data_19298 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19298 _Entry.PDB_ID 2M9K 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 19298 _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 27 27 GLU HA H 27 4.366 4.366 4.361 0.005 19298 2 1 1 . 1 1 27 27 GLU C C 27 176.230 176.230 176.583 -0.353 19298 3 1 1 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.350 -0.110 19298 4 1 1 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.432 0.288 19298 5 1 1 . 1 1 28 28 GLU N N 28 122.500 122.500 123.353 -0.853 19298 6 1 1 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.063 0.199 19298 7 1 1 . 1 1 28 28 GLU C C 28 175.860 175.860 176.004 -0.144 19298 8 1 1 . 1 1 28 28 GLU CA C 28 56.360 56.360 57.126 -0.765 19298 9 1 1 . 1 1 28 28 GLU CB C 28 30.510 30.510 30.372 0.138 19298 10 1 1 . 1 1 28 28 GLU H H 28 8.521 8.521 8.580 -0.059 19298 11 1 1 . 1 1 29 29 GLU N N 29 123.290 123.290 123.562 -0.272 19298 12 1 1 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.218 0.013 19298 13 1 1 . 1 1 29 29 GLU C C 29 176.740 176.740 175.540 1.200 19298 14 1 1 . 1 1 29 29 GLU CA C 29 56.360 56.360 56.209 0.151 19298 15 1 1 . 1 1 29 29 GLU CB C 29 30.840 30.840 28.287 2.553 19298 16 1 1 . 1 1 29 29 GLU H H 29 8.521 8.521 8.767 -0.246 19298 17 1 1 . 1 1 30 30 VAL N N 30 125.640 125.640 125.277 0.363 19298 18 1 1 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.235 -0.428 19298 19 1 1 . 1 1 30 30 VAL C C 30 175.110 175.110 176.358 -1.248 19298 20 1 1 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.428 2.652 19298 21 1 1 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.546 -0.215 19298 22 1 1 . 1 1 30 30 VAL H H 30 8.715 8.715 7.790 0.925 19298 23 1 1 . 1 1 31 31 ARG N N 31 124.730 124.730 126.680 -1.950 19298 24 1 1 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.482 0.192 19298 25 1 1 . 1 1 31 31 ARG C C 31 172.600 172.600 175.457 -2.857 19298 26 1 1 . 1 1 31 31 ARG CA C 31 54.580 54.580 56.706 -2.127 19298 27 1 1 . 1 1 31 31 ARG CB C 31 29.750 29.750 30.525 -0.775 19298 28 1 1 . 1 1 31 31 ARG H H 31 9.378 9.378 8.696 0.682 19298 29 1 1 . 1 1 32 32 THR N N 32 115.380 115.380 115.335 0.045 19298 30 1 1 . 1 1 32 32 THR HA H 32 5.471 5.471 5.595 -0.124 19298 31 1 1 . 1 1 32 32 THR C C 32 173.810 173.810 173.196 0.614 19298 32 1 1 . 1 1 32 32 THR CA C 32 61.250 61.250 61.108 0.142 19298 33 1 1 . 1 1 32 32 THR CB C 32 71.360 71.360 72.067 -0.707 19298 34 1 1 . 1 1 32 32 THR H H 32 7.144 7.144 7.678 -0.534 19298 35 1 1 . 1 1 33 33 LEU N N 33 124.600 124.600 125.806 -1.206 19298 36 1 1 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.266 -0.339 19298 37 1 1 . 1 1 33 33 LEU C C 33 174.960 174.960 175.414 -0.454 19298 38 1 1 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.498 -0.608 19298 39 1 1 . 1 1 33 33 LEU CB C 33 44.910 44.910 45.446 -0.536 19298 40 1 1 . 1 1 33 33 LEU H H 33 9.701 9.701 9.453 0.248 19298 41 1 1 . 1 1 34 34 PHE N N 34 122.600 122.600 120.478 2.122 19298 42 1 1 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.162 -0.073 19298 43 1 1 . 1 1 34 34 PHE C C 34 174.530 174.530 174.080 0.450 19298 44 1 1 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.033 0.707 19298 45 1 1 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.449 1.961 19298 46 1 1 . 1 1 34 34 PHE H H 34 9.411 9.411 9.260 0.151 19298 47 1 1 . 1 1 35 35 VAL N N 35 127.050 127.050 127.769 -0.719 19298 48 1 1 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.743 -0.017 19298 49 1 1 . 1 1 35 35 VAL C C 35 173.520 173.520 175.642 -2.122 19298 50 1 1 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.290 -0.640 19298 51 1 1 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.000 2.170 19298 52 1 1 . 1 1 35 35 VAL H H 35 8.878 8.878 8.545 0.333 19298 53 1 1 . 1 1 36 36 SER N N 36 120.260 120.260 122.676 -2.416 19298 54 1 1 . 1 1 36 36 SER HA H 36 4.876 4.876 4.875 0.001 19298 55 1 1 . 1 1 36 36 SER C C 36 173.170 173.170 174.938 -1.768 19298 56 1 1 . 1 1 36 36 SER CA C 36 56.700 56.700 56.537 0.163 19298 57 1 1 . 1 1 36 36 SER CB C 36 65.440 65.440 65.634 -0.194 19298 58 1 1 . 1 1 36 36 SER H H 36 8.964 8.964 8.996 -0.032 19298 59 1 1 . 1 1 37 37 GLY N N 37 108.690 108.690 107.717 0.973 19298 60 1 1 . 1 1 37 37 GLY C C 37 174.150 174.150 173.677 0.473 19298 61 1 1 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.298 0.231 19298 62 1 1 . 1 1 37 37 GLY H H 37 8.567 8.567 8.524 0.043 19298 63 1 1 . 1 1 38 38 LEU N N 38 118.640 118.640 121.349 -2.709 19298 64 1 1 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.087 -0.186 19298 65 1 1 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.739 -0.329 19298 66 1 1 . 1 1 38 38 LEU H H 38 7.426 7.426 7.441 -0.015 19298 67 1 1 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.258 0.292 19298 68 1 1 . 1 1 39 39 PRO C C 39 177.540 177.540 177.859 -0.319 19298 69 1 1 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.851 -0.721 19298 70 1 1 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.338 -0.128 19298 71 1 1 . 1 1 40 40 VAL N N 40 114.990 114.990 121.510 -6.520 19298 72 1 1 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.827 -0.143 19298 73 1 1 . 1 1 40 40 VAL C C 40 175.650 175.650 175.476 0.174 19298 74 1 1 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.494 -0.034 19298 75 1 1 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.946 -0.216 19298 76 1 1 . 1 1 40 40 VAL H H 40 8.311 8.311 8.569 -0.258 19298 77 1 1 . 1 1 41 41 ASP N N 41 117.410 117.410 118.802 -1.392 19298 78 1 1 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.765 -0.081 19298 79 1 1 . 1 1 41 41 ASP C C 41 176.140 176.140 175.279 0.861 19298 80 1 1 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.615 -0.815 19298 81 1 1 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.586 -0.906 19298 82 1 1 . 1 1 41 41 ASP H H 41 7.809 7.809 7.924 -0.115 19298 83 1 1 . 1 1 42 42 ILE N N 42 119.180 119.180 116.886 2.294 19298 84 1 1 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.625 -0.541 19298 85 1 1 . 1 1 42 42 ILE C C 42 173.940 173.940 176.489 -2.549 19298 86 1 1 . 1 1 42 42 ILE CA C 42 60.770 60.770 60.404 0.366 19298 87 1 1 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.006 0.734 19298 88 1 1 . 1 1 42 42 ILE H H 42 7.098 7.098 7.606 -0.508 19298 89 1 1 . 1 1 43 43 LYS N N 43 126.520 126.520 126.071 0.449 19298 90 1 1 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.881 0.112 19298 91 1 1 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.633 0.967 19298 92 1 1 . 1 1 43 43 LYS H H 43 8.963 8.963 9.412 -0.449 19298 93 1 1 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.257 -0.157 19298 94 1 1 . 1 1 44 44 PRO C C 44 180.110 180.110 177.771 2.339 19298 95 1 1 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.329 1.361 19298 96 1 1 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.932 -0.122 19298 97 1 1 . 1 1 45 45 ARG N N 45 115.440 115.440 116.854 -1.414 19298 98 1 1 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.237 0.006 19298 99 1 1 . 1 1 45 45 ARG C C 45 176.200 176.200 178.005 -1.805 19298 100 1 1 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.530 0.020 19298 101 1 1 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.140 1.280 19298 102 1 1 . 1 1 45 45 ARG H H 45 8.922 8.922 8.617 0.305 19298 103 1 1 . 1 1 46 46 GLU N N 46 119.720 119.720 121.070 -1.350 19298 104 1 1 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.159 -0.121 19298 105 1 1 . 1 1 46 46 GLU C C 46 178.820 178.820 179.149 -0.329 19298 106 1 1 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.472 0.738 19298 107 1 1 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.426 1.454 19298 108 1 1 . 1 1 46 46 GLU H H 46 8.340 8.340 7.985 0.355 19298 109 1 1 . 1 1 47 47 LEU N N 47 115.570 115.570 118.482 -2.912 19298 110 1 1 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.396 -0.023 19298 111 1 1 . 1 1 47 47 LEU C C 47 178.380 178.380 178.905 -0.525 19298 112 1 1 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.100 0.420 19298 113 1 1 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.530 0.150 19298 114 1 1 . 1 1 47 47 LEU H H 47 7.196 7.196 7.756 -0.560 19298 115 1 1 . 1 1 48 48 TYR N N 48 119.670 119.670 121.291 -1.621 19298 116 1 1 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.261 -0.052 19298 117 1 1 . 1 1 48 48 TYR C C 48 176.380 176.380 177.417 -1.037 19298 118 1 1 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.178 -1.548 19298 119 1 1 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.883 -2.253 19298 120 1 1 . 1 1 48 48 TYR H H 48 6.816 6.816 7.485 -0.669 19298 121 1 1 . 1 1 49 49 LEU N N 49 118.190 118.190 118.366 -0.176 19298 122 1 1 . 1 1 49 49 LEU HA H 49 3.202 3.202 4.023 -0.821 19298 123 1 1 . 1 1 49 49 LEU C C 49 179.030 179.030 178.680 0.350 19298 124 1 1 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.647 0.093 19298 125 1 1 . 1 1 49 49 LEU CB C 49 43.230 43.230 42.206 1.024 19298 126 1 1 . 1 1 49 49 LEU H H 49 8.129 8.129 8.478 -0.349 19298 127 1 1 . 1 1 50 50 LEU N N 50 117.130 117.130 119.399 -2.269 19298 128 1 1 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.106 -0.396 19298 129 1 1 . 1 1 50 50 LEU C C 50 176.420 176.420 177.458 -1.038 19298 130 1 1 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.599 -0.309 19298 131 1 1 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.570 0.070 19298 132 1 1 . 1 1 50 50 LEU H H 50 7.543 7.543 7.850 -0.307 19298 133 1 1 . 1 1 51 51 PHE N N 51 110.420 110.420 114.229 -3.809 19298 134 1 1 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.580 0.080 19298 135 1 1 . 1 1 51 51 PHE C C 51 175.110 175.110 176.761 -1.651 19298 136 1 1 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.982 0.658 19298 137 1 1 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.655 1.595 19298 138 1 1 . 1 1 51 51 PHE H H 51 7.439 7.439 7.765 -0.326 19298 139 1 1 . 1 1 52 52 ARG N N 52 120.680 120.680 120.323 0.357 19298 140 1 1 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.283 -0.540 19298 141 1 1 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.122 -0.202 19298 142 1 1 . 1 1 52 52 ARG H H 52 7.865 7.865 7.390 0.475 19298 143 1 1 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.241 -0.039 19298 144 1 1 . 1 1 53 53 PRO C C 53 176.600 176.600 176.739 -0.139 19298 145 1 1 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.859 0.681 19298 146 1 1 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.612 -0.652 19298 147 1 1 . 1 1 54 54 PHE N N 54 117.470 117.470 119.289 -1.819 19298 148 1 1 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.637 -0.381 19298 149 1 1 . 1 1 54 54 PHE C C 54 175.500 175.500 175.054 0.446 19298 150 1 1 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.474 2.726 19298 151 1 1 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.758 -0.078 19298 152 1 1 . 1 1 54 54 PHE H H 54 7.943 7.943 7.924 0.019 19298 153 1 1 . 1 1 55 55 LYS N N 55 126.460 126.460 125.042 1.418 19298 154 1 1 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.302 -0.149 19298 155 1 1 . 1 1 55 55 LYS C C 55 177.900 177.900 176.676 1.224 19298 156 1 1 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.457 0.583 19298 157 1 1 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.378 1.152 19298 158 1 1 . 1 1 55 55 LYS H H 55 8.571 8.571 8.282 0.289 19298 159 1 1 . 1 1 56 56 GLY N N 56 112.780 112.780 111.788 0.992 19298 160 1 1 . 1 1 56 56 GLY C C 56 174.830 174.830 174.077 0.753 19298 161 1 1 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.910 0.240 19298 162 1 1 . 1 1 56 56 GLY H H 56 9.045 9.045 8.446 0.599 19298 163 1 1 . 1 1 57 57 TYR N N 57 121.700 121.700 123.939 -2.239 19298 164 1 1 . 1 1 57 57 TYR HA H 57 3.076 3.076 4.024 -0.948 19298 165 1 1 . 1 1 57 57 TYR C C 57 175.260 175.260 175.258 0.002 19298 166 1 1 . 1 1 57 57 TYR CA C 57 59.650 59.650 58.585 1.065 19298 167 1 1 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.785 0.405 19298 168 1 1 . 1 1 57 57 TYR H H 57 7.560 7.560 7.864 -0.304 19298 169 1 1 . 1 1 58 58 GLU N N 58 128.500 128.500 128.324 0.176 19298 170 1 1 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.263 0.005 19298 171 1 1 . 1 1 58 58 GLU C C 58 175.700 175.700 175.857 -0.157 19298 172 1 1 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.407 -1.067 19298 173 1 1 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.270 0.460 19298 174 1 1 . 1 1 58 58 GLU H H 58 8.356 8.356 8.509 -0.153 19298 175 1 1 . 1 1 59 59 GLY N N 59 104.920 104.920 106.985 -2.065 19298 176 1 1 . 1 1 59 59 GLY C C 59 170.310 170.310 172.038 -1.728 19298 177 1 1 . 1 1 59 59 GLY CA C 59 45.530 45.530 45.267 0.263 19298 178 1 1 . 1 1 59 59 GLY H H 59 6.411 6.411 7.394 -0.983 19298 179 1 1 . 1 1 60 60 SER N N 60 110.020 110.020 115.017 -4.997 19298 180 1 1 . 1 1 60 60 SER HA H 60 5.468 5.468 5.276 0.192 19298 181 1 1 . 1 1 60 60 SER C C 60 172.470 172.470 173.800 -1.330 19298 182 1 1 . 1 1 60 60 SER CA C 60 57.170 57.170 57.044 0.126 19298 183 1 1 . 1 1 60 60 SER CB C 60 66.610 66.610 66.230 0.380 19298 184 1 1 . 1 1 60 60 SER H H 60 8.280 8.280 8.380 -0.100 19298 185 1 1 . 1 1 61 61 LEU N N 61 118.490 118.490 125.206 -6.716 19298 186 1 1 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.714 0.029 19298 187 1 1 . 1 1 61 61 LEU C C 61 174.600 174.600 175.808 -1.208 19298 188 1 1 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.015 0.665 19298 189 1 1 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.296 1.084 19298 190 1 1 . 1 1 61 61 LEU H H 61 8.953 8.953 8.996 -0.043 19298 191 1 1 . 1 1 62 62 ILE N N 62 120.760 120.760 123.916 -3.156 19298 192 1 1 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.676 0.241 19298 193 1 1 . 1 1 62 62 ILE C C 62 175.600 175.600 176.077 -0.477 19298 194 1 1 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.011 0.478 19298 195 1 1 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.517 1.403 19298 196 1 1 . 1 1 62 62 ILE H H 62 8.639 8.639 8.650 -0.011 19298 197 1 1 . 1 1 63 63 LYS N N 63 127.240 127.240 128.973 -1.733 19298 198 1 1 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.712 -0.010 19298 199 1 1 . 1 1 63 63 LYS C C 63 174.700 174.700 174.598 0.102 19298 200 1 1 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.199 0.351 19298 201 1 1 . 1 1 63 63 LYS CB C 63 35.490 35.490 33.697 1.793 19298 202 1 1 . 1 1 63 63 LYS H H 63 9.145 9.145 9.042 0.103 19298 203 1 1 . 1 1 64 64 LEU N N 64 124.700 124.700 127.418 -2.718 19298 204 1 1 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.387 0.315 19298 205 1 1 . 1 1 64 64 LEU C C 64 177.470 177.470 176.084 1.386 19298 206 1 1 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.622 -1.032 19298 207 1 1 . 1 1 64 64 LEU CB C 64 42.420 42.420 42.185 0.235 19298 208 1 1 . 1 1 64 64 LEU H H 64 8.648 8.648 8.788 -0.140 19298 209 1 1 . 1 1 65 65 THR N N 65 116.860 116.860 122.714 -5.854 19298 210 1 1 . 1 1 65 65 THR HA H 65 4.521 4.521 4.504 0.017 19298 211 1 1 . 1 1 65 65 THR C C 65 174.160 174.160 174.343 -0.183 19298 212 1 1 . 1 1 65 65 THR CA C 65 60.990 60.990 60.698 0.292 19298 213 1 1 . 1 1 65 65 THR CB C 65 70.630 70.630 71.164 -0.534 19298 214 1 1 . 1 1 65 65 THR H H 65 8.330 8.330 7.456 0.874 19298 215 1 1 . 1 1 66 66 ALA N N 66 127.310 127.310 126.612 0.698 19298 216 1 1 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.149 0.021 19298 217 1 1 . 1 1 66 66 ALA C C 66 177.060 177.060 178.142 -1.082 19298 218 1 1 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.412 -0.822 19298 219 1 1 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.587 -0.527 19298 220 1 1 . 1 1 66 66 ALA H H 66 8.834 8.834 8.692 0.142 19298 221 1 1 . 1 1 67 67 ARG N N 67 113.660 113.660 115.040 -1.380 19298 222 1 1 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.465 -0.401 19298 223 1 1 . 1 1 67 67 ARG C C 67 175.400 175.400 175.311 0.089 19298 224 1 1 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.110 1.200 19298 225 1 1 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.021 -1.251 19298 226 1 1 . 1 1 67 67 ARG H H 67 8.335 8.335 8.244 0.091 19298 227 1 1 . 1 1 68 68 GLN N N 68 118.790 118.790 116.028 2.762 19298 228 1 1 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.582 0.233 19298 229 1 1 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.534 -0.254 19298 230 1 1 . 1 1 68 68 GLN H H 68 7.832 7.832 7.300 0.532 19298 231 1 1 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.835 0.011 19298 232 1 1 . 1 1 69 69 PRO C C 69 175.480 175.480 176.164 -0.684 19298 233 1 1 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.427 0.473 19298 234 1 1 . 1 1 69 69 PRO CB C 69 32.450 32.450 32.458 -0.008 19298 235 1 1 . 1 1 70 70 VAL N N 70 117.700 117.700 118.711 -1.011 19298 236 1 1 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.767 -0.225 19298 237 1 1 . 1 1 70 70 VAL C C 70 174.470 174.470 175.141 -0.671 19298 238 1 1 . 1 1 70 70 VAL CA C 70 60.040 60.040 59.429 0.611 19298 239 1 1 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.166 1.754 19298 240 1 1 . 1 1 70 70 VAL H H 70 8.722 8.722 8.817 -0.095 19298 241 1 1 . 1 1 71 71 GLY N N 71 107.930 107.930 111.219 -3.289 19298 242 1 1 . 1 1 71 71 GLY C C 71 171.000 171.000 172.857 -1.857 19298 243 1 1 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.647 0.343 19298 244 1 1 . 1 1 71 71 GLY H H 71 8.716 8.716 8.684 0.032 19298 245 1 1 . 1 1 72 72 PHE N N 72 119.400 119.400 126.089 -6.689 19298 246 1 1 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.259 0.376 19298 247 1 1 . 1 1 72 72 PHE C C 72 175.350 175.350 175.391 -0.041 19298 248 1 1 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.522 -0.692 19298 249 1 1 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.394 2.716 19298 250 1 1 . 1 1 72 72 PHE H H 72 8.934 8.934 9.179 -0.245 19298 251 1 1 . 1 1 73 73 VAL N N 73 122.000 122.000 125.880 -3.880 19298 252 1 1 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.473 0.090 19298 253 1 1 . 1 1 73 73 VAL C C 73 172.930 172.930 174.810 -1.880 19298 254 1 1 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.664 -0.904 19298 255 1 1 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.477 2.093 19298 256 1 1 . 1 1 73 73 VAL H H 73 8.934 8.934 9.177 -0.243 19298 257 1 1 . 1 1 74 74 ILE N N 74 128.000 128.000 127.230 0.770 19298 258 1 1 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.281 -0.414 19298 259 1 1 . 1 1 74 74 ILE C C 74 173.700 173.700 174.059 -0.359 19298 260 1 1 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.209 1.671 19298 261 1 1 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.916 -6.516 19298 262 1 1 . 1 1 74 74 ILE H H 74 8.702 8.702 8.668 0.034 19298 263 1 1 . 1 1 75 75 PHE N N 75 125.200 125.200 127.367 -2.167 19298 264 1 1 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.321 -0.174 19298 265 1 1 . 1 1 75 75 PHE C C 75 175.880 175.880 176.091 -0.211 19298 266 1 1 . 1 1 75 75 PHE CA C 75 56.220 56.220 56.984 -0.764 19298 267 1 1 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.102 2.578 19298 268 1 1 . 1 1 75 75 PHE H H 75 8.200 8.200 9.048 -0.848 19298 269 1 1 . 1 1 76 76 ASP N N 76 119.150 119.150 121.163 -2.013 19298 270 1 1 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.406 -0.129 19298 271 1 1 . 1 1 76 76 ASP C C 76 176.020 176.020 175.518 0.502 19298 272 1 1 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.809 -1.229 19298 273 1 1 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.741 -1.221 19298 274 1 1 . 1 1 76 76 ASP H H 76 9.400 9.400 9.049 0.351 19298 275 1 1 . 1 1 77 77 SER N N 77 111.280 111.280 109.613 1.667 19298 276 1 1 . 1 1 77 77 SER HA H 77 4.683 4.683 4.640 0.043 19298 277 1 1 . 1 1 77 77 SER C C 77 173.670 173.670 173.885 -0.215 19298 278 1 1 . 1 1 77 77 SER CA C 77 56.620 56.620 57.322 -0.702 19298 279 1 1 . 1 1 77 77 SER CB C 77 66.470 66.470 66.285 0.185 19298 280 1 1 . 1 1 77 77 SER H H 77 7.804 7.804 7.583 0.221 19298 281 1 1 . 1 1 78 78 ARG N N 78 125.240 125.240 124.260 0.980 19298 282 1 1 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.336 -0.306 19298 283 1 1 . 1 1 78 78 ARG C C 78 177.710 177.710 177.749 -0.039 19298 284 1 1 . 1 1 78 78 ARG CA C 78 59.870 59.870 60.221 -0.351 19298 285 1 1 . 1 1 78 78 ARG CB C 78 29.800 29.800 30.457 -0.657 19298 286 1 1 . 1 1 78 78 ARG H H 78 9.348 9.348 9.126 0.222 19298 287 1 1 . 1 1 79 79 ALA N N 79 120.700 120.700 119.270 1.430 19298 288 1 1 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.513 -0.313 19298 289 1 1 . 1 1 79 79 ALA C C 79 181.360 181.360 178.572 2.788 19298 290 1 1 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.468 0.812 19298 291 1 1 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.031 0.119 19298 292 1 1 . 1 1 79 79 ALA H H 79 8.660 8.660 8.526 0.134 19298 293 1 1 . 1 1 80 80 GLY N N 80 107.500 107.500 106.414 1.086 19298 294 1 1 . 1 1 80 80 GLY C C 80 175.710 175.710 175.604 0.106 19298 295 1 1 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.409 1.381 19298 296 1 1 . 1 1 80 80 GLY H H 80 8.161 8.161 7.772 0.389 19298 297 1 1 . 1 1 81 81 ALA N N 81 124.650 124.650 125.092 -0.442 19298 298 1 1 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.004 -0.428 19298 299 1 1 . 1 1 81 81 ALA C C 81 178.570 178.570 179.154 -0.584 19298 300 1 1 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.643 -0.423 19298 301 1 1 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.170 0.010 19298 302 1 1 . 1 1 81 81 ALA H H 81 7.298 7.298 7.945 -0.647 19298 303 1 1 . 1 1 82 82 GLU N N 82 118.890 118.890 117.255 1.635 19298 304 1 1 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.849 -0.118 19298 305 1 1 . 1 1 82 82 GLU C C 82 177.800 177.800 178.572 -0.772 19298 306 1 1 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.011 0.549 19298 307 1 1 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.435 0.425 19298 308 1 1 . 1 1 82 82 GLU H H 82 8.930 8.930 8.684 0.246 19298 309 1 1 . 1 1 83 83 ALA N N 83 119.410 119.410 121.902 -2.492 19298 310 1 1 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.250 -0.133 19298 311 1 1 . 1 1 83 83 ALA C C 83 180.810 180.810 179.325 1.485 19298 312 1 1 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.267 0.623 19298 313 1 1 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.185 -0.035 19298 314 1 1 . 1 1 83 83 ALA H H 83 7.572 7.572 7.208 0.364 19298 315 1 1 . 1 1 84 84 ALA N N 84 120.280 120.280 121.370 -1.090 19298 316 1 1 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.296 -1.156 19298 317 1 1 . 1 1 84 84 ALA C C 84 178.010 178.010 179.356 -1.346 19298 318 1 1 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.199 -0.469 19298 319 1 1 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.423 0.287 19298 320 1 1 . 1 1 84 84 ALA H H 84 6.950 6.950 7.915 -0.965 19298 321 1 1 . 1 1 85 85 LYS N N 85 118.040 118.040 117.795 0.245 19298 322 1 1 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.829 -0.241 19298 323 1 1 . 1 1 85 85 LYS C C 85 177.700 177.700 178.289 -0.589 19298 324 1 1 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.206 0.354 19298 325 1 1 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.715 0.375 19298 326 1 1 . 1 1 85 85 LYS H H 85 8.042 8.042 8.354 -0.312 19298 327 1 1 . 1 1 86 86 ASN N N 86 114.630 114.630 118.644 -4.014 19298 328 1 1 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.452 0.021 19298 329 1 1 . 1 1 86 86 ASN C C 86 177.320 177.320 176.239 1.081 19298 330 1 1 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.885 -0.815 19298 331 1 1 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.229 -0.239 19298 332 1 1 . 1 1 86 86 ASN H H 86 8.087 8.087 7.690 0.397 19298 333 1 1 . 1 1 87 87 ALA N N 87 120.200 120.200 121.631 -1.431 19298 334 1 1 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.223 0.084 19298 335 1 1 . 1 1 87 87 ALA C C 87 179.630 179.630 178.735 0.895 19298 336 1 1 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.039 0.260 19298 337 1 1 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.935 0.245 19298 338 1 1 . 1 1 87 87 ALA H H 87 7.557 7.557 7.533 0.024 19298 339 1 1 . 1 1 88 88 LEU N N 88 114.210 114.210 116.876 -2.666 19298 340 1 1 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.441 -0.028 19298 341 1 1 . 1 1 88 88 LEU C C 88 176.580 176.580 176.390 0.190 19298 342 1 1 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.276 0.134 19298 343 1 1 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.266 2.064 19298 344 1 1 . 1 1 88 88 LEU H H 88 7.561 7.561 7.806 -0.245 19298 345 1 1 . 1 1 89 89 ASN N N 89 117.970 117.970 118.276 -0.306 19298 346 1 1 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.513 -0.257 19298 347 1 1 . 1 1 89 89 ASN C C 89 177.700 177.700 176.404 1.296 19298 348 1 1 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.213 2.777 19298 349 1 1 . 1 1 89 89 ASN CB C 89 38.570 38.570 37.698 0.872 19298 350 1 1 . 1 1 89 89 ASN H H 89 7.550 7.550 7.797 -0.247 19298 351 1 1 . 1 1 90 90 GLY N N 90 112.220 112.220 112.496 -0.276 19298 352 1 1 . 1 1 90 90 GLY C C 90 174.360 174.360 173.851 0.509 19298 353 1 1 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.887 0.873 19298 354 1 1 . 1 1 90 90 GLY H H 90 8.734 8.734 9.030 -0.296 19298 355 1 1 . 1 1 91 91 ILE N N 91 115.840 115.840 121.736 -5.896 19298 356 1 1 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.139 0.337 19298 357 1 1 . 1 1 91 91 ILE C C 91 175.940 175.940 174.582 1.358 19298 358 1 1 . 1 1 91 91 ILE CA C 91 60.520 60.520 60.318 0.202 19298 359 1 1 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.347 -0.327 19298 360 1 1 . 1 1 91 91 ILE H H 91 7.518 7.518 7.295 0.223 19298 361 1 1 . 1 1 92 92 ARG N N 92 120.160 120.160 129.368 -9.208 19298 362 1 1 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.170 0.307 19298 363 1 1 . 1 1 92 92 ARG C C 92 175.840 175.840 175.839 0.001 19298 364 1 1 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.623 0.036 19298 365 1 1 . 1 1 92 92 ARG CB C 92 30.550 30.550 29.608 0.942 19298 366 1 1 . 1 1 92 92 ARG H H 92 8.461 8.461 8.846 -0.385 19298 367 1 1 . 1 1 93 93 PHE N N 93 126.780 126.780 128.351 -1.571 19298 368 1 1 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.329 -0.272 19298 369 1 1 . 1 1 93 93 PHE C C 93 171.620 171.620 175.359 -3.739 19298 370 1 1 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.448 1.562 19298 371 1 1 . 1 1 93 93 PHE CB C 93 40.480 40.480 40.006 0.474 19298 372 1 1 . 1 1 93 93 PHE H H 93 8.443 8.443 8.465 -0.022 19298 373 1 1 . 1 1 94 94 ASP N N 94 110.650 110.650 116.614 -5.964 19298 374 1 1 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.910 -0.041 19298 375 1 1 . 1 1 94 94 ASP CA C 94 48.530 48.530 52.066 -3.536 19298 376 1 1 . 1 1 94 94 ASP H H 94 7.860 7.860 7.682 0.178 19298 377 1 1 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.309 -0.462 19298 378 1 1 . 1 1 95 95 PRO C C 95 177.650 177.650 177.423 0.227 19298 379 1 1 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.878 -1.588 19298 380 1 1 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.281 -0.191 19298 381 1 1 . 1 1 96 96 GLU N N 96 115.270 115.270 116.124 -0.854 19298 382 1 1 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.257 -0.032 19298 383 1 1 . 1 1 96 96 GLU C C 96 175.310 175.310 176.857 -1.547 19298 384 1 1 . 1 1 96 96 GLU CA C 96 56.170 56.170 57.180 -1.010 19298 385 1 1 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.197 0.803 19298 386 1 1 . 1 1 96 96 GLU H H 96 7.944 7.944 8.728 -0.784 19298 387 1 1 . 1 1 97 97 ASN N N 97 121.610 121.610 118.931 2.679 19298 388 1 1 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.080 0.122 19298 389 1 1 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.998 -0.138 19298 390 1 1 . 1 1 97 97 ASN H H 97 8.190 8.190 7.644 0.546 19298 391 1 1 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.411 -0.242 19298 392 1 1 . 1 1 98 98 PRO C C 98 176.940 176.940 175.823 1.117 19298 393 1 1 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.381 -0.091 19298 394 1 1 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.635 0.575 19298 395 1 1 . 1 1 99 99 GLN N N 99 120.230 120.230 120.091 0.139 19298 396 1 1 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.365 -0.182 19298 397 1 1 . 1 1 99 99 GLN C C 99 176.660 176.660 175.192 1.468 19298 398 1 1 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.264 1.816 19298 399 1 1 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.414 -0.424 19298 400 1 1 . 1 1 99 99 GLN H H 99 8.174 8.174 7.554 0.620 19298 401 1 1 . 1 1 100 100 THR N N 100 117.080 117.080 117.147 -0.067 19298 402 1 1 . 1 1 100 100 THR HA H 100 4.784 4.784 4.716 0.068 19298 403 1 1 . 1 1 100 100 THR C C 100 174.540 174.540 173.415 1.125 19298 404 1 1 . 1 1 100 100 THR CA C 100 59.870 59.870 60.007 -0.137 19298 405 1 1 . 1 1 100 100 THR CB C 100 71.920 71.920 70.903 1.016 19298 406 1 1 . 1 1 100 100 THR H H 100 8.241 8.241 8.443 -0.202 19298 407 1 1 . 1 1 101 101 LEU N N 101 120.720 120.720 126.144 -5.424 19298 408 1 1 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.029 -0.391 19298 409 1 1 . 1 1 101 101 LEU C C 101 177.930 177.930 174.998 2.932 19298 410 1 1 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.251 0.409 19298 411 1 1 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.697 -0.217 19298 412 1 1 . 1 1 101 101 LEU H H 101 8.809 8.809 9.276 -0.467 19298 413 1 1 . 1 1 102 102 ARG N N 102 124.040 124.040 126.199 -2.159 19298 414 1 1 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.661 0.310 19298 415 1 1 . 1 1 102 102 ARG C C 102 174.500 174.500 173.338 1.162 19298 416 1 1 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.836 -0.126 19298 417 1 1 . 1 1 102 102 ARG CB C 102 32.000 32.000 33.463 -1.463 19298 418 1 1 . 1 1 102 102 ARG H H 102 8.327 8.327 9.096 -0.769 19298 419 1 1 . 1 1 103 103 LEU N N 103 125.780 125.780 128.281 -2.501 19298 420 1 1 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.726 0.644 19298 421 1 1 . 1 1 103 103 LEU C C 103 174.660 174.660 175.662 -1.002 19298 422 1 1 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.128 0.532 19298 423 1 1 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.058 1.722 19298 424 1 1 . 1 1 103 103 LEU H H 103 8.825 8.825 8.561 0.264 19298 425 1 1 . 1 1 104 104 GLU N N 104 119.100 119.100 120.644 -1.544 19298 426 1 1 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.399 0.110 19298 427 1 1 . 1 1 104 104 GLU C C 104 175.110 175.110 175.354 -0.244 19298 428 1 1 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.401 0.039 19298 429 1 1 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.507 0.513 19298 430 1 1 . 1 1 104 104 GLU H H 104 8.348 8.348 7.975 0.373 19298 431 1 1 . 1 1 105 105 PHE N N 105 121.070 121.070 119.990 1.080 19298 432 1 1 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.487 0.124 19298 433 1 1 . 1 1 105 105 PHE C C 105 177.060 177.060 176.808 0.252 19298 434 1 1 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.491 1.699 19298 435 1 1 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.696 -0.515 19298 436 1 1 . 1 1 105 105 PHE H H 105 9.227 9.227 8.725 0.502 19298 437 1 1 . 1 1 106 106 ALA N N 106 124.890 124.890 127.903 -3.013 19298 438 1 1 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.797 -0.372 19298 439 1 1 . 1 1 106 106 ALA C C 106 175.860 175.860 176.715 -0.855 19298 440 1 1 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.044 -0.764 19298 441 1 1 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.257 -0.507 19298 442 1 1 . 1 1 106 106 ALA H H 106 9.567 9.567 8.785 0.782 19298 443 1 1 . 1 1 107 107 LYS N N 107 117.510 117.510 119.956 -2.446 19298 444 1 1 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.185 -0.013 19298 445 1 1 . 1 1 107 107 LYS C C 107 176.060 176.060 175.615 0.445 19298 446 1 1 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.204 -0.054 19298 447 1 1 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.517 -0.017 19298 448 1 1 . 1 1 107 107 LYS H H 107 8.581 8.581 8.538 0.043 19298 449 1 1 . 1 1 108 108 ALA N N 108 118.700 118.700 121.278 -2.578 19298 450 1 1 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.514 -0.140 19298 451 1 1 . 1 1 108 108 ALA C C 108 176.650 176.650 175.769 0.881 19298 452 1 1 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.483 -0.613 19298 453 1 1 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.165 0.355 19298 454 1 1 . 1 1 108 108 ALA H H 108 7.731 7.731 7.451 0.280 19298 455 1 1 . 1 1 109 109 ASN N N 109 116.530 116.530 121.127 -4.597 19298 456 1 1 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.663 0.310 19298 457 1 1 . 1 1 109 109 ASN C C 109 175.940 175.940 174.752 1.188 19298 458 1 1 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.399 -0.269 19298 459 1 1 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.527 0.143 19298 460 1 1 . 1 1 109 109 ASN H H 109 8.936 8.936 8.507 0.429 19298 461 1 1 . 1 1 110 110 THR N N 110 116.260 116.260 118.881 -2.621 19298 462 1 1 . 1 1 110 110 THR HA H 110 4.153 4.153 4.335 -0.182 19298 463 1 1 . 