.086 8.086 7.739 0.347 19637 15774 1 20 . 1 1 76 76 THR N N 76 116.168 116.168 117.107 -0.939 19637 15775 1 20 . 1 1 76 76 THR C C 76 173.043 173.043 174.100 -1.057 19637 15776 1 20 . 1 1 76 76 THR CA C 76 60.540 60.540 63.397 -2.857 19637 15777 1 20 . 1 1 76 76 THR CB C 76 69.674 69.674 68.746 0.928 19637 15778 1 20 . 1 1 76 76 THR H H 76 8.539 8.539 8.488 0.051 19637 15779 1 20 . 1 1 77 77 VAL N N 77 117.996 117.996 122.097 -4.101 19637 15780 1 20 . 1 1 77 77 VAL C C 77 174.964 174.964 173.646 1.318 19637 15781 1 20 . 1 1 77 77 VAL CA C 77 57.348 57.348 59.521 -2.173 19637 15782 1 20 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.479 -0.453 19637 15783 1 20 . 1 1 77 77 VAL H H 77 8.578 8.578 8.267 0.311 19637 15784 1 20 . 1 1 78 78 HIS N N 78 116.541 116.541 120.015 -3.474 19637 15785 1 20 . 1 1 78 78 HIS C C 78 173.634 173.634 171.995 1.639 19637 15786 1 20 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.684 -2.858 19637 15787 1 20 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.523 -1.576 19637 15788 1 20 . 1 1 78 78 HIS H H 78 7.822 7.822 8.089 -0.267 19637 15789 1 20 . 1 1 79 79 HIS N N 79 113.176 113.176 121.445 -8.269 19637 15790 1 20 . 1 1 79 79 HIS C C 79 173.841 173.841 173.632 0.209 19637 15791 1 20 . 1 1 79 79 HIS CA C 79 54.416 54.416 53.174 1.242 19637 15792 1 20 . 1 1 79 79 HIS CB C 79 34.026 34.026 33.535 0.491 19637 15793 1 20 . 1 1 79 79 HIS H H 79 7.912 7.912 7.699 0.213 19637 15794 1 20 . 1 1 80 80 LEU N N 80 118.153 118.153 121.816 -3.663 19637 15795 1 20 . 1 1 80 80 LEU C C 80 177.821 177.821 175.939 1.882 19637 15796 1 20 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.312 -1.153 19637 15797 1 20 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.575 3.688 19637 15798 1 20 . 1 1 80 80 LEU H H 80 8.205 8.205 8.333 -0.128 19637 15799 1 20 . 1 1 83 83 THR N N 83 115.326 115.326 119.375 -4.049 19637 15800 1 20 . 1 1 83 83 THR C C 83 171.362 171.362 173.529 -2.167 19637 15801 1 20 . 1 1 83 83 THR CA C 83 60.540 60.540 61.318 -0.778 19637 15802 1 20 . 1 1 83 83 THR CB C 83 72.068 72.068 71.642 0.426 19637 15803 1 20 . 1 1 83 83 THR H H 83 7.688 7.688 8.536 -0.848 19637 15804 1 20 . 1 1 84 84 LEU N N 84 129.848 129.848 127.642 2.206 19637 15805 1 20 . 1 1 84 84 LEU C C 84 174.373 174.373 175.465 -1.092 19637 15806 1 20 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.606 -2.185 19637 15807 1 20 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.264 0.492 19637 15808 1 20 . 1 1 84 84 LEU H H 84 9.013 9.013 8.799 0.214 19637 15809 1 20 . 1 1 85 85 MET N N 85 121.374 121.374 125.566 -4.192 19637 15810 1 20 . 1 1 85 85 MET C C 85 175.407 175.407 173.653 1.754 19637 15811 1 20 . 1 1 85 85 MET CA C 85 52.421 52.421 55.030 -2.609 19637 15812 1 20 . 1 1 85 85 MET CB C 85 34.558 34.558 35.480 -0.922 19637 15813 1 20 . 1 1 85 85 MET H H 85 9.823 9.823 9.014 0.809 19637 15814 1 20 . 1 1 86 86 ALA N N 86 123.689 123.689 129.572 -5.883 19637 15815 1 20 . 1 1 86 86 ALA C C 86 176.205 176.205 175.862 0.343 19637 15816 1 20 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.037 -1.232 19637 15817 1 20 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.831 -1.880 19637 15818 1 20 . 1 1 86 86 ALA H H 86 9.080 9.080 8.370 0.710 19637 15819 1 20 . 1 1 87 87 GLN N N 87 116.548 116.548 123.069 -6.521 19637 15820 1 20 . 1 1 87 87 GLN C C 87 175.495 175.495 173.670 1.825 19637 15821 1 20 . 1 1 87 87 GLN CA C 87 53.358 53.358 55.358 -2.000 19637 15822 1 20 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.814 1.478 19637 15823 1 20 . 1 1 87 87 GLN H H 87 9.061 9.061 8.737 0.324 19637 15824 1 20 . 1 1 88 88 TRP N N 88 119.609 119.609 116.683 2.926 19637 15825 1 20 . 1 1 88 88 TRP C C 88 174.727 174.727 173.647 1.080 19637 15826 1 20 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.363 -1.409 19637 15827 1 20 . 1 1 88 88 TRP CB C 88 30.479 30.479 31.135 -0.656 19637 15828 1 20 . 1 1 88 88 TRP H H 88 8.893 8.893 7.733 1.160 19637 15829 1 20 . 1 1 89 89 TYR N N 89 124.849 124.849 116.669 8.180 19637 15830 1 20 . 1 1 89 89 TYR C C 89 176.382 176.382 174.773 1.609 19637 15831 1 20 . 1 1 89 89 TYR CA C 89 55.042 55.042 55.726 -0.684 19637 15832 1 20 . 1 1 89 89 TYR H H 89 8.815 8.815 8.100 0.715 19637 15833 1 20 . 1 1 90 90 PHE N N 90 122.137 122.137 124.851 -2.714 19637 15834 1 20 . 1 1 90 90 PHE C C 90 176.304 176.304 176.468 -0.164 19637 15835 1 20 . 1 1 90 90 PHE CA C 90 57.821 57.821 60.661 -2.840 19637 15836 1 20 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.438 -0.978 19637 15837 1 20 . 1 1 90 90 PHE H H 90 9.171 9.171 8.954 0.217 19637 15838 1 20 . 1 1 91 91 GLY N N 91 108.961 108.961 106.966 1.995 19637 15839 1 20 . 1 1 91 91 GLY C C 91 172.748 172.748 172.925 -0.177 19637 15840 1 20 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.065 -0.734 19637 15841 1 20 . 1 1 91 91 GLY H H 91 9.342 9.342 8.230 1.112 19637 15842 1 20 . 1 1 92 92 ASP N N 92 119.869 119.869 123.500 -3.631 19637 15843 1 20 . 1 1 92 92 ASP C C 92 175.968 175.968 175.090 0.878 19637 15844 1 20 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.467 -2.845 19637 15845 1 20 . 1 1 92 92 ASP CB C 92 41.563 41.563 42.132 -0.569 19637 15846 1 20 . 1 1 92 92 ASP H H 92 8.612 8.612 8.263 0.349 19637 15847 1 20 . 1 1 93 93 ALA N N 93 117.665 117.665 128.066 -10.401 19637 15848 1 20 . 1 1 93 93 ALA C C 93 178.748 178.748 175.919 2.829 19637 15849 1 20 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.821 0.359 19637 15850 1 20 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.131 -2.220 19637 15851 1 20 . 1 1 93 93 ALA H H 93 8.673 8.673 8.230 0.443 19637 15852 1 20 . 1 1 94 94 SER N N 94 115.062 115.062 113.414 1.648 19637 15853 1 20 . 1 1 94 94 SER C C 94 175.348 175.348 173.898 1.450 19637 15854 1 20 . 1 1 94 94 SER CA C 94 58.185 58.185 58.883 -0.697 19637 15855 1 20 . 1 1 94 94 SER CB C 94 62.757 62.757 63.462 -0.705 19637 15856 1 20 . 1 1 94 94 SER H H 94 8.902 8.902 8.182 0.720 19637 15857 1 20 . 1 1 95 95 SER N N 95 120.754 120.754 115.368 5.386 19637 15858 1 20 . 1 1 95 95 SER CA C 95 58.451 58.451 59.340 -0.889 19637 15859 1 20 . 1 1 95 95 SER CB C 95 62.580 62.580 62.732 -0.152 19637 15860 1 20 . 1 1 95 95 SER H H 95 7.922 7.922 8.609 -0.687 19637 15861 1 20 . 1 1 96 96 LYS N N 96 120.924 120.924 118.786 2.138 19637 15862 1 20 . 1 1 96 96 LYS CA C 96 54.599 54.599 56.724 -2.126 19637 15863 1 20 . 1 1 96 96 LYS CB C 96 31.366 31.366 33.267 -1.901 19637 15864 1 20 . 1 1 96 96 LYS H H 96 8.555 8.555 7.671 0.884 19637 15865 1 20 . 1 1 97 97 PHE N N 97 117.773 117.773 117.835 -0.062 19637 15866 1 20 . 1 1 97 97 PHE CA C 97 54.688 54.688 55.577 -0.888 19637 15867 1 20 . 1 1 97 97 PHE CB C 97 40.322 40.322 41.243 -0.921 19637 15868 1 20 . 1 1 97 97 PHE H H 97 7.596 7.596 7.880 -0.284 19637 15869 1 20 . 1 1 98 98 ARG N N 98 120.982 120.982 119.461 1.521 19637 15870 1 20 . 1 1 98 98 ARG C C 98 173.047 173.047 173.766 -0.719 19637 15871 1 20 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.058 -0.587 19637 15872 1 20 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.586 0.046 19637 15873 1 20 . 1 1 98 98 ARG H H 98 8.823 8.823 8.862 -0.039 19637 15874 1 20 . 1 1 100 100 TYR N N 100 117.775 117.775 115.782 1.993 19637 15875 1 20 . 1 1 100 100 TYR C C 100 173.047 173.047 173.405 -0.358 19637 15876 1 20 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.682 -2.728 19637 15877 1 20 . 1 1 100 100 TYR CB C 100 39.524 39.524 41.457 -1.933 19637 15878 1 20 . 1 1 100 100 TYR H H 100 8.885 8.885 8.405 0.480 19637 15879 1 20 . 1 1 101 101 VAL N N 101 111.744 111.744 126.432 -14.688 19637 15880 1 20 . 1 1 101 101 VAL C C 101 173.457 173.457 173.842 -0.385 19637 15881 1 20 . 1 1 101 101 VAL CA C 101 57.105 57.105 59.313 -2.208 19637 15882 1 20 . 1 1 101 101 VAL CB C 101 34.381 34.381 35.154 -0.773 19637 15883 1 20 . 1 1 101 101 VAL H H 101 8.365 8.365 8.084 0.281 19637 15884 1 20 . 1 1 102 102 GLY N N 102 108.300 108.300 113.763 -5.463 19637 15885 1 20 . 1 1 102 102 GLY C C 102 171.241 171.241 171.904 -0.663 19637 15886 1 20 . 1 1 102 102 GLY CA C 102 44.972 44.972 43.798 1.173 19637 15887 1 20 . 1 1 102 102 GLY H H 102 8.271 8.271 8.760 -0.489 19637 15888 1 20 . 1 1 103 103 ALA N N 103 120.836 120.836 123.473 -2.637 19637 15889 1 20 . 1 1 103 103 ALA C C 103 175.614 175.614 175.784 -0.170 19637 15890 1 20 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.472 -1.639 19637 15891 1 20 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.459 0.259 19637 15892 1 20 . 1 1 103 103 ALA H H 103 9.048 9.048 8.205 0.843 19637 15893 1 20 . 1 1 104 104 GLY N N 104 107.477 107.477 110.359 -2.882 19637 15894 1 20 . 1 1 104 104 GLY C C 104 171.832 171.832 172.332 -0.500 19637 15895 1 20 . 1 1 104 104 GLY CA C 104 46.479 46.479 45.430 1.049 19637 15896 1 20 . 1 1 104 104 GLY H H 104 8.661 8.661 8.949 -0.288 19637 15897 1 20 . 1 1 105 105 ILE N N 105 118.575 118.575 119.941 -1.366 19637 15898 1 20 . 1 1 105 105 ILE C C 105 172.275 172.275 174.317 -2.042 19637 15899 1 20 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.157 -2.809 19637 15900 1 20 . 1 1 105 105 ILE CB C 105 41.652 41.652 40.473 1.179 19637 15901 1 20 . 1 1 105 105 ILE H H 105 9.020 9.020 8.139 0.881 19637 15902 1 20 . 1 1 106 106 ASN N N 106 123.879 123.879 125.431 -1.552 19637 15903 1 20 . 1 1 106 106 ASN C C 106 171.418 171.418 173.879 -2.461 19637 15904 1 20 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.587 -0.003 19637 15905 1 20 . 1 1 106 106 ASN CB C 106 40.854 40.854 39.757 1.097 19637 15906 1 20 . 1 1 106 106 ASN H H 106 9.659 9.659 8.496 1.163 19637 15907 1 20 . 1 1 107 107 TYR N N 107 125.744 125.744 126.341 -0.597 19637 15908 1 20 . 1 1 107 107 TYR C C 107 173.073 173.073 174.846 -1.773 19637 15909 1 20 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.402 -2.898 19637 15910 1 20 . 1 1 107 107 TYR CB C 107 40.854 40.854 38.555 2.299 19637 15911 1 20 . 1 1 107 107 TYR H H 107 8.273 8.273 8.499 -0.226 19637 15912 1 20 . 1 1 108 108 THR N N 108 119.337 119.337 120.763 -1.426 19637 15913 1 20 . 1 1 108 108 THR C C 108 172.457 172.457 173.256 -0.799 19637 15914 1 20 . 1 1 108 108 THR CA C 108 60.452 60.452 60.659 -0.207 19637 15915 1 20 . 1 1 108 108 THR CB C 108 69.319 69.319 71.165 -1.846 19637 15916 1 20 . 1 1 108 108 THR H H 108 8.446 8.446 8.632 -0.186 19637 15917 1 20 . 1 1 109 109 THR N N 109 118.655 118.655 116.212 2.443 19637 15918 1 20 . 1 1 109 109 THR C C 109 171.625 171.625 174.748 -3.123 19637 15919 1 20 . 1 1 109 109 THR CA C 109 56.810 56.810 60.212 -3.402 19637 15920 1 20 . 1 1 109 109 THR H H 109 7.548 7.548 7.682 -0.134 19637 15921 1 20 . 1 1 112 112 ASP N N 112 116.796 116.796 120.742 -3.946 19637 15922 1 20 . 1 1 112 112 ASP C C 112 175.490 175.490 174.806 0.684 19637 15923 1 20 . 1 1 112 112 ASP CA C 112 53.884 53.884 53.443 0.441 19637 15924 1 20 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.029 -4.367 19637 15925 1 20 . 1 1 112 112 ASP H H 112 8.995 8.995 8.484 0.511 19637 15926 1 20 . 1 1 113 113 ASN N N 113 117.801 117.801 115.719 2.082 19637 15927 1 20 . 1 1 113 113 ASN C C 113 175.702 175.702 173.905 1.797 19637 15928 1 20 . 1 1 113 113 ASN CA C 113 50.736 50.736 54.107 -3.371 19637 15929 1 20 . 1 1 113 113 ASN CB C 113 39.348 39.348 39.088 0.260 19637 15930 1 20 . 1 1 113 113 ASN H H 113 8.410 8.410 7.886 0.524 19637 15931 1 20 . 1 1 114 114 GLY N N 114 107.744 107.744 106.600 1.144 19637 15932 1 20 . 1 1 114 114 GLY C C 114 171.979 171.979 173.534 -1.555 19637 15933 1 20 . 1 1 114 114 GLY CA C 114 44.794 44.794 44.149 0.645 19637 15934 1 20 . 1 1 114 114 GLY H H 114 8.557 8.557 8.070 0.487 19637 15935 1 20 . 1 1 115 115 PHE N N 115 119.554 119.554 117.817 1.737 19637 15936 1 20 . 1 1 115 115 PHE C C 115 176.192 176.192 173.864 2.328 19637 15937 1 20 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.345 -0.855 19637 15938 1 20 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.297 0.784 19637 15939 1 20 . 