1 1 110 110 THR C C 110 173.240 173.240 174.585 -1.345 19298 464 1 1 . 1 1 110 110 THR CA C 110 61.990 61.990 61.231 0.759 19298 465 1 1 . 1 1 110 110 THR CB C 110 69.830 69.830 69.663 0.167 19298 466 1 1 . 1 1 110 110 THR H H 110 7.437 7.437 8.567 -1.130 19298 467 1 1 . 1 1 111 111 LYS N N 111 124.500 124.500 130.485 -5.985 19298 468 1 1 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.373 -0.126 19298 469 1 1 . 1 1 111 111 LYS C C 111 176.140 176.140 175.575 0.565 19298 470 1 1 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.997 -0.067 19298 471 1 1 . 1 1 111 111 LYS CB C 111 32.700 32.700 31.301 1.399 19298 472 1 1 . 1 1 111 111 LYS H H 111 8.248 8.248 8.824 -0.576 19298 473 1 1 . 1 1 112 112 MET N N 112 122.000 122.000 122.572 -0.572 19298 474 1 1 . 1 1 112 112 MET HA H 112 4.408 4.408 4.268 0.140 19298 475 1 1 . 1 1 112 112 MET C C 112 175.550 175.550 175.523 0.027 19298 476 1 1 . 1 1 112 112 MET CA C 112 54.780 54.780 56.507 -1.727 19298 477 1 1 . 1 1 112 112 MET CB C 112 33.280 33.280 33.104 0.176 19298 478 1 1 . 1 1 112 112 MET H H 112 8.290 8.290 7.972 0.318 19298 479 1 1 . 1 1 113 113 ALA N N 113 125.150 125.150 121.836 3.314 19298 480 1 1 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.419 -0.163 19298 481 1 1 . 1 1 113 113 ALA C C 113 177.580 177.580 176.326 1.254 19298 482 1 1 . 1 1 113 113 ALA CA C 113 52.470 52.470 50.976 1.494 19298 483 1 1 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.188 -0.048 19298 484 1 1 . 1 1 113 113 ALA H H 113 8.213 8.213 8.017 0.196 19298 485 1 1 . 1 1 114 114 LYS N N 114 120.740 120.740 124.553 -3.813 19298 486 1 1 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.179 0.077 19298 487 1 1 . 1 1 114 114 LYS C C 114 176.790 176.790 175.978 0.812 19298 488 1 1 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.004 0.336 19298 489 1 1 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.426 0.444 19298 490 1 1 . 1 1 114 114 LYS H H 114 8.261 8.261 8.538 -0.277 19298 491 1 1 . 1 1 115 115 SER N N 115 116.780 116.780 121.463 -4.683 19298 492 1 1 . 1 1 115 115 SER HA H 115 4.393 4.393 4.328 0.065 19298 493 1 1 . 1 1 115 115 SER C C 115 174.710 174.710 173.828 0.882 19298 494 1 1 . 1 1 115 115 SER CA C 115 58.410 58.410 59.107 -0.697 19298 495 1 1 . 1 1 115 115 SER CB C 115 63.870 63.870 63.036 0.834 19298 496 1 1 . 1 1 115 115 SER H H 115 8.268 8.268 8.652 -0.384 19298 497 1 1 . 1 1 116 116 LYS N N 116 123.210 123.210 124.712 -1.502 19298 498 1 1 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.465 -0.174 19298 499 1 1 . 1 1 116 116 LYS C C 116 176.400 176.400 175.468 0.932 19298 500 1 1 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.069 0.261 19298 501 1 1 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.103 -0.393 19298 502 1 1 . 1 1 116 116 LYS H H 116 8.346 8.346 7.984 0.362 19298 503 1 1 . 1 1 117 117 LEU N N 117 122.470 122.470 121.917 0.553 19298 504 1 1 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.675 -0.399 19298 505 1 1 . 1 1 117 117 LEU C C 117 177.080 177.080 176.349 0.731 19298 506 1 1 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.300 -0.251 19298 507 1 1 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.367 -0.158 19298 508 1 1 . 1 1 117 117 LEU H H 117 8.093 8.093 8.458 -0.365 19298 509 1 2 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.340 0.026 19298 510 1 2 . 1 1 27 27 GLU C C 27 176.230 176.230 175.542 0.688 19298 511 1 2 . 1 1 27 27 GLU CA C 27 56.240 56.240 57.066 -0.826 19298 512 1 2 . 1 1 27 27 GLU CB C 27 30.720 30.720 28.649 2.071 19298 513 1 2 . 1 1 28 28 GLU N N 28 122.500 122.500 119.769 2.731 19298 514 1 2 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.342 -0.080 19298 515 1 2 . 1 1 28 28 GLU C C 28 175.860 175.860 175.249 0.611 19298 516 1 2 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.382 -0.022 19298 517 1 2 . 1 1 28 28 GLU CB C 28 30.510 30.510 30.604 -0.094 19298 518 1 2 . 1 1 28 28 GLU H H 28 8.521 8.521 8.176 0.345 19298 519 1 2 . 1 1 29 29 GLU N N 29 123.290 123.290 121.403 1.887 19298 520 1 2 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.281 -0.050 19298 521 1 2 . 1 1 29 29 GLU C C 29 176.740 176.740 175.839 0.901 19298 522 1 2 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.958 0.402 19298 523 1 2 . 1 1 29 29 GLU CB C 29 30.840 30.840 29.508 1.333 19298 524 1 2 . 1 1 29 29 GLU H H 29 8.521 8.521 8.035 0.486 19298 525 1 2 . 1 1 30 30 VAL N N 30 125.640 125.640 125.428 0.212 19298 526 1 2 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.112 -0.305 19298 527 1 2 . 1 1 30 30 VAL C C 30 175.110 175.110 175.730 -0.620 19298 528 1 2 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.853 2.227 19298 529 1 2 . 1 1 30 30 VAL CB C 30 31.330 31.330 30.559 0.771 19298 530 1 2 . 1 1 30 30 VAL H H 30 8.715 8.715 8.346 0.369 19298 531 1 2 . 1 1 31 31 ARG N N 31 124.730 124.730 124.119 0.611 19298 532 1 2 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.861 -0.187 19298 533 1 2 . 1 1 31 31 ARG C C 31 172.600 172.600 175.920 -3.320 19298 534 1 2 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.680 -1.100 19298 535 1 2 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.986 -2.236 19298 536 1 2 . 1 1 31 31 ARG H H 31 9.378 9.378 9.462 -0.084 19298 537 1 2 . 1 1 32 32 THR N N 32 115.380 115.380 119.203 -3.823 19298 538 1 2 . 1 1 32 32 THR HA H 32 5.471 5.471 5.487 -0.016 19298 539 1 2 . 1 1 32 32 THR C C 32 173.810 173.810 173.386 0.424 19298 540 1 2 . 1 1 32 32 THR CA C 32 61.250 61.250 62.412 -1.162 19298 541 1 2 . 1 1 32 32 THR CB C 32 71.360 71.360 70.498 0.862 19298 542 1 2 . 1 1 32 32 THR H H 32 7.144 7.144 8.278 -1.134 19298 543 1 2 . 1 1 33 33 LEU N N 33 124.600 124.600 127.579 -2.979 19298 544 1 2 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.176 -0.249 19298 545 1 2 . 1 1 33 33 LEU C C 33 174.960 174.960 175.773 -0.813 19298 546 1 2 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.625 -0.735 19298 547 1 2 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.297 0.613 19298 548 1 2 . 1 1 33 33 LEU H H 33 9.701 9.701 9.363 0.338 19298 549 1 2 . 1 1 34 34 PHE N N 34 122.600 122.600 122.031 0.569 19298 550 1 2 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.156 -0.067 19298 551 1 2 . 1 1 34 34 PHE C C 34 174.530 174.530 174.105 0.425 19298 552 1 2 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.005 0.735 19298 553 1 2 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.592 1.818 19298 554 1 2 . 1 1 34 34 PHE H H 34 9.411 9.411 9.293 0.118 19298 555 1 2 . 1 1 35 35 VAL N N 35 127.050 127.050 127.535 -0.485 19298 556 1 2 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.388 0.338 19298 557 1 2 . 1 1 35 35 VAL C C 35 173.520 173.520 175.571 -2.051 19298 558 1 2 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.709 -1.059 19298 559 1 2 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.431 2.739 19298 560 1 2 . 1 1 35 35 VAL H H 35 8.878 8.878 8.663 0.215 19298 561 1 2 . 1 1 36 36 SER N N 36 120.260 120.260 122.140 -1.880 19298 562 1 2 . 1 1 36 36 SER HA H 36 4.876 4.876 4.836 0.040 19298 563 1 2 . 1 1 36 36 SER C C 36 173.170 173.170 175.107 -1.937 19298 564 1 2 . 1 1 36 36 SER CA C 36 56.700 56.700 56.020 0.680 19298 565 1 2 . 1 1 36 36 SER CB C 36 65.440 65.440 65.516 -0.076 19298 566 1 2 . 1 1 36 36 SER H H 36 8.964 8.964 8.335 0.629 19298 567 1 2 . 1 1 37 37 GLY N N 37 108.690 108.690 107.191 1.499 19298 568 1 2 . 1 1 37 37 GLY C C 37 174.150 174.150 173.699 0.451 19298 569 1 2 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.179 0.351 19298 570 1 2 . 1 1 37 37 GLY H H 37 8.567 8.567 8.693 -0.126 19298 571 1 2 . 1 1 38 38 LEU N N 38 118.640 118.640 121.247 -2.607 19298 572 1 2 . 1 1 38 38 LEU HA H 38 3.901 3.901 3.973 -0.072 19298 573 1 2 . 1 1 38 38 LEU CA C 38 51.410 51.410 52.094 -0.684 19298 574 1 2 . 1 1 38 38 LEU H H 38 7.426 7.426 7.626 -0.200 19298 575 1 2 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.431 0.119 19298 576 1 2 . 1 1 39 39 PRO C C 39 177.540 177.540 176.896 0.644 19298 577 1 2 . 1 1 39 39 PRO CA C 39 62.130 62.130 61.859 0.271 19298 578 1 2 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.712 -0.502 19298 579 1 2 . 1 1 40 40 VAL N N 40 114.990 114.990 118.235 -3.245 19298 580 1 2 . 1 1 40 40 VAL HA H 40 3.684 3.684 4.063 -0.379 19298 581 1 2 . 1 1 40 40 VAL C C 40 175.650 175.650 175.716 -0.066 19298 582 1 2 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.577 0.883 19298 583 1 2 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.603 0.127 19298 584 1 2 . 1 1 40 40 VAL H H 40 8.311 8.311 8.275 0.036 19298 585 1 2 . 1 1 41 41 ASP N N 41 117.410 117.410 118.235 -0.825 19298 586 1 2 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.717 -0.033 19298 587 1 2 . 1 1 41 41 ASP C C 41 176.140 176.140 175.030 1.110 19298 588 1 2 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.984 -1.184 19298 589 1 2 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.859 -1.179 19298 590 1 2 . 1 1 41 41 ASP H H 41 7.809 7.809 7.973 -0.164 19298 591 1 2 . 1 1 42 42 ILE N N 42 119.180 119.180 122.140 -2.960 19298 592 1 2 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.275 -0.191 19298 593 1 2 . 1 1 42 42 ILE C C 42 173.940 173.940 175.765 -1.825 19298 594 1 2 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.502 -0.732 19298 595 1 2 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.601 1.139 19298 596 1 2 . 1 1 42 42 ILE H H 42 7.098 7.098 7.441 -0.343 19298 597 1 2 . 1 1 43 43 LYS N N 43 126.520 126.520 130.693 -4.173 19298 598 1 2 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.850 0.143 19298 599 1 2 . 1 1 43 43 LYS CA C 43 53.600 53.600 53.038 0.562 19298 600 1 2 . 1 1 43 43 LYS H H 43 8.963 8.963 9.380 -0.417 19298 601 1 2 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.230 -0.130 19298 602 1 2 . 1 1 44 44 PRO C C 44 180.110 180.110 178.159 1.951 19298 603 1 2 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.543 1.147 19298 604 1 2 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.905 -0.095 19298 605 1 2 . 1 1 45 45 ARG N N 45 115.440 115.440 117.517 -2.077 19298 606 1 2 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.143 0.100 19298 607 1 2 . 1 1 45 45 ARG C C 45 176.200 176.200 178.394 -2.194 19298 608 1 2 . 1 1 45 45 ARG CA C 45 58.550 58.550 59.162 -0.612 19298 609 1 2 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.229 1.191 19298 610 1 2 . 1 1 45 45 ARG H H 45 8.922 8.922 8.724 0.198 19298 611 1 2 . 1 1 46 46 GLU N N 46 119.720 119.720 120.602 -0.882 19298 612 1 2 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.178 -0.140 19298 613 1 2 . 1 1 46 46 GLU C C 46 178.820 178.820 179.339 -0.519 19298 614 1 2 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.384 0.826 19298 615 1 2 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.419 1.461 19298 616 1 2 . 1 1 46 46 GLU H H 46 8.340 8.340 8.328 0.012 19298 617 1 2 . 1 1 47 47 LEU N N 47 115.570 115.570 119.957 -4.387 19298 618 1 2 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.214 0.159 19298 619 1 2 . 1 1 47 47 LEU C C 47 178.380 178.380 178.919 -0.539 19298 620 1 2 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.645 -0.125 19298 621 1 2 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.680 -0.000 19298 622 1 2 . 1 1 47 47 LEU H H 47 7.196 7.196 7.615 -0.419 19298 623 1 2 . 1 1 48 48 TYR N N 48 119.670 119.670 120.791 -1.121 19298 624 1 2 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.059 0.150 19298 625 1 2 . 1 1 48 48 TYR C C 48 176.380 176.380 177.576 -1.196 19298 626 1 2 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.124 -1.494 19298 627 1 2 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.479 -1.849 19298 628 1 2 . 1 1 48 48 TYR H H 48 6.816 6.816 7.971 -1.155 19298 629 1 2 . 1 1 49 49 LEU N N 49 118.190 118.190 117.235 0.955 19298 630 1 2 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.778 -0.576 19298 631 1 2 . 1 1 49 49 LEU C C 49 179.030 179.030 178.374 0.656 19298 632 1 2 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.233 0.506 19298 633 1 2 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.995 1.235 19298 634 1 2 . 1 1 49 49 LEU H H 49 8.129 8.129 8.187 -0.058 19298 635 1 2 . 1 1 50 50 LEU N N 50 117.130 117.130 118.211 -1.081 19298 636 1 2 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.027 -0.317 19298 637 1 2 . 1 1 50 50 LEU C C 50 176.420 176.420 177.777 -1.357 19298 638 1 2 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.210 0.080 19298 639 1 2 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.393 0.247 19298 640 1 2 . 1 1 50 50 LEU H H 50 7.543 7.543 7.546 -0.003 19298 641 1 2 . 1 1 51 51 PHE N N 51 110.420 110.420 114.217 -3.797 19298 642 1 2 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.440 0.220 19298 643 1 2 . 1 1 51 51 PHE C C 51 175.110 175.110 176.836 -1.726 19298 644 1 2 . 1 1 51 51 PHE CA C 51 59.640 59.640 59.454 0.186 19298 645 1 2 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.213 2.037 19298 646 1 2 . 1 1 51 51 PHE H H 51 7.439 7.439 7.959 -0.520 19298 647 1 2 . 1 1 52 52 ARG N N 52 120.680 120.680 120.007 0.673 19298 648 1 2 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.150 -0.407 19298 649 1 2 . 1 1 52 52 ARG CA C 52 59.920 59.920 59.882 0.038 19298 650 1 2 . 1 1 52 52 ARG H H 52 7.865 7.865 7.484 0.381 19298 651 1 2 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.292 -0.090 19298 652 1 2 . 1 1 53 53 PRO C C 53 176.600 176.600 176.551 0.049 19298 653 1 2 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.816 0.724 19298 654 1 2 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.704 -0.744 19298 655 1 2 . 1 1 54 54 PHE N N 54 117.470 117.470 120.783 -3.313 19298 656 1 2 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.657 -0.401 19298 657 1 2 . 1 1 54 54 PHE C C 54 175.500 175.500 174.867 0.633 19298 658 1 2 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.355 2.845 19298 659 1 2 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.362 0.318 19298 660 1 2 . 1 1 54 54 PHE H H 54 7.943 7.943 7.512 0.431 19298 661 1 2 . 1 1 55 55 LYS N N 55 126.460 126.460 124.023 2.437 19298 662 1 2 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.388 -0.235 19298 663 1 2 . 1 1 55 55 LYS C C 55 177.900 177.900 176.817 1.083 19298 664 1 2 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.032 1.008 19298 665 1 2 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.200 1.330 19298 666 1 2 . 1 1 55 55 LYS H H 55 8.571 8.571 7.907 0.664 19298 667 1 2 . 1 1 56 56 GLY N N 56 112.780 112.780 111.372 1.408 19298 668 1 2 . 1 1 56 56 GLY C C 56 174.830 174.830 174.022 0.808 19298 669 1 2 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.963 0.187 19298 670 1 2 . 1 1 56 56 GLY H H 56 9.045 9.045 8.439 0.606 19298 671 1 2 . 1 1 57 57 TYR N N 57 121.700 121.700 123.943 -2.243 19298 672 1 2 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.660 -0.584 19298 673 1 2 . 1 1 57 57 TYR C C 57 175.260 175.260 175.349 -0.089 19298 674 1 2 . 1 1 57 57 TYR CA C 57 59.650 59.650 58.801 0.849 19298 675 1 2 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.884 0.306 19298 676 1 2 . 1 1 57 57 TYR H H 57 7.560 7.560 7.965 -0.405 19298 677 1 2 . 1 1 58 58 GLU N N 58 128.500 128.500 128.207 0.293 19298 678 1 2 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.240 0.028 19298 679 1 2 . 1 1 58 58 GLU C C 58 175.700 175.700 175.825 -0.125 19298 680 1 2 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.418 -1.078 19298 681 1 2 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.074 0.656 19298 682 1 2 . 1 1 58 58 GLU H H 58 8.356 8.356 8.455 -0.099 19298 683 1 2 . 1 1 59 59 GLY N N 59 104.920 104.920 106.966 -2.046 19298 684 1 2 . 1 1 59 59 GLY C C 59 170.310 170.310 171.988 -1.678 19298 685 1 2 . 1 1 59 59 GLY CA C 59 45.530 45.530 45.015 0.515 19298 686 1 2 . 1 1 59 59 GLY H H 59 6.411 6.411 7.461 -1.050 19298 687 1 2 . 1 1 60 60 SER N N 60 110.020 110.020 115.647 -5.627 19298 688 1 2 . 1 1 60 60 SER HA H 60 5.468 5.468 5.254 0.214 19298 689 1 2 . 1 1 60 60 SER C C 60 172.470 172.470 173.491 -1.021 19298 690 1 2 . 1 1 60 60 SER CA C 60 57.170 57.170 56.810 0.360 19298 691 1 2 . 1 1 60 60 SER CB C 60 66.610 66.610 66.218 0.392 19298 692 1 2 . 1 1 60 60 SER H H 60 8.280 8.280 8.380 -0.100 19298 693 1 2 . 1 1 61 61 LEU N N 61 118.490 118.490 126.377 -7.887 19298 694 1 2 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.832 -0.089 19298 695 1 2 . 1 1 61 61 LEU C C 61 174.600 174.600 174.621 -0.021 19298 696 1 2 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.516 1.164 19298 697 1 2 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.145 1.235 19298 698 1 2 . 1 1 61 61 LEU H H 61 8.953 8.953 9.073 -0.120 19298 699 1 2 . 1 1 62 62 ILE N N 62 120.760 120.760 127.352 -6.592 19298 700 1 2 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.859 0.058 19298 701 1 2 . 1 1 62 62 ILE C C 62 175.600 175.600 175.576 0.024 19298 702 1 2 . 1 1 62 62 ILE CA C 62 59.490 59.490 60.581 -1.091 19298 703 1 2 . 1 1 62 62 ILE CB C 62 39.920 39.920 39.090 0.830 19298 704 1 2 . 1 1 62 62 ILE H H 62 8.639 8.639 8.534 0.105 19298 705 1 2 . 1 1 63 63 LYS N N 63 127.240 127.240 128.163 -0.923 19298 706 1 2 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.717 -0.015 19298 707 1 2 . 1 1 63 63 LYS C C 63 174.700 174.700 174.388 0.312 19298 708 1 2 . 1 1 63 63 LYS CA C 63 54.550 54.550 53.868 0.682 19298 709 1 2 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.519 -0.029 19298 710 1 2 . 1 1 63 63 LYS H H 63 9.145 9.145 9.048 0.097 19298 711 1 2 . 1 1 64 64 LEU N N 64 124.700 124.700 127.998 -3.298 19298 712 1 2 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.493 0.209 19298 713 1 2 . 1 1 64 64 LEU C C 64 177.470 177.470 176.100 1.370 19298 714 1 2 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.099 -0.509 19298 715 1 2 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.140 1.280 19298 716 1 2 . 1 1 64 64 LEU H H 64 8.648 8.648 8.762 -0.114 19298 717 1 2 . 1 1 65 65 THR N N 65 116.860 116.860 123.140 -6.280 19298 718 1 2 . 1 1 65 65 THR HA H 65 4.521 4.521 4.466 0.055 19298 719 1 2 . 1 1 65 65 THR C C 65 174.160 174.160 174.232 -0.072 19298 720 1 2 . 1 1 65 65 THR CA C 65 60.990 60.990 61.094 -0.104 19298 721 1 2 . 1 1 65 65 THR CB C 65 70.630 70.630 70.849 -0.219 19298 722 1 2 . 1 1 65 65 THR H H 65 8.330 8.330 7.700 0.630 19298 723 1 2 . 1 1 66 66 ALA N N 66 127.310 127.310 124.648 2.662 19298 724 1 2 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.122 0.048 19298 725 1 2 . 1 1 66 66 ALA C C 66 177.060 177.060 178.922 -1.862 19298 726 1 2 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.436 -0.846 19298 727 1 2 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.656 -0.596 19298 728 1 2 . 1 1 66 66 ALA H H 66 8.834 8.834 8.657 0.177 19298 729 1 2 . 1 1 67 67 ARG N N 67 113.660 113.660 118.247 -4.587 19298 730 1 2 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.277 -0.213 19298 731 1 2 . 1 1 67 67 ARG C C 67 175.400 175.400 175.042 0.358 19298 732 1 2 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.696 0.615 19298 733 1 2 . 1 1 67 67 ARG CB C 67 29.770 29.770 30.716 -0.946 19298 734 1 2 . 1 1 67 67 ARG H H 67 8.335 8.335 8.412 -0.077 19298 735 1 2 . 1 1 68 68 GLN N N 68 118.790 118.790 115.121 3.669 19298 736 1 2 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.756 0.059 19298 737 1 2 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.603 0.677 19298 738 1 2 . 1 1 68 68 GLN H H 68 7.832 7.832 7.818 0.014 19298 739 1 2 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.672 0.174 19298 740 1 2 . 1 1 69 69 PRO C C 69 175.480 175.480 176.933 -1.453 19298 741 1 2 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.978 -0.078 19298 742 1 2 . 1 1 69 69 PRO CB C 69 32.450 32.450 30.938 1.512 19298 743 1 2 . 1 1 70 70 VAL N N 70 117.700 117.700 120.738 -3.038 19298 744 1 2 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.243 0.299 19298 745 1 2 . 1 1 70 70 VAL C C 70 174.470 174.470 175.129 -0.659 19298 746 1 2 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.315 -0.275 19298 747 1 2 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.267 1.653 19298 748 1 2 . 1 1 70 70 VAL H H 70 8.722 8.722 8.615 0.107 19298 749 1 2 . 1 1 71 71 GLY N N 71 107.930 107.930 107.856 0.074 19298 750 1 2 . 1 1 71 71 GLY C C 71 171.000 171.000 172.649 -1.649 19298 751 1 2 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.984 0.006 19298 752 1 2 . 1 1 71 71 GLY H H 71 8.716 8.716 8.234 0.482 19298 753 1 2 . 1 1 72 72 PHE N N 72 119.400 119.400 125.880 -6.480 19298 754 1 2 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.106 0.529 19298 755 1 2 . 1 1 72 72 PHE C C 72 175.350 175.350 175.459 -0.109 19298 756 1 2 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.605 -0.775 19298 757 1 2 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.645 2.465 19298 758 1 2 . 1 1 72 72 PHE H H 72 8.934 8.934 9.335 -0.401 19298 759 1 2 . 1 1 73 73 VAL N N 73 122.000 122.000 125.614 -3.614 19298 760 1 2 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.538 0.025 19298 761 1 2 . 1 1 73 73 VAL C C 73 172.930 172.930 174.719 -1.789 19298 762 1 2 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.363 -0.603 19298 763 1 2 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.856 1.714 19298 764 1 2 . 1 1 73 73 VAL H H 73 8.934 8.934 9.304 -0.370 19298 765 1 2 . 1 1 74 74 ILE N N 74 128.000 128.000 127.586 0.414 19298 766 1 2 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.920 -0.053 19298 767 1 2 . 1 1 74 74 ILE C C 74 173.700 173.700 174.125 -0.425 19298 768 1 2 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.365 1.515 19298 769 1 2 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.978 -6.578 19298 770 1 2 . 1 1 74 74 ILE H H 74 8.702 8.702 8.681 0.021 19298 771 1 2 . 1 1 75 75 PHE N N 75 125.200 125.200 127.517 -2.317 19298 772 1 2 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.062 0.085 19298 773 1 2 . 1 1 75 75 PHE C C 75 175.880 175.880 176.072 -0.192 19298 774 1 2 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.464 -1.244 19298 775 1 2 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.418 3.262 19298 776 1 2 . 1 1 75 75 PHE H H 75 8.200 8.200 9.133 -0.933 19298 777 1 2 . 1 1 76 76 ASP N N 76 119.150 119.150 120.348 -1.198 19298 778 1 2 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.414 -0.137 19298 779 1 2 . 1 1 76 76 ASP C C 76 176.020 176.020 175.645 0.375 19298 780 1 2 . 1 1 76 76 ASP CA C 76 55.580 55.580 57.402 -1.822 19298 781 1 2 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.870 -1.351 19298 782 1 2 . 1 1 76 76 ASP H H 76 9.400 9.400 9.099 0.301 19298 783 1 2 . 1 1 77 77 SER N N 77 111.280 111.280 108.879 2.401 19298 784 1 2 . 1 1 77 77 SER HA H 77 4.683 4.683 4.791 -0.108 19298 785 1 2 . 1 1 77 77 SER C C 77 173.670 173.670 174.551 -0.881 19298 786 1 2 . 1 1 77 77 SER CA C 77 56.620 56.620 57.252 -0.631 19298 787 1 2 . 1 1 77 77 SER CB C 77 66.470 66.470 67.089 -0.619 19298 788 1 2 . 1 1 77 77 SER H H 77 7.804 7.804 7.668 0.136 19298 789 1 2 . 1 1 78 78 ARG N N 78 125.240 125.240 121.327 3.913 19298 790 1 2 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.520 -0.490 19298 791 1 2 . 1 1 78 78 ARG C C 78 177.710 177.710 177.865 -0.155 19298 792 1 2 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.715 1.155 19298 793 1 2 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.574 0.226 19298 794 1 2 . 1 1 78 78 ARG H H 78 9.348 9.348 9.722 -0.374 19298 795 1 2 . 1 1 79 79 ALA N N 79 120.700 120.700 121.766 -1.066 19298 796 1 2 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.561 -0.361 19298 797 1 2 . 1 1 79 79 ALA C C 79 181.360 181.360 179.282 2.078 19298 798 1 2 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.337 0.943 19298 799 1 2 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.327 -0.177 19298 800 1 2 . 1 1 79 79 ALA H H 79 8.660 8.660 8.245 0.415 19298 801 1 2 . 1 1 80 80 GLY N N 80 107.500 107.500 106.280 1.220 19298 802 1 2 . 1 1 80 80 GLY C C 80 175.710 175.710 175.414 0.296 19298 803 1 2 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.942 0.848 19298 804 1 2 . 1 1 80 80 GLY H H 80 8.161 8.161 7.323 0.838 19298 805 1 2 . 1 1 81 81 ALA N N 81 124.650 124.650 125.096 -0.446 19298 806 1 2 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.150 -0.574 19298 807 1 2 . 1 1 81 81 ALA C C 81 178.570 178.570 178.978 -0.408 19298 808 1 2 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.704 -0.484 19298 809 1 2 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.602 -0.422 19298 810 1 2 . 1 1 81 81 ALA H H 81 7.298 7.298 7.833 -0.535 19298 811 1 2 . 1 1 82 82 GLU N N 82 118.890 118.890 117.872 1.018 19298 812 1 2 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.937 -0.206 19298 813 1 2 . 1 1 82 82 GLU C C 82 177.800 177.800 178.272 -0.472 19298 814 1 2 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.303 0.257 19298 815 1 2 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.320 0.540 19298 816 1 2 . 1 1 82 82 GLU H H 82 8.930 8.930 8.732 0.198 19298 817 1 2 . 1 1 83 83 ALA N N 83 119.410 119.410 121.603 -2.193 19298 818 1 2 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.179 -0.062 19298 819 1 2 . 1 1 83 83 ALA C C 83 180.810 180.810 179.551 1.259 19298 820 1 2 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.521 0.369 19298 821 1 2 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.163 -0.013 19298 822 1 2 . 1 1 83 83 ALA H H 83 7.572 7.572 7.608 -0.036 19298 823 1 2 . 1 1 84 84 ALA N N 84 120.280 120.280 121.004 -0.724 19298 824 1 2 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.281 -1.141 19298 825 1 2 . 1 1 84 84 ALA C C 84 178.010 178.010 179.381 -1.371 19298 826 1 2 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.142 -0.412 19298 827 1 2 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.328 0.382 19298 828 1 2 . 1 1 84 84 ALA H H 84 6.950 6.950 7.767 -0.817 19298 829 1 2 . 1 1 85 85 LYS N N 85 118.040 118.040 117.839 0.201 19298 830 1 2 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.830 -0.242 19298 831 1 2 . 1 1 85 85 LYS C C 85 177.700 177.700 178.569 -0.869 19298 832 1 2 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.382 0.178 19298 833 1 2 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.703 0.387 19298 834 1 2 . 1 1 85 85 LYS H H 85 8.042 8.042 8.203 -0.161 19298 835 1 2 . 1 1 86 86 ASN N N 86 114.630 114.630 118.396 -3.766 19298 836 1 2 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.417 0.056 19298 837 1 2 . 1 1 86 86 ASN C C 86 177.320 177.320 176.488 0.832 19298 838 1 2 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.563 -0.493 19298 839 1 2 . 1 1 86 86 ASN CB C 86 37.990 37.990 37.978 0.012 19298 840 1 2 . 1 1 86 86 ASN H H 86 8.087 8.087 7.890 0.197 19298 841 1 2 . 1 1 87 87 ALA N N 87 120.200 120.200 120.471 -0.271 19298 842 1 2 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.235 0.072 19298 843 1 2 . 1 1 87 87 ALA C C 87 179.630 179.630 178.764 0.866 19298 844 1 2 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.097 0.203 19298 845 1 2 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.552 0.628 19298 846 1 2 . 1 1 87 87 ALA H H 87 7.557 7.557 7.431 0.126 19298 847 1 2 . 1 1 88 88 LEU N N 88 114.210 114.210 117.224 -3.014 19298 848 1 2 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.329 0.084 19298 849 1 2 . 1 1 88 88 LEU C C 88 176.580 176.580 176.890 -0.310 19298 850 1 2 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.901 -0.491 19298 851 1 2 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.456 1.874 19298 852 1 2 . 1 1 88 88 LEU H H 88 7.561 7.561 7.886 -0.325 19298 853 1 2 . 1 1 89 89 ASN N N 89 117.970 117.970 117.261 0.709 19298 854 1 2 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.548 -0.292 19298 855 1 2 . 1 1 89 89 ASN C C 89 177.700 177.700 176.321 1.379 19298 856 1 2 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.919 2.071 19298 857 1 2 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.349 0.221 19298 858 1 2 . 1 1 89 89 ASN H H 89 7.550 7.550 8.047 -0.497 19298 859 1 2 . 1 1 90 90 GLY N N 90 112.220 112.220 111.746 0.474 19298 860 1 2 . 1 1 90 90 GLY C C 90 174.360 174.360 173.331 1.029 19298 861 1 2 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.730 1.030 19298 862 1 2 . 1 1 90 90 GLY H H 90 8.734 8.734 9.041 -0.307 19298 863 1 2 . 1 1 91 91 ILE N N 91 115.840 115.840 121.780 -5.940 19298 864 1 2 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.231 0.245 19298 865 1 2 . 1 1 91 91 ILE C C 91 175.940 175.940 174.037 1.903 19298 866 1 2 . 1 1 91 91 ILE CA C 91 60.520 60.520 60.044 0.476 19298 867 1 2 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.997 -0.977 19298 868 1 2 . 1 1 91 91 ILE H H 91 7.518 7.518 7.580 -0.062 19298 869 1 2 . 1 1 92 92 ARG N N 92 120.160 120.160 128.486 -8.326 19298 870 1 2 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.435 0.042 19298 871 1 2 . 1 1 92 92 ARG C C 92 175.840 175.840 175.772 0.068 19298 872 1 2 . 1 1 92 92 ARG CA C 92 56.660 56.660 55.871 0.789 19298 873 1 2 . 1 1 92 92 ARG CB C 92 30.550 30.550 31.312 -0.762 19298 874 1 2 . 1 1 92 92 ARG H H 92 8.461 8.461 8.669 -0.208 19298 875 1 2 . 1 1 93 93 PHE N N 93 126.780 126.780 127.172 -0.392 19298 876 1 2 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.295 -0.238 19298 877 1 2 . 1 1 93 93 PHE C C 93 171.620 171.620 175.324 -3.704 19298 878 1 2 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.975 1.035 19298 879 1 2 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.827 0.653 19298 880 1 2 . 1 1 93 93 PHE H H 93 8.443 8.443 9.058 -0.615 19298 881 1 2 . 1 1 94 94 ASP N N 94 110.650 110.650 115.389 -4.739 19298 882 1 2 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.955 -0.086 19298 883 1 2 . 1 1 94 94 ASP CA C 94 48.530 48.530 52.397 -3.867 19298 884 1 2 . 1 1 94 94 ASP H H 94 7.860 7.860 7.830 0.030 19298 885 1 2 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.328 -0.481 19298 886 1 2 . 1 1 95 95 PRO C C 95 177.650 177.650 176.682 0.968 19298 887 1 2 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.289 -0.999 19298 888 1 2 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.410 -0.320 19298 889 1 2 . 1 1 96 96 GLU N N 96 115.270 115.270 116.343 -1.073 19298 890 1 2 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.434 -0.209 19298 891 1 2 . 1 1 96 96 GLU C C 96 175.310 175.310 176.005 -0.695 19298 892 1 2 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.121 0.049 19298 893 1 2 . 1 1 96 96 GLU CB C 96 30.000 30.000 28.849 1.151 19298 894 1 2 . 1 1 96 96 GLU H H 96 7.944 7.944 8.414 -0.470 19298 895 1 2 . 1 1 97 97 ASN N N 97 121.610 121.610 118.513 3.097 19298 896 1 2 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.172 0.030 19298 897 1 2 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.642 0.219 19298 898 1 2 . 1 1 97 97 ASN H H 97 8.190 8.190 7.702 0.488 19298 899 1 2 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.432 -0.263 19298 900 1 2 . 1 1 98 98 PRO C C 98 176.940 176.940 176.932 0.008 19298 901 1 2 . 1 1 98 98 PRO CA C 98 63.290 63.290 64.091 -0.800 19298 902 1 2 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.838 0.372 19298 903 1 2 . 1 1 99 99 GLN N N 99 120.230 120.230 119.013 1.217 19298 904 1 2 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.513 -0.330 19298 905 1 2 . 1 1 99 99 GLN C C 99 176.660 176.660 174.755 1.905 19298 906 1 2 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.131 1.949 19298 907 1 2 . 1 1 99 99 GLN CB C 99 28.990 28.990 30.798 -1.808 19298 908 1 2 . 1 1 99 99 GLN H H 99 8.174 8.174 7.903 0.271 19298 909 1 2 . 1 1 100 100 THR N N 100 117.080 117.080 111.445 5.635 19298 910 1 2 . 1 1 100 100 THR HA H 100 4.784 4.784 4.517 0.267 19298 911 1 2 . 1 1 100 100 THR C C 100 174.540 174.540 173.275 1.265 19298 912 1 2 . 1 1 100 100 THR CA C 100 59.870 59.870 60.141 -0.271 19298 913 1 2 . 1 1 100 100 THR CB C 100 71.920 71.920 71.435 0.485 19298 914 1 2 . 1 1 100 100 THR H H 100 8.241 8.241 8.013 0.228 19298 915 1 2 . 1 1 101 101 LEU N N 101 120.720 120.720 123.007 -2.287 19298 916 1 2 . 1 1 101 101 LEU HA H 101 4.639 4.639 4.961 -0.322 19298 917 1 2 . 1 1 101 101 LEU C C 101 177.930 177.930 175.476 2.454 19298 918 1 2 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.465 0.195 19298 919 1 2 . 1 1 101 101 LEU CB C 101 44.480 44.480 42.848 1.632 19298 920 1 2 . 1 1 101 101 LEU H H 101 8.809 8.809 9.191 -0.382 19298 921 1 2 . 1 1 102 102 ARG N N 102 124.040 124.040 124.251 -0.211 19298 922 1 2 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.580 0.391 19298 923 1 2 . 1 1 102 102 ARG C C 102 174.500 174.500 173.611 0.889 19298 924 1 2 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.606 0.104 19298 925 1 2 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.363 -0.363 19298 926 1 2 . 1 1 102 102 ARG H H 102 8.327 8.327 8.417 -0.090 19298 927 1 2 . 1 1 103 103 LEU N N 103 125.780 125.780 128.138 -2.358 19298 928 1 2 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.904 0.466 19298 929 1 2 . 1 1 103 103 LEU C C 103 174.660 174.660 175.476 -0.816 19298 930 1 2 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.084 0.576 19298 931 1 2 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.642 2.138 19298 932 1 2 . 1 1 103 103 LEU H H 103 8.825 8.825 8.608 0.217 19298 933 1 2 . 1 1 104 104 GLU N N 104 119.100 119.100 121.878 -2.778 19298 934 1 2 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.337 0.172 19298 935 1 2 . 1 1 104 104 GLU C C 104 175.110 175.110 174.832 0.278 19298 936 1 2 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.247 0.193 19298 937 1 2 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.682 0.338 19298 938 1 2 . 1 1 104 104 GLU H H 104 8.348 8.348 7.894 0.454 19298 939 1 2 . 1 1 105 105 PHE N N 105 121.070 121.070 121.255 -0.185 19298 940 1 2 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.724 -0.113 19298 941 1 2 . 1 1 105 105 PHE C C 105 177.060 177.060 176.808 0.252 19298 942 1 2 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.719 1.471 19298 943 1 2 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.537 -0.357 19298 944 1 2 . 1 1 105 105 PHE H H 105 9.227 9.227 8.631 0.596 19298 945 1 2 . 1 1 106 106 ALA N N 106 124.890 124.890 126.587 -1.697 19298 946 1 2 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.728 -0.303 19298 947 1 2 . 1 1 106 106 ALA C C 106 175.860 175.860 177.020 -1.160 19298 948 1 2 . 1 1 106 106 ALA CA C 106 51.280 51.280 51.792 -0.513 19298 949 1 2 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.098 -0.348 19298 950 1 2 . 1 1 106 106 ALA H H 106 9.567 9.567 8.904 0.663 19298 951 1 2 . 1 1 107 107 LYS N N 107 117.510 117.510 120.568 -3.058 19298 952 1 2 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.321 -0.149 19298 953 1 2 . 1 1 107 107 LYS C C 107 176.060 176.060 175.518 0.542 19298 954 1 2 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.278 -0.128 19298 955 1 2 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.544 -0.044 19298 956 1 2 . 1 1 107 107 LYS H H 107 8.581 8.581 8.624 -0.043 19298 957 1 2 . 1 1 108 108 ALA N N 108 118.700 118.700 121.376 -2.676 19298 958 1 2 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.454 -0.080 19298 959 1 2 . 1 1 108 108 ALA C C 108 176.650 176.650 175.503 1.147 19298 960 1 2 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.338 -0.468 19298 961 1 2 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.449 1.071 19298 962 1 2 . 1 1 108 108 ALA H H 108 7.731 7.731 7.622 0.109 19298 963 1 2 . 1 1 109 109 ASN N N 109 116.530 116.530 122.682 -6.152 19298 964 1 2 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.709 0.264 19298 965 1 2 . 1 1 109 109 ASN C C 109 175.940 175.940 174.887 1.053 19298 966 1 2 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.333 -0.203 19298 967 1 2 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.582 0.088 19298 968 1 2 . 1 1 109 109 ASN H H 109 8.936 8.936 8.535 0.401 19298 969 1 2 . 1 1 110 110 THR N N 110 116.260 116.260 120.774 -4.514 19298 970 1 2 . 1 1 110 110 THR HA H 110 4.153 4.153 4.361 -0.208 19298 971 1 2 . 1 1 110 110 THR C C 110 173.240 173.240 173.651 -0.411 19298 972 1 2 . 1 1 110 110 THR CA C 110 61.990 61.990 61.428 0.562 19298 973 1 2 . 1 1 110 110 THR CB C 110 69.830 69.830 69.091 0.739 19298 974 1 2 . 1 1 110 110 THR H H 110 7.437 7.437 8.206 -0.769 19298 975 1 2 . 1 1 111 111 LYS N N 111 124.500 124.500 125.369 -0.869 19298 976 1 2 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.255 -0.008 19298 977 1 2 . 1 1 111 111 LYS C C 111 176.140 176.140 176.455 -0.315 19298 978 1 2 . 1 1 111 111 LYS CA C 111 55.930 55.930 56.094 -0.164 19298 979 1 2 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.798 -0.098 19298 980 1 2 . 1 1 111 111 LYS H H 111 8.248 8.248 8.179 0.069 19298 981 1 2 . 1 1 112 112 MET N N 112 122.000 122.000 121.511 0.489 19298 982 1 2 . 1 1 112 112 MET HA H 112 4.408 4.408 4.498 -0.090 19298 983 1 2 . 1 1 112 112 MET C C 112 175.550 175.550 175.904 -0.354 19298 984 1 2 . 1 1 112 112 MET CA C 112 54.780 54.780 54.475 0.305 19298 985 1 2 . 1 1 112 112 MET CB C 112 33.280 33.280 33.862 -0.582 19298 986 1 2 . 1 1 112 112 MET H H 112 8.290 8.290 8.116 0.174 19298 987 1 2 . 1 1 113 113 ALA N N 113 125.150 125.150 124.933 0.217 19298 988 1 2 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.163 0.093 19298 989 1 2 . 1 1 113 113 ALA C C 113 177.580 177.580 176.339 1.241 19298 990 1 2 . 1 1 113 113 ALA CA C 113 52.470 52.470 53.076 -0.606 19298 991 1 2 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.932 1.208 19298 992 1 2 . 1 1 113 113 ALA H H 113 8.213 8.213 8.416 -0.203 19298 993 1 2 . 1 1 114 114 LYS N N 114 120.740 120.740 124.522 -3.782 19298 994 1 2 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.446 -0.190 19298 995 1 2 . 1 1 114 114 LYS C C 114 176.790 176.790 175.668 1.122 19298 996 1 2 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.166 0.174 19298 997 1 2 . 1 1 114 114 LYS CB C 114 32.870 32.870 34.890 -2.020 19298 998 1 2 . 1 1 114 114 LYS H H 114 8.261 8.261 8.246 0.015 19298 999 1 2 . 1 1 115 115 SER N N 115 116.780 116.780 120.966 -4.186 19298 1000 1 2 . 1 1 115 115 SER HA H 115 4.393 4.393 4.552 -0.159 19298 1001 1 2 . 1 1 115 115 SER C C 115 174.710 174.710 175.036 -0.326 19298 1002 1 2 . 1 1 115 115 SER CA C 115 58.410 58.410 58.048 0.361 19298 1003 1 2 . 1 1 115 115 SER CB C 115 63.870 63.870 63.343 0.527 19298 1004 1 2 . 1 1 115 115 SER H H 115 8.268 8.268 8.779 -0.511 19298 1005 1 2 . 1 1 116 116 LYS N N 116 123.210 123.210 128.919 -5.709 19298 1006 1 2 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.314 -0.023 19298 1007 1 2 . 1 1 116 116 LYS C C 116 176.400 176.400 175.997 0.403 19298 1008 1 2 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.630 -0.300 19298 1009 1 2 . 1 1 116 116 LYS CB C 116 32.710 32.710 32.926 -0.216 19298 1010 1 2 . 1 1 116 116 LYS H H 116 8.346 8.346 8.881 -0.535 19298 1011 1 2 . 1 1 117 117 LEU N N 117 122.470 122.470 121.274 1.196 19298 1012 1 2 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.049 0.227 19298 1013 1 2 . 1 1 117 117 LEU C C 117 177.080 177.080 176.250 0.830 19298 1014 1 2 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.567 -0.517 19298 1015 1 2 . 1 1 117 117 LEU CB C 117 42.210 42.210 41.115 1.095 19298 1016 1 2 . 1 1 117 117 LEU H H 117 8.093 8.093 7.922 0.171 19298 1017 1 3 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.602 -0.236 19298 1018 1 3 . 1 1 27 27 GLU C C 27 176.230 176.230 176.236 -0.006 19298 1019 1 3 . 1 1 27 27 GLU CA C 27 56.240 56.240 55.772 0.468 19298 1020 1 3 . 1 1 27 27 GLU CB C 27 30.720 30.720 31.222 -0.502 19298 1021 1 3 . 1 1 28 28 GLU N N 28 122.500 122.500 123.779 -1.279 19298 1022 1 3 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.375 -0.113 19298 1023 1 3 . 1 1 28 28 GLU C C 28 175.860 175.860 176.012 -0.152 19298 1024 1 3 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.458 -0.098 19298 1025 1 3 . 1 1 28 28 GLU CB C 28 30.510 30.510 28.966 1.544 19298 1026 1 3 . 1 1 28 28 GLU H H 28 8.521 8.521 8.698 -0.177 19298 1027 1 3 . 1 1 29 29 GLU N N 29 123.290 123.290 121.800 1.490 19298 1028 1 3 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.422 -0.191 19298 1029 1 3 . 1 1 29 29 GLU C C 29 176.740 176.740 176.190 0.550 19298 1030 1 3 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.326 1.034 19298 1031 1 3 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.919 -0.079 19298 1032 1 3 . 1 1 29 29 GLU H H 29 8.521 8.521 7.905 0.616 19298 1033 1 3 . 1 1 30 30 VAL N N 30 125.640 125.640 121.256 4.384 19298 1034 1 3 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.060 -0.253 19298 1035 1 3 . 1 1 30 30 VAL C C 30 175.110 175.110 175.866 -0.756 19298 1036 1 3 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.780 1.300 19298 1037 1 3 . 1 1 30 30 VAL CB C 30 31.330 31.330 30.923 0.407 19298 1038 1 3 . 1 1 30 30 VAL H H 30 8.715 8.715 8.431 0.284 19298 1039 1 3 . 1 1 31 31 ARG N N 31 124.730 124.730 127.769 -3.039 19298 1040 1 3 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.627 0.047 19298 1041 1 3 . 1 1 31 31 ARG C C 31 172.600 172.600 176.889 -4.289 19298 1042 1 3 . 1 1 31 31 ARG CA C 31 54.580 54.580 57.715 -3.135 19298 1043 1 3 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.491 -1.740 19298 1044 1 3 . 1 1 31 31 ARG H H 31 9.378 9.378 9.350 0.028 19298 1045 1 3 . 1 1 32 32 THR N N 32 115.380 115.380 117.348 -1.968 19298 1046 1 3 . 1 1 32 32 THR HA H 32 5.471 5.471 5.492 -0.021 19298 1047 1 3 . 1 1 32 32 THR C C 32 173.810 173.810 173.840 -0.030 19298 1048 1 3 . 1 1 32 32 THR CA C 32 61.250 61.250 63.201 -1.951 19298 1049 1 3 . 1 1 32 32 THR CB C 32 71.360 71.360 70.224 1.136 19298 1050 1 3 . 1 1 32 32 THR H H 32 7.144 7.144 8.178 -1.034 19298 1051 1 3 . 1 1 33 33 LEU N N 33 124.600 124.600 125.543 -0.943 19298 1052 1 3 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.389 -0.462 19298 1053 1 3 . 1 1 33 33 LEU C C 33 174.960 174.960 175.225 -0.265 19298 1054 1 3 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.653 -0.763 19298 1055 1 3 . 1 1 33 33 LEU CB C 33 44.910 44.910 46.054 -1.144 19298 1056 1 3 . 1 1 33 33 LEU H H 33 9.701 9.701 9.277 0.424 19298 1057 1 3 . 1 1 34 34 PHE N N 34 122.600 122.600 120.381 2.219 19298 1058 1 3 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.051 0.038 19298 1059 1 3 . 1 1 34 34 PHE C C 34 174.530 174.530 174.248 0.282 19298 1060 1 3 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.098 0.642 19298 1061 1 3 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.154 2.256 19298 1062 1 3 . 1 1 34 34 PHE H H 34 9.411 9.411 9.167 0.244 19298 1063 1 3 . 1 1 35 35 VAL N N 35 127.050 127.050 128.675 -1.625 19298 1064 1 3 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.737 -0.011 19298 1065 1 3 . 1 1 35 35 VAL C C 35 173.520 173.520 175.640 -2.120 19298 1066 1 3 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.686 -1.036 19298 1067 1 3 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.092 2.078 19298 1068 1 3 . 1 1 35 35 VAL H H 35 8.878 8.878 8.759 0.119 19298 1069 1 3 . 1 1 36 36 SER N N 36 120.260 120.260 122.721 -2.461 19298 1070 1 3 . 1 1 36 36 SER HA H 36 4.876 4.876 4.810 0.066 19298 1071 1 3 . 1 1 36 36 SER C C 36 173.170 173.170 174.747 -1.577 19298 1072 1 3 . 1 1 36 36 SER CA C 36 56.700 56.700 56.623 0.076 19298 1073 1 3 . 1 1 36 36 SER CB C 36 65.440 65.440 66.147 -0.707 19298 1074 1 3 . 1 1 36 36 SER H H 36 8.964 8.964 8.967 -0.003 19298 1075 1 3 . 1 1 37 37 GLY N N 37 108.690 108.690 109.122 -0.432 19298 1076 1 3 . 1 1 37 37 GLY C C 37 174.150 174.150 173.707 0.443 19298 1077 1 3 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.180 0.350 19298 1078 1 3 . 1 1 37 37 GLY H H 37 8.567 8.567 8.661 -0.094 19298 1079 1 3 . 1 1 38 38 LEU N N 38 118.640 118.640 121.237 -2.597 19298 1080 1 3 . 1 1 38 38 LEU HA H 38 3.901 3.901 3.938 -0.037 19298 1081 1 3 . 1 1 38 38 LEU CA C 38 51.410 51.410 53.184 -1.774 19298 1082 1 3 . 1 1 38 38 LEU H H 38 7.426 7.426 7.925 -0.499 19298 1083 1 3 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.260 0.290 19298 1084 1 3 . 1 1 39 39 PRO C C 39 177.540 177.540 177.584 -0.044 19298 1085 1 3 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.589 -0.459 19298 1086 1 3 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.277 -0.067 19298 1087 1 3 . 1 1 40 40 VAL N N 40 114.990 114.990 118.564 -3.574 19298 1088 1 3 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.919 -0.235 19298 1089 1 3 . 1 1 40 40 VAL C C 40 175.650 175.650 175.116 0.534 19298 1090 1 3 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.227 1.233 19298 1091 1 3 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.565 0.165 19298 1092 1 3 . 1 1 40 40 VAL H H 40 8.311 8.311 8.492 -0.181 19298 1093 1 3 . 1 1 41 41 ASP N N 41 117.410 117.410 117.705 -0.295 19298 1094 1 3 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.665 0.019 19298 1095 1 3 . 1 1 41 41 ASP C C 41 176.140 176.140 176.150 -0.010 19298 1096 1 3 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.912 -1.112 19298 1097 1 3 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.436 -0.756 19298 1098 1 3 . 1 1 41 41 ASP H H 41 7.809 7.809 7.957 -0.148 19298 1099 1 3 . 1 1 42 42 ILE N N 42 119.180 119.180 118.021 1.159 19298 1100 1 3 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.441 -0.357 19298 1101 1 3 . 1 1 42 42 ILE C C 42 173.940 173.940 176.432 -2.492 19298 1102 1 3 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.289 -0.519 19298 1103 1 3 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.584 1.156 19298 1104 1 3 . 1 1 42 42 ILE H H 42 7.098 7.098 7.468 -0.370 19298 1105 1 3 . 1 1 43 43 LYS N N 43 126.520 126.520 127.617 -1.097 19298 1106 1 3 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.744 0.249 19298 1107 1 3 . 1 1 43 43 LYS CA C 43 53.600 53.600 53.124 0.476 19298 1108 1 3 . 1 1 43 43 LYS H H 43 8.963 8.963 9.531 -0.568 19298 1109 1 3 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.253 -0.153 19298 1110 1 3 . 1 1 44 44 PRO C C 44 180.110 180.110 177.758 2.352 19298 1111 1 3 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.452 1.238 19298 1112 1 3 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.890 -0.080 19298 1113 1 3 . 1 1 45 45 ARG N N 45 115.440 115.440 117.371 -1.931 19298 1114 1 3 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.354 -0.111 19298 1115 1 3 . 1 1 45 45 ARG C C 45 176.200 176.200 177.958 -1.758 19298 1116 1 3 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.243 0.307 19298 1117 1 3 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.736 1.684 19298 1118 1 3 . 1 1 45 45 ARG H H 45 8.922 8.922 8.707 0.215 19298 1119 1 3 . 1 1 46 46 GLU N N 46 119.720 119.720 121.357 -1.637 19298 1120 1 3 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.206 -0.168 19298 1121 1 3 . 1 1 46 46 GLU C C 46 178.820 178.820 179.146 -0.326 19298 1122 1 3 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.325 0.885 19298 1123 1 3 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.519 1.361 19298 1124 1 3 . 1 1 46 46 GLU H H 46 8.340 8.340 8.057 0.283 19298 1125 1 3 . 1 1 47 47 LEU N N 47 115.570 115.570 119.546 -3.976 19298 1126 1 3 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.298 0.075 19298 1127 1 3 . 1 1 47 47 LEU C C 47 178.380 178.380 178.843 -0.463 19298 1128 1 3 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.913 -0.393 19298 1129 1 3 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.655 0.025 19298 1130 1 3 . 1 1 47 47 LEU H H 47 7.196 7.196 7.700 -0.504 19298 1131 1 3 . 1 1 48 48 TYR N N 48 119.670 119.670 120.510 -0.840 19298 1132 1 3 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.071 0.138 19298 1133 1 3 . 1 1 48 48 TYR C C 48 176.380 176.380 177.569 -1.189 19298 1134 1 3 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.101 -1.471 19298 1135 1 3 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.540 -1.910 19298 1136 1 3 . 1 1 48 48 TYR H H 48 6.816 6.816 7.516 -0.700 19298 1137 1 3 . 1 1 49 49 LEU N N 49 118.190 118.190 118.430 -0.240 19298 1138 1 3 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.906 -0.704 19298 1139 1 3 . 1 1 49 49 LEU C C 49 179.030 179.030 178.629 0.401 19298 1140 1 3 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.639 0.101 19298 1141 1 3 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.980 1.250 19298 1142 1 3 . 1 1 49 49 LEU H H 49 8.129 8.129 8.280 -0.151 19298 1143 1 3 . 1 1 50 50 LEU N N 50 117.130 117.130 119.140 -2.010 19298 1144 1 3 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.096 -0.386 19298 1145 1 3 . 1 1 50 50 LEU C C 50 176.420 176.420 177.559 -1.139 19298 1146 1 3 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.417 -0.127 19298 1147 1 3 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.578 0.062 19298 1148 1 3 . 1 1 50 50 LEU H H 50 7.543 7.543 7.692 -0.149 19298 1149 1 3 . 1 1 51 51 PHE N N 51 110.420 110.420 114.759 -4.339 19298 1150 1 3 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.531 0.129 19298 1151 1 3 . 1 1 51 51 PHE C C 51 175.110 175.110 176.696 -1.586 19298 1152 1 3 . 1 1 51 51 PHE CA C 51 59.640 59.640 59.520 0.120 19298 1153 1 3 . 1 1 51 51 PHE CB C 51 40.250 40.250 39.004 1.246 19298 1154 1 3 . 1 1 51 51 PHE H H 51 7.439 7.439 7.939 -0.500 19298 1155 1 3 . 1 1 52 52 ARG N N 52 120.680 120.680 120.822 -0.142 19298 1156 1 3 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.111 -0.368 19298 1157 1 3 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.357 -0.437 19298 1158 1 3 . 1 1 52 52 ARG H H 52 7.865 7.865 7.746 0.119 19298 1159 1 3 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.173 0.029 19298 1160 1 3 . 1 1 53 53 PRO C C 53 176.600 176.600 177.177 -0.577 19298 1161 1 3 . 1 1 53 53 PRO CA C 53 64.540 64.540 64.433 0.106 19298 1162 1 3 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.481 -0.521 19298 1163 1 3 . 1 1 54 54 PHE N N 54 117.470 117.470 118.619 -1.149 19298 1164 1 3 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.630 -0.374 19298 1165 1 3 . 1 1 54 54 PHE C C 54 175.500 175.500 174.966 0.534 19298 1166 1 3 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.868 2.332 19298 1167 1 3 . 1 1 54 54 PHE CB C 54 38.680 38.680 37.851 0.829 19298 1168 1 3 . 1 1 54 54 PHE H H 54 7.943 7.943 8.043 -0.100 19298 1169 1 3 . 1 1 55 55 LYS N N 55 126.460 126.460 124.602 1.858 19298 1170 1 3 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.299 -0.146 19298 1171 1 3 . 1 1 55 55 LYS C C 55 177.900 177.900 176.901 0.999 19298 1172 1 3 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.763 0.277 19298 1173 1 3 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.628 0.902 19298 1174 1 3 . 1 1 55 55 LYS H H 55 8.571 8.571 7.902 0.669 19298 1175 1 3 . 1 1 56 56 GLY N N 56 112.780 112.780 110.661 2.119 19298 1176 1 3 . 1 1 56 56 GLY C C 56 174.830 174.830 174.073 0.757 19298 1177 1 3 . 1 1 56 56 GLY CA C 56 45.150 45.150 45.037 0.113 19298 1178 1 3 . 1 1 56 56 GLY H H 56 9.045 9.045 8.377 0.668 19298 1179 1 3 . 1 1 57 57 TYR N N 57 121.700 121.700 123.980 -2.280 19298 1180 1 3 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.497 -0.421 19298 1181 1 3 . 1 1 57 57 TYR C C 57 175.260 175.260 174.966 0.294 19298 1182 1 3 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.580 0.070 19298 1183 1 3 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.995 0.195 19298 1184 1 3 . 1 1 57 57 TYR H H 57 7.560 7.560 8.035 -0.475 19298 1185 1 3 . 1 1 58 58 GLU N N 58 128.500 128.500 128.155 0.345 19298 1186 1 3 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.231 0.037 19298 1187 1 3 . 1 1 58 58 GLU C C 58 175.700 175.700 175.765 -0.065 19298 1188 1 3 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.079 -0.739 19298 1189 1 3 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.169 0.561 19298 1190 1 3 . 1 1 58 58 GLU H H 58 8.356 8.356 8.471 -0.115 19298 1191 1 3 . 1 1 59 59 GLY N N 59 104.920 104.920 106.116 -1.196 19298 1192 1 3 . 1 1 59 59 GLY C C 59 170.310 170.310 172.077 -1.767 19298 1193 1 3 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.684 0.847 19298 1194 1 3 . 1 1 59 59 GLY H H 59 6.411 6.411 7.384 -0.973 19298 1195 1 3 . 1 1 60 60 SER N N 60 110.020 110.020 115.277 -5.257 19298 1196 1 3 . 1 1 60 60 SER HA H 60 5.468 5.468 5.294 0.174 19298 1197 1 3 . 1 1 60 60 SER C C 60 172.470 172.470 173.616 -1.146 19298 1198 1 3 . 1 1 60 60 SER CA C 60 57.170 57.170 56.788 0.382 19298 1199 1 3 . 1 1 60 60 SER CB C 60 66.610 66.610 66.319 0.292 19298 1200 1 3 . 1 1 60 60 SER H H 60 8.280 8.280 8.387 -0.107 19298 1201 1 3 . 1 1 61 61 LEU N N 61 118.490 118.490 124.941 -6.451 19298 1202 1 3 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.757 -0.014 19298 1203 1 3 . 1 1 61 61 LEU C C 61 174.600 174.600 175.323 -0.723 19298 1204 1 3 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.815 0.865 19298 1205 1 3 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.422 0.958 19298 1206 1 3 . 1 1 61 61 LEU H H 61 8.953 8.953 9.065 -0.112 19298 1207 1 3 . 1 1 62 62 ILE N N 62 120.760 120.760 123.769 -3.009 19298 1208 1 3 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.752 0.165 19298 1209 1 3 . 1 1 62 62 ILE C C 62 175.600 175.600 176.061 -0.461 19298 1210 1 3 . 1 1 62 62 ILE CA C 62 59.490 59.490 58.837 0.652 19298 1211 1 3 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.236 1.684 19298 1212 1 3 . 1 1 62 62 ILE H H 62 8.639 8.639 8.632 0.007 19298 1213 1 3 . 1 1 63 63 LYS N N 63 127.240 127.240 128.872 -1.632 19298 1214 1 3 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.696 0.006 19298 1215 1 3 . 1 1 63 63 LYS C C 63 174.700 174.700 174.651 0.049 19298 1216 1 3 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.354 0.196 19298 1217 1 3 . 1 1 63 63 LYS CB C 63 35.490 35.490 33.786 1.704 19298 1218 1 3 . 1 1 63 63 LYS H H 63 9.145 9.145 9.128 0.017 19298 1219 1 3 . 1 1 64 64 LEU N N 64 124.700 124.700 127.515 -2.815 19298 1220 1 3 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.402 0.300 19298 1221 1 3 . 1 1 64 64 LEU C C 64 177.470 177.470 176.201 1.269 19298 1222 1 3 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.525 -0.935 19298 1223 1 3 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.929 0.491 19298 1224 1 3 . 1 1 64 64 LEU H H 64 8.648 8.648 8.791 -0.143 19298 1225 1 3 . 1 1 65 65 THR N N 65 116.860 116.860 123.044 -6.184 19298 1226 1 3 . 1 1 65 65 THR HA H 65 4.521 4.521 4.533 -0.012 19298 1227 1 3 . 1 1 65 65 THR C C 65 174.160 174.160 174.206 -0.046 19298 1228 1 3 . 1 1 65 65 THR CA C 65 60.990 60.990 60.984 0.006 19298 1229 1 3 . 1 1 65 65 THR CB C 65 70.630 70.630 70.580 0.050 19298 1230 1 3 . 1 1 65 65 THR H H 65 8.330 8.330 7.452 0.878 19298 1231 1 3 . 1 1 66 66 ALA N N 66 127.310 127.310 127.501 -0.191 19298 1232 1 3 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.115 0.055 19298 1233 1 3 . 1 1 66 66 ALA C C 66 177.060 177.060 178.339 -1.279 19298 1234 1 3 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.574 -0.984 19298 1235 1 3 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.697 -0.637 19298 1236 1 3 . 1 1 66 66 ALA H H 66 8.834 8.834 8.618 0.216 19298 1237 1 3 . 1 1 67 67 ARG N N 67 113.660 113.660 115.843 -2.183 19298 1238 1 3 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.340 -0.276 19298 1239 1 3 . 1 1 67 67 ARG C C 67 175.400 175.400 175.200 0.200 19298 1240 1 3 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.376 0.934 19298 1241 1 3 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.274 -1.504 19298 1242 1 3 . 1 1 67 67 ARG H H 67 8.335 8.335 8.274 0.061 19298 1243 1 3 . 1 1 68 68 GLN N N 68 118.790 118.790 115.154 3.636 19298 1244 1 3 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.499 0.316 19298 1245 1 3 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.934 0.346 19298 1246 1 3 . 1 1 68 68 GLN H H 68 7.832 7.832 7.248 0.584 19298 1247 1 3 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.915 -0.069 19298 1248 1 3 . 1 1 69 69 PRO C C 69 175.480 175.480 176.831 -1.351 19298 1249 1 3 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.334 0.567 19298 1250 1 3 . 1 1 69 69 PRO CB C 69 32.450 32.450 32.304 0.146 19298 1251 1 3 . 1 1 70 70 VAL N N 70 117.700 117.700 119.063 -1.363 19298 1252 1 3 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.492 0.050 19298 1253 1 3 . 1 1 70 70 VAL C C 70 174.470 174.470 174.949 -0.479 19298 1254 1 3 . 1 1 70 70 VAL CA C 70 60.040 60.040 59.943 0.097 19298 1255 1 3 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.566 1.354 19298 1256 1 3 . 1 1 70 70 VAL H H 70 8.722 8.722 8.741 -0.019 19298 1257 1 3 . 1 1 71 71 GLY N N 71 107.930 107.930 110.205 -2.275 19298 1258 1 3 . 1 1 71 71 GLY C C 71 171.000 171.000 172.705 -1.705 19298 1259 1 3 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.669 0.322 19298 1260 1 3 . 1 1 71 71 GLY H H 71 8.716 8.716 8.604 0.112 19298 1261 1 3 . 1 1 72 72 PHE N N 72 119.400 119.400 125.970 -6.570 19298 1262 1 3 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.304 0.331 19298 1263 1 3 . 1 1 72 72 PHE C C 72 175.350 175.350 175.738 -0.388 19298 1264 1 3 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.588 -0.758 19298 1265 1 3 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.510 2.600 19298 1266 1 3 . 1 1 72 72 PHE H H 72 8.934 8.934 9.322 -0.388 19298 1267 1 3 . 1 1 73 73 VAL N N 73 122.000 122.000 125.308 -3.308 19298 1268 1 3 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.386 0.177 19298 1269 1 3 . 1 1 73 73 VAL C C 73 172.930 172.930 175.205 -2.275 19298 1270 1 3 . 1 1 73 73 VAL CA C 73 60.760 60.760 62.030 -1.270 19298 1271 1 3 . 1 1 73 73 VAL CB C 73 34.570 34.570 33.007 1.563 19298 1272 1 3 . 1 1 73 73 VAL H H 73 8.934 8.934 9.160 -0.226 19298 1273 1 3 . 1 1 74 74 ILE N N 74 128.000 128.000 128.131 -0.131 19298 1274 1 3 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.505 0.362 19298 1275 1 3 . 1 1 74 74 ILE C C 74 173.700 173.700 174.990 -1.290 19298 1276 1 3 . 1 1 74 74 ILE CA C 74 60.880 60.880 60.204 0.676 19298 1277 1 3 . 1 1 74 74 ILE CB C 74 33.400 33.400 37.660 -4.260 19298 1278 1 3 . 1 1 74 74 ILE H H 74 8.702 8.702 8.935 -0.233 19298 1279 1 3 . 1 1 75 75 PHE N N 75 125.200 125.200 126.577 -1.377 19298 1280 1 3 . 1 1 75 75 PHE HA H 75 5.147 5.147 4.891 0.256 19298 1281 1 3 . 1 1 75 75 PHE C C 75 175.880 175.880 177.012 -1.132 19298 1282 1 3 . 1 1 75 75 PHE CA C 75 56.220 56.220 58.388 -2.168 19298 1283 1 3 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.473 3.207 19298 1284 1 3 . 1 1 75 75 PHE H H 75 8.200 8.200 9.088 -0.888 19298 1285 1 3 . 1 1 76 76 ASP N N 76 119.150 119.150 120.304 -1.154 19298 1286 1 3 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.566 -0.289 19298 1287 1 3 . 1 1 76 76 ASP C C 76 176.020 176.020 175.804 0.216 19298 1288 1 3 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.815 -1.234 19298 1289 1 3 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.949 -1.429 19298 1290 1 3 . 1 1 76 76 ASP H H 76 9.400 9.400 8.954 0.446 19298 1291 1 3 . 1 1 77 77 SER N N 77 111.280 111.280 108.805 2.475 19298 1292 1 3 . 1 1 77 77 SER HA H 77 4.683 4.683 4.652 0.031 19298 1293 1 3 . 1 1 77 77 SER C C 77 173.670 173.670 174.637 -0.967 19298 1294 1 3 . 1 1 77 77 SER CA C 77 56.620 56.620 57.231 -0.611 19298 1295 1 3 . 1 1 77 77 SER CB C 77 66.470 66.470 65.742 0.728 19298 1296 1 3 . 1 1 77 77 SER H H 77 7.804 7.804 7.811 -0.007 19298 1297 1 3 . 1 1 78 78 ARG N N 78 125.240 125.240 122.113 3.127 19298 1298 1 3 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.312 -0.282 19298 1299 1 3 . 1 1 78 78 ARG C C 78 177.710 177.710 178.274 -0.564 19298 1300 1 3 . 1 1 78 78 ARG CA C 78 59.870 59.870 59.264 0.606 19298 1301 1 3 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.286 0.514 19298 1302 1 3 . 1 1 78 78 ARG H H 78 9.348 9.348 8.890 0.458 19298 1303 1 3 . 1 1 79 79 ALA N N 79 120.700 120.700 121.901 -1.201 19298 1304 1 3 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.293 -0.093 19298 1305 1 3 . 1 1 79 79 ALA C C 79 181.360 181.360 179.618 1.742 19298 1306 1 3 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.224 1.056 19298 1307 1 3 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.322 -0.172 19298 1308 1 3 . 1 1 79 79 ALA H H 79 8.660 8.660 8.446 0.214 19298 1309 1 3 . 1 1 80 80 GLY N N 80 107.500 107.500 106.213 1.287 19298 1310 1 3 . 1 1 80 80 GLY C C 80 175.710 175.710 175.449 0.261 19298 1311 1 3 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.963 0.827 19298 1312 1 3 . 1 1 80 80 GLY H H 80 8.161 8.161 7.557 0.604 19298 1313 1 3 . 1 1 81 81 ALA N N 81 124.650 124.650 125.265 -0.615 19298 1314 1 3 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.244 -0.668 19298 1315 1 3 . 1 1 81 81 ALA C C 81 178.570 178.570 179.023 -0.453 19298 1316 1 3 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.909 -0.689 19298 1317 1 3 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.728 -0.548 19298 1318 1 3 . 1 1 81 81 ALA H H 81 7.298 7.298 8.206 -0.908 19298 1319 1 3 . 1 1 82 82 GLU N N 82 118.890 118.890 118.480 0.410 19298 1320 1 3 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.778 -0.047 19298 1321 1 3 . 1 1 82 82 GLU C C 82 177.800 177.800 178.322 -0.522 19298 1322 1 3 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.283 0.277 19298 1323 1 3 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.039 0.821 19298 1324 1 3 . 1 1 82 82 GLU H H 82 8.930 8.930 8.762 0.168 19298 1325 1 3 . 1 1 83 83 ALA N N 83 119.410 119.410 121.512 -2.102 19298 1326 1 3 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.159 -0.042 19298 1327 1 3 . 1 1 83 83 ALA C C 83 180.810 180.810 179.492 1.318 19298 1328 1 3 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.523 0.367 19298 1329 1 3 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.127 0.023 19298 1330 1 3 . 1 1 83 83 ALA H H 83 7.572 7.572 7.460 0.112 19298 1331 1 3 . 1 1 84 84 ALA N N 84 120.280 120.280 121.005 -0.725 19298 1332 1 3 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.176 -1.036 19298 1333 1 3 . 1 1 84 84 ALA C C 84 178.010 178.010 179.271 -1.261 19298 1334 1 3 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.084 -0.354 19298 1335 1 3 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.190 0.520 19298 1336 1 3 . 1 1 84 84 ALA H H 84 6.950 6.950 7.804 -0.854 19298 1337 1 3 . 1 1 85 85 LYS N N 85 118.040 118.040 117.145 0.895 19298 1338 1 3 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.855 -0.267 19298 1339 1 3 . 1 1 85 85 LYS C C 85 177.700 177.700 178.737 -1.037 19298 1340 1 3 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.200 0.360 19298 1341 1 3 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.773 0.317 19298 1342 1 3 . 1 1 85 85 LYS H H 85 8.042 8.042 8.263 -0.221 19298 1343 1 3 . 1 1 86 86 ASN N N 86 114.630 114.630 117.551 -2.921 19298 1344 1 3 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.660 -0.187 19298 1345 1 3 . 1 1 86 86 ASN C C 86 177.320 177.320 176.110 1.210 19298 1346 1 3 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.157 -0.087 19298 1347 1 3 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.223 -0.233 19298 1348 1 3 . 1 1 86 86 ASN H H 86 8.087 8.087 7.773 0.314 19298 1349 1 3 . 1 1 87 87 ALA N N 87 120.200 120.200 121.518 -1.318 19298 1350 1 3 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.234 0.073 19298 1351 1 3 . 1 1 87 87 ALA C C 87 179.630 179.630 178.494 1.136 19298 1352 1 3 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.210 0.090 19298 1353 1 3 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.682 0.498 19298 1354 1 3 . 1 1 87 87 ALA H H 87 7.557 7.557 7.296 0.261 19298 1355 1 3 . 1 1 88 88 LEU N N 88 114.210 114.210 116.899 -2.689 19298 1356 1 3 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.401 0.012 19298 1357 1 3 . 1 1 88 88 LEU C C 88 176.580 176.580 176.326 0.254 19298 1358 1 3 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.448 -0.038 19298 1359 1 3 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.285 2.045 19298 1360 1 3 . 1 1 88 88 LEU H H 88 7.561 7.561 8.128 -0.567 19298 1361 1 3 . 1 1 89 89 ASN N N 89 117.970 117.970 117.988 -0.018 19298 1362 1 3 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.420 -0.164 19298 1363 1 3 . 1 1 89 89 ASN C C 89 177.700 177.700 176.470 1.230 19298 1364 1 3 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.678 2.312 19298 1365 1 3 . 1 1 89 89 ASN CB C 89 38.570 38.570 37.499 1.071 19298 1366 1 3 . 1 1 89 89 ASN H H 89 7.550 7.550 7.624 -0.074 19298 1367 1 3 . 1 1 90 90 GLY N N 90 112.220 112.220 112.125 0.095 19298 1368 1 3 . 1 1 90 90 GLY C C 90 174.360 174.360 173.678 0.682 19298 1369 1 3 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.825 0.935 19298 1370 1 3 . 1 1 90 90 GLY H H 90 8.734 8.734 8.961 -0.227 19298 1371 1 3 . 1 1 91 91 ILE N N 91 115.840 115.840 121.478 -5.638 19298 1372 1 3 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.214 0.262 19298 1373 1 3 . 1 1 91 91 ILE C C 91 175.940 175.940 174.606 1.334 19298 1374 1 3 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.869 0.651 19298 1375 1 3 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.453 -0.433 19298 1376 1 3 . 1 1 91 91 ILE H H 91 7.518 7.518 7.481 0.037 19298 1377 1 3 . 1 1 92 92 ARG N N 92 120.160 120.160 129.193 -9.033 19298 1378 1 3 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.414 0.063 19298 1379 1 3 . 1 1 92 92 ARG C C 92 175.840 175.840 176.351 -0.511 19298 1380 1 3 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.395 0.265 19298 1381 1 3 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.248 0.301 19298 1382 1 3 . 1 1 92 92 ARG H H 92 8.461 8.461 8.794 -0.333 19298 1383 1 3 . 1 1 93 93 PHE N N 93 126.780 126.780 124.991 1.789 19298 1384 1 3 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.217 -0.160 19298 1385 1 3 . 1 1 93 93 PHE C C 93 171.620 171.620 175.301 -3.681 19298 1386 1 3 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.059 0.951 19298 1387 1 3 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.790 0.690 19298 1388 1 3 . 