1 1 115 115 PHE H H 115 8.607 8.607 8.298 0.309 19637 15940 1 20 . 1 1 116 116 ASN N N 116 120.356 120.356 122.983 -2.627 19637 15941 1 20 . 1 1 116 116 ASN C C 116 175.407 175.407 175.483 -0.076 19637 15942 1 20 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.440 -2.369 19637 15943 1 20 . 1 1 116 116 ASN CB C 116 37.041 37.041 39.190 -2.149 19637 15944 1 20 . 1 1 116 116 ASN H H 116 8.240 8.240 7.830 0.410 19637 15945 1 20 . 1 1 117 117 ASP N N 117 117.610 117.610 120.543 -2.933 19637 15946 1 20 . 1 1 117 117 ASP C C 117 178.298 178.298 177.719 0.579 19637 15947 1 20 . 1 1 117 117 ASP CA C 117 57.348 57.348 57.471 -0.123 19637 15948 1 20 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.331 -1.783 19637 15949 1 20 . 1 1 117 117 ASP H H 117 8.460 8.460 8.699 -0.239 19637 15950 1 20 . 1 1 118 118 HIS N N 118 118.493 118.493 117.327 1.166 19637 15951 1 20 . 1 1 118 118 HIS C C 118 177.821 177.821 177.484 0.337 19637 15952 1 20 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.277 -1.511 19637 15953 1 20 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.364 -2.637 19637 15954 1 20 . 1 1 118 118 HIS H H 118 8.185 8.185 8.054 0.131 19637 15955 1 20 . 1 1 119 119 GLY N N 119 107.937 107.937 108.436 -0.499 19637 15956 1 20 . 1 1 119 119 GLY C C 119 175.082 175.082 175.939 -0.857 19637 15957 1 20 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.960 -0.348 19637 15958 1 20 . 1 1 119 119 GLY H H 119 8.788 8.788 8.253 0.535 19637 15959 1 20 . 1 1 120 120 LYS N N 120 122.898 122.898 121.697 1.201 19637 15960 1 20 . 1 1 120 120 LYS C C 120 181.612 181.612 179.529 2.083 19637 15961 1 20 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.581 -0.864 19637 15962 1 20 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.402 -1.746 19637 15963 1 20 . 1 1 120 120 LYS H H 120 8.890 8.890 8.554 0.336 19637 15964 1 20 . 1 1 121 121 GLU N N 121 120.995 120.995 119.473 1.522 19637 15965 1 20 . 1 1 121 121 GLU C C 121 177.327 177.327 177.445 -0.118 19637 15966 1 20 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.543 -0.890 19637 15967 1 20 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.544 -1.814 19637 15968 1 20 . 1 1 121 121 GLU H H 121 8.234 8.234 7.841 0.393 19637 15969 1 20 . 1 1 122 122 ALA N N 122 119.811 119.811 119.187 0.624 19637 15970 1 20 . 1 1 122 122 ALA C C 122 176.500 176.500 177.734 -1.234 19637 15971 1 20 . 1 1 122 122 ALA CA C 122 51.042 51.042 52.391 -1.349 19637 15972 1 20 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.365 -2.655 19637 15973 1 20 . 1 1 122 122 ALA H H 122 7.259 7.259 7.855 -0.596 19637 15974 1 20 . 1 1 123 123 GLY N N 123 103.863 103.863 105.620 -1.757 19637 15975 1 20 . 1 1 123 123 GLY C C 123 175.082 175.082 173.742 1.340 19637 15976 1 20 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.098 -0.834 19637 15977 1 20 . 1 1 123 123 GLY H H 123 7.745 7.745 7.897 -0.152 19637 15978 1 20 . 1 1 124 124 LEU N N 124 123.722 123.722 119.425 4.297 19637 15979 1 20 . 1 1 124 124 LEU C C 124 176.293 176.293 174.096 2.197 19637 15980 1 20 . 1 1 124 124 LEU CA C 124 53.269 53.269 55.502 -2.233 19637 15981 1 20 . 1 1 124 124 LEU CB C 124 38.016 38.016 44.520 -6.504 19637 15982 1 20 . 1 1 124 124 LEU H H 124 7.461 7.461 7.847 -0.386 19637 15983 1 20 . 1 1 125 125 SER N N 125 114.112 114.112 112.968 1.144 19637 15984 1 20 . 1 1 125 125 SER C C 125 173.250 173.250 172.336 0.914 19637 15985 1 20 . 1 1 125 125 SER CA C 125 57.259 57.259 58.945 -1.686 19637 15986 1 20 . 1 1 125 125 SER CB C 125 65.684 65.684 64.393 1.291 19637 15987 1 20 . 1 1 125 125 SER H H 125 8.809 8.809 8.064 0.745 19637 15988 1 20 . 1 1 126 126 ASP N N 126 117.817 117.817 124.519 -6.702 19637 15989 1 20 . 1 1 126 126 ASP C C 126 174.107 174.107 176.772 -2.665 19637 15990 1 20 . 1 1 126 126 ASP CA C 126 54.593 54.593 53.415 1.178 19637 15991 1 20 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.865 -2.139 19637 15992 1 20 . 1 1 126 126 ASP H H 126 9.035 9.035 8.880 0.155 19637 15993 1 20 . 1 1 127 127 LEU N N 127 120.160 120.160 119.737 0.423 19637 15994 1 20 . 1 1 127 127 LEU C C 127 176.726 176.726 176.580 0.146 19637 15995 1 20 . 1 1 127 127 LEU CA C 127 54.371 54.371 57.006 -2.635 19637 15996 1 20 . 1 1 127 127 LEU CB C 127 40.322 40.322 41.702 -1.379 19637 15997 1 20 . 1 1 127 127 LEU H H 127 8.109 8.109 8.411 -0.302 19637 15998 1 20 . 1 1 128 128 SER N N 128 120.909 120.909 112.731 8.178 19637 15999 1 20 . 1 1 128 128 SER C C 128 172.038 172.038 173.299 -1.261 19637 16000 1 20 . 1 1 128 128 SER CA C 128 57.120 57.120 61.147 -4.027 19637 16001 1 20 . 1 1 128 128 SER CB C 128 64.353 64.353 62.822 1.531 19637 16002 1 20 . 1 1 128 128 SER H H 128 9.499 9.499 8.486 1.013 19637 16003 1 20 . 1 1 129 129 LEU N N 129 122.260 122.260 122.475 -0.215 19637 16004 1 20 . 1 1 129 129 LEU C C 129 176.411 176.411 176.843 -0.432 19637 16005 1 20 . 1 1 129 129 LEU CA C 129 53.839 53.839 53.823 0.016 19637 16006 1 20 . 1 1 129 129 LEU CB C 129 42.539 42.539 42.889 -0.350 19637 16007 1 20 . 1 1 129 129 LEU H H 129 8.182 8.182 8.138 0.044 19637 16008 1 20 . 1 1 130 130 LYS N N 130 122.490 122.490 124.963 -2.473 19637 16009 1 20 . 1 1 130 130 LYS C C 130 176.754 176.754 176.322 0.432 19637 16010 1 20 . 1 1 130 130 LYS CA C 130 55.042 55.042 54.618 0.423 19637 16011 1 20 . 1 1 130 130 LYS CB C 130 32.518 32.518 34.121 -1.603 19637 16012 1 20 . 1 1 130 130 LYS H H 130 7.536 7.536 8.612 -1.076 19637 16013 1 20 . 1 1 131 131 ASP N N 131 123.217 123.217 120.706 2.511 19637 16014 1 20 . 1 1 131 131 ASP C C 131 175.998 175.998 176.244 -0.246 19637 16015 1 20 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.715 -1.255 19637 16016 1 20 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.922 -0.689 19637 16017 1 20 . 1 1 131 131 ASP H H 131 8.782 8.782 8.625 0.157 19637 16018 1 20 . 1 1 132 132 SER N N 132 115.445 115.445 119.761 -4.316 19637 16019 1 20 . 1 1 132 132 SER C C 132 171.920 171.920 173.360 -1.440 19637 16020 1 20 . 1 1 132 132 SER CA C 132 55.790 55.790 57.401 -1.611 19637 16021 1 20 . 1 1 132 132 SER CB C 132 64.087 64.087 63.738 0.349 19637 16022 1 20 . 1 1 132 132 SER H H 132 9.016 9.016 8.605 0.411 19637 16023 1 20 . 1 1 133 133 TRP N N 133 124.389 124.389 123.901 0.488 19637 16024 1 20 . 1 1 133 133 TRP C C 133 178.243 178.243 175.190 3.053 19637 16025 1 20 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.587 0.722 19637 16026 1 20 . 1 1 133 133 TRP CB C 133 31.401 31.401 30.404 0.997 19637 16027 1 20 . 1 1 133 133 TRP H H 133 7.896 7.896 7.866 0.030 19637 16028 1 20 . 1 1 134 134 GLY N N 134 107.658 107.658 110.596 -2.938 19637 16029 1 20 . 1 1 134 134 GLY C C 134 171.123 171.123 172.029 -0.906 19637 16030 1 20 . 1 1 134 134 GLY CA C 134 44.750 44.750 45.143 -0.393 19637 16031 1 20 . 1 1 134 134 GLY H H 134 8.896 8.896 8.445 0.451 19637 16032 1 20 . 1 1 135 135 ALA N N 135 122.244 122.244 122.096 0.148 19637 16033 1 20 . 1 1 135 135 ALA C C 135 174.875 174.875 175.398 -0.523 19637 16034 1 20 . 1 1 135 135 ALA CA C 135 51.141 51.141 50.518 0.623 19637 16035 1 20 . 1 1 135 135 ALA CB C 135 19.306 19.306 21.154 -1.848 19637 16036 1 20 . 1 1 135 135 ALA H H 135 8.946 8.946 8.362 0.584 19637 16037 1 20 . 1 1 136 136 ALA N N 136 118.579 118.579 121.740 -3.161 19637 16038 1 20 . 1 1 136 136 ALA C C 136 175.434 175.434 175.494 -0.060 19637 16039 1 20 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.568 -2.074 19637 16040 1 20 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.829 1.378 19637 16041 1 20 . 1 1 136 136 ALA H H 136 8.111 8.111 8.055 0.056 19637 16042 1 20 . 1 1 137 137 GLY N N 137 105.005 105.005 108.790 -3.785 19637 16043 1 20 . 1 1 137 137 GLY C C 137 171.300 171.300 172.326 -1.026 19637 16044 1 20 . 1 1 137 137 GLY CA C 137 43.182 43.182 45.482 -2.300 19637 16045 1 20 . 1 1 137 137 GLY H H 137 8.933 8.933 8.086 0.847 19637 16046 1 20 . 1 1 138 138 GLN N N 138 115.695 115.695 118.180 -2.485 19637 16047 1 20 . 1 1 138 138 GLN CA C 138 53.263 53.263 55.667 -2.404 19637 16048 1 20 . 1 1 138 138 GLN H H 138 8.559 8.559 8.214 0.345 19637 16049 1 20 . 1 1 140 140 GLY N N 140 110.307 110.307 115.857 -5.550 19637 16050 1 20 . 1 1 140 140 GLY C C 140 171.329 171.329 172.524 -1.195 19637 16051 1 20 . 1 1 140 140 GLY CA C 140 44.617 44.617 43.736 0.881 19637 16052 1 20 . 1 1 140 140 GLY H H 140 7.936 7.936 8.775 -0.839 19637 16053 1 20 . 1 1 141 141 VAL N N 141 112.233 112.233 116.221 -3.988 19637 16054 1 20 . 1 1 141 141 VAL C C 141 171.979 171.979 174.045 -2.066 19637 16055 1 20 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.646 -0.732 19637 16056 1 20 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.218 -1.281 19637 16057 1 20 . 1 1 141 141 VAL H H 141 8.646 8.646 8.669 -0.023 19637 16058 1 20 . 1 1 142 142 ASP N N 142 122.520 122.520 121.680 0.840 19637 16059 1 20 . 1 1 142 142 ASP C C 142 175.259 175.259 173.811 1.448 19637 16060 1 20 . 1 1 142 142 ASP CA C 142 51.711 51.711 53.093 -1.382 19637 16061 1 20 . 1 1 142 142 ASP CB C 142 43.780 43.780 45.034 -1.254 19637 16062 1 20 . 1 1 142 142 ASP H H 142 7.402 7.402 9.236 -1.834 19637 16063 1 20 . 1 1 143 143 TYR N N 143 122.331 122.331 126.156 -3.825 19637 16064 1 20 . 1 1 143 143 TYR C C 143 173.870 173.870 174.342 -0.472 19637 16065 1 20 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.349 -1.401 19637 16066 1 20 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.427 -0.662 19637 16067 1 20 . 1 1 143 143 TYR H H 143 9.396 9.396 8.030 1.366 19637 16068 1 20 . 1 1 144 144 LEU N N 144 130.341 130.341 126.306 4.035 19637 16069 1 20 . 1 1 144 144 LEU C C 144 174.786 174.786 176.208 -1.422 19637 16070 1 20 . 1 1 144 144 LEU CA C 144 55.524 55.524 54.910 0.614 19637 16071 1 20 . 1 1 144 144 LEU CB C 144 40.677 40.677 40.431 0.246 19637 16072 1 20 . 1 1 144 144 LEU H H 144 8.313 8.313 7.895 0.418 19637 16073 1 20 . 1 1 145 145 ILE N N 145 124.602 124.602 123.268 1.334 19637 16074 1 20 . 1 1 145 145 ILE C C 145 177.593 177.593 175.761 1.832 19637 16075 1 20 . 1 1 145 145 ILE CA C 145 60.097 60.097 63.572 -3.475 19637 16076 1 20 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.331 -1.467 19637 16077 1 20 . 1 1 145 145 ILE H H 145 8.809 8.809 8.208 0.601 19637 16078 1 20 . 1 1 146 146 ASN N N 146 118.348 118.348 116.349 1.999 19637 16079 1 20 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.371 -1.053 19637 16080 1 20 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.899 -2.947 19637 16081 1 20 . 1 1 146 146 ASN H H 146 8.362 8.362 8.317 0.045 19637 16082 1 20 . 1 1 147 147 ARG N N 147 113.940 113.940 119.515 -5.575 19637 16083 1 20 . 1 1 147 147 ARG C C 147 176.470 176.470 175.818 0.652 19637 16084 1 20 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.461 0.123 19637 16085 1 20 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.690 -1.985 19637 16086 1 20 . 1 1 147 147 ARG H H 147 8.072 8.072 8.780 -0.708 19637 16087 1 20 . 1 1 148 148 ASP N N 148 112.938 112.938 116.289 -3.351 19637 16088 1 20 . 1 1 148 148 ASP C C 148 174.373 174.373 174.577 -0.204 19637 16089 1 20 . 1 1 148 148 ASP CA C 148 54.327 54.327 53.631 0.696 19637 16090 1 20 . 1 1 148 148 ASP CB C 148 42.628 42.628 41.343 1.285 19637 16091 1 20 . 1 1 148 148 ASP H H 148 7.668 7.668 8.572 -0.904 19637 16092 1 20 . 1 1 149 149 TRP N N 149 116.148 116.148 118.720 -2.572 19637 16093 1 20 . 1 1 149 149 TRP C C 149 175.574 175.574 174.960 0.614 19637 16094 1 20 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.853 -0.367 19637 16095 1 20 . 1 1 149 149 TRP CB C 149 31.720 31.720 31.876 -0.156 19637 16096 1 20 . 1 1 149 149 TRP H H 149 7.788 7.788 7.773 0.015 19637 16097 1 20 . 1 1 150 150 LEU N N 150 118.106 118.106 121.682 -3.576 19637 16098 1 20 . 1 1 150 150 LEU C C 150 175.141 175.141 176.018 -0.877 19637 16099 1 20 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.278 -1.123 19637 16100 1 20 . 1 1 150 150 LEU CB C 150 44.401 44.401 45.623 -1.222 19637 16101 1 20 . 1 1 150 150 LEU H H 150 9.306 9.306 8.694 0.612 19637 16102 1 20 . 