1 1 93 93 PHE H H 93 8.443 8.443 8.837 -0.394 19298 1389 1 3 . 1 1 94 94 ASP N N 94 110.650 110.650 114.765 -4.115 19298 1390 1 3 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.931 -0.062 19298 1391 1 3 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.692 -3.162 19298 1392 1 3 . 1 1 94 94 ASP H H 94 7.860 7.860 7.925 -0.065 19298 1393 1 3 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.348 -0.501 19298 1394 1 3 . 1 1 95 95 PRO C C 95 177.650 177.650 176.768 0.882 19298 1395 1 3 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.297 -1.007 19298 1396 1 3 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.048 0.042 19298 1397 1 3 . 1 1 96 96 GLU N N 96 115.270 115.270 116.170 -0.900 19298 1398 1 3 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.251 -0.026 19298 1399 1 3 . 1 1 96 96 GLU C C 96 175.310 175.310 176.481 -1.171 19298 1400 1 3 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.873 -0.703 19298 1401 1 3 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.526 0.474 19298 1402 1 3 . 1 1 96 96 GLU H H 96 7.944 7.944 8.439 -0.495 19298 1403 1 3 . 1 1 97 97 ASN N N 97 121.610 121.610 117.720 3.890 19298 1404 1 3 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.096 0.106 19298 1405 1 3 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.941 -0.081 19298 1406 1 3 . 1 1 97 97 ASN H H 97 8.190 8.190 7.817 0.373 19298 1407 1 3 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.302 -0.133 19298 1408 1 3 . 1 1 98 98 PRO C C 98 176.940 176.940 177.034 -0.094 19298 1409 1 3 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.855 -0.565 19298 1410 1 3 . 1 1 98 98 PRO CB C 98 32.210 32.210 32.084 0.126 19298 1411 1 3 . 1 1 99 99 GLN N N 99 120.230 120.230 121.624 -1.394 19298 1412 1 3 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.156 0.027 19298 1413 1 3 . 1 1 99 99 GLN C C 99 176.660 176.660 174.905 1.755 19298 1414 1 3 . 1 1 99 99 GLN CA C 99 57.080 57.080 56.573 0.507 19298 1415 1 3 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.050 -0.060 19298 1416 1 3 . 1 1 99 99 GLN H H 99 8.174 8.174 7.878 0.296 19298 1417 1 3 . 1 1 100 100 THR N N 100 117.080 117.080 115.972 1.108 19298 1418 1 3 . 1 1 100 100 THR HA H 100 4.784 4.784 4.464 0.320 19298 1419 1 3 . 1 1 100 100 THR C C 100 174.540 174.540 173.258 1.282 19298 1420 1 3 . 1 1 100 100 THR CA C 100 59.870 59.870 59.925 -0.055 19298 1421 1 3 . 1 1 100 100 THR CB C 100 71.920 71.920 70.789 1.131 19298 1422 1 3 . 1 1 100 100 THR H H 100 8.241 8.241 8.033 0.208 19298 1423 1 3 . 1 1 101 101 LEU N N 101 120.720 120.720 125.603 -4.883 19298 1424 1 3 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.281 -0.642 19298 1425 1 3 . 1 1 101 101 LEU C C 101 177.930 177.930 174.932 2.998 19298 1426 1 3 . 1 1 101 101 LEU CA C 101 54.660 54.660 53.835 0.825 19298 1427 1 3 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.938 -0.458 19298 1428 1 3 . 1 1 101 101 LEU H H 101 8.809 8.809 9.191 -0.382 19298 1429 1 3 . 1 1 102 102 ARG N N 102 124.040 124.040 124.563 -0.523 19298 1430 1 3 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.728 0.243 19298 1431 1 3 . 1 1 102 102 ARG C C 102 174.500 174.500 173.557 0.943 19298 1432 1 3 . 1 1 102 102 ARG CA C 102 54.710 54.710 53.945 0.765 19298 1433 1 3 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.847 -0.847 19298 1434 1 3 . 1 1 102 102 ARG H H 102 8.327 8.327 9.268 -0.941 19298 1435 1 3 . 1 1 103 103 LEU N N 103 125.780 125.780 125.819 -0.039 19298 1436 1 3 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.766 0.604 19298 1437 1 3 . 1 1 103 103 LEU C C 103 174.660 174.660 175.445 -0.785 19298 1438 1 3 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.098 0.562 19298 1439 1 3 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.482 2.298 19298 1440 1 3 . 1 1 103 103 LEU H H 103 8.825 8.825 8.603 0.222 19298 1441 1 3 . 1 1 104 104 GLU N N 104 119.100 119.100 121.923 -2.823 19298 1442 1 3 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.250 0.259 19298 1443 1 3 . 1 1 104 104 GLU C C 104 175.110 175.110 175.112 -0.002 19298 1444 1 3 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.166 0.274 19298 1445 1 3 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.478 0.542 19298 1446 1 3 . 1 1 104 104 GLU H H 104 8.348 8.348 7.864 0.484 19298 1447 1 3 . 1 1 105 105 PHE N N 105 121.070 121.070 120.722 0.348 19298 1448 1 3 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.579 0.032 19298 1449 1 3 . 1 1 105 105 PHE C C 105 177.060 177.060 176.549 0.511 19298 1450 1 3 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.028 2.162 19298 1451 1 3 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.718 -0.538 19298 1452 1 3 . 1 1 105 105 PHE H H 105 9.227 9.227 8.488 0.739 19298 1453 1 3 . 1 1 106 106 ALA N N 106 124.890 124.890 127.490 -2.600 19298 1454 1 3 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.922 -0.497 19298 1455 1 3 . 1 1 106 106 ALA C C 106 175.860 175.860 177.119 -1.259 19298 1456 1 3 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.028 -0.748 19298 1457 1 3 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.526 -0.775 19298 1458 1 3 . 1 1 106 106 ALA H H 106 9.567 9.567 8.590 0.977 19298 1459 1 3 . 1 1 107 107 LYS N N 107 117.510 117.510 118.645 -1.135 19298 1460 1 3 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.316 -0.144 19298 1461 1 3 . 1 1 107 107 LYS C C 107 176.060 176.060 175.736 0.324 19298 1462 1 3 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.541 -0.391 19298 1463 1 3 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.555 -0.055 19298 1464 1 3 . 1 1 107 107 LYS H H 107 8.581 8.581 8.537 0.044 19298 1465 1 3 . 1 1 108 108 ALA N N 108 118.700 118.700 122.565 -3.865 19298 1466 1 3 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.451 -0.077 19298 1467 1 3 . 1 1 108 108 ALA C C 108 176.650 176.650 175.757 0.893 19298 1468 1 3 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.675 -0.805 19298 1469 1 3 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.918 0.603 19298 1470 1 3 . 1 1 108 108 ALA H H 108 7.731 7.731 7.501 0.230 19298 1471 1 3 . 1 1 109 109 ASN N N 109 116.530 116.530 121.098 -4.568 19298 1472 1 3 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.629 0.344 19298 1473 1 3 . 1 1 109 109 ASN C C 109 175.940 175.940 175.229 0.711 19298 1474 1 3 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.161 -0.031 19298 1475 1 3 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.802 -0.132 19298 1476 1 3 . 1 1 109 109 ASN H H 109 8.936 8.936 8.344 0.592 19298 1477 1 3 . 1 1 110 110 THR N N 110 116.260 116.260 118.067 -1.807 19298 1478 1 3 . 1 1 110 110 THR HA H 110 4.153 4.153 4.317 -0.164 19298 1479 1 3 . 1 1 110 110 THR C C 110 173.240 173.240 174.194 -0.954 19298 1480 1 3 . 1 1 110 110 THR CA C 110 61.990 61.990 60.394 1.596 19298 1481 1 3 . 1 1 110 110 THR CB C 110 69.830 69.830 70.020 -0.190 19298 1482 1 3 . 1 1 110 110 THR H H 110 7.437 7.437 8.146 -0.709 19298 1483 1 3 . 1 1 111 111 LYS N N 111 124.500 124.500 127.871 -3.371 19298 1484 1 3 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.282 -0.035 19298 1485 1 3 . 1 1 111 111 LYS C C 111 176.140 176.140 176.494 -0.354 19298 1486 1 3 . 1 1 111 111 LYS CA C 111 55.930 55.930 56.161 -0.231 19298 1487 1 3 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.630 0.070 19298 1488 1 3 . 1 1 111 111 LYS H H 111 8.248 8.248 8.518 -0.270 19298 1489 1 3 . 1 1 112 112 MET N N 112 122.000 122.000 121.533 0.467 19298 1490 1 3 . 1 1 112 112 MET HA H 112 4.408 4.408 4.282 0.126 19298 1491 1 3 . 1 1 112 112 MET C C 112 175.550 175.550 176.239 -0.689 19298 1492 1 3 . 1 1 112 112 MET CA C 112 54.780 54.780 56.388 -1.608 19298 1493 1 3 . 1 1 112 112 MET CB C 112 33.280 33.280 32.179 1.101 19298 1494 1 3 . 1 1 112 112 MET H H 112 8.290 8.290 8.569 -0.279 19298 1495 1 3 . 1 1 113 113 ALA N N 113 125.150 125.150 122.829 2.321 19298 1496 1 3 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.301 -0.045 19298 1497 1 3 . 1 1 113 113 ALA C C 113 177.580 177.580 176.697 0.883 19298 1498 1 3 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.598 0.872 19298 1499 1 3 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.514 1.626 19298 1500 1 3 . 1 1 113 113 ALA H H 113 8.213 8.213 7.930 0.283 19298 1501 1 3 . 1 1 114 114 LYS N N 114 120.740 120.740 124.575 -3.835 19298 1502 1 3 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.329 -0.073 19298 1503 1 3 . 1 1 114 114 LYS C C 114 176.790 176.790 176.054 0.736 19298 1504 1 3 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.139 0.202 19298 1505 1 3 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.603 0.267 19298 1506 1 3 . 1 1 114 114 LYS H H 114 8.261 8.261 7.869 0.392 19298 1507 1 3 . 1 1 115 115 SER N N 115 116.780 116.780 119.586 -2.806 19298 1508 1 3 . 1 1 115 115 SER HA H 115 4.393 4.393 4.538 -0.145 19298 1509 1 3 . 1 1 115 115 SER C C 115 174.710 174.710 174.068 0.642 19298 1510 1 3 . 1 1 115 115 SER CA C 115 58.410 58.410 58.457 -0.047 19298 1511 1 3 . 1 1 115 115 SER CB C 115 63.870 63.870 64.040 -0.170 19298 1512 1 3 . 1 1 115 115 SER H H 115 8.268 8.268 8.500 -0.232 19298 1513 1 3 . 1 1 116 116 LYS N N 116 123.210 123.210 125.575 -2.365 19298 1514 1 3 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.480 -0.189 19298 1515 1 3 . 1 1 116 116 LYS C C 116 176.400 176.400 175.710 0.690 19298 1516 1 3 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.264 0.067 19298 1517 1 3 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.492 -0.782 19298 1518 1 3 . 1 1 116 116 LYS H H 116 8.346 8.346 8.377 -0.031 19298 1519 1 3 . 1 1 117 117 LEU N N 117 122.470 122.470 125.586 -3.116 19298 1520 1 3 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.718 -0.442 19298 1521 1 3 . 1 1 117 117 LEU C C 117 177.080 177.080 176.115 0.965 19298 1522 1 3 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.611 -1.561 19298 1523 1 3 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.467 -0.257 19298 1524 1 3 . 1 1 117 117 LEU H H 117 8.093 8.093 8.665 -0.572 19298 1525 1 4 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.594 -0.228 19298 1526 1 4 . 1 1 27 27 GLU C C 27 176.230 176.230 175.479 0.751 19298 1527 1 4 . 1 1 27 27 GLU CA C 27 56.240 56.240 55.701 0.539 19298 1528 1 4 . 1 1 27 27 GLU CB C 27 30.720 30.720 31.491 -0.771 19298 1529 1 4 . 1 1 28 28 GLU N N 28 122.500 122.500 120.952 1.548 19298 1530 1 4 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.261 0.001 19298 1531 1 4 . 1 1 28 28 GLU C C 28 175.860 175.860 175.976 -0.116 19298 1532 1 4 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.845 -0.485 19298 1533 1 4 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.200 1.310 19298 1534 1 4 . 1 1 28 28 GLU H H 28 8.521 8.521 8.700 -0.179 19298 1535 1 4 . 1 1 29 29 GLU N N 29 123.290 123.290 123.337 -0.047 19298 1536 1 4 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.462 -0.231 19298 1537 1 4 . 1 1 29 29 GLU C C 29 176.740 176.740 174.868 1.872 19298 1538 1 4 . 1 1 29 29 GLU CA C 29 56.360 56.360 54.588 1.772 19298 1539 1 4 . 1 1 29 29 GLU CB C 29 30.840 30.840 33.304 -2.464 19298 1540 1 4 . 1 1 29 29 GLU H H 29 8.521 8.521 8.326 0.195 19298 1541 1 4 . 1 1 30 30 VAL N N 30 125.640 125.640 120.962 4.678 19298 1542 1 4 . 1 1 30 30 VAL HA H 30 3.807 3.807 3.974 -0.167 19298 1543 1 4 . 1 1 30 30 VAL C C 30 175.110 175.110 175.256 -0.146 19298 1544 1 4 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.157 1.923 19298 1545 1 4 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.867 -0.537 19298 1546 1 4 . 1 1 30 30 VAL H H 30 8.715 8.715 8.391 0.324 19298 1547 1 4 . 1 1 31 31 ARG N N 31 124.730 124.730 127.039 -2.309 19298 1548 1 4 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.475 0.199 19298 1549 1 4 . 1 1 31 31 ARG C C 31 172.600 172.600 176.895 -4.295 19298 1550 1 4 . 1 1 31 31 ARG CA C 31 54.580 54.580 57.472 -2.893 19298 1551 1 4 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.409 -1.659 19298 1552 1 4 . 1 1 31 31 ARG H H 31 9.378 9.378 9.242 0.136 19298 1553 1 4 . 1 1 32 32 THR N N 32 115.380 115.380 117.665 -2.285 19298 1554 1 4 . 1 1 32 32 THR HA H 32 5.471 5.471 5.480 -0.009 19298 1555 1 4 . 1 1 32 32 THR C C 32 173.810 173.810 173.757 0.053 19298 1556 1 4 . 1 1 32 32 THR CA C 32 61.250 61.250 62.645 -1.395 19298 1557 1 4 . 1 1 32 32 THR CB C 32 71.360 71.360 69.825 1.535 19298 1558 1 4 . 1 1 32 32 THR H H 32 7.144 7.144 8.019 -0.875 19298 1559 1 4 . 1 1 33 33 LEU N N 33 124.600 124.600 124.352 0.248 19298 1560 1 4 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.330 -0.403 19298 1561 1 4 . 1 1 33 33 LEU C C 33 174.960 174.960 174.673 0.287 19298 1562 1 4 . 1 1 33 33 LEU CA C 33 52.890 52.890 52.996 -0.106 19298 1563 1 4 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.653 0.257 19298 1564 1 4 . 1 1 33 33 LEU H H 33 9.701 9.701 9.188 0.513 19298 1565 1 4 . 1 1 34 34 PHE N N 34 122.600 122.600 120.039 2.561 19298 1566 1 4 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.052 0.037 19298 1567 1 4 . 1 1 34 34 PHE C C 34 174.530 174.530 174.091 0.439 19298 1568 1 4 . 1 1 34 34 PHE CA C 34 55.740 55.740 54.776 0.964 19298 1569 1 4 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.446 1.964 19298 1570 1 4 . 1 1 34 34 PHE H H 34 9.411 9.411 9.208 0.203 19298 1571 1 4 . 1 1 35 35 VAL N N 35 127.050 127.050 127.697 -0.647 19298 1572 1 4 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.261 0.465 19298 1573 1 4 . 1 1 35 35 VAL C C 35 173.520 173.520 175.468 -1.948 19298 1574 1 4 . 1 1 35 35 VAL CA C 35 60.650 60.650 62.092 -1.442 19298 1575 1 4 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.298 2.872 19298 1576 1 4 . 1 1 35 35 VAL H H 35 8.878 8.878 8.665 0.213 19298 1577 1 4 . 1 1 36 36 SER N N 36 120.260 120.260 122.492 -2.232 19298 1578 1 4 . 1 1 36 36 SER HA H 36 4.876 4.876 4.667 0.209 19298 1579 1 4 . 1 1 36 36 SER C C 36 173.170 173.170 174.755 -1.585 19298 1580 1 4 . 1 1 36 36 SER CA C 36 56.700 56.700 56.677 0.023 19298 1581 1 4 . 1 1 36 36 SER CB C 36 65.440 65.440 65.719 -0.279 19298 1582 1 4 . 1 1 36 36 SER H H 36 8.964 8.964 8.859 0.105 19298 1583 1 4 . 1 1 37 37 GLY N N 37 108.690 108.690 108.341 0.349 19298 1584 1 4 . 1 1 37 37 GLY C C 37 174.150 174.150 173.061 1.089 19298 1585 1 4 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.424 0.106 19298 1586 1 4 . 1 1 37 37 GLY H H 37 8.567 8.567 9.334 -0.767 19298 1587 1 4 . 1 1 38 38 LEU N N 38 118.640 118.640 120.245 -1.605 19298 1588 1 4 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.365 -0.464 19298 1589 1 4 . 1 1 38 38 LEU CA C 38 51.410 51.410 50.826 0.584 19298 1590 1 4 . 1 1 38 38 LEU H H 38 7.426 7.426 7.427 -0.001 19298 1591 1 4 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.529 0.021 19298 1592 1 4 . 1 1 39 39 PRO C C 39 177.540 177.540 177.519 0.021 19298 1593 1 4 . 1 1 39 39 PRO CA C 39 62.130 62.130 61.574 0.556 19298 1594 1 4 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.956 -0.746 19298 1595 1 4 . 1 1 40 40 VAL N N 40 114.990 114.990 118.423 -3.433 19298 1596 1 4 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.832 -0.148 19298 1597 1 4 . 1 1 40 40 VAL C C 40 175.650 175.650 175.621 0.029 19298 1598 1 4 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.672 0.788 19298 1599 1 4 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.794 -0.064 19298 1600 1 4 . 1 1 40 40 VAL H H 40 8.311 8.311 8.571 -0.260 19298 1601 1 4 . 1 1 41 41 ASP N N 41 117.410 117.410 117.117 0.293 19298 1602 1 4 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.641 0.043 19298 1603 1 4 . 1 1 41 41 ASP C C 41 176.140 176.140 175.988 0.152 19298 1604 1 4 . 1 1 41 41 ASP CA C 41 51.800 51.800 53.149 -1.349 19298 1605 1 4 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.728 -1.048 19298 1606 1 4 . 1 1 41 41 ASP H H 41 7.809 7.809 7.966 -0.157 19298 1607 1 4 . 1 1 42 42 ILE N N 42 119.180 119.180 122.135 -2.955 19298 1608 1 4 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.400 -0.316 19298 1609 1 4 . 1 1 42 42 ILE C C 42 173.940 173.940 175.801 -1.861 19298 1610 1 4 . 1 1 42 42 ILE CA C 42 60.770 60.770 60.778 -0.008 19298 1611 1 4 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.605 1.135 19298 1612 1 4 . 1 1 42 42 ILE H H 42 7.098 7.098 7.463 -0.365 19298 1613 1 4 . 1 1 43 43 LYS N N 43 126.520 126.520 132.161 -5.641 19298 1614 1 4 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.960 0.033 19298 1615 1 4 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.784 0.816 19298 1616 1 4 . 1 1 43 43 LYS H H 43 8.963 8.963 9.757 -0.794 19298 1617 1 4 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.384 -0.284 19298 1618 1 4 . 1 1 44 44 PRO C C 44 180.110 180.110 177.491 2.619 19298 1619 1 4 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.129 1.561 19298 1620 1 4 . 1 1 44 44 PRO CB C 44 31.810 31.810 32.098 -0.288 19298 1621 1 4 . 1 1 45 45 ARG N N 45 115.440 115.440 116.605 -1.165 19298 1622 1 4 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.333 -0.090 19298 1623 1 4 . 1 1 45 45 ARG C C 45 176.200 176.200 177.711 -1.511 19298 1624 1 4 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.147 0.403 19298 1625 1 4 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.829 1.591 19298 1626 1 4 . 1 1 45 45 ARG H H 45 8.922 8.922 8.592 0.330 19298 1627 1 4 . 1 1 46 46 GLU N N 46 119.720 119.720 121.529 -1.809 19298 1628 1 4 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.155 -0.117 19298 1629 1 4 . 1 1 46 46 GLU C C 46 178.820 178.820 179.176 -0.356 19298 1630 1 4 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.431 0.778 19298 1631 1 4 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.436 1.444 19298 1632 1 4 . 1 1 46 46 GLU H H 46 8.340 8.340 8.029 0.311 19298 1633 1 4 . 1 1 47 47 LEU N N 47 115.570 115.570 119.304 -3.734 19298 1634 1 4 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.160 0.213 19298 1635 1 4 . 1 1 47 47 LEU C C 47 178.380 178.380 178.731 -0.351 19298 1636 1 4 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.840 -0.320 19298 1637 1 4 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.795 -0.115 19298 1638 1 4 . 1 1 47 47 LEU H H 47 7.196 7.196 7.817 -0.621 19298 1639 1 4 . 1 1 48 48 TYR N N 48 119.670 119.670 120.351 -0.681 19298 1640 1 4 . 1 1 48 48 TYR HA H 48 4.209 4.209 3.941 0.268 19298 1641 1 4 . 1 1 48 48 TYR C C 48 176.380 176.380 177.719 -1.339 19298 1642 1 4 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.938 -1.308 19298 1643 1 4 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.400 -1.770 19298 1644 1 4 . 1 1 48 48 TYR H H 48 6.816 6.816 7.493 -0.677 19298 1645 1 4 . 1 1 49 49 LEU N N 49 118.190 118.190 118.749 -0.559 19298 1646 1 4 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.893 -0.691 19298 1647 1 4 . 1 1 49 49 LEU C C 49 179.030 179.030 179.623 -0.593 19298 1648 1 4 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.669 0.071 19298 1649 1 4 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.622 1.608 19298 1650 1 4 . 1 1 49 49 LEU H H 49 8.129 8.129 8.566 -0.437 19298 1651 1 4 . 1 1 50 50 LEU N N 50 117.130 117.130 120.808 -3.678 19298 1652 1 4 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.019 -0.309 19298 1653 1 4 . 1 1 50 50 LEU C C 50 176.420 176.420 177.868 -1.448 19298 1654 1 4 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.716 -0.426 19298 1655 1 4 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.218 0.422 19298 1656 1 4 . 1 1 50 50 LEU H H 50 7.543 7.543 7.827 -0.284 19298 1657 1 4 . 1 1 51 51 PHE N N 51 110.420 110.420 114.868 -4.448 19298 1658 1 4 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.655 0.005 19298 1659 1 4 . 1 1 51 51 PHE C C 51 175.110 175.110 177.061 -1.951 19298 1660 1 4 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.741 0.899 19298 1661 1 4 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.047 2.203 19298 1662 1 4 . 1 1 51 51 PHE H H 51 7.439 7.439 8.295 -0.856 19298 1663 1 4 . 1 1 52 52 ARG N N 52 120.680 120.680 120.658 0.022 19298 1664 1 4 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.019 -0.276 19298 1665 1 4 . 1 1 52 52 ARG CA C 52 59.920 59.920 58.769 1.151 19298 1666 1 4 . 1 1 52 52 ARG H H 52 7.865 7.865 7.256 0.609 19298 1667 1 4 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.386 -0.184 19298 1668 1 4 . 1 1 53 53 PRO C C 53 176.600 176.600 176.130 0.470 19298 1669 1 4 . 1 1 53 53 PRO CA C 53 64.540 64.540 62.954 1.586 19298 1670 1 4 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.509 -0.549 19298 1671 1 4 . 1 1 54 54 PHE N N 54 117.470 117.470 121.664 -4.194 19298 1672 1 4 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.695 -0.439 19298 1673 1 4 . 1 1 54 54 PHE C C 54 175.500 175.500 175.220 0.280 19298 1674 1 4 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.918 2.282 19298 1675 1 4 . 1 1 54 54 PHE CB C 54 38.680 38.680 40.128 -1.448 19298 1676 1 4 . 1 1 54 54 PHE H H 54 7.943 7.943 7.732 0.211 19298 1677 1 4 . 1 1 55 55 LYS N N 55 126.460 126.460 126.604 -0.144 19298 1678 1 4 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.445 -0.292 19298 1679 1 4 . 1 1 55 55 LYS C C 55 177.900 177.900 176.370 1.530 19298 1680 1 4 . 1 1 55 55 LYS CA C 55 58.040 58.040 56.487 1.553 19298 1681 1 4 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.660 0.870 19298 1682 1 4 . 1 1 55 55 LYS H H 55 8.571 8.571 8.757 -0.186 19298 1683 1 4 . 1 1 56 56 GLY N N 56 112.780 112.780 111.511 1.269 19298 1684 1 4 . 1 1 56 56 GLY C C 56 174.830 174.830 173.436 1.394 19298 1685 1 4 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.689 0.461 19298 1686 1 4 . 1 1 56 56 GLY H H 56 9.045 9.045 8.523 0.522 19298 1687 1 4 . 1 1 57 57 TYR N N 57 121.700 121.700 123.307 -1.607 19298 1688 1 4 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.230 -0.154 19298 1689 1 4 . 1 1 57 57 TYR C C 57 175.260 175.260 175.005 0.255 19298 1690 1 4 . 1 1 57 57 TYR CA C 57 59.650 59.650 58.766 0.884 19298 1691 1 4 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.313 0.877 19298 1692 1 4 . 1 1 57 57 TYR H H 57 7.560 7.560 7.208 0.352 19298 1693 1 4 . 1 1 58 58 GLU N N 58 128.500 128.500 127.342 1.158 19298 1694 1 4 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.199 0.069 19298 1695 1 4 . 1 1 58 58 GLU C C 58 175.700 175.700 176.056 -0.356 19298 1696 1 4 . 1 1 58 58 GLU CA C 58 56.340 56.340 56.850 -0.510 19298 1697 1 4 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.403 0.327 19298 1698 1 4 . 1 1 58 58 GLU H H 58 8.356 8.356 8.547 -0.191 19298 1699 1 4 . 1 1 59 59 GLY N N 59 104.920 104.920 107.083 -2.163 19298 1700 1 4 . 1 1 59 59 GLY C C 59 170.310 170.310 171.963 -1.653 19298 1701 1 4 . 1 1 59 59 GLY CA C 59 45.530 45.530 45.049 0.481 19298 1702 1 4 . 1 1 59 59 GLY H H 59 6.411 6.411 7.247 -0.836 19298 1703 1 4 . 1 1 60 60 SER N N 60 110.020 110.020 115.111 -5.091 19298 1704 1 4 . 1 1 60 60 SER HA H 60 5.468 5.468 5.338 0.130 19298 1705 1 4 . 1 1 60 60 SER C C 60 172.470 172.470 173.277 -0.807 19298 1706 1 4 . 1 1 60 60 SER CA C 60 57.170 57.170 57.308 -0.138 19298 1707 1 4 . 1 1 60 60 SER CB C 60 66.610 66.610 66.678 -0.068 19298 1708 1 4 . 1 1 60 60 SER H H 60 8.280 8.280 8.263 0.017 19298 1709 1 4 . 1 1 61 61 LEU N N 61 118.490 118.490 125.302 -6.812 19298 1710 1 4 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.734 0.009 19298 1711 1 4 . 1 1 61 61 LEU C C 61 174.600 174.600 175.377 -0.777 19298 1712 1 4 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.211 0.469 19298 1713 1 4 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.993 0.387 19298 1714 1 4 . 1 1 61 61 LEU H H 61 8.953 8.953 9.161 -0.208 19298 1715 1 4 . 1 1 62 62 ILE N N 62 120.760 120.760 123.519 -2.759 19298 1716 1 4 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.963 -0.046 19298 1717 1 4 . 1 1 62 62 ILE C C 62 175.600 175.600 176.156 -0.556 19298 1718 1 4 . 1 1 62 62 ILE CA C 62 59.490 59.490 58.981 0.509 19298 1719 1 4 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.732 1.188 19298 1720 1 4 . 1 1 62 62 ILE H H 62 8.639 8.639 8.560 0.079 19298 1721 1 4 . 1 1 63 63 LYS N N 63 127.240 127.240 128.066 -0.826 19298 1722 1 4 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.718 -0.016 19298 1723 1 4 . 1 1 63 63 LYS C C 63 174.700 174.700 174.562 0.138 19298 1724 1 4 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.298 0.252 19298 1725 1 4 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.437 1.053 19298 1726 1 4 . 1 1 63 63 LYS H H 63 9.145 9.145 9.099 0.046 19298 1727 1 4 . 1 1 64 64 LEU N N 64 124.700 124.700 128.278 -3.578 19298 1728 1 4 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.545 0.157 19298 1729 1 4 . 1 1 64 64 LEU C C 64 177.470 177.470 176.218 1.252 19298 1730 1 4 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.038 -0.448 19298 1731 1 4 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.572 0.848 19298 1732 1 4 . 1 1 64 64 LEU H H 64 8.648 8.648 8.799 -0.151 19298 1733 1 4 . 1 1 65 65 THR N N 65 116.860 116.860 122.772 -5.912 19298 1734 1 4 . 1 1 65 65 THR HA H 65 4.521 4.521 4.589 -0.068 19298 1735 1 4 . 1 1 65 65 THR C C 65 174.160 174.160 174.077 0.083 19298 1736 1 4 . 1 1 65 65 THR CA C 65 60.990 60.990 60.604 0.386 19298 1737 1 4 . 1 1 65 65 THR CB C 65 70.630 70.630 70.544 0.086 19298 1738 1 4 . 1 1 65 65 THR H H 65 8.330 8.330 7.935 0.395 19298 1739 1 4 . 1 1 66 66 ALA N N 66 127.310 127.310 126.958 0.352 19298 1740 1 4 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.156 0.014 19298 1741 1 4 . 1 1 66 66 ALA C C 66 177.060 177.060 178.595 -1.535 19298 1742 1 4 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.306 -0.716 19298 1743 1 4 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.842 -0.782 19298 1744 1 4 . 1 1 66 66 ALA H H 66 8.834 8.834 8.532 0.302 19298 1745 1 4 . 1 1 67 67 ARG N N 67 113.660 113.660 118.486 -4.826 19298 1746 1 4 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.266 -0.202 19298 1747 1 4 . 1 1 67 67 ARG C C 67 175.400 175.400 175.511 -0.111 19298 1748 1 4 . 1 1 67 67 ARG CA C 67 57.310 57.310 57.221 0.089 19298 1749 1 4 . 1 1 67 67 ARG CB C 67 29.770 29.770 30.842 -1.072 19298 1750 1 4 . 1 1 67 67 ARG H H 67 8.335 8.335 8.464 -0.129 19298 1751 1 4 . 1 1 68 68 GLN N N 68 118.790 118.790 115.981 2.809 19298 1752 1 4 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.702 0.113 19298 1753 1 4 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.308 0.972 19298 1754 1 4 . 1 1 68 68 GLN H H 68 7.832 7.832 7.643 0.189 19298 1755 1 4 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.669 0.177 19298 1756 1 4 . 1 1 69 69 PRO C C 69 175.480 175.480 176.536 -1.056 19298 1757 1 4 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.806 0.095 19298 1758 1 4 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.157 1.293 19298 1759 1 4 . 1 1 70 70 VAL N N 70 117.700 117.700 121.302 -3.602 19298 1760 1 4 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.152 0.390 19298 1761 1 4 . 1 1 70 70 VAL C C 70 174.470 174.470 175.239 -0.769 19298 1762 1 4 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.219 -0.179 19298 1763 1 4 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.569 2.351 19298 1764 1 4 . 1 1 70 70 VAL H H 70 8.722 8.722 8.497 0.225 19298 1765 1 4 . 1 1 71 71 GLY N N 71 107.930 107.930 110.189 -2.259 19298 1766 1 4 . 1 1 71 71 GLY C C 71 171.000 171.000 172.579 -1.579 19298 1767 1 4 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.835 0.155 19298 1768 1 4 . 1 1 71 71 GLY H H 71 8.716 8.716 8.535 0.181 19298 1769 1 4 . 1 1 72 72 PHE N N 72 119.400 119.400 126.266 -6.866 19298 1770 1 4 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.043 0.592 19298 1771 1 4 . 1 1 72 72 PHE C C 72 175.350 175.350 175.437 -0.087 19298 1772 1 4 . 1 1 72 72 PHE CA C 72 56.830 56.830 58.053 -1.223 19298 1773 1 4 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.682 2.428 19298 1774 1 4 . 1 1 72 72 PHE H H 72 8.934 8.934 9.438 -0.504 19298 1775 1 4 . 1 1 73 73 VAL N N 73 122.000 122.000 125.326 -3.326 19298 1776 1 4 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.479 0.084 19298 1777 1 4 . 1 1 73 73 VAL C C 73 172.930 172.930 175.067 -2.137 19298 1778 1 4 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.944 -1.184 19298 1779 1 4 . 1 1 73 73 VAL CB C 73 34.570 34.570 33.320 1.250 19298 1780 1 4 . 1 1 73 73 VAL H H 73 8.934 8.934 9.126 -0.192 19298 1781 1 4 . 1 1 74 74 ILE N N 74 128.000 128.000 127.873 0.127 19298 1782 1 4 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.553 0.315 19298 1783 1 4 . 1 1 74 74 ILE C C 74 173.700 173.700 174.970 -1.270 19298 1784 1 4 . 1 1 74 74 ILE CA C 74 60.880 60.880 60.188 0.692 19298 1785 1 4 . 1 1 74 74 ILE CB C 74 33.400 33.400 38.148 -4.748 19298 1786 1 4 . 1 1 74 74 ILE H H 74 8.702 8.702 8.894 -0.192 19298 1787 1 4 . 1 1 75 75 PHE N N 75 125.200 125.200 127.366 -2.166 19298 1788 1 4 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.203 -0.056 19298 1789 1 4 . 1 1 75 75 PHE C C 75 175.880 175.880 176.656 -0.776 19298 1790 1 4 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.016 -0.796 19298 1791 1 4 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.658 3.022 19298 1792 1 4 . 1 1 75 75 PHE H H 75 8.200 8.200 9.030 -0.830 19298 1793 1 4 . 1 1 76 76 ASP N N 76 119.150 119.150 120.602 -1.452 19298 1794 1 4 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.597 -0.320 19298 1795 1 4 . 1 1 76 76 ASP C C 76 176.020 176.020 176.012 0.008 19298 1796 1 4 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.982 -1.402 19298 1797 1 4 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.646 -1.126 19298 1798 1 4 . 1 1 76 76 ASP H H 76 9.400 9.400 8.830 0.570 19298 1799 1 4 . 1 1 77 77 SER N N 77 111.280 111.280 109.958 1.322 19298 1800 1 4 . 1 1 77 77 SER HA H 77 4.683 4.683 4.683 -0.000 19298 1801 1 4 . 1 1 77 77 SER C C 77 173.670 173.670 174.506 -0.836 19298 1802 1 4 . 1 1 77 77 SER CA C 77 56.620 56.620 57.825 -1.205 19298 1803 1 4 . 1 1 77 77 SER CB C 77 66.470 66.470 66.391 0.079 19298 1804 1 4 . 1 1 77 77 SER H H 77 7.804 7.804 7.844 -0.040 19298 1805 1 4 . 1 1 78 78 ARG N N 78 125.240 125.240 123.332 1.908 19298 1806 1 4 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.369 -0.339 19298 1807 1 4 . 1 1 78 78 ARG C C 78 177.710 177.710 178.042 -0.332 19298 1808 1 4 . 1 1 78 78 ARG CA C 78 59.870 59.870 59.113 0.757 19298 1809 1 4 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.351 0.449 19298 1810 1 4 . 1 1 78 78 ARG H H 78 9.348 9.348 9.118 0.230 19298 1811 1 4 . 1 1 79 79 ALA N N 79 120.700 120.700 121.351 -0.651 19298 1812 1 4 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.694 -0.494 19298 1813 1 4 . 1 1 79 79 ALA C C 79 181.360 181.360 179.504 1.856 19298 1814 1 4 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.315 0.965 19298 1815 1 4 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.510 -0.360 19298 1816 1 4 . 1 1 79 79 ALA H H 79 8.660 8.660 8.563 0.097 19298 1817 1 4 . 1 1 80 80 GLY N N 80 107.500 107.500 106.177 1.323 19298 1818 1 4 . 1 1 80 80 GLY C C 80 175.710 175.710 175.342 0.368 19298 1819 1 4 . 1 1 80 80 GLY CA C 80 46.790 46.790 46.000 0.790 19298 1820 1 4 . 1 1 80 80 GLY H H 80 8.161 8.161 7.758 0.403 19298 1821 1 4 . 1 1 81 81 ALA N N 81 124.650 124.650 124.869 -0.219 19298 1822 1 4 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.089 -0.513 19298 1823 1 4 . 1 1 81 81 ALA C C 81 178.570 178.570 178.972 -0.402 19298 1824 1 4 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.799 -0.579 19298 1825 1 4 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.482 -0.302 19298 1826 1 4 . 1 1 81 81 ALA H H 81 7.298 7.298 7.798 -0.500 19298 1827 1 4 . 1 1 82 82 GLU N N 82 118.890 118.890 117.468 1.422 19298 1828 1 4 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.808 -0.077 19298 1829 1 4 . 1 1 82 82 GLU C C 82 177.800 177.800 178.221 -0.421 19298 1830 1 4 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.371 0.189 19298 1831 1 4 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.365 0.495 19298 1832 1 4 . 1 1 82 82 GLU H H 82 8.930 8.930 8.731 0.199 19298 1833 1 4 . 1 1 83 83 ALA N N 83 119.410 119.410 122.012 -2.602 19298 1834 1 4 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.191 -0.074 19298 1835 1 4 . 1 1 83 83 ALA C C 83 180.810 180.810 179.659 1.151 19298 1836 1 4 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.451 0.439 19298 1837 1 4 . 1 1 83 83 ALA CB C 83 18.150 18.150 17.920 0.230 19298 1838 1 4 . 1 1 83 83 ALA H H 83 7.572 7.572 7.481 0.091 19298 1839 1 4 . 1 1 84 84 ALA N N 84 120.280 120.280 120.929 -0.649 19298 1840 1 4 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.184 -1.044 19298 1841 1 4 . 1 1 84 84 ALA C C 84 178.010 178.010 179.299 -1.289 19298 1842 1 4 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.148 -0.418 19298 1843 1 4 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.299 0.411 19298 1844 1 4 . 1 1 84 84 ALA H H 84 6.950 6.950 7.876 -0.926 19298 1845 1 4 . 1 1 85 85 LYS N N 85 118.040 118.040 117.737 0.303 19298 1846 1 4 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.814 -0.226 19298 1847 1 4 . 1 1 85 85 LYS C C 85 177.700 177.700 178.803 -1.103 19298 1848 1 4 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.235 0.325 19298 1849 1 4 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.723 0.367 19298 1850 1 4 . 1 1 85 85 LYS H H 85 8.042 8.042 8.153 -0.111 19298 1851 1 4 . 1 1 86 86 ASN N N 86 114.630 114.630 118.531 -3.901 19298 1852 1 4 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.402 0.071 19298 1853 1 4 . 1 1 86 86 ASN C C 86 177.320 177.320 176.462 0.858 19298 1854 1 4 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.466 -0.396 19298 1855 1 4 . 1 1 86 86 ASN CB C 86 37.990 37.990 37.849 0.142 19298 1856 1 4 . 1 1 86 86 ASN H H 86 8.087 8.087 8.236 -0.149 19298 1857 1 4 . 1 1 87 87 ALA N N 87 120.200 120.200 120.530 -0.330 19298 1858 1 4 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.231 0.076 19298 1859 1 4 . 1 1 87 87 ALA C C 87 179.630 179.630 178.783 0.847 19298 1860 1 4 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.041 0.259 19298 1861 1 4 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.672 0.508 19298 1862 1 4 . 1 1 87 87 ALA H H 87 7.557 7.557 7.511 0.046 19298 1863 1 4 . 1 1 88 88 LEU N N 88 114.210 114.210 117.020 -2.810 19298 1864 1 4 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.311 0.102 19298 1865 1 4 . 1 1 88 88 LEU C C 88 176.580 176.580 176.631 -0.051 19298 1866 1 4 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.754 -0.344 19298 1867 1 4 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.411 1.919 19298 1868 1 4 . 1 1 88 88 LEU H H 88 7.561 7.561 8.136 -0.575 19298 1869 1 4 . 1 1 89 89 ASN N N 89 117.970 117.970 117.318 0.652 19298 1870 1 4 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.448 -0.192 19298 1871 1 4 . 1 1 89 89 ASN C C 89 177.700 177.700 176.388 1.312 19298 1872 1 4 . 1 1 89 89 ASN CA C 89 55.990 55.990 54.179 1.811 19298 1873 1 4 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.073 0.497 19298 1874 1 4 . 1 1 89 89 ASN H H 89 7.550 7.550 7.831 -0.281 19298 1875 1 4 . 1 1 90 90 GLY N N 90 112.220 112.220 112.417 -0.197 19298 1876 1 4 . 1 1 90 90 GLY C C 90 174.360 174.360 173.667 0.693 19298 1877 1 4 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.731 1.029 19298 1878 1 4 . 1 1 90 90 GLY H H 90 8.734 8.734 8.957 -0.223 19298 1879 1 4 . 1 1 91 91 ILE N N 91 115.840 115.840 121.550 -5.710 19298 1880 1 4 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.245 0.231 19298 1881 1 4 . 1 1 91 91 ILE C C 91 175.940 175.940 174.869 1.071 19298 1882 1 4 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.911 0.609 19298 1883 1 4 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.466 -0.446 19298 1884 1 4 . 1 1 91 91 ILE H H 91 7.518 7.518 7.601 -0.083 19298 1885 1 4 . 1 1 92 92 ARG N N 92 120.160 120.160 127.657 -7.497 19298 1886 1 4 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.196 0.281 19298 1887 1 4 . 1 1 92 92 ARG C C 92 175.840 175.840 176.335 -0.495 19298 1888 1 4 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.829 -0.169 19298 1889 1 4 . 1 1 92 92 ARG CB C 92 30.550 30.550 29.897 0.653 19298 1890 1 4 . 1 1 92 92 ARG H H 92 8.461 8.461 8.826 -0.365 19298 1891 1 4 . 1 1 93 93 PHE N N 93 126.780 126.780 125.497 1.283 19298 1892 1 4 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.347 -0.290 19298 1893 1 4 . 1 1 93 93 PHE C C 93 171.620 171.620 175.108 -3.488 19298 1894 1 4 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.277 1.733 19298 1895 1 4 . 1 1 93 93 PHE CB C 93 40.480 40.480 40.054 0.426 19298 1896 1 4 . 1 1 93 93 PHE H H 93 8.443 8.443 8.354 0.089 19298 1897 1 4 . 1 1 94 94 ASP N N 94 110.650 110.650 116.390 -5.740 19298 1898 1 4 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.914 -0.045 19298 1899 1 4 . 1 1 94 94 ASP CA C 94 48.530 48.530 52.178 -3.648 19298 1900 1 4 . 1 1 94 94 ASP H H 94 7.860 7.860 7.731 0.129 19298 1901 1 4 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.335 -0.488 19298 1902 1 4 . 1 1 95 95 PRO C C 95 177.650 177.650 176.277 1.373 19298 1903 1 4 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.119 -0.829 19298 1904 1 4 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.394 -0.304 19298 1905 1 4 . 1 1 96 96 GLU N N 96 115.270 115.270 116.794 -1.524 19298 1906 1 4 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.380 -0.155 19298 1907 1 4 . 1 1 96 96 GLU C C 96 175.310 175.310 175.878 -0.568 19298 1908 1 4 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.072 0.098 19298 1909 1 4 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.205 0.795 19298 1910 1 4 . 1 1 96 96 GLU H H 96 7.944 7.944 8.263 -0.319 19298 1911 1 4 . 1 1 97 97 ASN N N 97 121.610 121.610 118.751 2.859 19298 1912 1 4 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.124 0.078 19298 1913 1 4 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.800 0.061 19298 1914 1 4 . 1 1 97 97 ASN H H 97 8.190 8.190 7.607 0.583 19298 1915 1 4 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.375 -0.206 19298 1916 1 4 . 1 1 98 98 PRO C C 98 176.940 176.940 176.218 0.722 19298 1917 1 4 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.929 -0.639 19298 1918 1 4 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.736 0.474 19298 1919 1 4 . 1 1 99 99 GLN N N 99 120.230 120.230 120.537 -0.307 19298 1920 1 4 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.371 -0.188 19298 1921 1 4 . 1 1 99 99 GLN C C 99 176.660 176.660 174.553 2.107 19298 1922 1 4 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.012 2.068 19298 1923 1 4 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.949 0.041 19298 1924 1 4 . 1 1 99 99 GLN H H 99 8.174 8.174 8.136 0.038 19298 1925 1 4 . 1 1 100 100 THR N N 100 117.080 117.080 116.548 0.532 19298 1926 1 4 . 1 1 100 100 THR HA H 100 4.784 4.784 4.837 -0.053 19298 1927 1 4 . 1 1 100 100 THR C C 100 174.540 174.540 173.948 0.592 19298 1928 1 4 . 1 1 100 100 THR CA C 100 59.870 59.870 59.407 0.463 19298 1929 1 4 . 1 1 100 100 THR CB C 100 71.920 71.920 71.306 0.614 19298 1930 1 4 . 1 1 100 100 THR H H 100 8.241 8.241 8.255 -0.014 19298 1931 1 4 . 1 1 101 101 LEU N N 101 120.720 120.720 124.759 -4.039 19298 1932 1 4 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.020 -0.381 19298 1933 1 4 . 1 1 101 101 LEU C C 101 177.930 177.930 175.699 2.231 19298 1934 1 4 . 1 1 101 101 LEU CA C 101 54.660 54.660 55.056 -0.396 19298 1935 1 4 . 1 1 101 101 LEU CB C 101 44.480 44.480 42.767 1.712 19298 1936 1 4 . 1 1 101 101 LEU H H 101 8.809 8.809 9.262 -0.453 19298 1937 1 4 . 1 1 102 102 ARG N N 102 124.040 124.040 123.462 0.578 19298 1938 1 4 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.572 0.399 19298 1939 1 4 . 1 1 102 102 ARG C C 102 174.500 174.500 173.512 0.988 19298 1940 1 4 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.664 0.045 19298 1941 1 4 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.112 -0.112 19298 1942 1 4 . 1 1 102 102 ARG H H 102 8.327 8.327 9.023 -0.696 19298 1943 1 4 . 1 1 103 103 LEU N N 103 125.780 125.780 128.884 -3.104 19298 1944 1 4 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.878 0.492 19298 1945 1 4 . 1 1 103 103 LEU C C 103 174.660 174.660 175.518 -0.858 19298 1946 1 4 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.173 0.487 19298 1947 1 4 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.259 2.521 19298 1948 1 4 . 1 1 103 103 LEU H H 103 8.825 8.825 8.571 0.254 19298 1949 1 4 . 1 1 104 104 GLU N N 104 119.100 119.100 121.512 -2.412 19298 1950 1 4 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.222 0.287 19298 1951 1 4 . 1 1 104 104 GLU C C 104 175.110 175.110 174.853 0.257 19298 1952 1 4 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.261 0.179 19298 1953 1 4 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.854 0.166 19298 1954 1 4 . 1 1 104 104 GLU H H 104 8.348 8.348 7.696 0.652 19298 1955 1 4 . 1 1 105 105 PHE N N 105 121.070 121.070 120.214 0.856 19298 1956 1 4 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.440 0.171 19298 1957 1 4 . 1 1 105 105 PHE C C 105 177.060 177.060 176.400 0.660 19298 1958 1 4 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.334 1.855 19298 1959 1 4 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.563 -0.383 19298 1960 1 4 . 1 1 105 105 PHE H H 105 9.227 9.227 8.509 0.718 19298 1961 1 4 . 1 1 106 106 ALA N N 106 124.890 124.890 127.604 -2.714 19298 1962 1 4 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.756 -0.331 19298 1963 1 4 . 1 1 106 106 ALA C C 106 175.860 175.860 177.207 -1.347 19298 1964 1 4 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.243 -0.963 19298 1965 1 4 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.274 -0.524 19298 1966 1 4 . 1 1 106 106 ALA H H 106 9.567 9.567 8.537 1.030 19298 1967 1 4 . 1 1 107 107 LYS N N 107 117.510 117.510 119.407 -1.897 19298 1968 1 4 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.264 -0.092 19298 1969 1 4 . 1 1 107 107 LYS C C 107 176.060 176.060 175.582 0.478 19298 1970 1 4 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.569 -0.419 19298 1971 1 4 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.379 0.121 19298 1972 1 4 . 1 1 107 107 LYS H H 107 8.581 8.581 8.673 -0.092 19298 1973 1 4 . 1 1 108 108 ALA N N 108 118.700 118.700 121.017 -2.317 19298 1974 1 4 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.479 -0.105 19298 1975 1 4 . 1 1 108 108 ALA C C 108 176.650 176.650 175.867 0.783 19298 1976 1 4 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.313 -0.443 19298 1977 1 4 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.616 0.905 19298 1978 1 4 . 1 1 108 108 ALA H H 108 7.731 7.731 7.576 0.155 19298 1979 1 4 . 1 1 109 109 ASN N N 109 116.530 116.530 122.766 -6.236 19298 1980 1 4 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.645 0.328 19298 1981 1 4 . 1 1 109 109 ASN C C 109 175.940 175.940 174.900 1.040 19298 1982 1 4 . 1 1 109 109 ASN CA C 109 53.130 53.130 52.912 0.218 19298 1983 1 4 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.892 -0.222 19298 1984 1 4 . 1 1 109 109 ASN H H 109 8.936 8.936 8.485 0.451 19298 1985 1 4 . 1 1 110 110 THR N N 110 116.260 116.260 123.621 -7.361 19298 1986 1 4 . 1 1 110 110 THR HA H 110 4.153 4.153 4.349 -0.196 19298 1987 1 4 . 1 1 110 110 THR C C 110 173.240 173.240 173.787 -0.547 19298 1988 1 4 . 1 1 110 110 THR CA C 110 61.990 61.990 61.622 0.368 19298 1989 1 4 . 1 1 110 110 THR CB C 110 69.830 69.830 69.058 0.772 19298 1990 1 4 . 1 1 110 110 THR H H 110 7.437 7.437 8.462 -1.025 19298 1991 1 4 . 1 1 111 111 LYS N N 111 124.500 124.500 128.118 -3.618 19298 1992 1 4 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.239 0.008 19298 1993 1 4 . 1 1 111 111 LYS C C 111 176.140 176.140 177.009 -0.869 19298 1994 1 4 . 1 1 111 111 LYS CA C 111 55.930 55.930 56.979 -1.049 19298 1995 1 4 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.515 0.185 19298 1996 1 4 . 1 1 111 111 LYS H H 111 8.248 8.248 8.347 -0.099 19298 1997 1 4 . 1 1 112 112 MET N N 112 122.000 122.000 122.412 -0.412 19298 1998 1 4 . 1 1 112 112 MET HA H 112 4.408 4.408 4.268 0.140 19298 1999 1 4 . 1 1 112 112 MET C C 112 175.550 175.550 176.972 -1.422 19298 2000 1 4 . 1 1 112 112 MET CA C 112 54.780 54.780 57.389 -2.610 19298 2001 1 4 . 1 1 112 112 MET CB C 112 33.280 33.280 32.959 0.321 19298 2002 1 4 . 1 1 112 112 MET H H 112 8.290 8.290 8.542 -0.252 19298 2003 1 4 . 1 1 113 113 ALA N N 113 125.150 125.150 122.345 2.805 19298 2004 1 4 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.441 -0.185 19298 2005 1 4 . 1 1 113 113 ALA C C 113 177.580 177.580 176.478 1.102 19298 2006 1 4 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.286 1.184 19298 2007 1 4 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.104 0.036 19298 2008 1 4 . 1 1 113 113 ALA H H 113 8.213 8.213 7.780 0.433 19298 2009 1 4 . 1 1 114 114 LYS N N 114 120.740 120.740 125.519 -4.779 19298 2010 1 4 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.298 -0.042 19298 2011 1 4 . 1 1 114 114 LYS C C 114 176.790 176.790 176.226 0.564 19298 2012 1 4 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.983 0.357 19298 2013 1 4 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.550 0.320 19298 2014 1 4 . 1 1 114 114 LYS H H 114 8.261 8.261 8.627 -0.366 19298 2015 1 4 . 1 1 115 115 SER N N 115 116.780 116.780 121.960 -5.180 19298 2016 1 4 . 1 1 115 115 SER HA H 115 4.393 4.393 4.375 0.018 19298 2017 1 4 . 1 1 115 115 SER C C 115 174.710 174.710 173.925 0.785 19298 2018 1 4 . 1 1 115 115 SER CA C 115 58.410 58.410 58.857 -0.447 19298 2019 1 4 . 1 1 115 115 SER CB C 115 63.870 63.870 63.401 0.469 19298 2020 1 4 . 1 1 115 115 SER H H 115 8.268 8.268 8.735 -0.467 19298 2021 1 4 . 1 1 116 116 LYS N N 116 123.210 123.210 128.072 -4.862 19298 2022 1 4 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.485 -0.194 19298 2023 1 4 . 1 1 116 116 LYS C C 116 176.400 176.400 175.296 1.104 19298 2024 1 4 . 1 1 116 116 LYS CA C 116 56.330 56.330 55.212 1.118 19298 2025 1 4 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.526 -0.816 19298 2026 1 4 . 1 1 116 116 LYS H H 116 8.346 8.346 8.348 -0.002 19298 2027 1 4 . 1 1 117 117 LEU N N 117 122.470 122.470 128.853 -6.383 19298 2028 1 4 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.419 -0.143 19298 2029 1 4 . 1 1 117 117 LEU C C 117 177.080 177.080 176.188 0.892 19298 2030 1 4 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.025 0.025 19298 2031 1 4 . 1 1 117 117 LEU CB C 117 42.210 42.210 41.574 0.636 19298 2032 1 4 . 1 1 117 117 LEU H H 117 8.093 8.093 8.716 -0.623 19298 2033 1 5 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.677 -0.311 19298 2034 1 5 . 1 1 27 27 GLU C C 27 176.230 176.230 176.533 -0.303 19298 2035 1 5 . 1 1 27 27 GLU CA C 27 56.240 56.240 53.951 2.289 19298 2036 1 5 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.784 -0.064 19298 2037 1 5 . 1 1 28 28 GLU N N 28 122.500 122.500 120.535 1.965 19298 2038 1 5 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.292 -0.030 19298 2039 1 5 . 1 1 28 28 GLU C C 28 175.860 175.860 175.529 0.331 19298 2040 1 5 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.385 -0.025 19298 2041 1 5 . 1 1 28 28 GLU CB C 28 30.510 30.510 28.285 2.225 19298 2042 1 5 . 1 1 28 28 GLU H H 28 8.521 8.521 8.633 -0.112 19298 2043 1 5 . 1 1 29 29 GLU N N 29 123.290 123.290 120.972 2.318 19298 2044 1 5 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.234 -0.003 19298 2045 1 5 . 1 1 29 29 GLU C C 29 176.740 176.740 175.805 0.935 19298 2046 1 5 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.974 0.386 19298 2047 1 5 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.742 0.098 19298 2048 1 5 . 1 1 29 29 GLU H H 29 8.521 8.521 8.051 0.470 19298 2049 1 5 . 1 1 30 30 VAL N N 30 125.640 125.640 122.765 2.875 19298 2050 1 5 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.199 -0.392 19298 2051 1 5 . 1 1 30 30 VAL C C 30 175.110 175.110 176.325 -1.215 19298 2052 1 5 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.402 1.678 19298 2053 1 5 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.172 0.158 19298 2054 1 5 . 1 1 30 30 VAL H H 30 8.715 8.715 8.490 0.225 19298 2055 1 5 . 1 1 31 31 ARG N N 31 124.730 124.730 125.472 -0.742 19298 2056 1 5 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.614 0.060 19298 2057 1 5 . 1 1 31 31 ARG C C 31 172.600 172.600 175.402 -2.802 19298 2058 1 5 . 1 1 31 31 ARG CA C 31 54.580 54.580 56.227 -1.647 19298 2059 1 5 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.485 -1.735 19298 2060 1 5 . 1 1 31 31 ARG H H 31 9.378 9.378 8.402 0.976 19298 2061 1 5 . 1 1 32 32 THR N N 32 115.380 115.380 117.279 -1.899 19298 2062 1 5 . 1 1 32 32 THR HA H 32 5.471 5.471 5.339 0.132 19298 2063 1 5 . 1 1 32 32 THR C C 32 173.810 173.810 173.638 0.172 19298 2064 1 5 . 1 1 32 32 THR CA C 32 61.250 61.250 62.894 -1.644 19298 2065 1 5 . 1 1 32 32 THR CB C 32 71.360 71.360 70.083 1.277 19298 2066 1 5 . 1 1 32 32 THR H H 32 7.144 7.144 7.645 -0.501 19298 2067 1 5 . 1 1 33 33 LEU N N 33 124.600 124.600 127.190 -2.590 19298 2068 1 5 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.001 -0.074 19298 2069 1 5 . 1 1 33 33 LEU C C 33 174.960 174.960 175.390 -0.430 19298 2070 1 5 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.727 -0.837 19298 2071 1 5 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.766 0.144 19298 2072 1 5 . 1 1 33 33 LEU H H 33 9.701 9.701 9.380 0.321 19298 2073 1 5 . 1 1 34 34 PHE N N 34 122.600 122.600 121.897 0.703 19298 2074 1 5 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.085 0.004 19298 2075 1 5 . 1 1 34 34 PHE C C 34 174.530 174.530 174.208 0.322 19298 2076 1 5 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.008 0.733 19298 2077 1 5 . 1 1 34 34 PHE CB C 34 41.410 41.410 38.930 2.480 19298 2078 1 5 . 1 1 34 34 PHE H H 34 9.411 9.411 9.310 0.101 19298 2079 1 5 . 1 1 35 35 VAL N N 35 127.050 127.050 128.545 -1.495 19298 2080 1 5 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.562 0.164 19298 2081 1 5 . 1 1 35 35 VAL C C 35 173.520 173.520 175.578 -2.058 19298 2082 1 5 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.827 -1.177 19298 2083 1 5 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.194 1.976 19298 2084 1 5 . 1 1 35 35 VAL H H 35 8.878 8.878 8.769 0.109 19298 2085 1 5 . 1 1 36 36 SER N N 36 120.260 120.260 120.546 -0.286 19298 2086 1 5 . 1 1 36 36 SER HA H 36 4.876 4.876 4.785 0.091 19298 2087 1 5 . 1 1 36 36 SER C C 36 173.170 173.170 174.633 -1.463 19298 2088 1 5 . 1 1 36 36 SER CA C 36 56.700 56.700 56.233 0.467 19298 2089 1 5 . 1 1 36 36 SER CB C 36 65.440 65.440 66.245 -0.805 19298 2090 1 5 . 1 1 36 36 SER H H 36 8.964 8.964 8.944 0.020 19298 2091 1 5 . 1 1 37 37 GLY N N 37 108.690 108.690 108.615 0.075 19298 2092 1 5 . 1 1 37 37 GLY C C 37 174.150 174.150 173.234 0.916 19298 2093 1 5 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.252 0.278 19298 2094 1 5 . 1 1 37 37 GLY H H 37 8.567 8.567 9.144 -0.577 19298 2095 1 5 . 1 1 38 38 LEU N N 38 118.640 118.640 121.084 -2.444 19298 2096 1 5 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.213 -0.312 19298 2097 1 5 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.818 -0.408 19298 2098 1 5 . 1 1 38 38 LEU H H 38 7.426 7.426 7.291 0.135 19298 2099 1 5 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.323 0.227 19298 2100 1 5 . 1 1 39 39 PRO C C 39 177.540 177.540 177.879 -0.339 19298 2101 1 5 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.494 -0.364 19298 2102 1 5 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.434 -0.224 19298 2103 1 5 . 1 1 40 40 VAL N N 40 114.990 114.990 121.473 -6.483 19298 2104 1 5 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.832 -0.148 19298 2105 1 5 . 1 1 40 40 VAL C C 40 175.650 175.650 175.403 0.247 19298 2106 1 5 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.564 -0.104 19298 2107 1 5 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.964 -0.234 19298 2108 1 5 . 1 1 40 40 VAL H H 40 8.311 8.311 8.617 -0.306 19298 2109 1 5 . 1 1 41 41 ASP N N 41 117.410 117.410 118.029 -0.619 19298 2110 1 5 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.742 -0.058 19298 2111 1 5 . 1 1 41 41 ASP C C 41 176.140 176.140 174.978 1.162 19298 2112 1 5 . 1 1 41 41 ASP CA C 41 51.800 51.800 53.009 -1.209 19298 2113 1 5 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.491 -0.811 19298 2114 1 5 . 1 1 41 41 ASP H H 41 7.809 7.809 7.997 -0.188 19298 2115 1 5 . 1 1 42 42 ILE N N 42 119.180 119.180 121.706 -2.526 19298 2116 1 5 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.375 -0.291 19298 2117 1 5 . 1 1 42 42 ILE C C 42 173.940 173.940 175.917 -1.977 19298 2118 1 5 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.460 -0.690 19298 2119 1 5 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.812 -0.072 19298 2120 1 5 . 1 1 42 42 ILE H H 42 7.098 7.098 7.777 -0.679 19298 2121 1 5 . 1 1 43 43 LYS N N 43 126.520 126.520 130.932 -4.412 19298 2122 1 5 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.881 0.112 19298 2123 1 5 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.849 0.751 19298 2124 1 5 . 1 1 43 43 LYS H H 43 8.963 8.963 9.452 -0.489 19298 2125 1 5 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.212 -0.112 19298 2126 1 5 . 1 1 44 44 PRO C C 44 180.110 180.110 178.017 2.093 19298 2127 1 5 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.557 1.133 19298 2128 1 5 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.849 -0.039 19298 2129 1 5 . 1 1 45 45 ARG N N 45 115.440 115.440 116.910 -1.470 19298 2130 1 5 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.189 0.054 19298 2131 1 5 . 1 1 45 45 ARG C C 45 176.200 176.200 178.170 -1.970 19298 2132 1 5 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.889 -0.339 19298 2133 1 5 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.137 1.283 19298 2134 1 5 . 1 1 45 45 ARG H H 45 8.922 8.922 8.743 0.179 19298 2135 1 5 . 1 1 46 46 GLU N N 46 119.720 119.720 120.794 -1.074 19298 2136 1 5 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.162 -0.124 19298 2137 1 5 . 1 1 46 46 GLU C C 46 178.820 178.820 179.108 -0.288 19298 2138 1 5 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.333 0.877 19298 2139 1 5 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.378 1.502 19298 2140 1 5 . 1 1 46 46 GLU H H 46 8.340 8.340 8.150 0.190 19298 2141 1 5 . 1 1 47 47 LEU N N 47 115.570 115.570 119.789 -4.219 19298 2142 1 5 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.090 0.283 19298 2143 1 5 . 1 1 47 47 LEU C C 47 178.380 178.380 178.877 -0.497 19298 2144 1 5 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.609 -0.089 19298 2145 1 5 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.624 0.056 19298 2146 1 5 . 1 1 47 47 LEU H H 47 7.196 7.196 7.657 -0.461 19298 2147 1 5 . 1 1 48 48 TYR N N 48 119.670 119.670 120.546 -0.876 19298 2148 1 5 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.082 0.127 19298 2149 1 5 . 1 1 48 48 TYR C C 48 176.380 176.380 177.651 -1.271 19298 2150 1 5 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.145 -1.515 19298 2151 1 5 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.638 -2.008 19298 2152 1 5 . 1 1 48 48 TYR H H 48 6.816 6.816 7.579 -0.763 19298 2153 1 5 . 1 1 49 49 LEU N N 49 118.190 118.190 118.933 -0.743 19298 2154 1 5 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.901 -0.699 19298 2155 1 5 . 1 1 49 49 LEU C C 49 179.030 179.030 179.561 -0.531 19298 2156 1 5 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.665 0.075 19298 2157 1 5 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.724 1.506 19298 2158 1 5 . 1 1 49 49 LEU H H 49 8.129 8.129 8.521 -0.392 19298 2159 1 5 . 1 1 50 50 LEU N N 50 117.130 117.130 121.115 -3.985 19298 2160 1 5 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.914 -0.204 19298 2161 1 5 . 1 1 50 50 LEU C C 50 176.420 176.420 177.539 -1.119 19298 2162 1 5 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.744 -0.454 19298 2163 1 5 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.068 0.572 19298 2164 1 5 . 1 1 50 50 LEU H H 50 7.543 7.543 8.155 -0.612 19298 2165 1 5 . 1 1 51 51 PHE N N 51 110.420 110.420 114.303 -3.883 19298 2166 1 5 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.664 -0.004 19298 2167 1 5 . 1 1 51 51 PHE C C 51 175.110 175.110 177.059 -1.949 19298 2168 1 5 . 1 1 51 51 PHE CA C 51 59.640 59.640 57.717 1.923 19298 2169 1 5 . 1 1 51 51 PHE CB C 51 40.250 40.250 37.987 2.263 19298 2170 1 5 . 1 1 51 51 PHE H H 51 7.439 7.439 7.775 -0.336 19298 2171 1 5 . 1 1 52 52 ARG N N 52 120.680 120.680 121.128 -0.448 19298 2172 1 5 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.084 -0.341 19298 2173 1 5 . 1 1 52 52 ARG CA C 52 59.920 59.920 59.009 0.911 19298 2174 1 5 . 1 1 52 52 ARG H H 52 7.865 7.865 7.302 0.563 19298 2175 1 5 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.470 -0.268 19298 2176 1 5 . 1 1 53 53 PRO C C 53 176.600 176.600 176.166 0.434 19298 2177 1 5 . 1 1 53 53 PRO CA C 53 64.540 64.540 62.881 1.659 19298 2178 1 5 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.653 -0.693 19298 2179 1 5 . 1 1 54 54 PHE N N 54 117.470 117.470 121.618 -4.148 19298 2180 1 5 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.694 -0.438 19298 2181 1 5 . 1 1 54 54 PHE C C 54 175.500 175.500 175.000 0.500 19298 2182 1 5 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.498 2.702 19298 2183 1 5 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.735 -0.055 19298 2184 1 5 . 1 1 54 54 PHE H H 54 7.943 7.943 7.633 0.310 19298 2185 1 5 . 1 1 55 55 LYS N N 55 126.460 126.460 124.621 1.839 19298 2186 1 5 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.292 -0.139 19298 2187 1 5 . 1 1 55 55 LYS C C 55 177.900 177.900 176.733 1.167 19298 2188 1 5 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.503 0.537 19298 2189 1 5 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.452 1.078 19298 2190 1 5 . 1 1 55 55 LYS H H 55 8.571 8.571 8.017 0.554 19298 2191 1 5 . 1 1 56 56 GLY N N 56 112.780 112.780 111.451 1.329 19298 2192 1 5 . 1 1 56 56 GLY C C 56 174.830 174.830 173.988 0.842 19298 2193 1 5 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.729 0.421 19298 2194 1 5 . 1 1 56 56 GLY H H 56 9.045 9.045 8.523 0.522 19298 2195 1 5 . 1 1 57 57 TYR N N 57 121.700 121.700 123.652 -1.952 19298 2196 1 5 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.822 -0.746 19298 2197 1 5 . 1 1 57 57 TYR C C 57 175.260 175.260 174.539 0.721 19298 2198 1 5 . 1 1 57 57 TYR CA C 57 59.650 59.650 58.680 0.970 19298 2199 1 5 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.271 0.919 19298 2200 1 5 . 1 1 57 57 TYR H H 57 7.560 7.560 7.812 -0.252 19298 2201 1 5 . 1 1 58 58 GLU N N 58 128.500 128.500 126.407 2.093 19298 2202 1 5 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.238 0.030 19298 2203 1 5 . 1 1 58 58 GLU C C 58 175.700 175.700 176.111 -0.411 19298 2204 1 5 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.300 -0.960 19298 2205 1 5 . 1 1 58 58 GLU CB C 58 31.730 31.730 30.924 0.806 19298 2206 1 5 . 1 1 58 58 GLU H H 58 8.356 8.356 8.153 0.203 19298 2207 1 5 . 1 1 59 59 GLY N N 59 104.920 104.920 107.025 -2.105 19298 2208 1 5 . 1 1 59 59 GLY C C 59 170.310 170.310 171.853 -1.543 19298 2209 1 5 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.823 0.707 19298 2210 1 5 . 1 1 59 59 GLY H H 59 6.411 6.411 7.524 -1.113 19298 2211 1 5 . 1 1 60 60 SER N N 60 110.020 110.020 114.387 -4.367 19298 2212 1 5 . 1 1 60 60 SER HA H 60 5.468 5.468 5.068 0.400 19298 2213 1 5 . 1 1 60 60 SER C C 60 172.470 172.470 173.177 -0.707 19298 2214 1 5 . 1 1 60 60 SER CA C 60 57.170 57.170 57.095 0.075 19298 2215 1 5 . 1 1 60 60 SER CB C 60 66.610 66.610 66.666 -0.056 19298 2216 1 5 . 1 1 60 60 SER H H 60 8.280 8.280 8.085 0.195 19298 2217 1 5 . 1 1 61 61 LEU N N 61 118.490 118.490 125.906 -7.416 19298 2218 1 5 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.795 -0.052 19298 2219 1 5 . 1 1 61 61 LEU C C 61 174.600 174.600 174.671 -0.071 19298 2220 1 5 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.971 0.709 19298 2221 1 5 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.203 1.177 19298 2222 1 5 . 1 1 61 61 LEU H H 61 8.953 8.953 9.079 -0.126 19298 2223 1 5 . 1 1 62 62 ILE N N 62 120.760 120.760 128.041 -7.281 19298 2224 1 5 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.821 0.096 19298 2225 1 5 . 1 1 62 62 ILE C C 62 175.600 175.600 175.588 0.012 19298 2226 1 5 . 1 1 62 62 ILE CA C 62 59.490 59.490 60.469 -0.979 19298 2227 1 5 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.961 0.959 19298 2228 1 5 . 1 1 62 62 ILE H H 62 8.639 8.639 8.610 0.029 19298 2229 1 5 . 1 1 63 63 LYS N N 63 127.240 127.240 128.421 -1.181 19298 2230 1 5 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.725 -0.023 19298 2231 1 5 . 1 1 63 63 LYS C C 63 174.700 174.700 174.581 0.119 19298 2232 1 5 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.584 -0.034 19298 2233 1 5 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.869 -0.379 19298 2234 1 5 . 1 1 63 63 LYS H H 63 9.145 9.145 9.110 0.035 19298 2235 1 5 . 1 1 64 64 LEU N N 64 124.700 124.700 128.286 -3.586 19298 2236 1 5 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.526 0.176 19298 2237 1 5 . 1 1 64 64 LEU C C 64 177.470 177.470 176.051 1.419 19298 2238 1 5 . 1 1 64 64 LEU CA C 64 54.590 54.590 54.799 -0.209 19298 2239 1 5 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.617 0.803 19298 2240 1 5 . 1 1 64 64 LEU H H 64 8.648 8.648 8.746 -0.098 19298 2241 1 5 . 1 1 65 65 THR N N 65 116.860 116.860 123.270 -6.410 19298 2242 1 5 . 1 1 65 65 THR HA H 65 4.521 4.521 4.524 -0.003 19298 2243 1 5 . 1 1 65 65 THR C C 65 174.160 174.160 175.176 -1.016 19298 2244 1 5 . 1 1 65 65 THR CA C 65 60.990 60.990 61.316 -0.326 19298 2245 1 5 . 1 1 65 65 THR CB C 65 70.630 70.630 70.685 -0.055 19298 2246 1 5 . 1 1 65 65 THR H H 65 8.330 8.330 8.301 0.029 19298 2247 1 5 . 1 1 66 66 ALA N N 66 127.310 127.310 127.333 -0.023 19298 2248 1 5 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.126 0.044 19298 2249 1 5 . 1 1 66 66 ALA C C 66 177.060 177.060 178.155 -1.095 19298 2250 1 5 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.788 -1.198 19298 2251 1 5 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.484 -0.424 19298 2252 1 5 . 1 1 66 66 ALA H H 66 8.834 8.834 8.597 0.237 19298 2253 1 5 . 1 1 67 67 ARG N N 67 113.660 113.660 115.631 -1.971 19298 2254 1 5 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.376 -0.312 19298 2255 1 5 . 1 1 67 67 ARG C C 67 175.400 175.400 175.514 -0.114 19298 2256 1 5 . 1 1 67 67 ARG CA C 67 57.310 57.310 55.967 1.343 19298 2257 1 5 . 1 1 67 67 ARG CB C 67 29.770 29.770 30.826 -1.056 19298 2258 1 5 . 1 1 67 67 ARG H H 67 8.335 8.335 8.303 0.032 19298 2259 1 5 . 1 1 68 68 GLN N N 68 118.790 118.790 116.784 2.006 19298 2260 1 5 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.638 0.177 19298 2261 1 5 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.053 0.227 19298 2262 1 5 . 1 1 68 68 GLN H H 68 7.832 7.832 7.515 0.317 19298 2263 1 5 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.978 -0.132 19298 2264 1 5 . 1 1 69 69 PRO C C 69 175.480 175.480 176.383 -0.903 19298 2265 1 5 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.486 0.414 19298 2266 1 5 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.814 0.636 19298 2267 1 5 . 1 1 70 70 VAL N N 70 117.700 117.700 120.031 -2.331 19298 2268 1 5 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.444 0.098 19298 2269 1 5 . 1 1 70 70 VAL C C 70 174.470 174.470 175.076 -0.606 19298 2270 1 5 . 1 1 70 70 VAL CA C 70 60.040 60.040 59.978 0.062 19298 2271 1 5 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.730 2.190 19298 2272 1 5 . 1 1 70 70 VAL H H 70 8.722 8.722 8.806 -0.084 19298 2273 1 5 . 1 1 71 71 GLY N N 71 107.930 107.930 110.757 -2.827 19298 2274 1 5 . 1 1 71 71 GLY C C 71 171.000 171.000 172.560 -1.560 19298 2275 1 5 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.129 -0.139 19298 2276 1 5 . 1 1 71 71 GLY H H 71 8.716 8.716 8.513 0.203 19298 2277 1 5 . 1 1 72 72 PHE N N 72 119.400 119.400 125.723 -6.323 19298 2278 1 5 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.139 0.496 19298 2279 1 5 . 1 1 72 72 PHE C C 72 175.350 175.350 175.361 -0.011 19298 2280 1 5 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.742 -0.912 19298 2281 1 5 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.418 2.692 19298 2282 1 5 . 1 1 72 72 PHE H H 72 8.934 8.934 9.208 -0.274 19298 2283 1 5 . 1 1 73 73 VAL N N 73 122.000 122.000 125.592 -3.592 19298 2284 1 5 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.195 0.368 19298 2285 1 5 . 1 1 73 73 VAL C C 73 172.930 172.930 174.971 -2.041 19298 2286 1 5 . 1 1 73 73 VAL CA C 73 60.760 60.760 62.255 -1.495 19298 2287 1 5 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.190 2.380 19298 2288 1 5 . 1 1 73 73 VAL H H 73 8.934 8.934 9.278 -0.344 19298 2289 1 5 . 1 1 74 74 ILE N N 74 128.000 128.000 127.471 0.529 19298 2290 1 5 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.438 0.429 19298 2291 1 5 . 1 1 74 74 ILE C C 74 173.700 173.700 175.056 -1.356 19298 2292 1 5 . 1 1 74 74 ILE CA C 74 60.880 60.880 60.743 0.137 19298 2293 1 5 . 1 1 74 74 ILE CB C 74 33.400 33.400 37.675 -4.275 19298 2294 1 5 . 1 1 74 74 ILE H H 74 8.702 8.702 8.670 0.032 19298 2295 1 5 . 1 1 75 75 PHE N N 75 125.200 125.200 126.136 -0.936 19298 2296 1 5 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.209 -0.062 19298 2297 1 5 . 1 1 75 75 PHE C C 75 175.880 175.880 176.567 -0.687 19298 2298 1 5 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.570 -1.350 19298 2299 1 5 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.081 3.599 19298 2300 1 5 . 1 1 75 75 PHE H H 75 8.200 8.200 9.105 -0.905 19298 2301 1 5 . 1 1 76 76 ASP N N 76 119.150 119.150 119.713 -0.563 19298 2302 1 5 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.471 -0.194 19298 2303 1 5 . 1 1 76 76 ASP C C 76 176.020 176.020 175.371 0.649 19298 2304 1 5 . 