1 1 151 151 VAL N N 151 115.211 115.211 119.253 -4.042 19637 16103 1 20 . 1 1 151 151 VAL C C 151 173.524 173.524 173.824 -0.300 19637 16104 1 20 . 1 1 151 151 VAL CA C 151 59.299 59.299 62.546 -3.247 19637 16105 1 20 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.575 -0.726 19637 16106 1 20 . 1 1 151 151 VAL H H 151 9.293 9.293 8.553 0.740 19637 16107 1 20 . 1 1 152 152 ASN N N 152 124.526 124.526 126.278 -1.752 19637 16108 1 20 . 1 1 152 152 ASN CA C 152 51.755 51.755 53.368 -1.613 19637 16109 1 20 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.119 0.509 19637 16110 1 20 . 1 1 152 152 ASN H H 152 8.893 8.893 8.933 -0.040 19637 16111 1 20 . 1 1 153 153 MET N N 153 118.533 118.533 115.389 3.144 19637 16112 1 20 . 1 1 153 153 MET C C 153 173.987 173.987 173.745 0.242 19637 16113 1 20 . 1 1 153 153 MET CA C 153 54.017 54.017 55.356 -1.339 19637 16114 1 20 . 1 1 153 153 MET CB C 153 36.243 36.243 36.428 -0.186 19637 16115 1 20 . 1 1 153 153 MET H H 153 8.003 8.003 8.261 -0.258 19637 16116 1 20 . 1 1 154 154 SER N N 154 113.225 113.225 114.989 -1.764 19637 16117 1 20 . 1 1 154 154 SER C C 154 172.120 172.120 173.857 -1.737 19637 16118 1 20 . 1 1 154 154 SER CA C 154 56.550 56.550 56.823 -0.273 19637 16119 1 20 . 1 1 154 154 SER CB C 154 64.619 64.619 65.711 -1.092 19637 16120 1 20 . 1 1 154 154 SER H H 154 9.191 9.191 8.612 0.579 19637 16121 1 20 . 1 1 155 155 VAL N N 155 119.543 119.543 116.404 3.139 19637 16122 1 20 . 1 1 155 155 VAL C C 155 173.973 173.973 174.413 -0.440 19637 16123 1 20 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.203 -0.821 19637 16124 1 20 . 1 1 155 155 VAL H H 155 9.190 9.190 8.171 1.019 19637 16125 1 20 . 1 1 156 156 TRP N N 156 124.596 124.596 118.549 6.047 19637 16126 1 20 . 1 1 156 156 TRP C C 156 175.237 175.237 174.285 0.952 19637 16127 1 20 . 1 1 156 156 TRP CA C 156 53.263 53.263 55.451 -2.188 19637 16128 1 20 . 1 1 156 156 TRP CB C 156 33.228 33.228 30.139 3.089 19637 16129 1 20 . 1 1 156 156 TRP H H 156 9.883 9.883 7.358 2.525 19637 16130 1 20 . 1 1 160 160 ILE N N 160 123.211 123.211 118.658 4.553 19637 16131 1 20 . 1 1 160 160 ILE C C 160 173.545 173.545 173.196 0.349 19637 16132 1 20 . 1 1 160 160 ILE CA C 160 60.269 60.269 59.682 0.587 19637 16133 1 20 . 1 1 160 160 ILE H H 160 7.948 7.948 7.419 0.529 19637 16134 1 20 . 1 1 161 161 ASP N N 161 128.357 128.357 124.999 3.358 19637 16135 1 20 . 1 1 161 161 ASP CA C 161 52.421 52.421 54.723 -2.302 19637 16136 1 20 . 1 1 161 161 ASP CB C 161 41.830 41.830 41.597 0.233 19637 16137 1 20 . 1 1 161 161 ASP H H 161 8.302 8.302 8.391 -0.089 19637 16138 1 20 . 1 1 162 162 THR N N 162 117.472 117.472 122.251 -4.779 19637 16139 1 20 . 1 1 162 162 THR CA C 162 57.259 57.259 61.221 -3.962 19637 16140 1 20 . 1 1 162 162 THR CB C 162 68.167 68.167 71.114 -2.947 19637 16141 1 20 . 1 1 162 162 THR H H 162 8.788 8.788 8.865 -0.077 19637 16142 1 20 . 1 1 163 163 THR N N 163 120.189 120.189 125.145 -4.956 19637 16143 1 20 . 1 1 163 163 THR CA C 163 60.629 60.629 62.454 -1.825 19637 16144 1 20 . 1 1 163 163 THR CB C 163 68.278 68.278 70.234 -1.956 19637 16145 1 20 . 1 1 163 163 THR H H 163 8.429 8.429 8.922 -0.493 19637 16146 1 20 . 1 1 164 164 ALA N N 164 127.991 127.991 129.074 -1.083 19637 16147 1 20 . 1 1 164 164 ALA C C 164 174.993 174.993 175.246 -0.253 19637 16148 1 20 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.038 -0.848 19637 16149 1 20 . 1 1 164 164 ALA CB C 164 18.951 18.951 22.526 -3.575 19637 16150 1 20 . 1 1 164 164 ALA H H 164 9.428 9.428 8.521 0.907 19637 16151 1 20 . 1 1 165 165 ASN N N 165 122.214 122.214 119.173 3.041 19637 16152 1 20 . 1 1 165 165 ASN C C 165 173.047 173.047 173.229 -0.182 19637 16153 1 20 . 1 1 165 165 ASN CA C 165 51.141 51.141 53.117 -1.976 19637 16154 1 20 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.337 -0.281 19637 16155 1 20 . 1 1 165 165 ASN H H 165 9.216 9.216 8.919 0.297 19637 16156 1 20 . 1 1 166 166 TYR N N 166 116.330 116.330 116.166 0.164 19637 16157 1 20 . 1 1 166 166 TYR C C 166 172.260 172.260 173.461 -1.201 19637 16158 1 20 . 1 1 166 166 TYR CA C 166 55.397 55.397 55.877 -0.480 19637 16159 1 20 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.310 -2.648 19637 16160 1 20 . 1 1 166 166 TYR H H 166 7.816 7.816 8.169 -0.353 19637 16161 1 20 . 1 1 167 167 LYS N N 167 117.734 117.734 125.610 -7.876 19637 16162 1 20 . 1 1 167 167 LYS C C 167 174.760 174.760 174.341 0.419 19637 16163 1 20 . 1 1 167 167 LYS CA C 167 53.751 53.751 54.828 -1.077 19637 16164 1 20 . 1 1 167 167 LYS CB C 167 34.381 34.381 33.897 0.484 19637 16165 1 20 . 1 1 167 167 LYS H H 167 9.100 9.100 8.630 0.470 19637 16166 1 20 . 1 1 168 168 LEU N N 168 121.623 121.623 126.330 -4.707 19637 16167 1 20 . 1 1 168 168 LEU C C 168 177.877 177.877 177.330 0.547 19637 16168 1 20 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.010 -1.501 19637 16169 1 20 . 1 1 168 168 LEU CB C 168 42.894 42.894 43.669 -0.775 19637 16170 1 20 . 1 1 168 168 LEU H H 168 8.372 8.372 8.619 -0.247 19637 16171 1 20 . 1 1 169 169 GLY N N 169 119.264 119.264 113.071 6.193 19637 16172 1 20 . 1 1 169 169 GLY C C 169 175.602 175.602 175.199 0.403 19637 16173 1 20 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.005 1.252 19637 16174 1 20 . 1 1 169 169 GLY H H 169 9.603 9.603 8.891 0.712 19637 16175 1 20 . 1 1 170 170 GLY N N 170 104.659 104.659 103.665 0.994 19637 16176 1 20 . 1 1 170 170 GLY C C 170 172.570 172.570 174.396 -1.826 19637 16177 1 20 . 1 1 170 170 GLY CA C 170 44.040 44.040 44.520 -0.480 19637 16178 1 20 . 1 1 170 170 GLY H H 170 8.381 8.381 8.086 0.295 19637 16179 1 20 . 1 1 171 171 ALA N N 171 123.570 123.570 121.215 2.355 19637 16180 1 20 . 1 1 171 171 ALA C C 171 177.569 177.569 177.283 0.286 19637 16181 1 20 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.213 -1.320 19637 16182 1 20 . 1 1 171 171 ALA CB C 171 18.330 18.330 19.830 -1.500 19637 16183 1 20 . 1 1 171 171 ALA H H 171 7.650 7.650 7.218 0.432 19637 16184 1 20 . 1 1 172 172 GLN N N 172 124.057 124.057 120.372 3.685 19637 16185 1 20 . 1 1 172 172 GLN C C 172 174.869 174.869 175.475 -0.606 19637 16186 1 20 . 1 1 172 172 GLN CA C 172 56.018 56.018 54.905 1.113 19637 16187 1 20 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.004 0.169 19637 16188 1 20 . 1 1 172 172 GLN H H 172 8.840 8.840 8.490 0.350 19637 16189 1 20 . 1 1 173 173 GLN N N 173 124.328 124.328 122.903 1.425 19637 16190 1 20 . 1 1 173 173 GLN C C 173 174.953 174.953 175.339 -0.386 19637 16191 1 20 . 1 1 173 173 GLN CA C 173 52.155 52.155 54.984 -2.829 19637 16192 1 20 . 1 1 173 173 GLN CB C 173 29.415 29.415 29.188 0.227 19637 16193 1 20 . 1 1 173 173 GLN H H 173 9.023 9.023 7.952 1.071 19637 16194 1 20 . 1 1 174 174 HIS N N 174 115.629 115.629 118.048 -2.419 19637 16195 1 20 . 1 1 174 174 HIS C C 174 173.103 173.103 174.093 -0.990 19637 16196 1 20 . 1 1 174 174 HIS CA C 174 53.446 53.446 55.530 -2.084 19637 16197 1 20 . 1 1 174 174 HIS CB C 174 29.681 29.681 30.751 -1.070 19637 16198 1 20 . 1 1 174 174 HIS H H 174 8.227 8.227 8.290 -0.063 19637 16199 1 20 . 1 1 175 175 ASP N N 175 120.615 120.615 116.778 3.837 19637 16200 1 20 . 1 1 175 175 ASP C C 175 175.013 175.013 175.476 -0.463 19637 16201 1 20 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.300 -0.569 19637 16202 1 20 . 1 1 175 175 ASP CB C 175 45.111 45.111 43.912 1.199 19637 16203 1 20 . 1 1 175 175 ASP H H 175 8.964 8.964 8.391 0.573 19637 16204 1 20 . 1 1 176 176 SER N N 176 118.175 118.175 115.549 2.626 19637 16205 1 20 . 1 1 176 176 SER C C 176 173.496 173.496 174.019 -0.523 19637 16206 1 20 . 1 1 176 176 SER CA C 176 57.697 57.697 59.192 -1.495 19637 16207 1 20 . 1 1 176 176 SER CB C 176 62.757 62.757 63.556 -0.799 19637 16208 1 20 . 1 1 176 176 SER H H 176 9.137 9.137 8.462 0.675 19637 16209 1 20 . 1 1 177 177 VAL N N 177 123.737 123.737 123.889 -0.152 19637 16210 1 20 . 1 1 177 177 VAL C C 177 173.398 173.398 174.208 -0.810 19637 16211 1 20 . 1 1 177 177 VAL CA C 177 60.277 60.277 60.672 -0.395 19637 16212 1 20 . 1 1 177 177 VAL CB C 177 32.518 32.518 35.988 -3.470 19637 16213 1 20 . 1 1 177 177 VAL H H 177 8.492 8.492 8.491 0.001 19637 16214 1 20 . 1 1 178 178 ARG N N 178 127.628 127.628 124.802 2.826 19637 16215 1 20 . 1 1 178 178 ARG C C 178 175.097 175.097 174.749 0.348 19637 16216 1 20 . 1 1 178 178 ARG CA C 178 54.017 54.017 55.826 -1.809 19637 16217 1 20 . 1 1 178 178 ARG CB C 178 29.149 29.149 29.652 -0.503 19637 16218 1 20 . 1 1 178 178 ARG H H 178 8.513 8.513 8.633 -0.120 19637 16219 1 20 . 1 1 182 182 TRP N N 182 115.616 115.616 119.139 -3.523 19637 16220 1 20 . 1 1 182 182 TRP C C 182 176.613 176.613 174.754 1.859 19637 16221 1 20 . 1 1 182 182 TRP CA C 182 55.228 55.228 54.627 0.601 19637 16222 1 20 . 1 1 182 182 TRP CB C 182 31.809 31.809 29.008 2.801 19637 16223 1 20 . 1 1 182 182 TRP H H 182 7.491 7.491 8.021 -0.530 19637 16224 1 20 . 1 1 183 183 VAL N N 183 121.618 121.618 116.314 5.304 19637 16225 1 20 . 1 1 183 183 VAL CA C 183 58.628 58.628 59.750 -1.122 19637 16226 1 20 . 1 1 183 183 VAL CB C 183 32.696 32.696 35.658 -2.962 19637 16227 1 20 . 1 1 183 183 VAL H H 183 9.372 9.372 8.407 0.965 19637 16228 1 20 . 1 1 185 185 MET N N 185 129.032 129.032 122.591 6.441 19637 16229 1 20 . 1 1 185 185 MET C C 185 172.186 172.186 174.299 -2.113 19637 16230 1 20 . 1 1 185 185 MET CA C 185 53.091 53.091 54.648 -1.557 19637 16231 1 20 . 1 1 185 185 MET CB C 185 33.405 33.405 35.123 -1.718 19637 16232 1 20 . 1 1 185 185 MET H H 185 9.615 9.615 9.049 0.566 19637 16233 1 20 . 1 1 186 186 PHE N N 186 124.085 124.085 123.189 0.896 19637 16234 1 20 . 1 1 186 186 PHE C C 186 174.816 174.816 173.501 1.315 19637 16235 1 20 . 1 1 186 186 PHE CA C 186 55.131 55.131 55.437 -0.306 19637 16236 1 20 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.554 -0.966 19637 16237 1 20 . 1 1 186 186 PHE H H 186 7.976 7.976 8.076 -0.100 19637 16238 1 20 . 1 1 187 187 SER N N 187 116.369 116.369 115.416 0.953 19637 16239 1 20 . 1 1 187 187 SER C C 187 171.305 171.305 172.455 -1.150 19637 16240 1 20 . 1 1 187 187 SER CA C 187 57.348 57.348 57.826 -0.478 19637 16241 1 20 . 1 1 187 187 SER CB C 187 66.127 66.127 65.088 1.039 19637 16242 1 20 . 1 1 187 187 SER H H 187 9.355 9.355 9.075 0.280 19637 16243 1 20 . 1 1 188 188 ALA N N 188 119.248 119.248 120.848 -1.600 19637 16244 1 20 . 1 1 188 188 ALA C C 188 175.996 175.996 175.696 0.300 19637 16245 1 20 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.282 -1.197 19637 16246 1 20 . 1 1 188 188 ALA CB C 188 21.079 21.079 21.537 -0.458 19637 16247 1 20 . 1 1 188 188 ALA H H 188 8.300 8.300 8.490 -0.190 19637 16248 1 20 . 1 1 189 189 GLY N N 189 104.914 104.914 104.540 0.374 19637 16249 1 20 . 1 1 189 189 GLY C C 189 170.650 170.650 172.545 -1.895 19637 16250 1 20 . 1 1 189 189 GLY CA C 189 44.046 44.046 44.004 0.042 19637 16251 1 20 . 1 1 189 189 GLY H H 189 9.235 9.235 7.700 1.535 19637 16252 1 20 . 1 1 190 190 TYR N N 190 121.149 121.149 119.749 1.400 19637 16253 1 20 . 1 1 190 190 TYR C C 190 173.608 173.608 175.216 -1.608 19637 16254 1 20 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.463 -1.332 19637 16255 1 20 . 1 1 190 190 TYR CB C 190 42.362 42.362 43.465 -1.103 19637 16256 1 20 . 1 1 190 190 TYR H H 190 8.865 8.865 8.958 -0.093 19637 16257 1 20 . 1 1 191 191 ARG N N 191 125.697 125.697 120.757 4.940 19637 16258 1 20 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.524 -2.995 19637 16259 1 20 . 1 1 191 191 ARG CB C 191 29.947 29.947 29.736 0.211 19637 16260 1 20 . 