1 1 76 76 ASP CA C 76 55.580 55.580 57.338 -1.758 19298 2305 1 5 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.831 -1.311 19298 2306 1 5 . 1 1 76 76 ASP H H 76 9.400 9.400 8.727 0.673 19298 2307 1 5 . 1 1 77 77 SER N N 77 111.280 111.280 108.921 2.359 19298 2308 1 5 . 1 1 77 77 SER HA H 77 4.683 4.683 4.792 -0.109 19298 2309 1 5 . 1 1 77 77 SER C C 77 173.670 173.670 174.431 -0.761 19298 2310 1 5 . 1 1 77 77 SER CA C 77 56.620 56.620 57.110 -0.490 19298 2311 1 5 . 1 1 77 77 SER CB C 77 66.470 66.470 67.089 -0.619 19298 2312 1 5 . 1 1 77 77 SER H H 77 7.804 7.804 7.682 0.122 19298 2313 1 5 . 1 1 78 78 ARG N N 78 125.240 125.240 121.719 3.521 19298 2314 1 5 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.645 -0.615 19298 2315 1 5 . 1 1 78 78 ARG C C 78 177.710 177.710 177.822 -0.112 19298 2316 1 5 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.582 1.288 19298 2317 1 5 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.816 -0.016 19298 2318 1 5 . 1 1 78 78 ARG H H 78 9.348 9.348 9.449 -0.101 19298 2319 1 5 . 1 1 79 79 ALA N N 79 120.700 120.700 122.211 -1.511 19298 2320 1 5 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.265 -0.065 19298 2321 1 5 . 1 1 79 79 ALA C C 79 181.360 181.360 179.653 1.707 19298 2322 1 5 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.913 0.367 19298 2323 1 5 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.059 0.091 19298 2324 1 5 . 1 1 79 79 ALA H H 79 8.660 8.660 7.746 0.914 19298 2325 1 5 . 1 1 80 80 GLY N N 80 107.500 107.500 105.684 1.816 19298 2326 1 5 . 1 1 80 80 GLY C C 80 175.710 175.710 175.461 0.249 19298 2327 1 5 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.785 1.005 19298 2328 1 5 . 1 1 80 80 GLY H H 80 8.161 8.161 8.192 -0.031 19298 2329 1 5 . 1 1 81 81 ALA N N 81 124.650 124.650 125.109 -0.459 19298 2330 1 5 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.169 -0.593 19298 2331 1 5 . 1 1 81 81 ALA C C 81 178.570 178.570 178.966 -0.396 19298 2332 1 5 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.783 -0.563 19298 2333 1 5 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.405 -0.225 19298 2334 1 5 . 1 1 81 81 ALA H H 81 7.298 7.298 7.995 -0.697 19298 2335 1 5 . 1 1 82 82 GLU N N 82 118.890 118.890 118.258 0.632 19298 2336 1 5 . 1 1 82 82 GLU HA H 82 3.731 3.731 4.029 -0.298 19298 2337 1 5 . 1 1 82 82 GLU C C 82 177.800 177.800 178.352 -0.552 19298 2338 1 5 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.007 0.553 19298 2339 1 5 . 1 1 82 82 GLU CB C 82 29.860 29.860 28.787 1.073 19298 2340 1 5 . 1 1 82 82 GLU H H 82 8.930 8.930 8.692 0.238 19298 2341 1 5 . 1 1 83 83 ALA N N 83 119.410 119.410 121.930 -2.520 19298 2342 1 5 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.172 -0.055 19298 2343 1 5 . 1 1 83 83 ALA C C 83 180.810 180.810 179.516 1.294 19298 2344 1 5 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.599 0.291 19298 2345 1 5 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.063 0.087 19298 2346 1 5 . 1 1 83 83 ALA H H 83 7.572 7.572 7.526 0.046 19298 2347 1 5 . 1 1 84 84 ALA N N 84 120.280 120.280 121.036 -0.756 19298 2348 1 5 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.338 -1.198 19298 2349 1 5 . 1 1 84 84 ALA C C 84 178.010 178.010 179.538 -1.528 19298 2350 1 5 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.291 -0.561 19298 2351 1 5 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.428 0.282 19298 2352 1 5 . 1 1 84 84 ALA H H 84 6.950 6.950 8.053 -1.103 19298 2353 1 5 . 1 1 85 85 LYS N N 85 118.040 118.040 117.710 0.330 19298 2354 1 5 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.911 -0.323 19298 2355 1 5 . 1 1 85 85 LYS C C 85 177.700 177.700 178.577 -0.877 19298 2356 1 5 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.468 0.092 19298 2357 1 5 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.845 0.245 19298 2358 1 5 . 1 1 85 85 LYS H H 85 8.042 8.042 8.374 -0.332 19298 2359 1 5 . 1 1 86 86 ASN N N 86 114.630 114.630 117.898 -3.268 19298 2360 1 5 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.542 -0.069 19298 2361 1 5 . 1 1 86 86 ASN C C 86 177.320 177.320 176.534 0.786 19298 2362 1 5 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.934 -0.863 19298 2363 1 5 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.463 -0.473 19298 2364 1 5 . 1 1 86 86 ASN H H 86 8.087 8.087 7.987 0.100 19298 2365 1 5 . 1 1 87 87 ALA N N 87 120.200 120.200 121.843 -1.643 19298 2366 1 5 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.238 0.069 19298 2367 1 5 . 1 1 87 87 ALA C C 87 179.630 179.630 178.544 1.086 19298 2368 1 5 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.315 -0.015 19298 2369 1 5 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.695 0.485 19298 2370 1 5 . 1 1 87 87 ALA H H 87 7.557 7.557 7.406 0.151 19298 2371 1 5 . 1 1 88 88 LEU N N 88 114.210 114.210 117.071 -2.861 19298 2372 1 5 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.463 -0.050 19298 2373 1 5 . 1 1 88 88 LEU C C 88 176.580 176.580 176.720 -0.140 19298 2374 1 5 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.811 -0.401 19298 2375 1 5 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.679 1.651 19298 2376 1 5 . 1 1 88 88 LEU H H 88 7.561 7.561 7.926 -0.365 19298 2377 1 5 . 1 1 89 89 ASN N N 89 117.970 117.970 117.208 0.762 19298 2378 1 5 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.602 -0.346 19298 2379 1 5 . 1 1 89 89 ASN C C 89 177.700 177.700 176.347 1.353 19298 2380 1 5 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.698 2.292 19298 2381 1 5 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.733 -0.163 19298 2382 1 5 . 1 1 89 89 ASN H H 89 7.550 7.550 8.137 -0.587 19298 2383 1 5 . 1 1 90 90 GLY N N 90 112.220 112.220 111.632 0.588 19298 2384 1 5 . 1 1 90 90 GLY C C 90 174.360 174.360 173.276 1.084 19298 2385 1 5 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.809 0.951 19298 2386 1 5 . 1 1 90 90 GLY H H 90 8.734 8.734 9.087 -0.353 19298 2387 1 5 . 1 1 91 91 ILE N N 91 115.840 115.840 120.733 -4.893 19298 2388 1 5 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.370 0.106 19298 2389 1 5 . 1 1 91 91 ILE C C 91 175.940 175.940 174.424 1.516 19298 2390 1 5 . 1 1 91 91 ILE CA C 91 60.520 60.520 58.968 1.552 19298 2391 1 5 . 1 1 91 91 ILE CB C 91 39.020 39.020 40.523 -1.502 19298 2392 1 5 . 1 1 91 91 ILE H H 91 7.518 7.518 7.394 0.124 19298 2393 1 5 . 1 1 92 92 ARG N N 92 120.160 120.160 128.154 -7.994 19298 2394 1 5 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.389 0.088 19298 2395 1 5 . 1 1 92 92 ARG C C 92 175.840 175.840 176.125 -0.285 19298 2396 1 5 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.995 -0.335 19298 2397 1 5 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.184 0.365 19298 2398 1 5 . 1 1 92 92 ARG H H 92 8.461 8.461 8.733 -0.272 19298 2399 1 5 . 1 1 93 93 PHE N N 93 126.780 126.780 126.156 0.624 19298 2400 1 5 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.206 -0.149 19298 2401 1 5 . 1 1 93 93 PHE C C 93 171.620 171.620 175.296 -3.676 19298 2402 1 5 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.563 0.447 19298 2403 1 5 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.672 0.808 19298 2404 1 5 . 1 1 93 93 PHE H H 93 8.443 8.443 8.302 0.141 19298 2405 1 5 . 1 1 94 94 ASP N N 94 110.650 110.650 115.813 -5.163 19298 2406 1 5 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.927 -0.058 19298 2407 1 5 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.939 -3.409 19298 2408 1 5 . 1 1 94 94 ASP H H 94 7.860 7.860 7.797 0.063 19298 2409 1 5 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.354 -0.507 19298 2410 1 5 . 1 1 95 95 PRO C C 95 177.650 177.650 177.221 0.429 19298 2411 1 5 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.477 -1.187 19298 2412 1 5 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.339 -0.249 19298 2413 1 5 . 1 1 96 96 GLU N N 96 115.270 115.270 115.420 -0.150 19298 2414 1 5 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.311 -0.086 19298 2415 1 5 . 1 1 96 96 GLU C C 96 175.310 175.310 176.329 -1.019 19298 2416 1 5 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.277 -0.107 19298 2417 1 5 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.135 0.865 19298 2418 1 5 . 1 1 96 96 GLU H H 96 7.944 7.944 8.471 -0.527 19298 2419 1 5 . 1 1 97 97 ASN N N 97 121.610 121.610 118.712 2.898 19298 2420 1 5 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.993 0.209 19298 2421 1 5 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.112 -0.252 19298 2422 1 5 . 1 1 97 97 ASN H H 97 8.190 8.190 7.385 0.805 19298 2423 1 5 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.339 -0.170 19298 2424 1 5 . 1 1 98 98 PRO C C 98 176.940 176.940 176.437 0.503 19298 2425 1 5 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.758 -0.468 19298 2426 1 5 . 1 1 98 98 PRO CB C 98 32.210 32.210 32.018 0.192 19298 2427 1 5 . 1 1 99 99 GLN N N 99 120.230 120.230 120.884 -0.654 19298 2428 1 5 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.196 -0.013 19298 2429 1 5 . 1 1 99 99 GLN C C 99 176.660 176.660 175.081 1.579 19298 2430 1 5 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.941 1.139 19298 2431 1 5 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.493 0.497 19298 2432 1 5 . 1 1 99 99 GLN H H 99 8.174 8.174 8.200 -0.026 19298 2433 1 5 . 1 1 100 100 THR N N 100 117.080 117.080 116.208 0.872 19298 2434 1 5 . 1 1 100 100 THR HA H 100 4.784 4.784 4.463 0.321 19298 2435 1 5 . 1 1 100 100 THR C C 100 174.540 174.540 173.483 1.057 19298 2436 1 5 . 1 1 100 100 THR CA C 100 59.870 59.870 59.953 -0.083 19298 2437 1 5 . 1 1 100 100 THR CB C 100 71.920 71.920 70.492 1.428 19298 2438 1 5 . 1 1 100 100 THR H H 100 8.241 8.241 8.136 0.105 19298 2439 1 5 . 1 1 101 101 LEU N N 101 120.720 120.720 127.228 -6.508 19298 2440 1 5 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.069 -0.430 19298 2441 1 5 . 1 1 101 101 LEU C C 101 177.930 177.930 174.635 3.295 19298 2442 1 5 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.077 0.583 19298 2443 1 5 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.488 -0.008 19298 2444 1 5 . 1 1 101 101 LEU H H 101 8.809 8.809 9.076 -0.267 19298 2445 1 5 . 1 1 102 102 ARG N N 102 124.040 124.040 125.825 -1.785 19298 2446 1 5 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.744 0.227 19298 2447 1 5 . 1 1 102 102 ARG C C 102 174.500 174.500 173.497 1.003 19298 2448 1 5 . 1 1 102 102 ARG CA C 102 54.710 54.710 53.955 0.755 19298 2449 1 5 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.625 -0.625 19298 2450 1 5 . 1 1 102 102 ARG H H 102 8.327 8.327 9.105 -0.778 19298 2451 1 5 . 1 1 103 103 LEU N N 103 125.780 125.780 126.718 -0.938 19298 2452 1 5 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.808 0.562 19298 2453 1 5 . 1 1 103 103 LEU C C 103 174.660 174.660 175.507 -0.847 19298 2454 1 5 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.192 0.468 19298 2455 1 5 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.885 1.895 19298 2456 1 5 . 1 1 103 103 LEU H H 103 8.825 8.825 8.674 0.151 19298 2457 1 5 . 1 1 104 104 GLU N N 104 119.100 119.100 121.098 -1.998 19298 2458 1 5 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.435 0.074 19298 2459 1 5 . 1 1 104 104 GLU C C 104 175.110 175.110 174.757 0.353 19298 2460 1 5 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.565 -0.125 19298 2461 1 5 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.730 0.290 19298 2462 1 5 . 1 1 104 104 GLU H H 104 8.348 8.348 8.031 0.317 19298 2463 1 5 . 1 1 105 105 PHE N N 105 121.070 121.070 121.893 -0.823 19298 2464 1 5 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.633 -0.022 19298 2465 1 5 . 1 1 105 105 PHE C C 105 177.060 177.060 176.713 0.347 19298 2466 1 5 . 1 1 105 105 PHE CA C 105 61.190 61.190 60.044 1.147 19298 2467 1 5 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.625 -0.445 19298 2468 1 5 . 1 1 105 105 PHE H H 105 9.227 9.227 8.823 0.404 19298 2469 1 5 . 1 1 106 106 ALA N N 106 124.890 124.890 128.288 -3.398 19298 2470 1 5 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.707 -0.282 19298 2471 1 5 . 1 1 106 106 ALA C C 106 175.860 175.860 176.414 -0.554 19298 2472 1 5 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.234 -0.954 19298 2473 1 5 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.055 -0.305 19298 2474 1 5 . 1 1 106 106 ALA H H 106 9.567 9.567 8.691 0.876 19298 2475 1 5 . 1 1 107 107 LYS N N 107 117.510 117.510 121.374 -3.864 19298 2476 1 5 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.333 -0.161 19298 2477 1 5 . 1 1 107 107 LYS C C 107 176.060 176.060 175.810 0.250 19298 2478 1 5 . 1 1 107 107 LYS CA C 107 57.150 57.150 56.775 0.375 19298 2479 1 5 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.309 0.191 19298 2480 1 5 . 1 1 107 107 LYS H H 107 8.581 8.581 8.601 -0.020 19298 2481 1 5 . 1 1 108 108 ALA N N 108 118.700 118.700 121.484 -2.784 19298 2482 1 5 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.525 -0.151 19298 2483 1 5 . 1 1 108 108 ALA C C 108 176.650 176.650 175.636 1.014 19298 2484 1 5 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.318 -0.448 19298 2485 1 5 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.586 0.934 19298 2486 1 5 . 1 1 108 108 ALA H H 108 7.731 7.731 7.599 0.132 19298 2487 1 5 . 1 1 109 109 ASN N N 109 116.530 116.530 123.119 -6.589 19298 2488 1 5 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.738 0.235 19298 2489 1 5 . 1 1 109 109 ASN C C 109 175.940 175.940 175.123 0.817 19298 2490 1 5 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.238 -0.108 19298 2491 1 5 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.925 -0.255 19298 2492 1 5 . 1 1 109 109 ASN H H 109 8.936 8.936 8.607 0.329 19298 2493 1 5 . 1 1 110 110 THR N N 110 116.260 116.260 121.495 -5.235 19298 2494 1 5 . 1 1 110 110 THR HA H 110 4.153 4.153 4.490 -0.337 19298 2495 1 5 . 1 1 110 110 THR C C 110 173.240 173.240 173.122 0.118 19298 2496 1 5 . 1 1 110 110 THR CA C 110 61.990 61.990 61.886 0.104 19298 2497 1 5 . 1 1 110 110 THR CB C 110 69.830 69.830 70.556 -0.726 19298 2498 1 5 . 1 1 110 110 THR H H 110 7.437 7.437 8.942 -1.505 19298 2499 1 5 . 1 1 111 111 LYS N N 111 124.500 124.500 123.941 0.559 19298 2500 1 5 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.455 -0.208 19298 2501 1 5 . 1 1 111 111 LYS C C 111 176.140 176.140 176.058 0.082 19298 2502 1 5 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.177 0.753 19298 2503 1 5 . 1 1 111 111 LYS CB C 111 32.700 32.700 33.490 -0.790 19298 2504 1 5 . 1 1 111 111 LYS H H 111 8.248 8.248 8.141 0.107 19298 2505 1 5 . 1 1 112 112 MET N N 112 122.000 122.000 119.193 2.807 19298 2506 1 5 . 1 1 112 112 MET HA H 112 4.408 4.408 4.428 -0.020 19298 2507 1 5 . 1 1 112 112 MET C C 112 175.550 175.550 176.913 -1.363 19298 2508 1 5 . 1 1 112 112 MET CA C 112 54.780 54.780 54.763 0.017 19298 2509 1 5 . 1 1 112 112 MET CB C 112 33.280 33.280 33.014 0.266 19298 2510 1 5 . 1 1 112 112 MET H H 112 8.290 8.290 8.257 0.033 19298 2511 1 5 . 1 1 113 113 ALA N N 113 125.150 125.150 123.512 1.638 19298 2512 1 5 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.286 -0.030 19298 2513 1 5 . 1 1 113 113 ALA C C 113 177.580 177.580 176.322 1.258 19298 2514 1 5 . 1 1 113 113 ALA CA C 113 52.470 52.470 52.267 0.203 19298 2515 1 5 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.207 1.933 19298 2516 1 5 . 1 1 113 113 ALA H H 113 8.213 8.213 8.428 -0.215 19298 2517 1 5 . 1 1 114 114 LYS N N 114 120.740 120.740 125.680 -4.940 19298 2518 1 5 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.453 -0.197 19298 2519 1 5 . 1 1 114 114 LYS C C 114 176.790 176.790 175.677 1.113 19298 2520 1 5 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.785 0.555 19298 2521 1 5 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.026 -0.156 19298 2522 1 5 . 1 1 114 114 LYS H H 114 8.261 8.261 7.977 0.284 19298 2523 1 5 . 1 1 115 115 SER N N 115 116.780 116.780 121.742 -4.962 19298 2524 1 5 . 1 1 115 115 SER HA H 115 4.393 4.393 4.455 -0.062 19298 2525 1 5 . 1 1 115 115 SER C C 115 174.710 174.710 174.535 0.175 19298 2526 1 5 . 1 1 115 115 SER CA C 115 58.410 58.410 57.742 0.668 19298 2527 1 5 . 1 1 115 115 SER CB C 115 63.870 63.870 63.598 0.272 19298 2528 1 5 . 1 1 115 115 SER H H 115 8.268 8.268 8.757 -0.489 19298 2529 1 5 . 1 1 116 116 LYS N N 116 123.210 123.210 129.423 -6.213 19298 2530 1 5 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.369 -0.078 19298 2531 1 5 . 1 1 116 116 LYS C C 116 176.400 176.400 175.555 0.845 19298 2532 1 5 . 1 1 116 116 LYS CA C 116 56.330 56.330 55.615 0.715 19298 2533 1 5 . 1 1 116 116 LYS CB C 116 32.710 32.710 30.932 1.778 19298 2534 1 5 . 1 1 116 116 LYS H H 116 8.346 8.346 8.790 -0.444 19298 2535 1 5 . 1 1 117 117 LEU N N 117 122.470 122.470 124.657 -2.187 19298 2536 1 5 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.504 -0.228 19298 2537 1 5 . 1 1 117 117 LEU C C 117 177.080 177.080 176.545 0.535 19298 2538 1 5 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.771 -0.721 19298 2539 1 5 . 1 1 117 117 LEU CB C 117 42.210 42.210 43.433 -1.223 19298 2540 1 5 . 1 1 117 117 LEU H H 117 8.093 8.093 8.100 -0.007 19298 2541 1 6 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.329 0.037 19298 2542 1 6 . 1 1 27 27 GLU C C 27 176.230 176.230 177.412 -1.182 19298 2543 1 6 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.757 -0.517 19298 2544 1 6 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.409 0.311 19298 2545 1 6 . 1 1 28 28 GLU N N 28 122.500 122.500 121.239 1.261 19298 2546 1 6 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.472 -0.210 19298 2547 1 6 . 1 1 28 28 GLU C C 28 175.860 175.860 175.468 0.392 19298 2548 1 6 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.085 0.275 19298 2549 1 6 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.952 0.558 19298 2550 1 6 . 1 1 28 28 GLU H H 28 8.521 8.521 8.303 0.218 19298 2551 1 6 . 1 1 29 29 GLU N N 29 123.290 123.290 123.746 -0.456 19298 2552 1 6 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.542 -0.311 19298 2553 1 6 . 1 1 29 29 GLU C C 29 176.740 176.740 174.802 1.938 19298 2554 1 6 . 1 1 29 29 GLU CA C 29 56.360 56.360 54.167 2.193 19298 2555 1 6 . 1 1 29 29 GLU CB C 29 30.840 30.840 33.029 -2.189 19298 2556 1 6 . 1 1 29 29 GLU H H 29 8.521 8.521 8.388 0.133 19298 2557 1 6 . 1 1 30 30 VAL N N 30 125.640 125.640 119.957 5.683 19298 2558 1 6 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.272 -0.465 19298 2559 1 6 . 1 1 30 30 VAL C C 30 175.110 175.110 175.604 -0.494 19298 2560 1 6 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.249 2.831 19298 2561 1 6 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.114 0.216 19298 2562 1 6 . 1 1 30 30 VAL H H 30 8.715 8.715 8.344 0.371 19298 2563 1 6 . 1 1 31 31 ARG N N 31 124.730 124.730 124.677 0.053 19298 2564 1 6 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.689 -0.015 19298 2565 1 6 . 1 1 31 31 ARG C C 31 172.600 172.600 175.711 -3.111 19298 2566 1 6 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.656 -1.076 19298 2567 1 6 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.424 -1.674 19298 2568 1 6 . 1 1 31 31 ARG H H 31 9.378 9.378 8.784 0.594 19298 2569 1 6 . 1 1 32 32 THR N N 32 115.380 115.380 118.157 -2.777 19298 2570 1 6 . 1 1 32 32 THR HA H 32 5.471 5.471 5.603 -0.132 19298 2571 1 6 . 1 1 32 32 THR C C 32 173.810 173.810 173.356 0.454 19298 2572 1 6 . 1 1 32 32 THR CA C 32 61.250 61.250 62.163 -0.913 19298 2573 1 6 . 1 1 32 32 THR CB C 32 71.360 71.360 71.363 -0.003 19298 2574 1 6 . 1 1 32 32 THR H H 32 7.144 7.144 8.056 -0.912 19298 2575 1 6 . 1 1 33 33 LEU N N 33 124.600 124.600 126.940 -2.340 19298 2576 1 6 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.105 -0.178 19298 2577 1 6 . 1 1 33 33 LEU C C 33 174.960 174.960 175.422 -0.462 19298 2578 1 6 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.569 -0.679 19298 2579 1 6 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.987 -0.077 19298 2580 1 6 . 1 1 33 33 LEU H H 33 9.701 9.701 9.331 0.370 19298 2581 1 6 . 1 1 34 34 PHE N N 34 122.600 122.600 119.634 2.966 19298 2582 1 6 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.199 -0.110 19298 2583 1 6 . 1 1 34 34 PHE C C 34 174.530 174.530 173.890 0.640 19298 2584 1 6 . 1 1 34 34 PHE CA C 34 55.740 55.740 54.888 0.852 19298 2585 1 6 . 1 1 34 34 PHE CB C 34 41.410 41.410 40.025 1.385 19298 2586 1 6 . 1 1 34 34 PHE H H 34 9.411 9.411 9.174 0.237 19298 2587 1 6 . 1 1 35 35 VAL N N 35 127.050 127.050 127.422 -0.372 19298 2588 1 6 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.295 0.431 19298 2589 1 6 . 1 1 35 35 VAL C C 35 173.520 173.520 175.476 -1.956 19298 2590 1 6 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.876 -1.226 19298 2591 1 6 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.137 2.033 19298 2592 1 6 . 1 1 35 35 VAL H H 35 8.878 8.878 8.645 0.233 19298 2593 1 6 . 1 1 36 36 SER N N 36 120.260 120.260 121.650 -1.390 19298 2594 1 6 . 1 1 36 36 SER HA H 36 4.876 4.876 4.678 0.198 19298 2595 1 6 . 1 1 36 36 SER C C 36 173.170 173.170 174.715 -1.545 19298 2596 1 6 . 1 1 36 36 SER CA C 36 56.700 56.700 56.463 0.237 19298 2597 1 6 . 1 1 36 36 SER CB C 36 65.440 65.440 65.905 -0.465 19298 2598 1 6 . 1 1 36 36 SER H H 36 8.964 8.964 8.536 0.428 19298 2599 1 6 . 1 1 37 37 GLY N N 37 108.690 108.690 108.362 0.328 19298 2600 1 6 . 1 1 37 37 GLY C C 37 174.150 174.150 173.022 1.128 19298 2601 1 6 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.389 0.140 19298 2602 1 6 . 1 1 37 37 GLY H H 37 8.567 8.567 9.368 -0.801 19298 2603 1 6 . 1 1 38 38 LEU N N 38 118.640 118.640 120.453 -1.813 19298 2604 1 6 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.367 -0.466 19298 2605 1 6 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.129 0.281 19298 2606 1 6 . 1 1 38 38 LEU H H 38 7.426 7.426 7.205 0.221 19298 2607 1 6 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.452 0.098 19298 2608 1 6 . 1 1 39 39 PRO C C 39 177.540 177.540 178.063 -0.523 19298 2609 1 6 . 1 1 39 39 PRO CA C 39 62.130 62.130 61.987 0.143 19298 2610 1 6 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.881 -0.671 19298 2611 1 6 . 1 1 40 40 VAL N N 40 114.990 114.990 117.799 -2.809 19298 2612 1 6 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.824 -0.140 19298 2613 1 6 . 1 1 40 40 VAL C C 40 175.650 175.650 175.165 0.485 19298 2614 1 6 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.132 0.328 19298 2615 1 6 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.925 -0.195 19298 2616 1 6 . 1 1 40 40 VAL H H 40 8.311 8.311 8.646 -0.335 19298 2617 1 6 . 1 1 41 41 ASP N N 41 117.410 117.410 118.140 -0.730 19298 2618 1 6 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.722 -0.038 19298 2619 1 6 . 1 1 41 41 ASP C C 41 176.140 176.140 175.341 0.799 19298 2620 1 6 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.331 -0.531 19298 2621 1 6 . 1 1 41 41 ASP CB C 41 39.680 39.680 41.072 -1.392 19298 2622 1 6 . 1 1 41 41 ASP H H 41 7.809 7.809 7.669 0.140 19298 2623 1 6 . 1 1 42 42 ILE N N 42 119.180 119.180 122.382 -3.202 19298 2624 1 6 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.396 -0.312 19298 2625 1 6 . 1 1 42 42 ILE C C 42 173.940 173.940 175.684 -1.744 19298 2626 1 6 . 1 1 42 42 ILE CA C 42 60.770 60.770 60.442 0.328 19298 2627 1 6 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.048 0.692 19298 2628 1 6 . 1 1 42 42 ILE H H 42 7.098 7.098 7.682 -0.584 19298 2629 1 6 . 1 1 43 43 LYS N N 43 126.520 126.520 131.826 -5.306 19298 2630 1 6 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.957 0.036 19298 2631 1 6 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.519 1.081 19298 2632 1 6 . 1 1 43 43 LYS H H 43 8.963 8.963 9.758 -0.795 19298 2633 1 6 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.258 -0.158 19298 2634 1 6 . 1 1 44 44 PRO C C 44 180.110 180.110 177.977 2.133 19298 2635 1 6 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.378 1.312 19298 2636 1 6 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.872 -0.062 19298 2637 1 6 . 1 1 45 45 ARG N N 45 115.440 115.440 117.306 -1.866 19298 2638 1 6 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.180 0.063 19298 2639 1 6 . 1 1 45 45 ARG C C 45 176.200 176.200 178.153 -1.953 19298 2640 1 6 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.777 -0.227 19298 2641 1 6 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.293 1.127 19298 2642 1 6 . 1 1 45 45 ARG H H 45 8.922 8.922 8.651 0.271 19298 2643 1 6 . 1 1 46 46 GLU N N 46 119.720 119.720 121.004 -1.284 19298 2644 1 6 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.162 -0.124 19298 2645 1 6 . 1 1 46 46 GLU C C 46 178.820 178.820 179.266 -0.446 19298 2646 1 6 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.237 0.973 19298 2647 1 6 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.557 1.323 19298 2648 1 6 . 1 1 46 46 GLU H H 46 8.340 8.340 8.213 0.127 19298 2649 1 6 . 1 1 47 47 LEU N N 47 115.570 115.570 119.731 -4.161 19298 2650 1 6 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.194 0.179 19298 2651 1 6 . 1 1 47 47 LEU C C 47 178.380 178.380 178.730 -0.350 19298 2652 1 6 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.901 -0.381 19298 2653 1 6 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.718 -0.038 19298 2654 1 6 . 1 1 47 47 LEU H H 47 7.196 7.196 7.696 -0.500 19298 2655 1 6 . 1 1 48 48 TYR N N 48 119.670 119.670 120.340 -0.670 19298 2656 1 6 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.010 0.199 19298 2657 1 6 . 1 1 48 48 TYR C C 48 176.380 176.380 177.568 -1.188 19298 2658 1 6 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.913 -1.283 19298 2659 1 6 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.413 -1.783 19298 2660 1 6 . 1 1 48 48 TYR H H 48 6.816 6.816 7.555 -0.739 19298 2661 1 6 . 1 1 49 49 LEU N N 49 118.190 118.190 117.290 0.900 19298 2662 1 6 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.877 -0.675 19298 2663 1 6 . 1 1 49 49 LEU C C 49 179.030 179.030 178.463 0.567 19298 2664 1 6 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.322 0.418 19298 2665 1 6 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.989 1.240 19298 2666 1 6 . 1 1 49 49 LEU H H 49 8.129 8.129 8.128 0.001 19298 2667 1 6 . 1 1 50 50 LEU N N 50 117.130 117.130 118.282 -1.152 19298 2668 1 6 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.105 -0.395 19298 2669 1 6 . 1 1 50 50 LEU C C 50 176.420 176.420 177.780 -1.360 19298 2670 1 6 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.210 0.080 19298 2671 1 6 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.529 0.112 19298 2672 1 6 . 1 1 50 50 LEU H H 50 7.543 7.543 7.543 0.000 19298 2673 1 6 . 1 1 51 51 PHE N N 51 110.420 110.420 115.065 -4.645 19298 2674 1 6 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.397 0.263 19298 2675 1 6 . 1 1 51 51 PHE C C 51 175.110 175.110 178.112 -3.002 19298 2676 1 6 . 1 1 51 51 PHE CA C 51 59.640 59.640 60.072 -0.431 19298 2677 1 6 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.569 1.681 19298 2678 1 6 . 1 1 51 51 PHE H H 51 7.439 7.439 8.133 -0.694 19298 2679 1 6 . 1 1 52 52 ARG N N 52 120.680 120.680 120.393 0.287 19298 2680 1 6 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.112 -0.369 19298 2681 1 6 . 1 1 52 52 ARG CA C 52 59.920 59.920 61.004 -1.084 19298 2682 1 6 . 1 1 52 52 ARG H H 52 7.865 7.865 7.526 0.339 19298 2683 1 6 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.306 -0.104 19298 2684 1 6 . 1 1 53 53 PRO C C 53 176.600 176.600 176.787 -0.187 19298 2685 1 6 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.927 0.613 19298 2686 1 6 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.596 -0.636 19298 2687 1 6 . 1 1 54 54 PHE N N 54 117.470 117.470 119.852 -2.382 19298 2688 1 6 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.634 -0.378 19298 2689 1 6 . 1 1 54 54 PHE C C 54 175.500 175.500 175.114 0.386 19298 2690 1 6 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.856 2.344 19298 2691 1 6 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.184 0.497 19298 2692 1 6 . 1 1 54 54 PHE H H 54 7.943 7.943 7.716 0.227 19298 2693 1 6 . 1 1 55 55 LYS N N 55 126.460 126.460 125.522 0.938 19298 2694 1 6 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.261 -0.108 19298 2695 1 6 . 1 1 55 55 LYS C C 55 177.900 177.900 177.023 0.877 19298 2696 1 6 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.732 0.308 19298 2697 1 6 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.837 0.693 19298 2698 1 6 . 1 1 55 55 LYS H H 55 8.571 8.571 8.089 0.482 19298 2699 1 6 . 1 1 56 56 GLY N N 56 112.780 112.780 111.843 0.937 19298 2700 1 6 . 1 1 56 56 GLY C C 56 174.830 174.830 173.800 1.030 19298 2701 1 6 . 1 1 56 56 GLY CA C 56 45.150 45.150 45.029 0.121 19298 2702 1 6 . 1 1 56 56 GLY H H 56 9.045 9.045 8.391 0.654 19298 2703 1 6 . 1 1 57 57 TYR N N 57 121.700 121.700 123.706 -2.006 19298 2704 1 6 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.512 -0.436 19298 2705 1 6 . 1 1 57 57 TYR C C 57 175.260 175.260 175.171 0.089 19298 2706 1 6 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.060 0.590 19298 2707 1 6 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.839 0.351 19298 2708 1 6 . 1 1 57 57 TYR H H 57 7.560 7.560 7.875 -0.315 19298 2709 1 6 . 1 1 58 58 GLU N N 58 128.500 128.500 128.353 0.147 19298 2710 1 6 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.229 0.039 19298 2711 1 6 . 1 1 58 58 GLU C C 58 175.700 175.700 175.603 0.097 19298 2712 1 6 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.211 -0.871 19298 2713 1 6 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.218 0.512 19298 2714 1 6 . 1 1 58 58 GLU H H 58 8.356 8.356 8.408 -0.052 19298 2715 1 6 . 1 1 59 59 GLY N N 59 104.920 104.920 106.563 -1.643 19298 2716 1 6 . 1 1 59 59 GLY C C 59 170.310 170.310 172.022 -1.712 19298 2717 1 6 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.871 0.659 19298 2718 1 6 . 1 1 59 59 GLY H H 59 6.411 6.411 7.320 -0.909 19298 2719 1 6 . 1 1 60 60 SER N N 60 110.020 110.020 115.100 -5.080 19298 2720 1 6 . 1 1 60 60 SER HA H 60 5.468 5.468 5.034 0.434 19298 2721 1 6 . 1 1 60 60 SER C C 60 172.470 172.470 173.350 -0.880 19298 2722 1 6 . 1 1 60 60 SER CA C 60 57.170 57.170 57.010 0.160 19298 2723 1 6 . 1 1 60 60 SER CB C 60 66.610 66.610 66.090 0.520 19298 2724 1 6 . 1 1 60 60 SER H H 60 8.280 8.280 8.323 -0.043 19298 2725 1 6 . 1 1 61 61 LEU N N 61 118.490 118.490 126.371 -7.881 19298 2726 1 6 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.857 -0.114 19298 2727 1 6 . 1 1 61 61 LEU C C 61 174.600 174.600 174.665 -0.065 19298 2728 1 6 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.886 0.794 19298 2729 1 6 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.376 1.004 19298 2730 1 6 . 1 1 61 61 LEU H H 61 8.953 8.953 9.014 -0.061 19298 2731 1 6 . 1 1 62 62 ILE N N 62 120.760 120.760 127.021 -6.261 19298 2732 1 6 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.723 0.194 19298 2733 1 6 . 1 1 62 62 ILE C C 62 175.600 175.600 175.301 0.299 19298 2734 1 6 . 1 1 62 62 ILE CA C 62 59.490 59.490 60.462 -0.973 19298 2735 1 6 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.898 1.022 19298 2736 1 6 . 1 1 62 62 ILE H H 62 8.639 8.639 8.569 0.070 19298 2737 1 6 . 1 1 63 63 LYS N N 63 127.240 127.240 128.787 -1.547 19298 2738 1 6 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.729 -0.027 19298 2739 1 6 . 1 1 63 63 LYS C C 63 174.700 174.700 174.405 0.295 19298 2740 1 6 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.027 0.523 19298 2741 1 6 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.663 0.827 19298 2742 1 6 . 1 1 63 63 LYS H H 63 9.145 9.145 9.082 0.063 19298 2743 1 6 . 1 1 64 64 LEU N N 64 124.700 124.700 127.200 -2.500 19298 2744 1 6 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.485 0.217 19298 2745 1 6 . 1 1 64 64 LEU C C 64 177.470 177.470 176.006 1.464 19298 2746 1 6 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.152 -0.562 19298 2747 1 6 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.989 0.431 19298 2748 1 6 . 1 1 64 64 LEU H H 64 8.648 8.648 8.746 -0.098 19298 2749 1 6 . 1 1 65 65 THR N N 65 116.860 116.860 123.034 -6.174 19298 2750 1 6 . 1 1 65 65 THR HA H 65 4.521 4.521 4.523 -0.002 19298 2751 1 6 . 1 1 65 65 THR C C 65 174.160 174.160 174.598 -0.438 19298 2752 1 6 . 1 1 65 65 THR CA C 65 60.990 60.990 61.171 -0.181 19298 2753 1 6 . 1 1 65 65 THR CB C 65 70.630 70.630 70.890 -0.260 19298 2754 1 6 . 1 1 65 65 THR H H 65 8.330 8.330 7.608 0.722 19298 2755 1 6 . 1 1 66 66 ALA N N 66 127.310 127.310 127.915 -0.605 19298 2756 1 6 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.131 0.039 19298 2757 1 6 . 1 1 66 66 ALA C C 66 177.060 177.060 178.451 -1.391 19298 2758 1 6 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.727 -1.137 19298 2759 1 6 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.618 -0.558 19298 2760 1 6 . 1 1 66 66 ALA H H 66 8.834 8.834 8.684 0.150 19298 2761 1 6 . 1 1 67 67 ARG N N 67 113.660 113.660 115.099 -1.439 19298 2762 1 6 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.450 -0.386 19298 2763 1 6 . 1 1 67 67 ARG C C 67 175.400 175.400 174.751 0.649 19298 2764 1 6 . 1 1 67 67 ARG CA C 67 57.310 57.310 55.956 1.354 19298 2765 1 6 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.262 -1.492 19298 2766 1 6 . 1 1 67 67 ARG H H 67 8.335 8.335 8.261 0.074 19298 2767 1 6 . 1 1 68 68 GLN N N 68 118.790 118.790 116.597 2.193 19298 2768 1 6 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.840 -0.025 19298 2769 1 6 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.543 -0.263 19298 2770 1 6 . 1 1 68 68 GLN H H 68 7.832 7.832 7.494 0.338 19298 2771 1 6 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.696 0.150 19298 2772 1 6 . 1 1 69 69 PRO C C 69 175.480 175.480 176.728 -1.248 19298 2773 1 6 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.595 0.305 19298 2774 1 6 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.569 0.881 19298 2775 1 6 . 1 1 70 70 VAL N N 70 117.700 117.700 121.101 -3.401 19298 2776 1 6 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.437 0.105 19298 2777 1 6 . 1 1 70 70 VAL C C 70 174.470 174.470 175.167 -0.697 19298 2778 1 6 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.294 -0.254 19298 2779 1 6 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.254 1.666 19298 2780 1 6 . 1 1 70 70 VAL H H 70 8.722 8.722 8.665 0.057 19298 2781 1 6 . 1 1 71 71 GLY N N 71 107.930 107.930 110.448 -2.518 19298 2782 1 6 . 1 1 71 71 GLY C C 71 171.000 171.000 172.727 -1.727 19298 2783 1 6 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.688 0.302 19298 2784 1 6 . 1 1 71 71 GLY H H 71 8.716 8.716 8.609 0.107 19298 2785 1 6 . 1 1 72 72 PHE N N 72 119.400 119.400 125.974 -6.574 19298 2786 1 6 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.335 0.300 19298 2787 1 6 . 1 1 72 72 PHE C C 72 175.350 175.350 175.809 -0.459 19298 2788 1 6 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.489 -0.659 19298 2789 1 6 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.587 2.523 19298 2790 1 6 . 1 1 72 72 PHE H H 72 8.934 8.934 9.358 -0.424 19298 2791 1 6 . 1 1 73 73 VAL N N 73 122.000 122.000 125.797 -3.797 19298 2792 1 6 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.519 0.044 19298 2793 1 6 . 1 1 73 73 VAL C C 73 172.930 172.930 175.080 -2.150 19298 2794 1 6 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.562 -0.802 19298 2795 1 6 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.963 1.607 19298 2796 1 6 . 1 1 73 73 VAL H H 73 8.934 8.934 9.258 -0.324 19298 2797 1 6 . 1 1 74 74 ILE N N 74 128.000 128.000 127.921 0.079 19298 2798 1 6 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.962 -0.095 19298 2799 1 6 . 1 1 74 74 ILE C C 74 173.700 173.700 174.145 -0.445 19298 2800 1 6 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.812 1.068 19298 2801 1 6 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.689 -6.289 19298 2802 1 6 . 1 1 74 74 ILE H H 74 8.702 8.702 8.483 0.219 19298 2803 1 6 . 1 1 75 75 PHE N N 75 125.200 125.200 128.344 -3.144 19298 2804 1 6 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.250 -0.103 19298 2805 1 6 . 1 1 75 75 PHE C C 75 175.880 175.880 176.090 -0.210 19298 2806 1 6 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.004 -0.784 19298 2807 1 6 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.966 2.714 19298 2808 1 6 . 1 1 75 75 PHE H H 75 8.200 8.200 9.601 -1.401 19298 2809 1 6 . 1 1 76 76 ASP N N 76 119.150 119.150 121.099 -1.949 19298 2810 1 6 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.467 -0.190 19298 2811 1 6 . 1 1 76 76 ASP C C 76 176.020 176.020 175.542 0.478 19298 2812 1 6 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.409 -0.829 19298 2813 1 6 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.618 -1.098 19298 2814 1 6 . 1 1 76 76 ASP H H 76 9.400 9.400 8.880 0.520 19298 2815 1 6 . 1 1 77 77 SER N N 77 111.280 111.280 112.708 -1.428 19298 2816 1 6 . 1 1 77 77 SER HA H 77 4.683 4.683 4.777 -0.094 19298 2817 1 6 . 1 1 77 77 SER C C 77 173.670 173.670 175.074 -1.404 19298 2818 1 6 . 1 1 77 77 SER CA C 77 56.620 56.620 56.956 -0.336 19298 2819 1 6 . 1 1 77 77 SER CB C 77 66.470 66.470 66.170 0.300 19298 2820 1 6 . 1 1 77 77 SER H H 77 7.804 7.804 8.222 -0.418 19298 2821 1 6 . 1 1 78 78 ARG N N 78 125.240 125.240 125.876 -0.636 19298 2822 1 6 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.316 -0.286 19298 2823 1 6 . 1 1 78 78 ARG C C 78 177.710 177.710 177.120 0.590 19298 2824 1 6 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.971 0.899 19298 2825 1 6 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.572 0.228 19298 2826 1 6 . 1 1 78 78 ARG H H 78 9.348 9.348 8.946 0.402 19298 2827 1 6 . 1 1 79 79 ALA N N 79 120.700 120.700 120.964 -0.264 19298 2828 1 6 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.441 -0.241 19298 2829 1 6 . 1 1 79 79 ALA C C 79 181.360 181.360 179.426 1.934 19298 2830 1 6 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.915 0.365 19298 2831 1 6 . 1 1 79 79 ALA CB C 79 18.150 18.150 17.874 0.276 19298 2832 1 6 . 1 1 79 79 ALA H H 79 8.660 8.660 8.386 0.274 19298 2833 1 6 . 1 1 80 80 GLY N N 80 107.500 107.500 106.518 0.982 19298 2834 1 6 . 1 1 80 80 GLY C C 80 175.710 175.710 175.551 0.159 19298 2835 1 6 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.587 1.204 19298 2836 1 6 . 1 1 80 80 GLY H H 80 8.161 8.161 7.901 0.260 19298 2837 1 6 . 1 1 81 81 ALA N N 81 124.650 124.650 125.176 -0.526 19298 2838 1 6 . 1 1 81 81 ALA HA H 81 2.576 2.576 2.792 -0.216 19298 2839 1 6 . 1 1 81 81 ALA C C 81 178.570 178.570 178.884 -0.314 19298 2840 1 6 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.697 -0.477 19298 2841 1 6 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.358 -0.178 19298 2842 1 6 . 1 1 81 81 ALA H H 81 7.298 7.298 7.547 -0.249 19298 2843 1 6 . 1 1 82 82 GLU N N 82 118.890 118.890 117.645 1.245 19298 2844 1 6 . 1 1 82 82 GLU HA H 82 3.731 3.731 4.010 -0.279 19298 2845 1 6 . 1 1 82 82 GLU C C 82 177.800 177.800 178.710 -0.910 19298 2846 1 6 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.359 0.201 19298 2847 1 6 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.439 0.421 19298 2848 1 6 . 1 1 82 82 GLU H H 82 8.930 8.930 8.914 0.016 19298 2849 1 6 . 1 1 83 83 ALA N N 83 119.410 119.410 121.495 -2.085 19298 2850 1 6 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.264 -0.147 19298 2851 1 6 . 1 1 83 83 ALA C C 83 180.810 180.810 179.484 1.326 19298 2852 1 6 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.248 0.642 19298 2853 1 6 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.254 -0.104 19298 2854 1 6 . 1 1 83 83 ALA H H 83 7.572 7.572 7.509 0.063 19298 2855 1 6 . 1 1 84 84 ALA N N 84 120.280 120.280 121.903 -1.623 19298 2856 1 6 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.353 -1.213 19298 2857 1 6 . 1 1 84 84 ALA C C 84 178.010 178.010 179.355 -1.345 19298 2858 1 6 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.370 -0.640 19298 2859 1 6 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.669 0.041 19298 2860 1 6 . 1 1 84 84 ALA H H 84 6.950 6.950 8.149 -1.200 19298 2861 1 6 . 1 1 85 85 LYS N N 85 118.040 118.040 117.913 0.127 19298 2862 1 6 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.826 -0.238 19298 2863 1 6 . 1 1 85 85 LYS C C 85 177.700 177.700 178.627 -0.927 19298 2864 1 6 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.005 0.555 19298 2865 1 6 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.593 0.497 19298 2866 1 6 . 1 1 85 85 LYS H H 85 8.042 8.042 8.354 -0.312 19298 2867 1 6 . 1 1 86 86 ASN N N 86 114.630 114.630 118.056 -3.426 19298 2868 1 6 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.439 0.034 19298 2869 1 6 . 1 1 86 86 ASN C C 86 177.320 177.320 176.838 0.482 19298 2870 1 6 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.855 -0.785 19298 2871 1 6 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.397 -0.407 19298 2872 1 6 . 1 1 86 86 ASN H H 86 8.087 8.087 7.533 0.554 19298 2873 1 6 . 1 1 87 87 ALA N N 87 120.200 120.200 120.908 -0.708 19298 2874 1 6 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.248 0.059 19298 2875 1 6 . 1 1 87 87 ALA C C 87 179.630 179.630 178.700 0.930 19298 2876 1 6 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.303 -0.003 19298 2877 1 6 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.440 0.740 19298 2878 1 6 . 1 1 87 87 ALA H H 87 7.557 7.557 7.504 0.053 19298 2879 1 6 . 1 1 88 88 LEU N N 88 114.210 114.210 116.994 -2.784 19298 2880 1 6 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.333 0.080 19298 2881 1 6 . 1 1 88 88 LEU C C 88 176.580 176.580 176.267 0.313 19298 2882 1 6 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.278 0.132 19298 2883 1 6 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.056 2.274 19298 2884 1 6 . 1 1 88 88 LEU H H 88 7.561 7.561 8.180 -0.619 19298 2885 1 6 . 1 1 89 89 ASN N N 89 117.970 117.970 117.142 0.828 19298 2886 1 6 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.632 -0.376 19298 2887 1 6 . 1 1 89 89 ASN C C 89 177.700 177.700 176.296 1.404 19298 2888 1 6 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.572 2.418 19298 2889 1 6 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.233 0.337 19298 2890 1 6 . 1 1 89 89 ASN H H 89 7.550 7.550 7.517 0.033 19298 2891 1 6 . 1 1 90 90 GLY N N 90 112.220 112.220 112.349 -0.129 19298 2892 1 6 . 1 1 90 90 GLY C C 90 174.360 174.360 173.835 0.525 19298 2893 1 6 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.770 0.990 19298 2894 1 6 . 1 1 90 90 GLY H H 90 8.734 8.734 9.066 -0.332 19298 2895 1 6 . 1 1 91 91 ILE N N 91 115.840 115.840 122.170 -6.330 19298 2896 1 6 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.195 0.281 19298 2897 1 6 . 1 1 91 91 ILE C C 91 175.940 175.940 174.625 1.315 19298 2898 1 6 . 1 1 91 91 ILE CA C 91 60.520 60.520 60.234 0.285 19298 2899 1 6 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.059 -0.039 19298 2900 1 6 . 1 1 91 91 ILE H H 91 7.518 7.518 7.232 0.286 19298 2901 1 6 . 1 1 92 92 ARG N N 92 120.160 120.160 127.751 -7.591 19298 2902 1 6 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.258 0.219 19298 2903 1 6 . 1 1 92 92 ARG C C 92 175.840 175.840 176.305 -0.465 19298 2904 1 6 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.999 -0.339 19298 2905 1 6 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.514 0.036 19298 2906 1 6 . 1 1 92 92 ARG H H 92 8.461 8.461 8.762 -0.301 19298 2907 1 6 . 1 1 93 93 PHE N N 93 126.780 126.780 125.659 1.121 19298 2908 1 6 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.256 -0.199 19298 2909 1 6 . 1 1 93 93 PHE C C 93 171.620 171.620 175.452 -3.832 19298 2910 1 6 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.298 0.712 19298 2911 1 6 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.739 0.742 19298 2912 1 6 . 1 1 93 93 PHE H H 93 8.443 8.443 8.718 -0.275 19298 2913 1 6 . 1 1 94 94 ASP N N 94 110.650 110.650 117.095 -6.445 19298 2914 1 6 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.991 -0.122 19298 2915 1 6 . 1 1 94 94 ASP CA C 94 48.530 48.530 52.113 -3.583 19298 2916 1 6 . 1 1 94 94 ASP H H 94 7.860 7.860 7.946 -0.086 19298 2917 1 6 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.228 -0.381 19298 2918 1 6 . 1 1 95 95 PRO C C 95 177.650 177.650 178.082 -0.432 19298 2919 1 6 . 1 1 95 95 PRO CA C 95 63.290 63.290 65.111 -1.821 19298 2920 1 6 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.127 -0.036 19298 2921 1 6 . 1 1 96 96 GLU N N 96 115.270 115.270 114.462 0.808 19298 2922 1 6 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.180 0.045 19298 2923 1 6 . 1 1 96 96 GLU C C 96 175.310 175.310 176.578 -1.268 19298 2924 1 6 . 1 1 96 96 GLU CA C 96 56.170 56.170 57.283 -1.113 19298 2925 1 6 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.397 0.603 19298 2926 1 6 . 1 1 96 96 GLU H H 96 7.944 7.944 8.686 -0.742 19298 2927 1 6 . 1 1 97 97 ASN N N 97 121.610 121.610 118.478 3.132 19298 2928 1 6 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.999 0.203 19298 2929 1 6 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.755 0.105 19298 2930 1 6 . 1 1 97 97 ASN H H 97 8.190 8.190 7.606 0.584 19298 2931 1 6 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.294 -0.125 19298 2932 1 6 . 1 1 98 98 PRO C C 98 176.940 176.940 176.233 0.707 19298 2933 1 6 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.969 -0.679 19298 2934 1 6 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.929 0.281 19298 2935 1 6 . 1 1 99 99 GLN N N 99 120.230 120.230 120.990 -0.760 19298 2936 1 6 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.242 -0.059 19298 2937 1 6 . 1 1 99 99 GLN C C 99 176.660 176.660 174.660 2.000 19298 2938 1 6 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.455 1.625 19298 2939 1 6 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.569 0.421 19298 2940 1 6 . 1 1 99 99 GLN H H 99 8.174 8.174 7.823 0.351 19298 2941 1 6 . 1 1 100 100 THR N N 100 117.080 117.080 116.323 0.757 19298 2942 1 6 . 1 1 100 100 THR HA H 100 4.784 4.784 4.516 0.268 19298 2943 1 6 . 1 1 100 100 THR C C 100 174.540 174.540 174.313 0.227 19298 2944 1 6 . 1 1 100 100 THR CA C 100 59.870 59.870 59.911 -0.042 19298 2945 1 6 . 1 1 100 100 THR CB C 100 71.920 71.920 70.586 1.334 19298 2946 1 6 . 1 1 100 100 THR H H 100 8.241 8.241 8.218 0.023 19298 2947 1 6 . 1 1 101 101 LEU N N 101 120.720 120.720 126.738 -6.018 19298 2948 1 6 . 1 1 101 101 LEU HA H 101 4.639 4.639 4.945 -0.306 19298 2949 1 6 . 1 1 101 101 LEU C C 101 177.930 177.930 175.905 2.025 19298 2950 1 6 . 1 1 101 101 LEU CA C 101 54.660 54.660 55.058 -0.398 19298 2951 1 6 . 1 1 101 101 LEU CB C 101 44.480 44.480 41.800 2.680 19298 2952 1 6 . 1 1 101 101 LEU H H 101 8.809 8.809 9.212 -0.403 19298 2953 1 6 . 1 1 102 102 ARG N N 102 124.040 124.040 125.816 -1.776 19298 2954 1 6 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.573 0.398 19298 2955 1 6 . 1 1 102 102 ARG C C 102 174.500 174.500 173.244 1.256 19298 2956 1 6 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.148 0.562 19298 2957 1 6 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.129 -0.129 19298 2958 1 6 . 1 1 102 102 ARG H H 102 8.327 8.327 8.253 0.074 19298 2959 1 6 . 1 1 103 103 LEU N N 103 125.780 125.780 128.867 -3.087 19298 2960 1 6 . 1 1 103 103 LEU HA H 103 5.370 5.370 5.039 0.331 19298 2961 1 6 . 1 1 103 103 LEU C C 103 174.660 174.660 175.832 -1.172 19298 2962 1 6 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.019 0.641 19298 2963 1 6 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.375 1.405 19298 2964 1 6 . 1 1 103 103 LEU H H 103 8.825 8.825 8.617 0.208 19298 2965 1 6 . 1 1 104 104 GLU N N 104 119.100 119.100 119.863 -0.763 19298 2966 1 6 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.336 0.173 19298 2967 1 6 . 1 1 104 104 GLU C C 104 175.110 175.110 175.115 -0.005 19298 2968 1 6 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.533 -0.093 19298 2969 1 6 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.742 0.278 19298 2970 1 6 . 1 1 104 104 GLU H H 104 8.348 8.348 7.679 0.669 19298 2971 1 6 . 1 1 105 105 PHE N N 105 121.070 121.070 119.251 1.819 19298 2972 1 6 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.612 -0.001 19298 2973 1 6 . 1 1 105 105 PHE C C 105 177.060 177.060 176.795 0.265 19298 2974 1 6 . 1 1 105 105 PHE CA C 105 61.190 61.190 58.858 2.332 19298 2975 1 6 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.794 -0.614 19298 2976 1 6 . 1 1 105 105 PHE H H 105 9.227 9.227 8.630 0.597 19298 2977 1 6 . 1 1 106 106 ALA N N 106 124.890 124.890 127.200 -2.310 19298 2978 1 6 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.686 -0.261 19298 2979 1 6 . 1 1 106 106 ALA C C 106 175.860 175.860 177.006 -1.146 19298 2980 1 6 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.026 -0.746 19298 2981 1 6 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.148 -0.398 19298 2982 1 6 . 1 1 106 106 ALA H H 106 9.567 9.567 8.841 0.726 19298 2983 1 6 . 1 1 107 107 LYS N N 107 117.510 117.510 120.762 -3.252 19298 2984 1 6 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.193 -0.021 19298 2985 1 6 . 1 1 107 107 LYS C C 107 176.060 176.060 175.525 0.535 19298 2986 1 6 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.230 -0.079 19298 2987 1 6 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.413 0.087 19298 2988 1 6 . 1 1 107 107 LYS H H 107 8.581 8.581 8.615 -0.034 19298 2989 1 6 . 1 1 108 108 ALA N N 108 118.700 118.700 121.407 -2.707 19298 2990 1 6 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.475 -0.101 19298 2991 1 6 . 1 1 108 108 ALA C C 108 176.650 176.650 176.133 0.517 19298 2992 1 6 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.451 -0.581 19298 2993 1 6 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.060 0.460 19298 2994 1 6 . 1 1 108 108 ALA H H 108 7.731 7.731 7.613 0.118 19298 2995 1 6 . 1 1 109 109 ASN N N 109 116.530 116.530 120.327 -3.797 19298 2996 1 6 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.784 0.189 19298 2997 1 6 . 1 1 109 109 ASN C C 109 175.940 175.940 174.646 1.294 19298 2998 1 6 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.443 -0.313 19298 2999 1 6 . 1 1 109 109 ASN CB C 109 38.670 38.670 39.064 -0.394 19298 3000 1 6 . 1 1 109 109 ASN H H 109 8.936 8.936 8.417 0.519 19298 3001 1 6 . 1 1 110 110 THR N N 110 116.260 116.260 118.396 -2.136 19298 3002 1 6 . 1 1 110 110 THR HA H 110 4.153 4.153 4.490 -0.337 19298 3003 1 6 . 1 1 110 110 THR C C 110 173.240 173.240 172.975 0.265 19298 3004 1 6 . 1 1 110 110 THR CA C 110 61.990 61.990 60.880 1.110 19298 3005 1 6 . 1 1 110 110 THR CB C 110 69.830 69.830 70.914 -1.084 19298 3006 1 6 . 1 1 110 110 THR H H 110 7.437 7.437 8.767 -1.330 19298 3007 1 6 . 1 1 111 111 LYS N N 111 124.500 124.500 124.953 -0.453 19298 3008 1 6 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.561 -0.314 19298 3009 1 6 . 1 1 111 111 LYS C C 111 176.140 176.140 176.289 -0.149 19298 3010 1 6 . 1 1 111 111 LYS CA C 111 55.930 55.930 54.977 0.953 19298 3011 1 6 . 1 1 111 111 LYS CB C 111 32.700 32.700 33.749 -1.049 19298 3012 1 6 . 1 1 111 111 LYS H H 111 8.248 8.248 8.371 -0.123 19298 3013 1 6 . 1 1 112 112 MET N N 112 122.000 122.000 119.575 2.425 19298 3014 1 6 . 1 1 112 112 MET HA H 112 4.408 4.408 4.421 -0.013 19298 3015 1 6 . 1 1 112 112 MET C C 112 175.550 175.550 176.703 -1.153 19298 3016 1 6 . 1 1 112 112 MET CA C 112 54.780 54.780 55.320 -0.540 19298 3017 1 6 . 1 1 112 112 MET CB C 112 33.280 33.280 32.450 0.830 19298 3018 1 6 . 1 1 112 112 MET H H 112 8.290 8.290 8.398 -0.108 19298 3019 1 6 . 1 1 113 113 ALA N N 113 125.150 125.150 123.684 1.466 19298 3020 1 6 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.371 -0.115 19298 3021 1 6 . 1 1 113 113 ALA C C 113 177.580 177.580 176.631 0.949 19298 3022 1 6 . 1 1 113 113 ALA CA C 113 52.470 52.470 52.510 -0.040 19298 3023 1 6 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.866 1.274 19298 3024 1 6 . 1 1 113 113 ALA H H 113 8.213 8.213 7.749 0.464 19298 3025 1 6 . 1 1 114 114 LYS N N 114 120.740 120.740 124.091 -3.351 19298 3026 1 6 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.298 -0.042 19298 3027 1 6 . 1 1 114 114 LYS C C 114 176.790 176.790 175.225 1.565 19298 3028 1 6 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.293 0.047 19298 3029 1 6 . 1 1 114 114 LYS CB C 114 32.870 32.870 34.270 -1.400 19298 3030 1 6 . 1 1 114 114 LYS H H 114 8.261 8.261 8.079 0.182 19298 3031 1 6 . 1 1 115 115 SER N N 115 116.780 116.780 115.621 1.159 19298 3032 1 6 . 1 1 115 115 SER HA H 115 4.393 4.393 4.249 0.144 19298 3033 1 6 . 1 1 115 115 SER C C 115 174.710 174.710 173.590 1.120 19298 3034 1 6 . 1 1 115 115 SER CA C 115 58.410 58.410 58.748 -0.338 19298 3035 1 6 . 1 1 115 115 SER CB C 115 63.870 63.870 62.339 1.531 19298 3036 1 6 . 1 1 115 115 SER H H 115 8.268 8.268 8.514 -0.246 19298 3037 1 6 . 1 1 116 116 LYS N N 116 123.210 123.210 121.289 1.921 19298 3038 1 6 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.210 0.081 19298 3039 1 6 . 1 1 116 116 LYS C C 116 176.400 176.400 176.677 -0.277 19298 3040 1 6 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.270 0.061 19298 3041 1 6 . 1 1 116 116 LYS CB C 116 32.710 32.710 32.279 0.431 19298 3042 1 6 . 1 1 116 116 LYS H H 116 8.346 8.346 8.056 0.290 19298 3043 1 6 . 1 1 117 117 LEU N N 117 122.470 122.470 129.562 -7.092 19298 3044 1 6 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.385 -0.109 19298 3045 1 6 . 1 1 117 117 LEU C C 117 177.080 177.080 175.951 1.129 19298 3046 1 6 . 1 1 117 117 LEU CA C 117 55.050 55.050 54.903 0.147 19298 3047 1 6 . 1 1 117 117 LEU CB C 117 42.210 42.210 41.542 0.668 19298 3048 1 6 . 1 1 117 117 LEU H H 117 8.093 8.093 8.658 -0.565 19298 3049 1 7 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.471 -0.105 19298 3050 1 7 . 1 1 27 27 GLU C C 27 176.230 176.230 174.479 1.751 19298 3051 1 7 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.768 -0.528 19298 3052 1 7 . 1 1 27 27 GLU CB C 27 30.720 30.720 31.804 -1.084 19298 3053 1 7 . 1 1 28 28 GLU N N 28 122.500 122.500 124.728 -2.228 19298 3054 1 7 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.575 -0.313 19298 3055 1 7 . 1 1 28 28 GLU C C 28 175.860 175.860 175.135 0.725 19298 3056 1 7 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.413 -0.053 19298 3057 1 7 . 1 1 28 28 GLU CB C 28 30.510 30.510 30.547 -0.037 19298 3058 1 7 . 1 1 28 28 GLU H H 28 8.521 8.521 8.782 -0.261 19298 3059 1 7 . 1 1 29 29 GLU N N 29 123.290 123.290 124.214 -0.924 19298 3060 1 7 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.649 -0.418 19298 3061 1 7 . 1 1 29 29 GLU C C 29 176.740 176.740 175.596 1.144 19298 3062 1 7 . 1 1 29 29 GLU CA C 29 56.360 56.360 54.689 1.671 19298 3063 1 7 . 1 1 29 29 GLU CB C 29 30.840 30.840 32.831 -1.991 19298 3064 1 7 . 1 1 29 29 GLU H H 29 8.521 8.521 8.471 0.050 19298 3065 1 7 . 1 1 30 30 VAL N N 30 125.640 125.640 122.251 3.389 19298 3066 1 7 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.061 -0.254 19298 3067 1 7 . 1 1 30 30 VAL C C 30 175.110 175.110 175.512 -0.402 19298 3068 1 7 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.628 1.452 19298 3069 1 7 . 1 1 30 30 VAL CB C 30 31.330 31.330 32.185 -0.855 19298 3070 1 7 . 1 1 30 30 VAL H H 30 8.715 8.715 8.470 0.245 19298 3071 1 7 . 1 1 31 31 ARG N N 31 124.730 124.730 121.886 2.844 19298 3072 1 7 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.668 0.006 19298 3073 1 7 . 1 1 31 31 ARG C C 31 172.600 172.600 175.159 -2.559 19298 3074 1 7 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.665 -1.085 19298 3075 1 7 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.242 -1.492 19298 3076 1 7 . 1 1 31 31 ARG H H 31 9.378 9.378 8.530 0.848 19298 3077 1 7 . 1 1 32 32 THR N N 32 115.380 115.380 115.146 0.234 19298 3078 1 7 . 1 1 32 32 THR HA H 32 5.471 5.471 5.450 0.021 19298 3079 1 7 . 1 1 32 32 THR C C 32 173.810 173.810 173.440 0.370 19298 3080 1 7 . 1 1 32 32 THR CA C 32 61.250 61.250 61.866 -0.616 19298 3081 1 7 . 1 1 32 32 THR CB C 32 71.360 71.360 71.721 -0.361 19298 3082 1 7 . 1 1 32 32 THR H H 32 7.144 7.144 7.557 -0.413 19298 3083 1 7 . 1 1 33 33 LEU N N 33 124.600 124.600 125.548 -0.948 19298 3084 1 7 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.167 -0.240 19298 3085 1 7 . 1 1 33 33 LEU C C 33 174.960 174.960 175.202 -0.242 19298 3086 1 7 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.644 -0.754 19298 3087 1 7 . 1 1 33 33 LEU CB C 33 44.910 44.910 45.513 -0.603 19298 3088 1 7 . 1 1 33 33 LEU H H 33 9.701 9.701 9.406 0.295 19298 3089 1 7 . 1 1 34 34 PHE N N 34 122.600 122.600 119.883 2.717 19298 3090 1 7 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.213 -0.124 19298 3091 1 7 . 1 1 34 34 PHE C C 34 174.530 174.530 174.184 0.346 19298 3092 1 7 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.026 0.714 19298 3093 1 7 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.574 1.836 19298 3094 1 7 . 1 1 34 34 PHE H H 34 9.411 9.411 9.260 0.151 19298 3095 1 7 . 1 1 35 35 VAL N N 35 127.050 127.050 128.307 -1.257 19298 3096 1 7 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.612 0.114 19298 3097 1 7 . 1 1 35 35 VAL C C 35 173.520 173.520 175.591 -2.071 19298 3098 1 7 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.852 -1.202 19298 3099 1 7 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.079 2.091 19298 3100 1 7 . 1 1 35 35 VAL H H 35 8.878 8.878 8.797 0.081 19298 3101 1 7 . 1 1 36 36 SER N N 36 120.260 120.260 122.240 -1.980 19298 3102 1 7 . 1 1 36 36 SER HA H 36 4.876 4.876 4.712 0.164 19298 3103 1 7 . 1 1 36 36 SER C C 36 173.170 173.170 174.672 -1.502 19298 3104 1 7 . 1 1 36 36 SER CA C 36 56.700 56.700 56.522 0.178 19298 3105 1 7 . 1 1 36 36 SER CB C 36 65.440 65.440 65.833 -0.393 19298 3106 1 7 . 1 1 36 36 SER H H 36 8.964 8.964 9.117 -0.153 19298 3107 1 7 . 1 1 37 37 GLY N N 37 108.690 108.690 108.317 0.373 19298 3108 1 7 . 1 1 37 37 GLY C C 37 174.150 174.150 173.419 0.731 19298 3109 1 7 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.164 0.366 19298 3110 1 7 . 1 1 37 37 GLY H H 37 8.567 8.567 9.154 -0.587 19298 3111 1 7 . 1 1 38 38 LEU N N 38 118.640 118.640 122.074 -3.434 19298 3112 1 7 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.038 -0.137 19298 3113 1 7 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.967 -0.557 19298 3114 1 7 . 1 1 38 38 LEU H H 38 7.426 7.426 7.340 0.086 19298 3115 1 7 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.430 0.120 19298 3116 1 7 . 1 1 39 39 PRO C C 39 177.540 177.540 177.771 -0.231 19298 3117 1 7 . 1 1 39 39 PRO CA C 39 62.130 62.130 61.930 0.200 19298 3118 1 7 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.750 -0.540 19298 3119 1 7 . 1 1 40 40 VAL N N 40 114.990 114.990 119.161 -4.171 19298 3120 1 7 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.879 -0.195 19298 3121 1 7 . 1 1 40 40 VAL C C 40 175.650 175.650 175.989 -0.339 19298 3122 1 7 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.943 0.517 19298 3123 1 7 . 1 1 40 40 VAL CB C 40 31.730 31.730 32.016 -0.286 19298 3124 1 7 . 1 1 40 40 VAL H H 40 8.311 8.311 8.544 -0.233 19298 3125 1 7 . 1 1 41 41 ASP N N 41 117.410 117.410 117.760 -0.350 19298 3126 1 7 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.728 -0.044 19298 3127 1 7 . 1 1 41 41 ASP C C 41 176.140 176.140 175.119 1.021 19298 3128 1 7 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.955 -1.155 19298 3129 1 7 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.734 -1.054 19298 3130 1 7 . 1 1 41 41 ASP H H 41 7.809 7.809 8.020 -0.211 19298 3131 1 7 . 1 1 42 42 ILE N N 42 119.180 119.180 122.561 -3.381 19298 3132 1 7 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.417 -0.333 19298 3133 1 7 . 1 1 42 42 ILE C C 42 173.940 173.940 176.062 -2.122 19298 3134 1 7 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.556 -0.786 19298 3135 1 7 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.723 1.017 19298 3136 1 7 . 1 1 42 42 ILE H H 42 7.098 7.098 7.622 -0.524 19298 3137 1 7 . 1 1 43 43 LYS N N 43 126.520 126.520 130.901 -4.381 19298 3138 1 7 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.821 0.172 19298 3139 1 7 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.738 0.862 19298 3140 1 7 . 1 1 43 43 LYS H H 43 8.963 8.963 9.014 -0.051 19298 3141 1 7 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.318 -0.218 19298 3142 1 7 . 1 1 44 44 PRO C C 44 180.110 180.110 177.924 2.186 19298 3143 1 7 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.618 1.073 19298 3144 1 7 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.991 -0.181 19298 3145 1 7 . 1 1 45 45 ARG N N 45 115.440 115.440 116.679 -1.239 19298 3146 1 7 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.386 -0.143 19298 3147 1 7 . 1 1 45 45 ARG C C 45 176.200 176.200 177.783 -1.583 19298 3148 1 7 . 1 1 45 45 ARG CA C 45 58.550 58.550 57.928 0.621 19298 3149 1 7 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.650 1.770 19298 3150 1 7 . 1 1 45 45 ARG H H 45 8.922 8.922 8.692 0.230 19298 3151 1 7 . 1 1 46 46 GLU N N 46 119.720 119.720 121.918 -2.198 19298 3152 1 7 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.227 -0.189 19298 3153 1 7 . 1 1 46 46 GLU C C 46 178.820 178.820 178.753 0.067 19298 3154 1 7 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.177 1.033 19298 3155 1 7 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.809 1.071 19298 3156 1 7 . 1 1 46 46 GLU H H 46 8.340 8.340 7.833 0.507 19298 3157 1 7 . 1 1 47 47 LEU N N 47 115.570 115.570 119.858 -4.288 19298 3158 1 7 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.067 0.306 19298 3159 1 7 . 1 1 47 47 LEU C C 47 178.380 178.380 178.653 -0.273 19298 3160 1 7 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.846 -0.326 19298 3161 1 7 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.819 -0.140 19298 3162 1 7 . 1 1 47 47 LEU H H 47 7.196 7.196 7.807 -0.611 19298 3163 1 7 . 1 1 48 48 TYR N N 48 119.670 119.670 120.500 -0.830 19298 3164 1 7 . 1 1 48 48 TYR HA H 48 4.209 4.209 3.998 0.211 19298 3165 1 7 . 1 1 48 48 TYR C C 48 176.380 176.380 177.388 -1.008 19298 3166 1 7 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.886 -1.256 19298 3167 1 7 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.471 -1.841 19298 3168 1 7 . 1 1 48 48 TYR H H 48 6.816 6.816 7.492 -0.676 19298 3169 1 7 . 1 1 49 49 LEU N N 49 118.190 118.190 117.305 0.885 19298 3170 1 7 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.894 -0.692 19298 3171 1 7 . 1 1 49 49 LEU C C 49 179.030 179.030 178.994 0.036 19298 3172 1 7 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.211 0.529 19298 3173 1 7 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.742 1.488 19298 3174 1 7 . 1 1 49 49 LEU H H 49 8.129 8.129 7.931 0.198 19298 3175 1 7 . 1 1 50 50 LEU N N 50 117.130 117.130 120.105 -2.975 19298 3176 1 7 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.956 -0.246 19298 3177 1 7 . 1 1 50 50 LEU C C 50 176.420 176.420 177.645 -1.225 19298 3178 1 7 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.679 -0.389 19298 3179 1 7 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.301 0.339 19298 3180 1 7 . 1 1 50 50 LEU H H 50 7.543 7.543 7.852 -0.309 19298 3181 1 7 . 1 1 51 51 PHE N N 51 110.420 110.420 113.950 -3.530 19298 3182 1 7 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.651 0.009 19298 3183 1 7 . 1 1 51 51 PHE C C 51 175.110 175.110 176.308 -1.198 19298 3184 1 7 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.285 1.355 19298 3185 1 7 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.043 2.207 19298 3186 1 7 . 1 1 51 51 PHE H H 51 7.439 7.439 7.962 -0.523 19298 3187 1 7 . 1 1 52 52 ARG N N 52 120.680 120.680 120.781 -0.101 19298 3188 1 7 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.100 -0.357 19298 3189 1 7 . 1 1 52 52 ARG CA C 52 59.920 59.920 59.380 0.540 19298 3190 1 7 . 1 1 52 52 ARG H H 52 7.865 7.865 7.408 0.457 19298 3191 1 7 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.366 -0.164 19298 3192 1 7 . 1 1 53 53 PRO C C 53 176.600 176.600 176.229 0.371 19298 3193 1 7 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.039 1.501 19298 3194 1 7 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.611 -0.651 19298 3195 1 7 . 1 1 54 54 PHE N N 54 117.470 117.470 120.636 -3.166 19298 3196 1 7 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.615 -0.359 19298 3197 1 7 . 1 1 54 54 PHE C C 54 175.500 175.500 175.311 0.189 19298 3198 1 7 . 1 1 54 54 PHE CA C 54 59.200 59.200 57.273 1.927 19298 3199 1 7 . 1 1 54 54 PHE CB C 54 38.680 38.680 39.270 -0.590 19298 3200 1 7 . 1 1 54 54 PHE H H 54 7.943 7.943 7.394 0.549 19298 3201 1 7 . 1 1 55 55 LYS N N 55 126.460 126.460 127.256 -0.796 19298 3202 1 7 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.339 -0.186 19298 3203 1 7 . 1 1 55 55 LYS C C 55 177.900 177.900 176.805 1.095 19298 3204 1 7 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.343 0.697 19298 3205 1 7 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.802 0.728 19298 3206 1 7 . 1 1 55 55 LYS H H 55 8.571 8.571 8.681 -0.110 19298 3207 1 7 . 1 1 56 56 GLY N N 56 112.780 112.780 111.273 1.507 19298 3208 1 7 . 1 1 56 56 GLY C C 56 174.830 174.830 174.078 0.752 19298 3209 1 7 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.829 0.321 19298 3210 1 7 . 1 1 56 56 GLY H H 56 9.045 9.045 8.582 0.463 19298 3211 1 7 . 1 1 57 57 TYR N N 57 121.700 121.700 123.131 -1.431 19298 3212 1 7 . 1 1 57 57 TYR HA H 57 3.076 3.076 4.075 -0.999 19298 3213 1 7 . 1 1 57 57 TYR C C 57 175.260 175.260 175.344 -0.084 19298 3214 1 7 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.391 0.259 19298 3215 1 7 . 1 1 57 57 TYR CB C 57 38.190 38.190 38.144 0.046 19298 3216 1 7 . 1 1 57 57 TYR H H 57 7.560 7.560 7.759 -0.199 19298 3217 1 7 . 1 1 58 58 GLU N N 58 128.500 128.500 128.106 0.394 19298 3218 1 7 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.249 0.019 19298 3219 1 7 . 