1 1 191 191 ARG H H 191 7.469 7.469 8.496 -1.027 19637 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 173 3.905 1.061 3.769 19637 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19637 3 1 1 "Average Difference" C 151 1.283 0.141 1.280 19637 4 1 1 "Average Difference" CA 173 1.772 1.230 1.279 19637 5 1 1 "Average Difference" CB 143 2.146 0.759 2.014 19637 6 1 1 "Average Difference" HN 173 0.598 -0.135 0.584 19637 7 1 2 "Average Difference" N 173 4.098 1.171 3.938 19637 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19637 9 1 2 "Average Difference" C 151 1.305 0.054 1.308 19637 10 1 2 "Average Difference" CA 173 1.709 1.237 1.183 19637 11 1 2 "Average Difference" CB 143 2.197 0.827 2.043 19637 12 1 2 "Average Difference" HN 173 0.616 -0.133 0.603 19637 13 1 3 "Average Difference" N 173 3.860 1.109 3.708 19637 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19637 15 1 3 "Average Difference" C 151 1.314 0.193 1.304 19637 16 1 3 "Average Difference" CA 173 1.678 1.074 1.293 19637 17 1 3 "Average Difference" CB 143 2.130 0.620 2.045 19637 18 1 3 "Average Difference" HN 173 0.670 -0.171 0.650 19637 19 1 4 "Average Difference" N 173 3.926 0.870 3.840 19637 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19637 21 1 4 "Average Difference" C 151 1.308 0.095 1.308 19637 22 1 4 "Average Difference" CA 173 1.861 1.232 1.399 19637 23 1 4 "Average Difference" CB 143 2.219 0.816 2.071 19637 24 1 4 "Average Difference" HN 173 0.612 -0.141 0.597 19637 25 1 5 "Average Difference" N 173 3.989 1.153 3.830 19637 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19637 27 1 5 "Average Difference" C 151 1.316 0.111 1.315 19637 28 1 5 "Average Difference" CA 173 1.717 1.159 1.270 19637 29 1 5 "Average Difference" CB 143 2.170 0.768 2.036 19637 30 1 5 "Average Difference" HN 173 0.662 -0.124 0.652 19637 31 1 6 "Average Difference" N 173 3.872 1.004 3.750 19637 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19637 33 1 6 "Average Difference" C 151 1.263 0.047 1.266 19637 34 1 6 "Average Difference" CA 173 1.745 1.180 1.290 19637 35 1 6 "Average Difference" CB 143 2.142 0.752 2.013 19637 36 1 6 "Average Difference" HN 173 0.629 -0.136 0.615 19637 37 1 7 "Average Difference" N 173 3.911 1.018 3.787 19637 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19637 39 1 7 "Average Difference" C 151 1.320 0.078 1.322 19637 40 1 7 "Average Difference" CA 173 1.581 1.044 1.191 19637 41 1 7 "Average Difference" CB 143 2.291 0.974 2.081 19637 42 1 7 "Average Difference" HN 173 0.609 -0.160 0.589 19637 43 1 8 "Average Difference" N 173 4.262 1.298 4.071 19637 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19637 45 1 8 "Average Difference" C 151 1.363 0.050 1.366 19637 46 1 8 "Average Difference" CA 173 1.687 1.115 1.270 19637 47 1 8 "Average Difference" CB 143 2.212 0.870 2.040 19637 48 1 8 "Average Difference" HN 173 0.612 -0.126 0.600 19637 49 1 9 "Average Difference" N 173 3.786 0.651 3.741 19637 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19637 51 1 9 "Average Difference" C 151 1.336 0.130 1.334 19637 52 1 9 "Average Difference" CA 173 1.777 1.108 1.393 19637 53 1 9 "Average Difference" CB 143 2.136 0.931 1.929 19637 54 1 9 "Average Difference" HN 173 0.640 -0.179 0.616 19637 55 1 10 "Average Difference" N 173 3.986 0.712 3.934 19637 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19637 57 1 10 "Average Difference" C 151 1.304 0.097 1.305 19637 58 1 10 "Average Difference" CA 173 1.806 1.158 1.390 19637 59 1 10 "Average Difference" CB 143 1.906 0.718 1.772 19637 60 1 10 "Average Difference" HN 173 0.589 -0.164 0.567 19637 61 1 11 "Average Difference" N 173 3.789 0.509 3.765 19637 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19637 63 1 11 "Average Difference" C 151 1.302 0.010 1.306 19637 64 1 11 "Average Difference" CA 173 1.711 1.091 1.323 19637 65 1 11 "Average Difference" CB 143 2.034 0.917 1.822 19637 66 1 11 "Average Difference" HN 173 0.620 -0.155 0.602 19637 67 1 12 "Average Difference" N 173 3.872 1.002 3.751 19637 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19637 69 1 12 "Average Difference" C 151 1.309 0.020 1.313 19637 70 1 12 "Average Difference" CA 173 1.711 1.191 1.232 19637 71 1 12 "Average Difference" CB 143 1.982 0.941 1.751 19637 72 1 12 "Average Difference" HN 173 0.585 -0.144 0.569 19637 73 1 13 "Average Difference" N 173 3.839 0.907 3.741 19637 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19637 75 1 13 "Average Difference" C 151 1.241 0.016 1.245 19637 76 1 13 "Average Difference" CA 173 1.738 1.188 1.272 19637 77 1 13 "Average Difference" CB 143 2.105 0.913 1.903 19637 78 1 13 "Average Difference" HN 173 0.645 -0.127 0.634 19637 79 1 14 "Average Difference" N 173 3.894 1.184 3.720 19637 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19637 81 1 14 "Average Difference" C 151 1.267 0.061 1.270 19637 82 1 14 "Average Difference" CA 173 1.749 1.112 1.354 19637 83 1 14 "Average Difference" CB 143 2.041 0.822 1.875 19637 84 1 14 "Average Difference" HN 173 0.618 -0.180 0.593 19637 85 1 15 "Average Difference" N 173 4.005 0.359 4.000 19637 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19637 87 1 15 "Average Difference" C 151 1.300 0.156 1.295 19637 88 1 15 "Average Difference" CA 173 1.825 1.240 1.343 19637 89 1 15 "Average Difference" CB 143 2.110 0.876 1.926 19637 90 1 15 "Average Difference" HN 173 0.658 -0.141 0.644 19637 91 1 16 "Average Difference" N 173 4.200 0.775 4.140 19637 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19637 93 1 16 "Average Difference" C 151 1.282 0.110 1.282 19637 94 1 16 "Average Difference" CA 173 1.783 1.177 1.344 19637 95 1 16 "Average Difference" CB 143 2.012 0.817 1.845 19637 96 1 16 "Average Difference" HN 173 0.600 -0.198 0.568 19637 97 1 17 "Average Difference" N 173 3.968 0.735 3.910 19637 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19637 99 1 17 "Average Difference" C 151 1.369 0.027 1.373 19637 100 1 17 "Average Difference" CA 173 1.731 1.141 1.306 19637 101 1 17 "Average Difference" CB 143 2.196 1.037 1.942 19637 102 1 17 "Average Difference" HN 173 0.654 -0.160 0.636 19637 103 1 18 "Average Difference" N 173 4.043 0.874 3.959 19637 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19637 105 1 18 "Average Difference" C 151 1.240 0.115 1.239 19637 106 1 18 "Average Difference" CA 173 1.803 1.225 1.327 19637 107 1 18 "Average Difference" CB 143 2.002 0.858 1.815 19637 108 1 18 "Average Difference" HN 173 0.638 -0.188 0.612 19637 109 1 19 "Average Difference" N 173 4.034 0.909 3.942 19637 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19637 111 1 19 "Average Difference" C 151 1.305 0.044 1.309 19637 112 1 19 "Average Difference" CA 173 1.701 1.108 1.294 19637 113 1 19 "Average Difference" CB 143 2.141 0.785 1.999 19637 114 1 19 "Average Difference" HN 173 0.635 -0.151 0.618 19637 115 1 20 "Average Difference" N 173 3.956 0.813 3.883 19637 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19637 117 1 20 "Average Difference" C 151 1.290 0.066 1.293 19637 118 1 20 "Average Difference" CA 173 1.732 1.163 1.288 19637 119 1 20 "Average Difference" CB 143 1.973 0.809 1.806 19637 120 1 20 "Average Difference" HN 173 0.635 -0.148 0.619 19637 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 19637 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 HIS N N 2 119.214 119.214 117.613 1.601 19637 2 1 . 1 1 2 2 HIS C C 2 171.081 171.081 173.538 -2.457 19637 3 1 . 1 1 2 2 HIS CA C 2 52.288 52.288 55.875 -3.587 19637 4 1 . 1 1 2 2 HIS CB C 2 23.296 23.296 29.654 -6.358 19637 5 1 . 1 1 2 2 HIS H H 2 8.422 8.422 8.227 0.195 19637 6 1 . 1 1 3 3 GLU N N 3 113.500 113.500 119.298 -5.798 19637 7 1 . 1 1 3 3 GLU C C 3 174.619 174.619 174.765 -0.146 19637 8 1 . 1 1 3 3 GLU CA C 3 53.662 53.662 55.512 -1.850 19637 9 1 . 1 1 3 3 GLU CB C 3 29.415 29.415 31.691 -2.276 19637 10 1 . 1 1 3 3 GLU H H 3 6.642 6.642 7.876 -1.234 19637 11 1 . 1 1 4 4 ALA N N 4 120.680 120.680 123.002 -2.322 19637 12 1 . 1 1 4 4 ALA C C 4 178.439 178.439 177.825 0.614 19637 13 1 . 1 1 4 4 ALA CA C 4 52.376 52.376 53.311 -0.935 19637 14 1 . 1 1 4 4 ALA CB C 4 17.443 17.443 18.120 -0.676 19637 15 1 . 1 1 4 4 ALA H H 4 8.701 8.701 8.432 0.269 19637 16 1 . 1 1 5 5 GLY N N 5 112.786 112.786 109.287 3.498 19637 17 1 . 1 1 5 5 GLY C C 5 173.309 173.309 174.035 -0.726 19637 18 1 . 1 1 5 5 GLY CA C 5 43.553 43.553 44.967 -1.414 19637 19 1 . 1 1 5 5 GLY H H 5 9.294 9.294 8.175 1.119 19637 20 1 . 1 1 6 6 GLU N N 6 121.755 121.755 120.386 1.369 19637 21 1 . 1 1 6 6 GLU C C 6 173.693 173.693 174.759 -1.066 19637 22 1 . 1 1 6 6 GLU CA C 6 56.018 56.018 55.620 0.398 19637 23 1 . 1 1 6 6 GLU CB C 6 31.188 31.188 30.968 0.220 19637 24 1 . 1 1 6 6 GLU H H 6 7.955 7.955 7.745 0.210 19637 25 1 . 1 1 7 7 PHE N N 7 124.802 124.802 121.995 2.807 19637 26 1 . 1 1 7 7 PHE C C 7 174.039 174.039 174.151 -0.112 19637 27 1 . 1 1 7 7 PHE CA C 7 54.333 54.333 56.152 -1.819 19637 28 1 . 1 1 7 7 PHE CB C 7 41.741 41.741 41.418 0.323 19637 29 1 . 1 1 7 7 PHE H H 7 8.648 8.648 8.191 0.457 19637 30 1 . 1 1 8 8 PHE N N 8 121.132 121.132 123.274 -2.142 19637 31 1 . 1 1 8 8 PHE C C 8 171.861 171.861 174.184 -2.323 19637 32 1 . 1 1 8 8 PHE CA C 8 54.549 54.549 56.502 -1.953 19637 33 1 . 1 1 8 8 PHE CB C 8 40.677 40.677 43.236 -2.559 19637 34 1 . 1 1 8 8 PHE H H 8 8.574 8.574 8.985 -0.411 19637 35 1 . 1 1 9 9 MET N N 9 120.391 120.391 120.975 -0.584 19637 36 1 . 1 1 9 9 MET C C 9 174.166 174.166 174.264 -0.098 19637 37 1 . 1 1 9 9 MET CA C 9 52.199 52.199 54.860 -2.661 19637 38 1 . 1 1 9 9 MET CB C 9 37.307 37.307 36.130 1.177 19637 39 1 . 1 1 9 9 MET H H 9 8.541 8.541 9.150 -0.609 19637 40 1 . 1 1 10 10 ARG N N 10 117.892 117.892 121.305 -3.413 19637 41 1 . 1 1 10 10 ARG C C 10 175.289 175.289 173.992 1.297 19637 42 1 . 1 1 10 10 ARG CA C 10 53.446 53.446 54.486 -1.040 19637 43 1 . 1 1 10 10 ARG CB C 10 31.366 31.366 34.472 -3.106 19637 44 1 . 1 1 10 10 ARG H H 10 8.357 8.357 8.822 -0.465 19637 45 1 . 1 1 11 11 ALA N N 11 119.664 119.664 122.935 -3.271 19637 46 1 . 1 1 11 11 ALA C C 11 176.057 176.057 176.419 -0.362 19637 47 1 . 1 1 11 11 ALA CA C 11 49.632 49.632 51.055 -1.423 19637 48 1 . 1 1 11 11 ALA CB C 11 21.518 21.518 20.750 0.768 19637 49 1 . 1 1 11 11 ALA H H 11 9.154 9.154 8.348 0.806 19637 50 1 . 1 1 12 12 GLY N N 12 106.262 106.262 108.214 -1.952 19637 51 1 . 1 1 12 12 GLY C C 12 172.068 172.068 172.816 -0.748 19637 52 1 . 1 1 12 12 GLY CA C 12 45.149 45.149 44.820 0.329 19637 53 1 . 1 1 12 12 GLY H H 12 8.655 8.655 8.434 0.221 19637 54 1 . 1 1 13 13 SER N N 13 116.893 116.893 118.734 -1.841 19637 55 1 . 1 1 13 13 SER C C 13 173.604 173.604 172.856 0.748 19637 56 1 . 1 1 13 13 SER CA C 13 56.367 56.367 57.125 -0.758 19637 57 1 . 1 1 13 13 SER CB C 13 64.087 64.087 64.183 -0.096 19637 58 1 . 1 1 13 13 SER H H 13 8.644 8.644 8.105 0.539 19637 59 1 . 1 1 14 14 ALA N N 14 125.234 125.234 127.350 -2.116 19637 60 1 . 1 1 14 14 ALA CA C 14 49.627 49.627 50.883 -1.256 19637 61 1 . 1 1 14 14 ALA CB C 14 18.330 18.330 20.183 -1.853 19637 62 1 . 1 1 14 14 ALA H H 14 9.120 9.120 8.139 0.981 19637 63 1 . 1 1 15 15 THR N N 15 121.303 121.303 120.327 0.976 19637 64 1 . 1 1 15 15 THR C C 15 175.230 175.230 173.881 1.349 19637 65 1 . 1 1 15 15 THR CA C 15 60.895 60.895 61.708 -0.813 19637 66 1 . 1 1 15 15 THR CB C 15 70.029 70.029 69.407 0.622 19637 67 1 . 1 1 15 15 THR H H 15 9.351 9.351 8.457 0.894 19637 68 1 . 1 1 16 16 VAL N N 16 126.781 126.781 125.163 1.618 19637 69 1 . 1 1 16 16 VAL C C 16 174.432 174.432 175.295 -0.863 19637 70 1 . 1 1 16 16 VAL CA C 16 60.806 60.806 61.671 -0.865 19637 71 1 . 1 1 16 16 VAL CB C 16 30.922 30.922 32.966 -2.044 19637 72 1 . 1 1 16 16 VAL H H 16 9.110 9.110 8.530 0.580 19637 73 1 . 1 1 17 17 ARG N N 17 129.806 129.806 128.160 1.646 19637 74 1 . 1 1 17 17 ARG C C 17 173.440 173.440 174.472 -1.032 19637 75 1 . 1 1 17 17 ARG CA C 17 51.407 51.407 53.314 -1.907 19637 76 1 . 1 1 17 17 ARG CB C 17 30.302 30.302 31.093 -0.791 19637 77 1 . 1 1 17 17 ARG H H 17 9.325 9.325 8.477 0.848 19637 78 1 . 1 1 19 19 THR N N 19 114.402 114.402 112.953 1.449 19637 79 1 . 1 1 19 19 THR CA C 19 61.022 61.022 62.124 -1.102 19637 80 1 . 1 1 19 19 THR CB C 19 69.142 69.142 69.486 -0.344 19637 81 1 . 1 1 19 19 THR H H 19 8.021 8.021 8.062 -0.041 19637 82 1 . 1 1 20 20 GLU N N 20 123.598 123.598 121.778 1.820 19637 83 1 . 1 1 20 20 GLU C C 20 177.007 177.007 175.975 1.032 19637 84 1 . 1 1 20 20 GLU CA C 20 55.480 55.480 56.430 -0.950 19637 85 1 . 1 1 20 20 GLU CB C 20 28.794 28.794 30.328 -1.534 19637 86 1 . 1 1 20 20 GLU H H 20 8.601 8.601 8.421 0.180 19637 87 1 . 1 1 21 21 GLY N N 21 110.237 110.237 109.046 1.191 19637 88 1 . 1 1 21 21 GLY C C 21 174.077 174.077 173.672 0.405 19637 89 1 . 1 1 21 21 GLY CA C 21 44.661 44.661 45.163 -0.502 19637 90 1 . 1 1 21 21 GLY H H 21 8.530 8.530 8.329 0.201 19637 91 1 . 1 1 22 22 ALA N N 22 123.476 123.476 123.882 -0.406 19637 92 1 . 1 1 22 22 ALA C C 22 178.158 178.158 177.285 0.873 19637 93 1 . 1 1 22 22 ALA CA C 22 51.755 51.755 52.589 -0.834 19637 94 1 . 1 1 22 22 ALA CB C 22 17.778 17.778 19.151 -1.373 19637 95 1 . 1 1 22 22 ALA H H 22 8.279 8.279 8.382 -0.103 19637 96 1 . 1 1 23 23 GLY N N 23 107.265 107.265 107.998 -0.733 19637 97 1 . 1 1 23 23 GLY C C 23 174.727 174.727 174.586 0.141 19637 98 1 . 1 1 23 23 GLY CA C 23 44.440 44.440 45.254 -0.814 19637 99 1 . 1 1 23 23 GLY H H 23 8.452 8.452 8.522 -0.070 19637 100 1 . 1 1 24 24 GLY N N 24 108.306 108.306 109.296 -0.990 19637 101 1 . 1 1 24 24 GLY C C 24 174.786 174.786 174.132 0.654 19637 102 1 . 1 1 24 24 GLY CA C 24 44.440 44.440 45.315 -0.875 19637 103 1 . 1 1 24 24 GLY H H 24 8.221 8.221 8.121 0.100 19637 104 1 . 1 1 25 25 THR N N 25 114.381 114.381 114.042 0.339 19637 105 1 . 1 1 25 25 THR C C 25 175.170 175.170 174.684 0.486 19637 106 1 . 1 1 25 25 THR CA C 25 61.599 61.599 62.262 -0.663 19637 107 1 . 1 1 25 25 THR CB C 25 68.521 68.521 69.308 -0.788 19637 108 1 . 1 1 25 25 THR H H 25 8.213 8.213 8.200 0.013 19637 109 1 . 1 1 26 26 LEU N N 26 123.038 123.038 122.009 1.029 19637 110 1 . 1 1 26 26 LEU C C 26 177.918 177.918 176.490 1.428 19637 111 1 . 1 1 26 26 LEU CA C 26 54.682 54.682 55.104 -0.422 19637 112 1 . 1 1 26 26 LEU CB C 26 40.145 40.145 41.989 -1.844 19637 113 1 . 1 1 26 26 LEU H H 26 8.425 8.425 8.017 0.408 19637 114 1 . 1 1 27 27 GLY N N 27 108.786 108.786 108.390 0.396 19637 115 1 . 1 1 27 27 GLY C C 27 175.023 175.023 173.808 1.215 19637 116 1 . 1 1 27 27 GLY CA C 27 44.839 44.839 44.849 -0.010 19637 117 1 . 1 1 27 27 GLY H H 27 8.260 8.260 8.048 0.212 19637 118 1 . 1 1 28 28 SER N N 28 116.175 116.175 115.769 0.406 19637 119 1 . 1 1 28 28 SER CA C 28 58.140 58.140 58.247 -0.107 19637 120 1 . 1 1 28 28 SER CB C 28 62.846 62.846 63.874 -1.028 19637 121 1 . 1 1 28 28 SER H H 28 8.330 8.330 8.254 0.076 19637 122 1 . 1 1 29 29 LEU N N 29 122.260 122.260 121.594 0.666 19637 123 1 . 1 1 29 29 LEU C C 29 177.512 177.512 176.721 0.791 19637 124 1 . 1 1 29 29 LEU CA C 29 54.416 54.416 55.495 -1.079 19637 125 1 . 1 1 29 29 LEU CB C 29 40.322 40.322 42.680 -2.358 19637 126 1 . 1 1 29 29 LEU H H 29 8.157 8.157 8.059 0.098 19637 127 1 . 1 1 30 30 GLY N N 30 107.575 107.575 107.620 -0.045 19637 128 1 . 1 1 30 30 GLY C C 30 174.225 174.225 174.562 -0.337 19637 129 1 . 1 1 30 30 GLY CA C 30 44.528 44.528 44.733 -0.205 19637 130 1 . 1 1 30 30 GLY H H 30 8.144 8.144 8.592 -0.448 19637 131 1 . 1 1 31 31 GLY N N 31 107.996 107.996 107.764 0.232 19637 132 1 . 1 1 31 31 GLY C C 31 173.664 173.664 173.317 0.347 19637 133 1 . 1 1 31 31 GLY CA C 31 44.218 44.218 44.814 -0.596 19637 134 1 . 1 1 31 31 GLY H H 31 8.044 8.044 7.945 0.099 19637 135 1 . 1 1 32 32 PHE N N 32 119.248 119.248 121.063 -1.815 19637 136 1 . 1 1 32 32 PHE C C 32 175.495 175.495 174.546 0.949 19637 137 1 . 1 1 32 32 PHE CA C 32 56.373 56.373 57.133 -0.760 19637 138 1 . 1 1 32 32 PHE CB C 32 39.258 39.258 41.151 -1.894 19637 139 1 . 1 1 32 32 PHE H H 32 8.181 8.181 8.062 0.119 19637 140 1 . 1 1 33 33 SER N N 33 117.720 117.720 118.450 -0.730 19637 141 1 . 1 1 33 33 SER C C 33 173.368 173.368 172.801 0.567 19637 142 1 . 1 1 33 33 SER CA C 33 55.746 55.746 57.886 -2.140 19637 143 1 . 1 1 33 33 SER CB C 33 64.265 64.265 64.507 -0.242 19637 144 1 . 1 1 33 33 SER H H 33 8.771 8.771 8.377 0.394 19637 145 1 . 1 1 34 34 VAL N N 34 123.007 123.007 120.612 2.395 19637 146 1 . 1 1 34 34 VAL CA C 34 59.426 59.426 60.941 -1.515 19637 147 1 . 1 1 34 34 VAL CB C 34 32.785 32.785 33.807 -1.022 19637 148 1 . 1 1 34 34 VAL H H 34 8.525 8.525 8.196 0.329 19637 149 1 . 1 1 35 35 THR N N 35 115.459 115.459 118.397 -2.938 19637 150 1 . 1 1 35 35 THR CA C 35 61.200 61.200 62.122 -0.922 19637 151 1 . 1 1 35 35 THR CB C 35 69.851 69.851 69.409 0.442 19637 152 1 . 1 1 35 35 THR H H 35 8.147 8.147 8.297 -0.151 19637 153 1 . 1 1 36 36 ASN N N 36 118.274 118.274 122.800 -4.526 19637 154 1 . 1 1 36 36 ASN CA C 36 51.407 51.407 52.955 -1.548 19637 155 1 . 1 1 36 36 ASN CB C 36 38.105 38.105 39.618 -1.513 19637 156 1 . 1 1 36 36 ASN H H 36 8.719 8.719 8.481 0.238 19637 157 1 . 1 1 37 37 ASN N N 37 115.657 115.657 118.285 -2.628 19637 158 1 . 1 1 37 37 ASN CA C 37 54.865 54.865 53.188 1.677 19637 159 1 . 1 1 37 37 ASN CB C 37 44.312 44.312 40.331 3.981 19637 160 1 . 1 1 37 37 ASN H H 37 8.432 8.432 8.361 0.071 19637 161 1 . 1 1 38 38 THR N N 38 122.444 122.444 116.064 6.380 19637 162 1 . 1 1 38 38 THR CA C 38 61.288 61.288 62.194 -0.906 19637 163 1 . 1 1 38 38 THR CB C 38 69.142 69.142 68.738 0.405 19637 164 1 . 1 1 38 38 THR H H 38 8.095 8.095 8.433 -0.338 19637 165 1 . 1 1 40 40 LEU N N 40 120.457 120.457 119.541 0.916 19637 166 1 . 1 1 40 40 LEU CA C 40 54.327 54.327 54.604 -0.277 19637 167 1 . 1 1 40 40 LEU CB C 40 41.218 41.218 43.466 -2.248 19637 168 1 . 1 1 40 40 LEU H H 40 6.902 6.902 8.123 -1.221 19637 169 1 . 1 1 41 41 GLY N N 41 111.223 111.223 109.957 1.266 19637 170 1 . 1 1 41 41 GLY C C 41 171.034 171.034 172.263 -1.229 19637 171 1 . 1 1 41 41 GLY CA C 41 42.843 42.843 44.466 -1.623 19637 172 1 . 1 1 41 41 GLY H H 41 8.978 8.978 8.427 0.551 19637 173 1 . 1 1 42 42 LEU N N 42 122.123 122.123 120.151 1.972 19637 174 1 . 1 1 42 42 LEU C C 42 175.350 175.350 175.041 0.309 19637 175 1 . 1 1 42 42 LEU CA C 42 52.155 52.155 54.225 -2.070 19637 176 1 . 1 1 42 42 LEU CB C 42 45.377 45.377 45.598 -0.221 19637 177 1 . 1 1 42 42 LEU H H 42 8.679 8.679 8.497 0.182 19637 178 1 . 1 1 43 43 THR N N 43 109.917 109.917 115.397 -5.480 19637 179 1 . 1 1 43 43 THR C C 43 173.516 173.516 173.132 0.384 19637 180 1 . 1 1 43 43 THR CA C 43 58.057 58.057 60.569 -2.512 19637 181 1 . 1 1 43 43 THR CB C 43 70.029 70.029 71.405 -1.376 19637 182 1 . 1 1 43 43 THR H H 43 8.792 8.792 8.690 0.102 19637 183 1 . 1 1 44 44 PHE N N 44 118.699 118.699 123.535 -4.836 19637 184 1 . 1 1 44 44 PHE C C 44 173.917 173.917 174.673 -0.756 19637 185 1 . 1 1 44 44 PHE CA C 44 55.480 55.480 56.308 -0.828 19637 186 1 . 1 1 44 44 PHE CB C 44 40.765 40.765 42.152 -1.387 19637 187 1 . 1 1 44 44 PHE H H 44 8.566 8.566 8.881 -0.315 19637 188 1 . 1 1 45 45 THR N N 45 118.229 118.229 118.216 0.013 19637 189 1 . 1 1 45 45 THR C C 45 170.886 170.886 172.916 -2.030 19637 190 1 . 1 1 45 45 THR CA C 45 60.097 60.097 60.956 -0.859 19637 191 1 . 1 1 45 45 THR CB C 45 68.433 68.433 70.980 -2.547 19637 192 1 . 1 1 45 45 THR H H 45 7.903 7.903 9.031 -1.128 19637 193 1 . 1 1 46 46 TYR N N 46 124.450 124.450 125.960 -1.510 19637 194 1 . 1 1 46 46 TYR C C 46 174.254 174.254 173.651 0.603 19637 195 1 . 1 1 46 46 TYR CA C 46 54.150 54.150 56.098 -1.948 19637 196 1 . 1 1 46 46 TYR CB C 46 42.273 42.273 41.346 0.927 19637 197 1 . 1 1 46 46 TYR H H 46 8.941 8.941 8.901 0.040 19637 198 1 . 1 1 47 47 MET N N 47 123.598 123.598 124.404 -0.806 19637 199 1 . 1 1 47 47 MET C C 47 175.082 175.082 175.576 -0.494 19637 200 1 . 1 1 47 47 MET CA C 47 50.425 50.425 54.830 -4.405 19637 201 1 . 1 1 47 47 MET CB C 47 26.222 26.222 33.233 -7.010 19637 202 1 . 1 1 47 47 MET H H 47 7.798 7.798 8.484 -0.686 19637 203 1 . 1 1 48 48 ALA N N 48 129.975 129.975 127.603 2.372 19637 204 1 . 1 1 48 48 ALA C C 48 178.568 178.568 177.188 1.380 19637 205 1 . 1 1 48 48 ALA CA C 48 53.305 53.305 53.778 -0.473 19637 206 1 . 1 1 48 48 ALA CB C 48 17.712 17.712 19.776 -2.064 19637 207 1 . 1 1 48 48 ALA H H 48 8.717 8.717 8.651 0.066 19637 208 1 . 1 1 49 49 THR N N 49 106.011 106.011 110.680 -4.669 19637 209 1 . 1 1 49 49 THR C C 49 171.950 171.950 172.816 -0.866 19637 210 1 . 1 1 49 49 THR CA C 49 57.786 57.786 62.184 -4.398 19637 211 1 . 1 1 49 49 THR CB C 49 70.535 70.535 68.574 1.961 19637 212 1 . 1 1 49 49 THR H H 49 8.072 8.072 7.988 0.084 19637 213 1 . 1 1 50 50 ASP N N 50 114.062 114.062 121.463 -7.401 19637 214 1 . 1 1 50 50 ASP C C 50 175.318 175.318 175.255 0.063 19637 215 1 . 1 1 50 50 ASP CA C 50 54.776 54.776 54.413 0.363 19637 216 1 . 1 1 50 50 ASP CB C 50 39.790 39.790 40.625 -0.835 19637 217 1 . 1 1 50 50 ASP H H 50 8.390 8.390 8.291 0.099 19637 218 1 . 1 1 51 51 ASN N N 51 111.850 111.850 115.191 -3.341 19637 219 1 . 1 1 51 51 ASN C C 51 171.684 171.684 173.553 -1.869 19637 220 1 . 1 1 51 51 ASN CA C 51 54.416 54.416 54.185 0.231 19637 221 1 . 1 1 51 51 ASN CB C 51 40.233 40.233 38.142 2.091 19637 222 1 . 1 1 51 51 ASN H H 51 7.887 7.887 8.333 -0.446 19637 223 1 . 1 1 52 52 ILE N N 52 118.929 118.929 116.671 2.258 19637 224 1 . 1 1 52 52 ILE C C 52 175.495 175.495 174.634 0.861 19637 225 1 . 1 1 52 52 ILE CA C 52 59.648 59.648 60.100 -0.452 19637 226 1 . 1 1 52 52 ILE CB C 52 37.484 37.484 40.179 -2.695 19637 227 1 . 1 1 52 52 ILE H H 52 7.707 7.707 7.554 0.153 19637 228 1 . 1 1 53 53 GLY N N 53 114.998 114.998 113.330 1.668 19637 229 1 . 1 1 53 53 GLY C C 53 171.536 171.536 172.353 -0.817 19637 230 1 . 1 1 53 53 GLY CA C 53 42.932 42.932 43.958 -1.026 19637 231 1 . 1 1 53 53 GLY H H 53 8.678 8.678 8.730 -0.052 19637 232 1 . 1 1 54 54 VAL N N 54 118.327 118.327 120.643 -2.317 19637 233 1 . 1 1 54 54 VAL C C 54 173.309 173.309 174.233 -0.924 19637 234 1 . 1 1 54 54 VAL CA C 54 59.648 59.648 60.899 -1.251 19637 235 1 . 1 1 54 54 VAL CB C 54 32.873 32.873 34.232 -1.359 19637 236 1 . 1 1 54 54 VAL H H 54 8.734 8.734 8.517 0.217 19637 237 1 . 1 1 55 55 GLU N N 55 126.907 126.907 126.986 -0.079 19637 238 1 . 1 1 55 55 GLU C C 55 173.575 173.575 174.618 -1.043 19637 239 1 . 1 1 55 55 GLU CA C 55 53.269 53.269 54.341 -1.072 19637 240 1 . 1 1 55 55 GLU CB C 55 34.727 34.727 32.964 1.763 19637 241 1 . 1 1 55 55 GLU H H 55 9.084 9.084 8.970 0.114 19637 242 1 . 1 1 56 56 LEU N N 56 126.739 126.739 125.398 1.341 19637 243 1 . 1 1 56 56 LEU C C 56 174.786 174.786 174.967 -0.181 19637 244 1 . 1 1 56 56 LEU CA C 56 51.933 51.933 53.874 -1.941 19637 245 1 . 1 1 56 56 LEU CB C 56 45.022 45.022 44.845 0.177 19637 246 1 . 1 1 56 56 LEU H H 56 9.168 9.168 8.890 0.278 19637 247 1 . 1 1 57 57 LEU N N 57 127.189 127.189 126.850 0.339 19637 248 1 . 1 1 57 57 LEU C C 57 174.579 174.579 174.690 -0.111 19637 249 1 . 1 1 57 57 LEU CA C 57 53.091 53.091 53.763 -0.672 19637 250 1 . 1 1 57 57 LEU CB C 57 43.160 43.160 44.792 -1.633 19637 251 1 . 1 1 57 57 LEU H H 57 9.174 9.174 8.721 0.453 19637 252 1 . 1 1 58 58 ALA N N 58 125.061 125.061 126.535 -1.474 19637 253 1 . 1 1 58 58 ALA C C 58 172.925 172.925 175.183 -2.258 19637 254 1 . 1 1 58 58 ALA CA C 58 48.924 48.924 50.856 -1.932 19637 255 1 . 1 1 58 58 ALA CB C 58 21.079 21.079 22.602 -1.523 19637 256 1 . 1 1 58 58 ALA H H 58 9.435 9.435 8.722 0.713 19637 257 1 . 1 1 59 59 ALA N N 59 116.911 116.911 123.059 -6.148 19637 258 1 . 1 1 59 59 ALA C C 59 176.248 176.248 176.215 0.033 19637 259 1 . 1 1 59 59 ALA CA C 59 50.071 50.071 51.758 -1.687 19637 260 1 . 1 1 59 59 ALA CB C 59 19.659 19.659 20.978 -1.319 19637 261 1 . 1 1 59 59 ALA H H 59 6.833 6.833 8.162 -1.329 19637 262 1 . 1 1 60 60 THR N N 60 105.771 105.771 114.232 -8.461 19637 263 1 . 1 1 60 60 THR C C 60 170.975 170.975 173.617 -2.642 19637 264 1 . 1 1 60 60 THR CA C 60 59.515 59.515 60.929 -1.414 19637 265 1 . 1 1 60 60 THR CB C 60 63.487 63.487 68.538 -5.051 19637 266 1 . 1 1 60 60 THR H H 60 7.718 7.718 8.405 -0.687 19637 267 1 . 1 1 62 62 PHE N N 62 122.473 122.473 118.851 3.621 19637 268 1 . 1 1 62 62 PHE C C 62 174.934 174.934 174.800 0.134 19637 269 1 . 1 1 62 62 PHE CA C 62 56.721 56.721 57.198 -0.477 19637 270 1 . 1 1 62 62 PHE CB C 62 39.613 39.613 40.221 -0.608 19637 271 1 . 1 1 62 62 PHE H H 62 8.251 8.251 7.944 0.307 19637 272 1 . 1 1 63 63 ARG N N 63 118.016 118.016 123.578 -5.562 19637 273 1 . 1 1 63 63 ARG C C 63 174.423 174.423 174.610 -0.187 19637 274 1 . 1 1 63 63 ARG CA C 63 52.648 52.648 54.985 -2.337 19637 275 1 . 1 1 63 63 ARG CB C 63 31.898 31.898 32.938 -1.040 19637 276 1 . 1 1 63 63 ARG H H 63 7.378 7.378 8.382 -1.004 19637 277 1 . 1 1 64 64 HIS N N 64 120.040 120.040 120.403 -0.363 19637 278 1 . 1 1 64 64 HIS CA C 64 52.953 52.953 55.863 -2.910 19637 279 1 . 1 1 64 64 HIS H H 64 8.588 8.588 8.369 0.219 19637 280 1 . 1 1 66 66 ILE N N 66 122.668 122.668 121.228 1.440 19637 281 1 . 1 1 66 66 ILE C C 66 175.141 175.141 174.986 0.155 19637 282 1 . 1 1 66 66 ILE CA C 66 57.963 57.963 60.317 -2.354 19637 283 1 . 1 1 66 66 ILE CB C 66 38.637 38.637 40.131 -1.494 19637 284 1 . 1 1 66 66 ILE H H 66 8.726 8.726 8.229 0.497 19637 285 1 . 1 1 67 67 GLY N N 67 114.948 114.948 113.553 1.395 19637 286 1 . 1 1 67 67 GLY C C 67 172.570 172.570 173.298 -0.728 19637 287 1 . 1 1 67 67 GLY CA C 67 44.129 44.129 44.815 -0.686 19637 288 1 . 1 1 67 67 GLY H H 67 8.780 8.780 8.447 0.333 19637 289 1 . 1 1 68 68 THR N N 68 106.079 106.079 114.185 -8.106 19637 290 1 . 1 1 68 68 THR C C 68 175.574 175.574 174.583 0.991 19637 291 1 . 1 1 68 68 THR CA C 68 58.672 58.672 60.709 -2.037 19637 292 1 . 1 1 68 68 THR CB C 68 71.270 71.270 70.768 0.502 19637 293 1 . 1 1 68 68 THR H H 68 7.431 7.431 7.832 -0.401 19637 294 1 . 1 1 69 69 ARG N N 69 122.303 122.303 122.766 -0.463 19637 295 1 . 1 1 69 69 ARG C C 69 178.298 178.298 177.061 1.237 19637 296 1 . 1 1 69 69 ARG CA C 69 58.229 58.229 57.906 0.323 19637 297 1 . 1 1 69 69 ARG CB C 69 28.173 28.173 30.055 -1.882 19637 298 1 . 1 1 69 69 ARG H H 69 8.783 8.783 8.782 0.000 19637 299 1 . 1 1 70 70 ALA N N 70 117.681 117.681 121.704 -4.023 19637 300 1 . 1 1 70 70 ALA C C 70 179.281 179.281 178.308 0.973 19637 301 1 . 1 1 70 70 ALA CA C 70 53.269 53.269 54.300 -1.031 19637 302 1 . 1 1 70 70 ALA CB C 70 17.975 17.975 18.697 -0.722 19637 303 1 . 1 1 70 70 ALA H H 70 8.262 8.262 8.174 0.088 19637 304 1 . 1 1 71 71 THR N N 71 105.486 105.486 109.103 -3.617 19637 305 1 . 1 1 71 71 THR C C 71 176.136 176.136 175.561 0.575 19637 306 1 . 1 1 71 71 THR CA C 71 60.895 60.895 62.258 -1.363 19637 307 1 . 1 1 71 71 THR CB C 71 70.383 70.383 70.040 0.343 19637 308 1 . 1 1 71 71 THR H H 71 7.473 7.473 7.704 -0.231 19637 309 1 . 1 1 72 72 GLY N N 72 111.099 111.099 111.055 0.044 19637 310 1 . 1 1 72 72 GLY C C 72 175.052 175.052 173.678 1.374 19637 311 1 . 1 1 72 72 GLY CA C 72 44.046 44.046 45.400 -1.354 19637 312 1 . 1 1 72 72 GLY H H 72 8.194 8.194 7.940 0.254 19637 313 1 . 1 1 73 73 ASP N N 73 121.919 121.919 120.735 1.184 19637 314 1 . 1 1 73 73 ASP C C 73 177.889 177.889 175.739 2.150 19637 315 1 . 1 1 73 73 ASP CA C 73 55.042 55.042 54.843 0.199 19637 316 1 . 1 1 73 73 ASP CB C 73 39.524 39.524 41.717 -2.193 19637 317 1 . 1 1 73 73 ASP H H 73 8.668 8.668 8.065 0.603 19637 318 1 . 1 1 74 74 ILE N N 74 117.113 117.113 117.899 -0.786 19637 319 1 . 1 1 74 74 ILE C C 74 175.013 175.013 174.228 0.785 19637 320 1 . 1 1 74 74 ILE CA C 74 59.914 59.914 61.214 -1.300 19637 321 1 . 1 1 74 74 ILE CB C 74 41.297 41.297 37.872 3.425 19637 322 1 . 1 1 74 74 ILE H H 74 9.327 9.327 8.097 1.230 19637 323 1 . 1 1 75 75 ALA N N 75 121.329 121.329 125.048 -3.720 19637 324 1 . 1 1 75 75 ALA CA C 75 50.425 50.425 50.937 -0.512 19637 325 1 . 1 1 75 75 ALA CB C 75 21.523 21.523 21.384 0.139 19637 326 1 . 1 1 75 75 ALA H H 75 8.086 8.086 7.807 0.279 19637 327 1 . 1 1 76 76 THR N N 76 116.168 116.168 115.556 0.612 19637 328 1 . 1 1 76 76 THR C C 76 173.043 173.043 173.365 -0.322 19637 329 1 . 1 1 76 76 THR CA C 76 60.540 60.540 61.835 -1.295 19637 330 1 . 1 1 76 76 THR CB C 76 69.674 69.674 69.517 0.157 19637 331 1 . 1 1 76 76 THR H H 76 8.539 8.539 8.207 0.332 19637 332 1 . 1 1 77 77 VAL N N 77 117.996 117.996 121.866 -3.870 19637 333 1 . 1 1 77 77 VAL C C 77 174.964 174.964 173.956 1.008 19637 334 1 . 1 1 77 77 VAL CA C 77 57.348 57.348 60.178 -2.830 19637 335 1 . 1 1 77 77 VAL CB C 77 34.026 34.026 34.589 -0.563 19637 336 1 . 1 1 77 77 VAL H H 77 8.578 8.578 8.140 0.438 19637 337 1 . 1 1 78 78 HIS N N 78 116.541 116.541 122.551 -6.010 19637 338 1 . 1 1 78 78 HIS C C 78 173.634 173.634 173.744 -0.110 19637 339 1 . 1 1 78 78 HIS CA C 78 52.825 52.825 55.160 -2.335 19637 340 1 . 1 1 78 78 HIS CB C 78 29.947 29.947 31.621 -1.674 19637 341 1 . 1 1 78 78 HIS H H 78 7.822 7.822 8.307 -0.485 19637 342 1 . 1 1 79 79 HIS N N 79 113.176 113.176 119.911 -6.735 19637 343 1 . 1 1 79 79 HIS C C 79 173.841 173.841 173.841 -0.000 19637 344 1 . 1 1 79 79 HIS CA C 79 54.416 54.416 54.588 -0.172 19637 345 1 . 1 1 79 79 HIS CB C 79 34.026 34.026 32.149 1.877 19637 346 1 . 1 1 79 79 HIS H H 79 7.912 7.912 8.261 -0.349 19637 347 1 . 1 1 80 80 LEU N N 80 118.153 118.153 121.484 -3.331 19637 348 1 . 1 1 80 80 LEU C C 80 177.821 177.821 175.805 2.016 19637 349 1 . 1 1 80 80 LEU CA C 80 50.159 50.159 51.737 -1.578 19637 350 1 . 1 1 80 80 LEU CB C 80 46.263 46.263 42.777 3.486 19637 351 1 . 1 1 80 80 LEU H H 80 8.205 8.205 8.371 -0.166 19637 352 1 . 1 1 83 83 THR N N 83 115.326 115.326 115.698 -0.372 19637 353 1 . 1 1 83 83 THR C C 83 171.362 171.362 173.339 -1.977 19637 354 1 . 1 1 83 83 THR CA C 83 60.540 60.540 60.425 0.115 19637 355 1 . 1 1 83 83 THR CB C 83 72.068 72.068 72.084 -0.016 19637 356 1 . 1 1 83 83 THR H H 83 7.688 7.688 8.535 -0.847 19637 357 1 . 1 1 84 84 LEU N N 84 129.848 129.848 124.404 5.444 19637 358 1 . 1 1 84 84 LEU C C 84 174.373 174.373 175.005 -0.632 19637 359 1 . 1 1 84 84 LEU CA C 84 52.421 52.421 54.358 -1.937 19637 360 1 . 1 1 84 84 LEU CB C 84 44.756 44.756 44.781 -0.025 19637 361 1 . 1 1 84 84 LEU H H 84 9.013 9.013 8.600 0.413 19637 362 1 . 1 1 85 85 MET N N 85 121.374 121.374 122.736 -1.362 19637 363 1 . 1 1 85 85 MET C C 85 175.407 175.407 174.111 1.296 19637 364 1 . 1 1 85 85 MET CA C 85 52.421 52.421 54.244 -1.823 19637 365 1 . 1 1 85 85 MET CB C 85 34.558 34.558 36.747 -2.189 19637 366 1 . 1 1 85 85 MET H H 85 9.823 9.823 9.065 0.758 19637 367 1 . 1 1 86 86 ALA N N 86 123.689 123.689 125.399 -1.710 19637 368 1 . 1 1 86 86 ALA C C 86 176.205 176.205 175.803 0.402 19637 369 1 . 1 1 86 86 ALA CA C 86 49.805 49.805 51.017 -1.212 19637 370 1 . 1 1 86 86 ALA CB C 86 18.951 18.951 20.919 -1.968 19637 371 1 . 1 1 86 86 ALA H H 86 9.080 9.080 8.759 0.321 19637 372 1 . 1 1 87 87 GLN N N 87 116.548 116.548 122.334 -5.786 19637 373 1 . 1 1 87 87 GLN C C 87 175.495 175.495 174.116 1.379 19637 374 1 . 1 1 87 87 GLN CA C 87 53.358 53.358 54.759 -1.401 19637 375 1 . 1 1 87 87 GLN CB C 87 34.292 34.292 32.414 1.878 19637 376 1 . 1 1 87 87 GLN H H 87 9.061 9.061 8.732 0.329 19637 377 1 . 1 1 88 88 TRP N N 88 119.609 119.609 125.265 -5.656 19637 378 1 . 1 1 88 88 TRP C C 88 174.727 174.727 173.622 1.105 19637 379 1 . 1 1 88 88 TRP CA C 88 54.954 54.954 56.118 -1.164 19637 380 1 . 1 1 88 88 TRP CB C 88 30.479 30.479 32.701 -2.221 19637 381 1 . 1 1 88 88 TRP H H 88 8.893 8.893 8.661 0.232 19637 382 1 . 1 1 89 89 TYR N N 89 124.849 124.849 122.621 2.228 19637 383 1 . 1 1 89 89 TYR C C 89 176.382 176.382 173.994 2.388 19637 384 1 . 1 1 89 89 TYR CA C 89 55.042 55.042 56.699 -1.656 19637 385 1 . 1 1 89 89 TYR H H 89 8.815 8.815 8.118 0.697 19637 386 1 . 1 1 90 90 PHE N N 90 122.137 122.137 124.750 -2.613 19637 387 1 . 1 1 90 90 PHE C C 90 176.304 176.304 175.200 1.104 19637 388 1 . 1 1 90 90 PHE CA C 90 57.821 57.821 58.345 -0.524 19637 389 1 . 1 1 90 90 PHE CB C 90 38.460 38.460 39.991 -1.531 19637 390 1 . 1 1 90 90 PHE H H 90 9.171 9.171 8.460 0.711 19637 391 1 . 1 1 91 91 GLY N N 91 108.961 108.961 109.883 -0.922 19637 392 1 . 1 1 91 91 GLY C C 91 172.748 172.748 173.095 -0.347 19637 393 1 . 1 1 91 91 GLY CA C 91 44.331 44.331 45.018 -0.687 19637 394 1 . 1 1 91 91 GLY H H 91 9.342 9.342 7.939 1.403 19637 395 1 . 1 1 92 92 ASP N N 92 119.869 119.869 120.376 -0.507 19637 396 1 . 1 1 92 92 ASP C C 92 175.968 175.968 175.442 0.526 19637 397 1 . 1 1 92 92 ASP CA C 92 51.622 51.622 54.539 -2.917 19637 398 1 . 1 1 92 92 ASP CB C 92 41.563 41.563 41.669 -0.106 19637 399 1 . 1 1 92 92 ASP H H 92 8.612 8.612 8.343 0.269 19637 400 1 . 1 1 93 93 ALA N N 93 117.665 117.665 123.429 -5.764 19637 401 1 . 1 1 93 93 ALA C C 93 178.748 178.748 176.570 2.178 19637 402 1 . 1 1 93 93 ALA CA C 93 53.180 53.180 52.343 0.837 19637 403 1 . 1 1 93 93 ALA CB C 93 16.911 16.911 19.821 -2.910 19637 404 1 . 1 1 93 93 ALA H H 93 8.673 8.673 8.143 0.530 19637 405 1 . 1 1 94 94 SER N N 94 115.062 115.062 115.282 -0.220 19637 406 1 . 1 1 94 94 SER C C 94 175.348 175.348 174.085 1.262 19637 407 1 . 1 1 94 94 SER CA C 94 58.185 58.185 58.635 -0.450 19637 408 1 . 1 1 94 94 SER CB C 94 62.757 62.757 62.884 -0.127 19637 409 1 . 1 1 94 94 SER H H 94 8.902 8.902 8.380 0.522 19637 410 1 . 1 1 95 95 SER N N 95 120.754 120.754 116.623 4.131 19637 411 1 . 1 1 95 95 SER CA C 95 58.451 58.451 58.506 -0.055 19637 412 1 . 1 1 95 95 SER CB C 95 62.580 62.580 63.575 -0.995 19637 413 1 . 1 1 95 95 SER H H 95 7.922 7.922 7.967 -0.045 19637 414 1 . 1 1 96 96 LYS N N 96 120.924 120.924 118.838 2.086 19637 415 1 . 1 1 96 96 LYS CA C 96 54.599 54.599 57.253 -2.654 19637 416 1 . 1 1 96 96 LYS CB C 96 31.366 31.366 32.713 -1.347 19637 417 1 . 1 1 96 96 LYS H H 96 8.555 8.555 8.193 0.362 19637 418 1 . 1 1 97 97 PHE N N 97 117.773 117.773 115.841 1.932 19637 419 1 . 1 1 97 97 PHE CA C 97 54.688 54.688 56.089 -1.401 19637 420 1 . 1 1 97 97 PHE CB C 97 40.322 40.322 40.478 -0.156 19637 421 1 . 1 1 97 97 PHE H H 97 7.596 7.596 7.349 0.247 19637 422 1 . 1 1 98 98 ARG N N 98 120.982 120.982 121.453 -0.471 19637 423 1 . 1 1 98 98 ARG C C 98 173.047 173.047 174.202 -1.155 19637 424 1 . 1 1 98 98 ARG CA C 98 52.471 52.471 53.122 -0.651 19637 425 1 . 1 1 98 98 ARG CB C 98 31.632 31.632 31.495 0.137 19637 426 1 . 1 1 98 98 ARG H H 98 8.823 8.823 8.743 0.080 19637 427 1 . 1 1 100 100 TYR N N 100 117.775 117.775 115.774 2.001 19637 428 1 . 1 1 100 100 TYR C C 100 173.047 173.047 173.819 -0.772 19637 429 1 . 1 1 100 100 TYR CA C 100 54.954 54.954 57.126 -2.171 19637 430 1 . 1 1 100 100 TYR CB C 100 39.524 39.524 39.443 0.081 19637 431 1 . 1 1 100 100 TYR H H 100 8.885 8.885 8.342 0.543 19637 432 1 . 1 1 101 101 VAL N N 101 111.744 111.744 122.939 -11.195 19637 433 1 . 1 1 101 101 VAL C C 101 173.457 173.457 174.978 -1.521 19637 434 1 . 1 1 101 101 VAL CA C 101 57.105 57.105 60.805 -3.700 19637 435 1 . 1 1 101 101 VAL CB C 101 34.381 34.381 32.766 1.615 19637 436 1 . 1 1 101 101 VAL H H 101 8.365 8.365 8.255 0.110 19637 437 1 . 1 1 102 102 GLY N N 102 108.300 108.300 113.523 -5.223 19637 438 1 . 1 1 102 102 GLY C C 102 171.241 171.241 172.017 -0.776 19637 439 1 . 1 1 102 102 GLY CA C 102 44.972 44.972 44.400 0.572 19637 440 1 . 1 1 102 102 GLY H H 102 8.271 8.271 8.614 -0.343 19637 441 1 . 1 1 103 103 ALA N N 103 120.836 120.836 122.084 -1.248 19637 442 1 . 1 1 103 103 ALA C C 103 175.614 175.614 175.524 0.090 19637 443 1 . 1 1 103 103 ALA CA C 103 49.833 49.833 51.470 -1.637 19637 444 1 . 1 1 103 103 ALA CB C 103 21.718 21.718 21.815 -0.097 19637 445 1 . 1 1 103 103 ALA H H 103 9.048 9.048 8.313 0.736 19637 446 1 . 1 1 104 104 GLY N N 104 107.477 107.477 109.363 -1.886 19637 447 1 . 1 1 104 104 GLY C C 104 171.832 171.832 172.554 -0.722 19637 448 1 . 1 1 104 104 GLY CA C 104 46.479 46.479 44.649 1.830 19637 449 1 . 1 1 104 104 GLY H H 104 8.661 8.661 8.547 0.114 19637 450 1 . 1 1 105 105 ILE N N 105 118.575 118.575 121.117 -2.542 19637 451 1 . 1 1 105 105 ILE C C 105 172.275 172.275 174.038 -1.763 19637 452 1 . 1 1 105 105 ILE CA C 105 57.348 57.348 60.063 -2.715 19637 453 1 . 1 1 105 105 ILE CB C 105 41.652 41.652 41.085 0.567 19637 454 1 . 1 1 105 105 ILE H H 105 9.020 9.020 8.638 0.382 19637 455 1 . 1 1 106 106 ASN N N 106 123.879 123.879 125.957 -2.078 19637 456 1 . 1 1 106 106 ASN C C 106 171.418 171.418 173.820 -2.402 19637 457 1 . 1 1 106 106 ASN CA C 106 51.584 51.584 51.887 -0.303 19637 458 1 . 1 1 106 106 ASN CB C 106 40.854 40.854 40.056 0.798 19637 459 1 . 1 1 106 106 ASN H H 106 9.659 9.659 8.560 1.099 19637 460 1 . 1 1 107 107 TYR N N 107 125.744 125.744 126.557 -0.813 19637 461 1 . 1 1 107 107 TYR C C 107 173.073 173.073 175.211 -2.138 19637 462 1 . 1 1 107 107 TYR CA C 107 54.504 54.504 57.149 -2.645 19637 463 1 . 1 1 107 107 TYR CB C 107 40.854 40.854 39.439 1.415 19637 464 1 . 1 1 107 107 TYR H H 107 8.273 8.273 8.456 -0.183 19637 465 1 . 1 1 108 108 THR N N 108 119.337 119.337 121.588 -2.251 19637 466 1 . 1 1 108 108 THR C C 108 172.457 172.457 173.624 -1.167 19637 467 1 . 1 1 108 108 THR CA C 108 60.452 60.452 60.919 -0.467 19637 468 1 . 1 1 108 108 THR CB C 108 69.319 69.319 70.798 -1.479 19637 469 1 . 1 1 108 108 THR H H 108 8.446 8.446 8.853 -0.407 19637 470 1 . 1 1 109 109 THR N N 109 118.655 118.655 118.417 0.237 19637 471 1 . 1 1 109 109 THR C C 109 171.625 171.625 173.664 -2.039 19637 472 1 . 1 1 109 109 THR CA C 109 56.810 56.810 60.861 -4.051 19637 473 1 . 1 1 109 109 THR H H 109 7.548 7.548 8.380 -0.832 19637 474 1 . 1 1 112 112 ASP N N 112 116.796 116.796 119.727 -2.931 19637 475 1 . 1 1 112 112 ASP C C 112 175.490 175.490 174.865 0.625 19637 476 1 . 1 1 112 112 ASP CA C 112 53.884 53.884 54.212 -0.328 19637 477 1 . 1 1 112 112 ASP CB C 112 37.662 37.662 42.208 -4.546 19637 478 1 . 1 1 112 112 ASP H H 112 8.995 8.995 8.422 0.573 19637 479 1 . 1 1 113 113 ASN N N 113 117.801 117.801 119.210 -1.409 19637 480 1 . 1 1 113 113 ASN C C 113 175.702 175.702 175.155 0.548 19637 481 1 . 1 1 113 113 ASN CA C 113 50.736 50.736 53.542 -2.806 19637 482 1 . 1 1 113 113 ASN CB C 113 39.348 39.348 39.850 -0.502 19637 483 1 . 1 1 113 113 ASN H H 113 8.410 8.410 8.313 0.097 19637 484 1 . 1 1 114 114 GLY N N 114 107.744 107.744 108.166 -0.422 19637 485 1 . 1 1 114 114 GLY C C 114 171.979 171.979 173.961 -1.982 19637 486 1 . 1 1 114 114 GLY CA C 114 44.794 44.794 45.054 -0.260 19637 487 1 . 1 1 114 114 GLY H H 114 8.557 8.557 8.064 0.493 19637 488 1 . 1 1 115 115 PHE N N 115 119.554 119.554 120.384 -0.830 19637 489 1 . 1 1 115 115 PHE C C 115 176.192 176.192 174.267 1.926 19637 490 1 . 1 1 115 115 PHE CA C 115 57.490 57.490 58.667 -1.177 19637 491 1 . 1 1 115 115 PHE CB C 115 39.081 39.081 38.880 0.201 19637 492 1 . 1 1 115 115 PHE H H 115 8.607 8.607 8.167 0.440 19637 493 1 . 1 1 116 116 ASN N N 116 120.356 120.356 119.813 0.543 19637 494 1 . 1 1 116 116 ASN C C 116 175.407 175.407 175.172 0.235 19637 495 1 . 1 1 116 116 ASN CA C 116 50.071 50.071 52.657 -2.586 19637 496 1 . 1 1 116 116 ASN CB C 116 37.041 37.041 40.599 -3.558 19637 497 1 . 1 1 116 116 ASN H H 116 8.240 8.240 8.198 0.042 19637 498 1 . 1 1 117 117 ASP N N 117 117.610 117.610 120.409 -2.799 19637 499 1 . 1 1 117 117 ASP C C 117 178.298 178.298 178.014 0.284 19637 500 1 . 1 1 117 117 ASP CA C 117 57.348 57.348 58.101 -0.753 19637 501 1 . 1 1 117 117 ASP CB C 117 38.548 38.548 40.650 -2.102 19637 502 1 . 1 1 117 117 ASP H H 117 8.460 8.460 8.768 -0.307 19637 503 1 . 1 1 118 118 HIS N N 118 118.493 118.493 118.094 0.399 19637 504 1 . 1 1 118 118 HIS C C 118 177.821 177.821 177.361 0.460 19637 505 1 . 1 1 118 118 HIS CA C 118 56.766 56.766 58.570 -1.804 19637 506 1 . 1 1 118 118 HIS CB C 118 26.727 26.727 29.900 -3.173 19637 507 1 . 1 1 118 118 HIS H H 118 8.185 8.185 8.362 -0.177 19637 508 1 . 1 1 119 119 GLY N N 119 107.937 107.937 107.190 0.747 19637 509 1 . 1 1 119 119 GLY C C 119 175.082 175.082 176.079 -0.997 19637 510 1 . 1 1 119 119 GLY CA C 119 46.612 46.612 46.926 -0.314 19637 511 1 . 1 1 119 119 GLY H H 119 8.788 8.788 8.611 0.177 19637 512 1 . 1 1 120 120 LYS N N 120 122.898 122.898 122.403 0.495 19637 513 1 . 1 1 120 120 LYS C C 120 181.612 181.612 179.441 2.171 19637 514 1 . 1 1 120 120 LYS CA C 120 58.717 58.717 59.249 -0.532 19637 515 1 . 1 1 120 120 LYS CB C 120 30.656 30.656 32.313 -1.657 19637 516 1 . 1 1 120 120 LYS H H 120 8.890 8.890 8.446 0.444 19637 517 1 . 1 1 121 121 GLU N N 121 120.995 120.995 118.835 2.160 19637 518 1 . 1 1 121 121 GLU C C 121 177.327 177.327 176.958 0.369 19637 519 1 . 1 1 121 121 GLU CA C 121 57.653 57.653 58.280 -0.627 19637 520 1 . 1 1 121 121 GLU CB C 121 27.730 27.730 29.416 -1.686 19637 521 1 . 1 1 121 121 GLU H H 121 8.234 8.234 7.840 0.394 19637 522 1 . 1 1 122 122 ALA N N 122 119.811 119.811 119.472 0.339 19637 523 1 . 1 1 122 122 ALA C C 122 176.500 176.500 177.590 -1.090 19637 524 1 . 1 1 122 122 ALA CA C 122 51.042 51.042 51.524 -0.482 19637 525 1 . 1 1 122 122 ALA CB C 122 16.710 16.710 19.395 -2.685 19637 526 1 . 1 1 122 122 ALA H H 122 7.259 7.259 7.381 -0.122 19637 527 1 . 1 1 123 123 GLY N N 123 103.863 103.863 106.854 -2.991 19637 528 1 . 1 1 123 123 GLY C C 123 175.082 175.082 173.834 1.248 19637 529 1 . 1 1 123 123 GLY CA C 123 44.264 44.264 45.550 -1.286 19637 530 1 . 1 1 123 123 GLY H H 123 7.745 7.745 7.801 -0.056 19637 531 1 . 1 1 124 124 LEU N N 124 123.722 123.722 119.038 4.684 19637 532 1 . 1 1 124 124 LEU C C 124 176.293 176.293 175.712 0.581 19637 533 1 . 1 1 124 124 LEU CA C 124 53.269 53.269 53.953 -0.684 19637 534 1 . 1 1 124 124 LEU CB C 124 38.016 38.016 43.476 -5.460 19637 535 1 . 1 1 124 124 LEU H H 124 7.461 7.461 7.901 -0.440 19637 536 1 . 1 1 125 125 SER N N 125 114.112 114.112 116.602 -2.490 19637 537 1 . 1 1 125 125 SER C C 125 173.250 173.250 173.889 -0.639 19637 538 1 . 1 1 125 125 SER CA C 125 57.259 57.259 58.821 -1.562 19637 539 1 . 1 1 125 125 SER CB C 125 65.684 65.684 64.054 1.630 19637 540 1 . 1 1 125 125 SER H H 125 8.809 8.809 8.591 0.218 19637 541 1 . 1 1 126 126 ASP N N 126 117.817 117.817 121.565 -3.748 19637 542 1 . 1 1 126 126 ASP C C 126 174.107 174.107 175.955 -1.848 19637 543 1 . 1 1 126 126 ASP CA C 126 54.593 54.593 55.231 -0.638 19637 544 1 . 1 1 126 126 ASP CB C 126 38.726 38.726 40.654 -1.928 19637 545 1 . 1 1 126 126 ASP H H 126 9.035 9.035 8.494 0.540 19637 546 1 . 1 1 127 127 LEU N N 127 120.160 120.160 119.771 0.389 19637 547 1 . 1 1 127 127 LEU C C 127 176.726 176.726 175.840 0.886 19637 548 1 . 1 1 127 127 LEU CA C 127 54.371 54.371 55.870 -1.499 19637 549 1 . 1 1 127 127 LEU CB C 127 40.322 40.322 42.929 -2.607 19637 550 1 . 1 1 127 127 LEU H H 127 8.109 8.109 7.958 0.151 19637 551 1 . 1 1 128 128 SER N N 128 120.909 120.909 113.225 7.684 19637 552 1 . 1 1 128 128 SER C C 128 172.038 172.038 173.405 -1.366 19637 553 1 . 1 1 128 128 SER CA C 128 57.120 57.120 58.360 -1.240 19637 554 1 . 1 1 128 128 SER CB C 128 64.353 64.353 64.106 0.247 19637 555 1 . 1 1 128 128 SER H H 128 9.499 9.499 8.185 1.314 19637 556 1 . 1 1 129 129 LEU N N 129 122.260 122.260 122.785 -0.525 19637 557 1 . 1 1 129 129 LEU C C 129 176.411 176.411 176.318 0.093 19637 558 1 . 1 1 129 129 LEU CA C 129 53.839 53.839 55.052 -1.213 19637 559 1 . 1 1 129 129 LEU CB C 129 42.539 42.539 43.423 -0.884 19637 560 1 . 1 1 129 129 LEU H H 129 8.182 8.182 8.351 -0.169 19637 561 1 . 1 1 130 130 LYS N N 130 122.490 122.490 123.273 -0.783 19637 562 1 . 1 1 130 130 LYS C C 130 176.754 176.754 175.560 1.194 19637 563 1 . 1 1 130 130 LYS CA C 130 55.042 55.042 55.387 -0.345 19637 564 1 . 1 1 130 130 LYS CB C 130 32.518 32.518 33.923 -1.405 19637 565 1 . 1 1 130 130 LYS H H 130 7.536 7.536 8.459 -0.923 19637 566 1 . 1 1 131 131 ASP N N 131 123.217 123.217 119.497 3.720 19637 567 1 . 1 1 131 131 ASP C C 131 175.998 175.998 175.484 0.514 19637 568 1 . 1 1 131 131 ASP CA C 131 54.460 54.460 55.085 -0.625 19637 569 1 . 1 1 131 131 ASP CB C 131 40.233 40.233 40.880 -0.647 19637 570 1 . 1 1 131 131 ASP H H 131 8.782 8.782 8.381 0.401 19637 571 1 . 1 1 132 132 SER N N 132 115.445 115.445 115.761 -0.316 19637 572 1 . 1 1 132 132 SER C C 132 171.920 171.920 173.209 -1.289 19637 573 1 . 1 1 132 132 SER CA C 132 55.790 55.790 57.633 -1.843 19637 574 1 . 1 1 132 132 SER CB C 132 64.087 64.087 64.493 -0.405 19637 575 1 . 1 1 132 132 SER H H 132 9.016 9.016 8.427 0.589 19637 576 1 . 1 1 133 133 TRP N N 133 124.389 124.389 123.961 0.428 19637 577 1 . 1 1 133 133 TRP C C 133 178.243 178.243 175.376 2.867 19637 578 1 . 1 1 133 133 TRP CA C 133 55.309 55.309 54.746 0.563 19637 579 1 . 1 1 133 133 TRP CB C 133 31.401 31.401 31.005 0.396 19637 580 1 . 1 1 133 133 TRP H H 133 7.896 7.896 7.966 -0.070 19637 581 1 . 1 1 134 134 GLY N N 134 107.658 107.658 109.893 -2.235 19637 582 1 . 1 1 134 134 GLY C C 134 171.123 171.123 172.484 -1.361 19637 583 1 . 1 1 134 134 GLY CA C 134 44.750 44.750 44.565 0.185 19637 584 1 . 1 1 134 134 GLY H H 134 8.896 8.896 8.549 0.347 19637 585 1 . 1 1 135 135 ALA N N 135 122.244 122.244 124.031 -1.787 19637 586 1 . 1 1 135 135 ALA C C 135 174.875 174.875 175.845 -0.970 19637 587 1 . 1 1 135 135 ALA CA C 135 51.141 51.141 51.186 -0.045 19637 588 1 . 1 1 135 135 ALA CB C 135 19.306 19.306 20.944 -1.638 19637 589 1 . 1 1 135 135 ALA H H 135 8.946 8.946 8.305 0.641 19637 590 1 . 1 1 136 136 ALA N N 136 118.579 118.579 123.412 -4.833 19637 591 1 . 1 1 136 136 ALA C C 136 175.434 175.434 175.754 -0.320 19637 592 1 . 1 1 136 136 ALA CA C 136 49.494 49.494 51.344 -1.850 19637 593 1 . 1 1 136 136 ALA CB C 136 23.207 23.207 21.606 1.601 19637 594 1 . 1 1 136 136 ALA H H 136 8.111 8.111 8.228 -0.117 19637 595 1 . 1 1 137 137 GLY N N 137 105.005 105.005 107.720 -2.715 19637 596 1 . 1 1 137 137 GLY C C 137 171.300 171.300 173.211 -1.911 19637 597 1 . 1 1 137 137 GLY CA C 137 43.182 43.182 44.860 -1.678 19637 598 1 . 1 1 137 137 GLY H H 137 8.933 8.933 8.289 0.644 19637 599 1 . 1 1 138 138 GLN N N 138 115.695 115.695 121.975 -6.280 19637 600 1 . 1 1 138 138 GLN CA C 138 53.263 53.263 54.624 -1.362 19637 601 1 . 1 1 138 138 GLN H H 138 8.559 8.559 8.263 0.296 19637 602 1 . 1 1 140 140 GLY N N 140 110.307 110.307 113.533 -3.226 19637 603 1 . 1 1 140 140 GLY C C 140 171.329 171.329 172.086 -0.757 19637 604 1 . 1 1 140 140 GLY CA C 140 44.617 44.617 44.067 0.550 19637 605 1 . 1 1 140 140 GLY H H 140 7.936 7.936 8.373 -0.437 19637 606 1 . 1 1 141 141 VAL N N 141 112.233 112.233 117.949 -5.716 19637 607 1 . 1 1 141 141 VAL C C 141 171.979 171.979 173.785 -1.806 19637 608 1 . 1 1 141 141 VAL CA C 141 59.914 59.914 60.297 -0.383 19637 609 1 . 1 1 141 141 VAL CB C 141 33.937 33.937 35.173 -1.236 19637 610 1 . 1 1 141 141 VAL H H 141 8.646 8.646 8.453 0.193 19637 611 1 . 1 1 142 142 ASP N N 142 122.520 122.520 125.709 -3.189 19637 612 1 . 1 1 142 142 ASP C C 142 175.259 175.259 174.372 0.887 19637 613 1 . 1 1 142 142 ASP CA C 142 51.711 51.711 52.755 -1.045 19637 614 1 . 1 1 142 142 ASP CB C 142 43.780 43.780 44.485 -0.705 19637 615 1 . 1 1 142 142 ASP H H 142 7.402 7.402 8.584 -1.182 19637 616 1 . 1 1 143 143 TYR N N 143 122.331 122.331 123.018 -0.687 19637 617 1 . 1 1 143 143 TYR C C 143 173.870 173.870 174.396 -0.526 19637 618 1 . 1 1 143 143 TYR CA C 143 54.948 54.948 56.988 -2.040 19637 619 1 . 1 1 143 143 TYR CB C 143 40.765 40.765 41.220 -0.455 19637 620 1 . 1 1 143 143 TYR H H 143 9.396 9.396 8.690 0.706 19637 621 1 . 1 1 144 144 LEU N N 144 130.341 130.341 125.733 4.608 19637 622 1 . 1 1 144 144 LEU C C 144 174.786 174.786 175.998 -1.212 19637 623 1 . 1 1 144 144 LEU CA C 144 55.524 55.524 55.011 0.513 19637 624 1 . 1 1 144 144 LEU CB C 144 40.677 40.677 42.060 -1.383 19637 625 1 . 1 1 144 144 LEU H H 144 8.313 8.313 8.536 -0.223 19637 626 1 . 1 1 145 145 ILE N N 145 124.602 124.602 123.075 1.527 19637 627 1 . 1 1 145 145 ILE C C 145 177.593 177.593 175.774 1.819 19637 628 1 . 1 1 145 145 ILE CA C 145 60.097 60.097 62.389 -2.292 19637 629 1 . 1 1 145 145 ILE CB C 145 36.864 36.864 38.353 -1.490 19637 630 1 . 1 1 145 145 ILE H H 145 8.809 8.809 8.376 0.433 19637 631 1 . 1 1 146 146 ASN N N 146 118.348 118.348 118.137 0.211 19637 632 1 . 1 1 146 146 ASN CA C 146 51.318 51.318 52.809 -1.491 19637 633 1 . 1 1 146 146 ASN CB C 146 36.952 36.952 39.650 -2.698 19637 634 1 . 1 1 146 146 ASN H H 146 8.362 8.362 8.223 0.139 19637 635 1 . 1 1 147 147 ARG N N 147 113.940 113.940 118.900 -4.960 19637 636 1 . 1 1 147 147 ARG C C 147 176.470 176.470 175.630 0.840 19637 637 1 . 1 1 147 147 ARG CA C 147 58.584 58.584 58.233 0.351 19637 638 1 . 1 1 147 147 ARG CB C 147 28.705 28.705 30.002 -1.297 19637 639 1 . 1 1 147 147 ARG H H 147 8.072 8.072 8.414 -0.342 19637 640 1 . 1 1 148 148 ASP N N 148 112.938 112.938 117.094 -4.156 19637 641 1 . 1 1 148 148 ASP C C 148 174.373 174.373 174.593 -0.220 19637 642 1 . 1 1 148 148 ASP CA C 148 54.327 54.327 54.118 0.209 19637 643 1 . 1 1 148 148 ASP CB C 148 42.628 42.628 42.045 0.583 19637 644 1 . 1 1 148 148 ASP H H 148 7.668 7.668 8.103 -0.435 19637 645 1 . 1 1 149 149 TRP N N 149 116.148 116.148 117.416 -1.268 19637 646 1 . 1 1 149 149 TRP C C 149 175.574 175.574 174.306 1.268 19637 647 1 . 1 1 149 149 TRP CA C 149 55.486 55.486 55.733 -0.247 19637 648 1 . 1 1 149 149 TRP CB C 149 31.720 31.720 30.701 1.019 19637 649 1 . 1 1 149 149 TRP H H 149 7.788 7.788 7.463 0.326 19637 650 1 . 1 1 150 150 LEU N N 150 118.106 118.106 118.779 -0.673 19637 651 1 . 1 1 150 150 LEU C C 150 175.141 175.141 175.433 -0.292 19637 652 1 . 1 1 150 150 LEU CA C 150 52.155 52.155 53.626 -1.471 19637 653 1 . 1 1 150 150 LEU CB C 150 44.401 44.401 44.869 -0.468 19637 654 1 . 1 1 150 150 LEU H H 150 9.306 9.306 8.900 0.406 19637 655 1 . 1 1 151 151 VAL N N 151 115.211 115.211 117.626 -2.415 19637 656 1 . 1 1 151 151 VAL C C 151 173.524 173.524 173.870 -0.346 19637 657 1 . 1 1 151 151 VAL CA C 151 59.299 59.299 60.991 -1.692 19637 658 1 . 1 1 151 151 VAL CB C 151 33.849 33.849 34.797 -0.948 19637 659 1 . 1 1 151 151 VAL H H 151 9.293 9.293 8.590 0.703 19637 660 1 . 1 1 152 152 ASN N N 152 124.526 124.526 125.118 -0.592 19637 661 1 . 1 1 152 152 ASN CA C 152 51.755 51.755 52.547 -0.792 19637 662 1 . 1 1 152 152 ASN CB C 152 42.628 42.628 42.138 0.490 19637 663 1 . 1 1 152 152 ASN H H 152 8.893 8.893 8.983 -0.090 19637 664 1 . 1 1 153 153 MET N N 153 118.533 118.533 122.152 -3.619 19637 665 1 . 1 1 153 153 MET C C 153 173.987 173.987 173.992 -0.005 19637 666 1 . 1 1 153 153 MET CA C 153 54.017 54.017 55.086 -1.069 19637 667 1 . 1 1 153 153 MET CB C 153 36.243 36.243 36.746 -0.503 19637 668 1 . 1 1 153 153 MET H H 153 8.003 8.003 8.939 -0.936 19637 669 1 . 1 1 154 154 SER N N 154 113.225 113.225 117.394 -4.169 19637 670 1 . 1 1 154 154 SER C C 154 172.120 172.120 172.688 -0.568 19637 671 1 . 1 1 154 154 SER CA C 154 56.550 56.550 57.464 -0.914 19637 672 1 . 1 1 154 154 SER CB C 154 64.619 64.619 65.927 -1.308 19637 673 1 . 1 1 154 154 SER H H 154 9.191 9.191 8.843 0.348 19637 674 1 . 1 1 155 155 VAL N N 155 119.543 119.543 118.055 1.488 19637 675 1 . 1 1 155 155 VAL C C 155 173.973 173.973 174.198 -0.226 19637 676 1 . 1 1 155 155 VAL CA C 155 59.382 59.382 60.873 -1.491 19637 677 1 . 1 1 155 155 VAL H H 155 9.190 9.190 8.135 1.055 19637 678 1 . 1 1 156 156 TRP N N 156 124.596 124.596 123.251 1.345 19637 679 1 . 1 1 156 156 TRP C C 156 175.237 175.237 174.923 0.314 19637 680 1 . 1 1 156 156 TRP CA C 156 53.263 53.263 56.556 -3.293 19637 681 1 . 1 1 156 156 TRP CB C 156 33.228 33.228 31.726 1.502 19637 682 1 . 1 1 156 156 TRP H H 156 9.883 9.883 8.167 1.716 19637 683 1 . 1 1 160 160 ILE N N 160 123.211 123.211 118.838 4.373 19637 684 1 . 1 1 160 160 ILE C C 160 173.545 173.545 174.047 -0.502 19637 685 1 . 1 1 160 160 ILE CA C 160 60.269 60.269 60.376 -0.107 19637 686 1 . 1 1 160 160 ILE H H 160 7.948 7.948 8.050 -0.102 19637 687 1 . 1 1 161 161 ASP N N 161 128.357 128.357 125.720 2.637 19637 688 1 . 1 1 161 161 ASP CA C 161 52.421 52.421 53.574 -1.153 19637 689 1 . 1 1 161 161 ASP CB C 161 41.830 41.830 42.162 -0.332 19637 690 1 . 1 1 161 161 ASP H H 161 8.302 8.302 8.413 -0.111 19637 691 1 . 1 1 162 162 THR N N 162 117.472 117.472 117.945 -0.473 19637 692 1 . 1 1 162 162 THR CA C 162 57.259 57.259 61.063 -3.804 19637 693 1 . 1 1 162 162 THR CB C 162 68.167 68.167 71.303 -3.136 19637 694 1 . 1 1 162 162 THR H H 162 8.788 8.788 8.197 0.591 19637 695 1 . 1 1 163 163 THR N N 163 120.189 120.189 119.571 0.618 19637 696 1 . 1 1 163 163 THR CA C 163 60.629 60.629 61.421 -0.792 19637 697 1 . 1 1 163 163 THR CB C 163 68.278 68.278 70.041 -1.763 19637 698 1 . 1 1 163 163 THR H H 163 8.429 8.429 8.614 -0.186 19637 699 1 . 1 1 164 164 ALA N N 164 127.991 127.991 127.234 0.757 19637 700 1 . 1 1 164 164 ALA C C 164 174.993 174.993 175.609 -0.616 19637 701 1 . 1 1 164 164 ALA CA C 164 49.190 49.190 50.584 -1.394 19637 702 1 . 1 1 164 164 ALA CB C 164 18.951 18.951 21.658 -2.707 19637 703 1 . 1 1 164 164 ALA H H 164 9.428 9.428 8.794 0.634 19637 704 1 . 1 1 165 165 ASN N N 165 122.214 122.214 123.034 -0.820 19637 705 1 . 1 1 165 165 ASN C C 165 173.047 173.047 173.456 -0.409 19637 706 1 . 1 1 165 165 ASN CA C 165 51.141 51.141 52.805 -1.664 19637 707 1 . 1 1 165 165 ASN CB C 165 40.056 40.056 40.748 -0.692 19637 708 1 . 1 1 165 165 ASN H H 165 9.216 9.216 8.524 0.692 19637 709 1 . 1 1 166 166 TYR N N 166 116.330 116.330 119.685 -3.355 19637 710 1 . 1 1 166 166 TYR C C 166 172.260 172.260 173.834 -1.574 19637 711 1 . 1 1 166 166 TYR CA C 166 55.397 55.397 56.374 -0.977 19637 712 1 . 1 1 166 166 TYR CB C 166 37.662 37.662 40.282 -2.620 19637 713 1 . 1 1 166 166 TYR H H 166 7.816 7.816 8.209 -0.393 19637 714 1 . 1 1 167 167 LYS N N 167 117.734 117.734 123.228 -5.494 19637 715 1 . 1 1 167 167 LYS C C 167 174.760 174.760 174.687 0.073 19637 716 1 . 1 1 167 167 LYS CA C 167 53.751 53.751 55.128 -1.377 19637 717 1 . 1 1 167 167 LYS CB C 167 34.381 34.381 34.799 -0.418 19637 718 1 . 1 1 167 167 LYS H H 167 9.100 9.100 8.579 0.521 19637 719 1 . 1 1 168 168 LEU N N 168 121.623 121.623 124.435 -2.812 19637 720 1 . 1 1 168 168 LEU C C 168 177.877 177.877 177.130 0.747 19637 721 1 . 1 1 168 168 LEU CA C 168 52.509 52.509 54.356 -1.847 19637 722 1 . 1 1 168 168 LEU CB C 168 42.894 42.894 42.685 0.209 19637 723 1 . 1 1 168 168 LEU H H 168 8.372 8.372 8.510 -0.138 19637 724 1 . 1 1 169 169 GLY N N 169 119.264 119.264 111.688 7.576 19637 725 1 . 1 1 169 169 GLY C C 169 175.602 175.602 174.913 0.689 19637 726 1 . 1 1 169 169 GLY CA C 169 46.257 46.257 45.131 1.126 19637 727 1 . 1 1 169 169 GLY H H 169 9.603 9.603 8.702 0.901 19637 728 1 . 1 1 170 170 GLY N N 170 104.659 104.659 106.510 -1.851 19637 729 1 . 1 1 170 170 GLY C C 170 172.570 172.570 173.564 -0.994 19637 730 1 . 1 1 170 170 GLY CA C 170 44.040 44.040 45.003 -0.963 19637 731 1 . 1 1 170 170 GLY H H 170 8.381 8.381 8.271 0.110 19637 732 1 . 1 1 171 171 ALA N N 171 123.570 123.570 122.537 1.033 19637 733 1 . 1 1 171 171 ALA C C 171 177.569 177.569 176.312 1.257 19637 734 1 . 1 1 171 171 ALA CA C 171 49.893 49.893 51.108 -1.215 19637 735 1 . 1 1 171 171 ALA CB C 171 18.330 18.330 20.261 -1.931 19637 736 1 . 1 1 171 171 ALA H H 171 7.650 7.650 7.760 -0.110 19637 737 1 . 1 1 172 172 GLN N N 172 124.057 124.057 122.065 1.992 19637 738 1 . 1 1 172 172 GLN C C 172 174.869 174.869 175.341 -0.472 19637 739 1 . 1 1 172 172 GLN CA C 172 56.018 56.018 55.464 0.554 19637 740 1 . 1 1 172 172 GLN CB C 172 28.173 28.173 28.217 -0.044 19637 741 1 . 1 1 172 172 GLN H H 172 8.840 8.840 8.589 0.251 19637 742 1 . 1 1 173 173 GLN N N 173 124.328 124.328 124.455 -0.127 19637 743 1 . 1 1 173 173 GLN C C 173 174.953 174.953 174.416 0.537 19637 744 1 . 1 1 173 173 GLN CA C 173 52.155 52.155 55.121 -2.966 19637 745 1 . 1 1 173 173 GLN CB C 173 29.415 29.415 30.648 -1.233 19637 746 1 . 1 1 173 173 GLN H H 173 9.023 9.023 8.171 0.852 19637 747 1 . 1 1 174 174 HIS N N 174 115.629 115.629 115.876 -0.247 19637 748 1 . 1 1 174 174 HIS C C 174 173.103 173.103 173.269 -0.166 19637 749 1 . 1 1 174 174 HIS CA C 174 53.446 53.446 54.974 -1.528 19637 750 1 . 1 1 174 174 HIS CB C 174 29.681 29.681 31.189 -1.508 19637 751 1 . 1 1 174 174 HIS H H 174 8.227 8.227 8.159 0.068 19637 752 1 . 1 1 175 175 ASP N N 175 120.615 120.615 123.234 -2.619 19637 753 1 . 1 1 175 175 ASP C C 175 175.013 175.013 175.192 -0.179 19637 754 1 . 1 1 175 175 ASP CA C 175 52.731 52.731 53.262 -0.531 19637 755 1 . 1 1 175 175 ASP CB C 175 45.111 45.111 44.112 0.999 19637 756 1 . 1 1 175 175 ASP H H 175 8.964 8.964 8.535 0.429 19637 757 1 . 1 1 176 176 SER N N 176 118.175 118.175 118.526 -0.351 19637 758 1 . 1 1 176 176 SER C C 176 173.496 173.496 174.482 -0.986 19637 759 1 . 1 1 176 176 SER CA C 176 57.697 57.697 57.967 -0.270 19637 760 1 . 1 1 176 176 SER CB C 176 62.757 62.757 63.735 -0.978 19637 761 1 . 1 1 176 176 SER H H 176 9.137 9.137 8.586 0.551 19637 762 1 . 1 1 177 177 VAL N N 177 123.737 123.737 125.971 -2.234 19637 763 1 . 1 1 177 177 VAL C C 177 173.398 173.398 174.927 -1.529 19637 764 1 . 1 1 177 177 VAL CA C 177 60.277 60.277 62.020 -1.743 19637 765 1 . 1 1 177 177 VAL CB C 177 32.518 32.518 32.119 0.399 19637 766 1 . 1 1 177 177 VAL H H 177 8.492 8.492 8.540 -0.048 19637 767 1 . 1 1 178 178 ARG N N 178 127.628 127.628 126.123 1.505 19637 768 1 . 1 1 178 178 ARG C C 178 175.097 175.097 174.903 0.194 19637 769 1 . 1 1 178 178 ARG CA C 178 54.017 54.017 54.997 -0.980 19637 770 1 . 1 1 178 178 ARG CB C 178 29.149 29.149 31.468 -2.319 19637 771 1 . 1 1 178 178 ARG H H 178 8.513 8.513 8.218 0.295 19637 772 1 . 1 1 182 182 TRP N N 182 115.616 115.616 119.108 -3.492 19637 773 1 . 1 1 182 182 TRP C C 182 176.613 176.613 174.930 1.683 19637 774 1 . 1 1 182 182 TRP CA C 182 55.228 55.228 56.237 -1.009 19637 775 1 . 1 1 182 182 TRP CB C 182 31.809 31.809 30.135 1.674 19637 776 1 . 1 1 182 182 TRP H H 182 7.491 7.491 8.108 -0.617 19637 777 1 . 1 1 183 183 VAL N N 183 121.618 121.618 118.630 2.988 19637 778 1 . 1 1 183 183 VAL CA C 183 58.628 58.628 60.573 -1.946 19637 779 1 . 1 1 183 183 VAL CB C 183 32.696 32.696 34.767 -2.071 19637 780 1 . 1 1 183 183 VAL H H 183 9.372 9.372 8.350 1.022 19637 781 1 . 1 1 185 185 MET N N 185 129.032 129.032 125.166 3.866 19637 782 1 . 1 1 185 185 MET C C 185 172.186 172.186 174.192 -2.006 19637 783 1 . 1 1 185 185 MET CA C 185 53.091 53.091 54.519 -1.428 19637 784 1 . 1 1 185 185 MET CB C 185 33.405 33.405 34.853 -1.448 19637 785 1 . 1 1 185 185 MET H H 185 9.615 9.615 8.621 0.994 19637 786 1 . 1 1 186 186 PHE N N 186 124.085 124.085 122.082 2.003 19637 787 1 . 1 1 186 186 PHE C C 186 174.816 174.816 173.549 1.267 19637 788 1 . 1 1 186 186 PHE CA C 186 55.131 55.131 56.276 -1.145 19637 789 1 . 1 1 186 186 PHE CB C 186 40.588 40.588 41.678 -1.089 19637 790 1 . 1 1 186 186 PHE H H 186 7.976 7.976 8.231 -0.255 19637 791 1 . 1 1 187 187 SER N N 187 116.369 116.369 116.838 -0.469 19637 792 1 . 1 1 187 187 SER C C 187 171.305 171.305 172.466 -1.161 19637 793 1 . 1 1 187 187 SER CA C 187 57.348 57.348 57.417 -0.069 19637 794 1 . 1 1 187 187 SER CB C 187 66.127 66.127 66.198 -0.071 19637 795 1 . 1 1 187 187 SER H H 187 9.355 9.355 8.894 0.461 19637 796 1 . 1 1 188 188 ALA N N 188 119.248 119.248 122.820 -3.572 19637 797 1 . 1 1 188 188 ALA C C 188 175.996 175.996 176.379 -0.383 19637 798 1 . 1 1 188 188 ALA CA C 188 49.085 49.085 50.957 -1.872 19637 799 1 . 1 1 188 188 ALA CB C 188 21.079 21.079 20.968 0.111 19637 800 1 . 1 1 188 188 ALA H H 188 8.300 8.300 8.362 -0.062 19637 801 1 . 1 1 189 189 GLY N N 189 104.914 104.914 106.860 -1.946 19637 802 1 . 1 1 189 189 GLY C C 189 170.650 170.650 172.321 -1.671 19637 803 1 . 1 1 189 189 GLY CA C 189 44.046 44.046 45.257 -1.210 19637 804 1 . 1 1 189 189 GLY H H 189 9.235 9.235 8.280 0.955 19637 805 1 . 1 1 190 190 TYR N N 190 121.149 121.149 122.385 -1.236 19637 806 1 . 1 1 190 190 TYR C C 190 173.608 173.608 174.437 -0.829 19637 807 1 . 1 1 190 190 TYR CA C 190 55.131 55.131 56.028 -0.897 19637 808 1 . 1 1 190 190 TYR CB C 190 42.362 42.362 42.414 -0.052 19637 809 1 . 1 1 190 190 TYR H H 190 8.865 8.865 8.702 0.163 19637 810 1 . 1 1 191 191 ARG N N 191 125.697 125.697 123.976 1.721 19637 811 1 . 1 1 191 191 ARG CA C 191 53.529 53.529 56.368 -2.839 19637 812 1 . 1 1 191 191 ARG CB C 191 29.947 29.947 30.386 -0.439 19637 813 1 . 1 1 191 191 ARG H H 191 7.469 7.469 8.376 -0.907 19637 stop_ save_