1 1 58 58 GLU C C 58 175.700 175.700 175.764 -0.064 19298 3220 1 7 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.349 -1.009 19298 3221 1 7 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.170 0.560 19298 3222 1 7 . 1 1 58 58 GLU H H 58 8.356 8.356 8.666 -0.310 19298 3223 1 7 . 1 1 59 59 GLY N N 59 104.920 104.920 106.890 -1.970 19298 3224 1 7 . 1 1 59 59 GLY C C 59 170.310 170.310 171.838 -1.528 19298 3225 1 7 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.933 0.597 19298 3226 1 7 . 1 1 59 59 GLY H H 59 6.411 6.411 6.966 -0.555 19298 3227 1 7 . 1 1 60 60 SER N N 60 110.020 110.020 114.966 -4.946 19298 3228 1 7 . 1 1 60 60 SER HA H 60 5.468 5.468 5.218 0.250 19298 3229 1 7 . 1 1 60 60 SER C C 60 172.470 172.470 173.286 -0.816 19298 3230 1 7 . 1 1 60 60 SER CA C 60 57.170 57.170 57.309 -0.139 19298 3231 1 7 . 1 1 60 60 SER CB C 60 66.610 66.610 66.680 -0.070 19298 3232 1 7 . 1 1 60 60 SER H H 60 8.280 8.280 8.236 0.044 19298 3233 1 7 . 1 1 61 61 LEU N N 61 118.490 118.490 125.224 -6.734 19298 3234 1 7 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.723 0.020 19298 3235 1 7 . 1 1 61 61 LEU C C 61 174.600 174.600 175.458 -0.858 19298 3236 1 7 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.045 0.635 19298 3237 1 7 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.344 1.036 19298 3238 1 7 . 1 1 61 61 LEU H H 61 8.953 8.953 9.067 -0.114 19298 3239 1 7 . 1 1 62 62 ILE N N 62 120.760 120.760 123.230 -2.470 19298 3240 1 7 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.888 0.029 19298 3241 1 7 . 1 1 62 62 ILE C C 62 175.600 175.600 176.101 -0.501 19298 3242 1 7 . 1 1 62 62 ILE CA C 62 59.490 59.490 58.940 0.550 19298 3243 1 7 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.912 1.008 19298 3244 1 7 . 1 1 62 62 ILE H H 62 8.639 8.639 8.620 0.019 19298 3245 1 7 . 1 1 63 63 LYS N N 63 127.240 127.240 127.340 -0.100 19298 3246 1 7 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.659 0.043 19298 3247 1 7 . 1 1 63 63 LYS C C 63 174.700 174.700 174.719 -0.019 19298 3248 1 7 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.715 -0.165 19298 3249 1 7 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.910 0.580 19298 3250 1 7 . 1 1 63 63 LYS H H 63 9.145 9.145 9.001 0.144 19298 3251 1 7 . 1 1 64 64 LEU N N 64 124.700 124.700 128.567 -3.867 19298 3252 1 7 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.514 0.188 19298 3253 1 7 . 1 1 64 64 LEU C C 64 177.470 177.470 176.178 1.292 19298 3254 1 7 . 1 1 64 64 LEU CA C 64 54.590 54.590 54.991 -0.401 19298 3255 1 7 . 1 1 64 64 LEU CB C 64 42.420 42.420 40.954 1.466 19298 3256 1 7 . 1 1 64 64 LEU H H 64 8.648 8.648 8.767 -0.119 19298 3257 1 7 . 1 1 65 65 THR N N 65 116.860 116.860 123.136 -6.276 19298 3258 1 7 . 1 1 65 65 THR HA H 65 4.521 4.521 4.512 0.009 19298 3259 1 7 . 1 1 65 65 THR C C 65 174.160 174.160 173.999 0.161 19298 3260 1 7 . 1 1 65 65 THR CA C 65 60.990 60.990 60.701 0.289 19298 3261 1 7 . 1 1 65 65 THR CB C 65 70.630 70.630 70.342 0.288 19298 3262 1 7 . 1 1 65 65 THR H H 65 8.330 8.330 7.819 0.511 19298 3263 1 7 . 1 1 66 66 ALA N N 66 127.310 127.310 123.733 3.577 19298 3264 1 7 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.170 -0.000 19298 3265 1 7 . 1 1 66 66 ALA C C 66 177.060 177.060 178.415 -1.355 19298 3266 1 7 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.207 -0.617 19298 3267 1 7 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.653 -0.593 19298 3268 1 7 . 1 1 66 66 ALA H H 66 8.834 8.834 8.449 0.385 19298 3269 1 7 . 1 1 67 67 ARG N N 67 113.660 113.660 116.649 -2.989 19298 3270 1 7 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.350 -0.286 19298 3271 1 7 . 1 1 67 67 ARG C C 67 175.400 175.400 175.640 -0.240 19298 3272 1 7 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.666 0.644 19298 3273 1 7 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.270 -1.500 19298 3274 1 7 . 1 1 67 67 ARG H H 67 8.335 8.335 8.339 -0.004 19298 3275 1 7 . 1 1 68 68 GLN N N 68 118.790 118.790 116.905 1.885 19298 3276 1 7 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.649 0.166 19298 3277 1 7 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.295 0.985 19298 3278 1 7 . 1 1 68 68 GLN H H 68 7.832 7.832 7.615 0.217 19298 3279 1 7 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.847 -0.001 19298 3280 1 7 . 1 1 69 69 PRO C C 69 175.480 175.480 176.618 -1.138 19298 3281 1 7 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.478 0.422 19298 3282 1 7 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.450 1.000 19298 3283 1 7 . 1 1 70 70 VAL N N 70 117.700 117.700 120.372 -2.672 19298 3284 1 7 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.112 0.430 19298 3285 1 7 . 1 1 70 70 VAL C C 70 174.470 174.470 175.120 -0.650 19298 3286 1 7 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.371 -0.331 19298 3287 1 7 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.323 2.597 19298 3288 1 7 . 1 1 70 70 VAL H H 70 8.722 8.722 8.446 0.276 19298 3289 1 7 . 1 1 71 71 GLY N N 71 107.930 107.930 109.120 -1.190 19298 3290 1 7 . 1 1 71 71 GLY C C 71 171.000 171.000 172.416 -1.416 19298 3291 1 7 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.033 -0.043 19298 3292 1 7 . 1 1 71 71 GLY H H 71 8.716 8.716 8.510 0.206 19298 3293 1 7 . 1 1 72 72 PHE N N 72 119.400 119.400 125.552 -6.152 19298 3294 1 7 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.182 0.453 19298 3295 1 7 . 1 1 72 72 PHE C C 72 175.350 175.350 175.146 0.204 19298 3296 1 7 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.715 -0.885 19298 3297 1 7 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.383 2.727 19298 3298 1 7 . 1 1 72 72 PHE H H 72 8.934 8.934 9.264 -0.330 19298 3299 1 7 . 1 1 73 73 VAL N N 73 122.000 122.000 125.936 -3.936 19298 3300 1 7 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.311 0.252 19298 3301 1 7 . 1 1 73 73 VAL C C 73 172.930 172.930 174.974 -2.044 19298 3302 1 7 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.833 -1.073 19298 3303 1 7 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.312 2.258 19298 3304 1 7 . 1 1 73 73 VAL H H 73 8.934 8.934 9.069 -0.135 19298 3305 1 7 . 1 1 74 74 ILE N N 74 128.000 128.000 127.903 0.097 19298 3306 1 7 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.968 -0.101 19298 3307 1 7 . 1 1 74 74 ILE C C 74 173.700 173.700 175.019 -1.319 19298 3308 1 7 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.960 0.920 19298 3309 1 7 . 1 1 74 74 ILE CB C 74 33.400 33.400 38.454 -5.054 19298 3310 1 7 . 1 1 74 74 ILE H H 74 8.702 8.702 8.692 0.010 19298 3311 1 7 . 1 1 75 75 PHE N N 75 125.200 125.200 125.908 -0.708 19298 3312 1 7 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.243 -0.096 19298 3313 1 7 . 1 1 75 75 PHE C C 75 175.880 175.880 176.101 -0.221 19298 3314 1 7 . 1 1 75 75 PHE CA C 75 56.220 56.220 56.892 -0.672 19298 3315 1 7 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.331 2.349 19298 3316 1 7 . 1 1 75 75 PHE H H 75 8.200 8.200 8.764 -0.564 19298 3317 1 7 . 1 1 76 76 ASP N N 76 119.150 119.150 120.209 -1.059 19298 3318 1 7 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.309 -0.032 19298 3319 1 7 . 1 1 76 76 ASP C C 76 176.020 176.020 175.605 0.415 19298 3320 1 7 . 1 1 76 76 ASP CA C 76 55.580 55.580 57.066 -1.486 19298 3321 1 7 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.776 -1.256 19298 3322 1 7 . 1 1 76 76 ASP H H 76 9.400 9.400 9.026 0.374 19298 3323 1 7 . 1 1 77 77 SER N N 77 111.280 111.280 108.100 3.180 19298 3324 1 7 . 1 1 77 77 SER HA H 77 4.683 4.683 4.727 -0.044 19298 3325 1 7 . 1 1 77 77 SER C C 77 173.670 173.670 174.476 -0.806 19298 3326 1 7 . 1 1 77 77 SER CA C 77 56.620 56.620 57.298 -0.678 19298 3327 1 7 . 1 1 77 77 SER CB C 77 66.470 66.470 66.567 -0.096 19298 3328 1 7 . 1 1 77 77 SER H H 77 7.804 7.804 7.668 0.136 19298 3329 1 7 . 1 1 78 78 ARG N N 78 125.240 125.240 121.927 3.313 19298 3330 1 7 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.346 -0.316 19298 3331 1 7 . 1 1 78 78 ARG C C 78 177.710 177.710 177.721 -0.011 19298 3332 1 7 . 1 1 78 78 ARG CA C 78 59.870 59.870 59.280 0.590 19298 3333 1 7 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.667 0.133 19298 3334 1 7 . 1 1 78 78 ARG H H 78 9.348 9.348 9.001 0.347 19298 3335 1 7 . 1 1 79 79 ALA N N 79 120.700 120.700 122.033 -1.333 19298 3336 1 7 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.400 -0.200 19298 3337 1 7 . 1 1 79 79 ALA C C 79 181.360 181.360 179.598 1.762 19298 3338 1 7 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.603 0.677 19298 3339 1 7 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.100 0.050 19298 3340 1 7 . 1 1 79 79 ALA H H 79 8.660 8.660 8.514 0.146 19298 3341 1 7 . 1 1 80 80 GLY N N 80 107.500 107.500 105.699 1.801 19298 3342 1 7 . 1 1 80 80 GLY C C 80 175.710 175.710 175.503 0.207 19298 3343 1 7 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.861 0.929 19298 3344 1 7 . 1 1 80 80 GLY H H 80 8.161 8.161 7.735 0.426 19298 3345 1 7 . 1 1 81 81 ALA N N 81 124.650 124.650 125.429 -0.779 19298 3346 1 7 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.006 -0.430 19298 3347 1 7 . 1 1 81 81 ALA C C 81 178.570 178.570 178.671 -0.101 19298 3348 1 7 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.604 -0.384 19298 3349 1 7 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.493 -0.313 19298 3350 1 7 . 1 1 81 81 ALA H H 81 7.298 7.298 7.896 -0.598 19298 3351 1 7 . 1 1 82 82 GLU N N 82 118.890 118.890 117.953 0.937 19298 3352 1 7 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.869 -0.138 19298 3353 1 7 . 1 1 82 82 GLU C C 82 177.800 177.800 178.622 -0.822 19298 3354 1 7 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.081 0.479 19298 3355 1 7 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.297 0.563 19298 3356 1 7 . 1 1 82 82 GLU H H 82 8.930 8.930 8.721 0.209 19298 3357 1 7 . 1 1 83 83 ALA N N 83 119.410 119.410 122.171 -2.761 19298 3358 1 7 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.144 -0.027 19298 3359 1 7 . 1 1 83 83 ALA C C 83 180.810 180.810 179.474 1.336 19298 3360 1 7 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.672 0.218 19298 3361 1 7 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.025 0.125 19298 3362 1 7 . 1 1 83 83 ALA H H 83 7.572 7.572 7.432 0.140 19298 3363 1 7 . 1 1 84 84 ALA N N 84 120.280 120.280 121.240 -0.960 19298 3364 1 7 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.320 -1.180 19298 3365 1 7 . 1 1 84 84 ALA C C 84 178.010 178.010 179.319 -1.309 19298 3366 1 7 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.066 -0.336 19298 3367 1 7 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.015 0.695 19298 3368 1 7 . 1 1 84 84 ALA H H 84 6.950 6.950 7.620 -0.670 19298 3369 1 7 . 1 1 85 85 LYS N N 85 118.040 118.040 119.300 -1.260 19298 3370 1 7 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.819 -0.231 19298 3371 1 7 . 1 1 85 85 LYS C C 85 177.700 177.700 178.332 -0.632 19298 3372 1 7 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.544 0.016 19298 3373 1 7 . 1 1 85 85 LYS CB C 85 32.090 32.090 32.118 -0.028 19298 3374 1 7 . 1 1 85 85 LYS H H 85 8.042 8.042 8.235 -0.193 19298 3375 1 7 . 1 1 86 86 ASN N N 86 114.630 114.630 117.026 -2.396 19298 3376 1 7 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.504 -0.031 19298 3377 1 7 . 1 1 86 86 ASN C C 86 177.320 177.320 176.973 0.347 19298 3378 1 7 . 1 1 86 86 ASN CA C 86 55.070 55.070 56.050 -0.980 19298 3379 1 7 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.414 -0.424 19298 3380 1 7 . 1 1 86 86 ASN H H 86 8.087 8.087 8.049 0.038 19298 3381 1 7 . 1 1 87 87 ALA N N 87 120.200 120.200 121.263 -1.063 19298 3382 1 7 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.265 0.042 19298 3383 1 7 . 1 1 87 87 ALA C C 87 179.630 179.630 178.503 1.127 19298 3384 1 7 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.047 0.252 19298 3385 1 7 . 1 1 87 87 ALA CB C 87 20.180 20.180 20.087 0.093 19298 3386 1 7 . 1 1 87 87 ALA H H 87 7.557 7.557 7.626 -0.069 19298 3387 1 7 . 1 1 88 88 LEU N N 88 114.210 114.210 116.344 -2.134 19298 3388 1 7 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.546 -0.133 19298 3389 1 7 . 1 1 88 88 LEU C C 88 176.580 176.580 176.226 0.354 19298 3390 1 7 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.045 0.365 19298 3391 1 7 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.938 1.391 19298 3392 1 7 . 1 1 88 88 LEU H H 88 7.561 7.561 7.893 -0.332 19298 3393 1 7 . 1 1 89 89 ASN N N 89 117.970 117.970 118.176 -0.206 19298 3394 1 7 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.481 -0.225 19298 3395 1 7 . 1 1 89 89 ASN C C 89 177.700 177.700 176.453 1.247 19298 3396 1 7 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.963 2.027 19298 3397 1 7 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.289 0.281 19298 3398 1 7 . 1 1 89 89 ASN H H 89 7.550 7.550 8.045 -0.495 19298 3399 1 7 . 1 1 90 90 GLY N N 90 112.220 112.220 113.475 -1.255 19298 3400 1 7 . 1 1 90 90 GLY C C 90 174.360 174.360 173.831 0.529 19298 3401 1 7 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.872 0.888 19298 3402 1 7 . 1 1 90 90 GLY H H 90 8.734 8.734 9.008 -0.274 19298 3403 1 7 . 1 1 91 91 ILE N N 91 115.840 115.840 121.240 -5.400 19298 3404 1 7 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.228 0.248 19298 3405 1 7 . 1 1 91 91 ILE C C 91 175.940 175.940 174.898 1.042 19298 3406 1 7 . 1 1 91 91 ILE CA C 91 60.520 60.520 60.035 0.485 19298 3407 1 7 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.584 -0.564 19298 3408 1 7 . 1 1 91 91 ILE H H 91 7.518 7.518 7.311 0.207 19298 3409 1 7 . 1 1 92 92 ARG N N 92 120.160 120.160 127.870 -7.710 19298 3410 1 7 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.183 0.294 19298 3411 1 7 . 1 1 92 92 ARG C C 92 175.840 175.840 176.142 -0.302 19298 3412 1 7 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.684 -0.024 19298 3413 1 7 . 1 1 92 92 ARG CB C 92 30.550 30.550 29.020 1.530 19298 3414 1 7 . 1 1 92 92 ARG H H 92 8.461 8.461 8.798 -0.337 19298 3415 1 7 . 1 1 93 93 PHE N N 93 126.780 126.780 126.386 0.394 19298 3416 1 7 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.309 -0.252 19298 3417 1 7 . 1 1 93 93 PHE C C 93 171.620 171.620 175.499 -3.879 19298 3418 1 7 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.722 1.288 19298 3419 1 7 . 1 1 93 93 PHE CB C 93 40.480 40.480 40.148 0.332 19298 3420 1 7 . 1 1 93 93 PHE H H 93 8.443 8.443 8.502 -0.059 19298 3421 1 7 . 1 1 94 94 ASP N N 94 110.650 110.650 117.922 -7.272 19298 3422 1 7 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.858 0.011 19298 3423 1 7 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.276 -2.746 19298 3424 1 7 . 1 1 94 94 ASP H H 94 7.860 7.860 7.698 0.162 19298 3425 1 7 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.379 -0.532 19298 3426 1 7 . 1 1 95 95 PRO C C 95 177.650 177.650 176.992 0.658 19298 3427 1 7 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.415 -1.125 19298 3428 1 7 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.624 -0.534 19298 3429 1 7 . 1 1 96 96 GLU N N 96 115.270 115.270 117.595 -2.325 19298 3430 1 7 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.259 -0.034 19298 3431 1 7 . 1 1 96 96 GLU C C 96 175.310 175.310 176.326 -1.016 19298 3432 1 7 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.814 -0.644 19298 3433 1 7 . 1 1 96 96 GLU CB C 96 30.000 30.000 30.279 -0.279 19298 3434 1 7 . 1 1 96 96 GLU H H 96 7.944 7.944 8.319 -0.375 19298 3435 1 7 . 1 1 97 97 ASN N N 97 121.610 121.610 118.652 2.958 19298 3436 1 7 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.997 0.205 19298 3437 1 7 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.138 -0.278 19298 3438 1 7 . 1 1 97 97 ASN H H 97 8.190 8.190 7.606 0.584 19298 3439 1 7 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.279 -0.110 19298 3440 1 7 . 1 1 98 98 PRO C C 98 176.940 176.940 176.564 0.376 19298 3441 1 7 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.908 -0.618 19298 3442 1 7 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.898 0.312 19298 3443 1 7 . 1 1 99 99 GLN N N 99 120.230 120.230 120.855 -0.625 19298 3444 1 7 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.184 -0.001 19298 3445 1 7 . 1 1 99 99 GLN C C 99 176.660 176.660 175.164 1.496 19298 3446 1 7 . 1 1 99 99 GLN CA C 99 57.080 57.080 56.564 0.516 19298 3447 1 7 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.759 0.231 19298 3448 1 7 . 1 1 99 99 GLN H H 99 8.174 8.174 8.047 0.127 19298 3449 1 7 . 1 1 100 100 THR N N 100 117.080 117.080 116.554 0.526 19298 3450 1 7 . 1 1 100 100 THR HA H 100 4.784 4.784 4.646 0.138 19298 3451 1 7 . 1 1 100 100 THR C C 100 174.540 174.540 173.166 1.374 19298 3452 1 7 . 1 1 100 100 THR CA C 100 59.870 59.870 59.566 0.304 19298 3453 1 7 . 1 1 100 100 THR CB C 100 71.920 71.920 71.350 0.570 19298 3454 1 7 . 1 1 100 100 THR H H 100 8.241 8.241 8.003 0.238 19298 3455 1 7 . 1 1 101 101 LEU N N 101 120.720 120.720 125.579 -4.859 19298 3456 1 7 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.004 -0.365 19298 3457 1 7 . 1 1 101 101 LEU C C 101 177.930 177.930 174.690 3.240 19298 3458 1 7 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.098 0.562 19298 3459 1 7 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.309 0.171 19298 3460 1 7 . 1 1 101 101 LEU H H 101 8.809 8.809 9.270 -0.461 19298 3461 1 7 . 1 1 102 102 ARG N N 102 124.040 124.040 126.794 -2.754 19298 3462 1 7 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.690 0.281 19298 3463 1 7 . 1 1 102 102 ARG C C 102 174.500 174.500 173.363 1.137 19298 3464 1 7 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.838 -0.128 19298 3465 1 7 . 1 1 102 102 ARG CB C 102 32.000 32.000 33.685 -1.685 19298 3466 1 7 . 1 1 102 102 ARG H H 102 8.327 8.327 9.106 -0.779 19298 3467 1 7 . 1 1 103 103 LEU N N 103 125.780 125.780 127.282 -1.502 19298 3468 1 7 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.929 0.441 19298 3469 1 7 . 1 1 103 103 LEU C C 103 174.660 174.660 175.646 -0.986 19298 3470 1 7 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.862 0.798 19298 3471 1 7 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.362 1.418 19298 3472 1 7 . 1 1 103 103 LEU H H 103 8.825 8.825 8.454 0.371 19298 3473 1 7 . 1 1 104 104 GLU N N 104 119.100 119.100 121.469 -2.369 19298 3474 1 7 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.354 0.155 19298 3475 1 7 . 1 1 104 104 GLU C C 104 175.110 175.110 174.796 0.314 19298 3476 1 7 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.063 0.376 19298 3477 1 7 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.675 0.346 19298 3478 1 7 . 1 1 104 104 GLU H H 104 8.348 8.348 7.848 0.500 19298 3479 1 7 . 1 1 105 105 PHE N N 105 121.070 121.070 121.545 -0.475 19298 3480 1 7 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.637 -0.026 19298 3481 1 7 . 1 1 105 105 PHE C C 105 177.060 177.060 176.802 0.258 19298 3482 1 7 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.534 1.656 19298 3483 1 7 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.769 -0.589 19298 3484 1 7 . 1 1 105 105 PHE H H 105 9.227 9.227 8.759 0.468 19298 3485 1 7 . 1 1 106 106 ALA N N 106 124.890 124.890 127.923 -3.033 19298 3486 1 7 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.711 -0.286 19298 3487 1 7 . 1 1 106 106 ALA C C 106 175.860 175.860 176.666 -0.806 19298 3488 1 7 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.251 -0.971 19298 3489 1 7 . 1 1 106 106 ALA CB C 106 19.750 19.750 19.976 -0.226 19298 3490 1 7 . 1 1 106 106 ALA H H 106 9.567 9.567 8.628 0.939 19298 3491 1 7 . 1 1 107 107 LYS N N 107 117.510 117.510 121.001 -3.491 19298 3492 1 7 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.260 -0.088 19298 3493 1 7 . 1 1 107 107 LYS C C 107 176.060 176.060 175.517 0.543 19298 3494 1 7 . 1 1 107 107 LYS CA C 107 57.150 57.150 56.711 0.439 19298 3495 1 7 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.345 0.155 19298 3496 1 7 . 1 1 107 107 LYS H H 107 8.581 8.581 8.598 -0.017 19298 3497 1 7 . 1 1 108 108 ALA N N 108 118.700 118.700 121.537 -2.837 19298 3498 1 7 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.544 -0.170 19298 3499 1 7 . 1 1 108 108 ALA C C 108 176.650 176.650 176.120 0.530 19298 3500 1 7 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.463 -0.593 19298 3501 1 7 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.253 0.267 19298 3502 1 7 . 1 1 108 108 ALA H H 108 7.731 7.731 7.661 0.070 19298 3503 1 7 . 1 1 109 109 ASN N N 109 116.530 116.530 123.168 -6.638 19298 3504 1 7 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.799 0.174 19298 3505 1 7 . 1 1 109 109 ASN C C 109 175.940 175.940 174.903 1.037 19298 3506 1 7 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.348 -0.218 19298 3507 1 7 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.706 -0.036 19298 3508 1 7 . 1 1 109 109 ASN H H 109 8.936 8.936 8.561 0.375 19298 3509 1 7 . 1 1 110 110 THR N N 110 116.260 116.260 120.154 -3.894 19298 3510 1 7 . 1 1 110 110 THR HA H 110 4.153 4.153 4.598 -0.445 19298 3511 1 7 . 1 1 110 110 THR C C 110 173.240 173.240 172.826 0.414 19298 3512 1 7 . 1 1 110 110 THR CA C 110 61.990 61.990 61.495 0.495 19298 3513 1 7 . 1 1 110 110 THR CB C 110 69.830 69.830 71.101 -1.271 19298 3514 1 7 . 1 1 110 110 THR H H 110 7.437 7.437 9.130 -1.693 19298 3515 1 7 . 1 1 111 111 LYS N N 111 124.500 124.500 123.467 1.033 19298 3516 1 7 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.588 -0.341 19298 3517 1 7 . 1 1 111 111 LYS C C 111 176.140 176.140 175.602 0.538 19298 3518 1 7 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.211 0.719 19298 3519 1 7 . 1 1 111 111 LYS CB C 111 32.700 32.700 34.516 -1.816 19298 3520 1 7 . 1 1 111 111 LYS H H 111 8.248 8.248 8.371 -0.123 19298 3521 1 7 . 1 1 112 112 MET N N 112 122.000 122.000 119.834 2.166 19298 3522 1 7 . 1 1 112 112 MET HA H 112 4.408 4.408 4.411 -0.003 19298 3523 1 7 . 1 1 112 112 MET C C 112 175.550 175.550 177.416 -1.866 19298 3524 1 7 . 1 1 112 112 MET CA C 112 54.780 54.780 56.736 -1.956 19298 3525 1 7 . 1 1 112 112 MET CB C 112 33.280 33.280 32.866 0.414 19298 3526 1 7 . 1 1 112 112 MET H H 112 8.290 8.290 8.574 -0.284 19298 3527 1 7 . 1 1 113 113 ALA N N 113 125.150 125.150 122.553 2.597 19298 3528 1 7 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.291 -0.035 19298 3529 1 7 . 1 1 113 113 ALA C C 113 177.580 177.580 176.618 0.962 19298 3530 1 7 . 1 1 113 113 ALA CA C 113 52.470 52.470 52.300 0.170 19298 3531 1 7 . 1 1 113 113 ALA CB C 113 19.140 19.140 18.669 0.470 19298 3532 1 7 . 1 1 113 113 ALA H H 113 8.213 8.213 7.994 0.219 19298 3533 1 7 . 1 1 114 114 LYS N N 114 120.740 120.740 125.154 -4.414 19298 3534 1 7 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.440 -0.184 19298 3535 1 7 . 1 1 114 114 LYS C C 114 176.790 176.790 175.280 1.510 19298 3536 1 7 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.672 0.668 19298 3537 1 7 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.987 -1.117 19298 3538 1 7 . 1 1 114 114 LYS H H 114 8.261 8.261 8.305 -0.044 19298 3539 1 7 . 1 1 115 115 SER N N 115 116.780 116.780 120.740 -3.960 19298 3540 1 7 . 1 1 115 115 SER HA H 115 4.393 4.393 4.501 -0.108 19298 3541 1 7 . 1 1 115 115 SER C C 115 174.710 174.710 173.581 1.129 19298 3542 1 7 . 1 1 115 115 SER CA C 115 58.410 58.410 57.523 0.887 19298 3543 1 7 . 1 1 115 115 SER CB C 115 63.870 63.870 64.246 -0.376 19298 3544 1 7 . 1 1 115 115 SER H H 115 8.268 8.268 8.593 -0.325 19298 3545 1 7 . 1 1 116 116 LYS N N 116 123.210 123.210 126.905 -3.695 19298 3546 1 7 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.267 0.024 19298 3547 1 7 . 1 1 116 116 LYS C C 116 176.400 176.400 176.364 0.036 19298 3548 1 7 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.758 -0.428 19298 3549 1 7 . 1 1 116 116 LYS CB C 116 32.710 32.710 32.361 0.349 19298 3550 1 7 . 1 1 116 116 LYS H H 116 8.346 8.346 8.646 -0.300 19298 3551 1 7 . 1 1 117 117 LEU N N 117 122.470 122.470 126.739 -4.269 19298 3552 1 7 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.426 -0.150 19298 3553 1 7 . 1 1 117 117 LEU C C 117 177.080 177.080 177.552 -0.472 19298 3554 1 7 . 1 1 117 117 LEU CA C 117 55.050 55.050 54.838 0.212 19298 3555 1 7 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.169 0.041 19298 3556 1 7 . 1 1 117 117 LEU H H 117 8.093 8.093 8.647 -0.554 19298 3557 1 8 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.398 -0.032 19298 3558 1 8 . 1 1 27 27 GLU C C 27 176.230 176.230 176.116 0.114 19298 3559 1 8 . 1 1 27 27 GLU CA C 27 56.240 56.240 57.099 -0.859 19298 3560 1 8 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.834 -0.114 19298 3561 1 8 . 1 1 28 28 GLU N N 28 122.500 122.500 122.369 0.131 19298 3562 1 8 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.541 -0.279 19298 3563 1 8 . 1 1 28 28 GLU C C 28 175.860 175.860 175.082 0.778 19298 3564 1 8 . 1 1 28 28 GLU CA C 28 56.360 56.360 55.512 0.848 19298 3565 1 8 . 1 1 28 28 GLU CB C 28 30.510 30.510 28.977 1.533 19298 3566 1 8 . 1 1 28 28 GLU H H 28 8.521 8.521 8.372 0.149 19298 3567 1 8 . 1 1 29 29 GLU N N 29 123.290 123.290 123.860 -0.570 19298 3568 1 8 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.572 -0.341 19298 3569 1 8 . 1 1 29 29 GLU C C 29 176.740 176.740 175.378 1.362 19298 3570 1 8 . 1 1 29 29 GLU CA C 29 56.360 56.360 54.801 1.559 19298 3571 1 8 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.377 0.463 19298 3572 1 8 . 1 1 29 29 GLU H H 29 8.521 8.521 8.061 0.460 19298 3573 1 8 . 1 1 30 30 VAL N N 30 125.640 125.640 125.444 0.196 19298 3574 1 8 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.056 -0.249 19298 3575 1 8 . 1 1 30 30 VAL C C 30 175.110 175.110 175.963 -0.853 19298 3576 1 8 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.361 1.719 19298 3577 1 8 . 1 1 30 30 VAL CB C 30 31.330 31.330 30.757 0.573 19298 3578 1 8 . 1 1 30 30 VAL H H 30 8.715 8.715 8.536 0.179 19298 3579 1 8 . 1 1 31 31 ARG N N 31 124.730 124.730 125.472 -0.742 19298 3580 1 8 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.877 -0.203 19298 3581 1 8 . 1 1 31 31 ARG C C 31 172.600 172.600 175.777 -3.177 19298 3582 1 8 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.796 -1.216 19298 3583 1 8 . 1 1 31 31 ARG CB C 31 29.750 29.750 32.709 -2.959 19298 3584 1 8 . 1 1 31 31 ARG H H 31 9.378 9.378 10.128 -0.750 19298 3585 1 8 . 1 1 32 32 THR N N 32 115.380 115.380 119.339 -3.959 19298 3586 1 8 . 1 1 32 32 THR HA H 32 5.471 5.471 5.373 0.098 19298 3587 1 8 . 1 1 32 32 THR C C 32 173.810 173.810 173.403 0.407 19298 3588 1 8 . 1 1 32 32 THR CA C 32 61.250 61.250 62.946 -1.696 19298 3589 1 8 . 1 1 32 32 THR CB C 32 71.360 71.360 70.553 0.807 19298 3590 1 8 . 1 1 32 32 THR H H 32 7.144 7.144 7.948 -0.804 19298 3591 1 8 . 1 1 33 33 LEU N N 33 124.600 124.600 128.149 -3.549 19298 3592 1 8 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.153 -0.226 19298 3593 1 8 . 1 1 33 33 LEU C C 33 174.960 174.960 175.691 -0.731 19298 3594 1 8 . 1 1 33 33 LEU CA C 33 52.890 52.890 54.074 -1.184 19298 3595 1 8 . 1 1 33 33 LEU CB C 33 44.910 44.910 43.881 1.029 19298 3596 1 8 . 1 1 33 33 LEU H H 33 9.701 9.701 9.378 0.323 19298 3597 1 8 . 1 1 34 34 PHE N N 34 122.600 122.600 121.574 1.026 19298 3598 1 8 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.073 0.016 19298 3599 1 8 . 1 1 34 34 PHE C C 34 174.530 174.530 174.167 0.363 19298 3600 1 8 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.055 0.685 19298 3601 1 8 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.434 1.976 19298 3602 1 8 . 1 1 34 34 PHE H H 34 9.411 9.411 9.244 0.167 19298 3603 1 8 . 1 1 35 35 VAL N N 35 127.050 127.050 127.934 -0.884 19298 3604 1 8 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.354 0.372 19298 3605 1 8 . 1 1 35 35 VAL C C 35 173.520 173.520 175.479 -1.959 19298 3606 1 8 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.490 -0.840 19298 3607 1 8 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.705 2.465 19298 3608 1 8 . 1 1 35 35 VAL H H 35 8.878 8.878 8.601 0.277 19298 3609 1 8 . 1 1 36 36 SER N N 36 120.260 120.260 120.809 -0.549 19298 3610 1 8 . 1 1 36 36 SER HA H 36 4.876 4.876 4.665 0.211 19298 3611 1 8 . 1 1 36 36 SER C C 36 173.170 173.170 174.431 -1.261 19298 3612 1 8 . 1 1 36 36 SER CA C 36 56.700 56.700 56.527 0.173 19298 3613 1 8 . 1 1 36 36 SER CB C 36 65.440 65.440 65.742 -0.302 19298 3614 1 8 . 1 1 36 36 SER H H 36 8.964 8.964 8.153 0.811 19298 3615 1 8 . 1 1 37 37 GLY N N 37 108.690 108.690 108.014 0.676 19298 3616 1 8 . 1 1 37 37 GLY C C 37 174.150 174.150 173.464 0.686 19298 3617 1 8 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.259 0.271 19298 3618 1 8 . 1 1 37 37 GLY H H 37 8.567 8.567 9.012 -0.445 19298 3619 1 8 . 1 1 38 38 LEU N N 38 118.640 118.640 120.706 -2.066 19298 3620 1 8 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.312 -0.411 19298 3621 1 8 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.288 0.122 19298 3622 1 8 . 1 1 38 38 LEU H H 38 7.426 7.426 8.026 -0.600 19298 3623 1 8 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.422 0.128 19298 3624 1 8 . 1 1 39 39 PRO C C 39 177.540 177.540 177.336 0.204 19298 3625 1 8 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.532 -0.402 19298 3626 1 8 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.553 -0.343 19298 3627 1 8 . 1 1 40 40 VAL N N 40 114.990 114.990 118.496 -3.506 19298 3628 1 8 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.904 -0.220 19298 3629 1 8 . 1 1 40 40 VAL C C 40 175.650 175.650 175.437 0.213 19298 3630 1 8 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.737 0.723 19298 3631 1 8 . 1 1 40 40 VAL CB C 40 31.730 31.730 32.107 -0.377 19298 3632 1 8 . 1 1 40 40 VAL H H 40 8.311 8.311 8.338 -0.027 19298 3633 1 8 . 1 1 41 41 ASP N N 41 117.410 117.410 118.187 -0.777 19298 3634 1 8 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.702 -0.018 19298 3635 1 8 . 1 1 41 41 ASP C C 41 176.140 176.140 175.402 0.738 19298 3636 1 8 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.687 -0.887 19298 3637 1 8 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.768 -1.088 19298 3638 1 8 . 1 1 41 41 ASP H H 41 7.809 7.809 7.854 -0.045 19298 3639 1 8 . 1 1 42 42 ILE N N 42 119.180 119.180 122.043 -2.863 19298 3640 1 8 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.316 -0.232 19298 3641 1 8 . 1 1 42 42 ILE C C 42 173.940 173.940 175.998 -2.058 19298 3642 1 8 . 1 1 42 42 ILE CA C 42 60.770 60.770 60.868 -0.098 19298 3643 1 8 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.834 0.906 19298 3644 1 8 . 1 1 42 42 ILE H H 42 7.098 7.098 7.466 -0.368 19298 3645 1 8 . 1 1 43 43 LYS N N 43 126.520 126.520 131.896 -5.376 19298 3646 1 8 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.932 0.061 19298 3647 1 8 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.937 0.663 19298 3648 1 8 . 1 1 43 43 LYS H H 43 8.963 8.963 9.757 -0.794 19298 3649 1 8 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.268 -0.168 19298 3650 1 8 . 1 1 44 44 PRO C C 44 180.110 180.110 177.701 2.409 19298 3651 1 8 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.387 1.303 19298 3652 1 8 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.876 -0.066 19298 3653 1 8 . 1 1 45 45 ARG N N 45 115.440 115.440 117.560 -2.120 19298 3654 1 8 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.399 -0.156 19298 3655 1 8 . 1 1 45 45 ARG C C 45 176.200 176.200 177.870 -1.670 19298 3656 1 8 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.041 0.509 19298 3657 1 8 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.819 1.601 19298 3658 1 8 . 1 1 45 45 ARG H H 45 8.922 8.922 8.613 0.309 19298 3659 1 8 . 1 1 46 46 GLU N N 46 119.720 119.720 121.622 -1.902 19298 3660 1 8 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.203 -0.165 19298 3661 1 8 . 1 1 46 46 GLU C C 46 178.820 178.820 179.249 -0.429 19298 3662 1 8 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.497 0.713 19298 3663 1 8 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.546 1.334 19298 3664 1 8 . 1 1 46 46 GLU H H 46 8.340 8.340 8.271 0.069 19298 3665 1 8 . 1 1 47 47 LEU N N 47 115.570 115.570 118.935 -3.365 19298 3666 1 8 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.335 0.038 19298 3667 1 8 . 1 1 47 47 LEU C C 47 178.380 178.380 178.712 -0.332 19298 3668 1 8 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.570 -0.050 19298 3669 1 8 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.699 -0.019 19298 3670 1 8 . 1 1 47 47 LEU H H 47 7.196 7.196 7.865 -0.669 19298 3671 1 8 . 1 1 48 48 TYR N N 48 119.670 119.670 120.969 -1.299 19298 3672 1 8 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.165 0.044 19298 3673 1 8 . 1 1 48 48 TYR C C 48 176.380 176.380 177.485 -1.105 19298 3674 1 8 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.058 -1.428 19298 3675 1 8 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.493 -1.863 19298 3676 1 8 . 1 1 48 48 TYR H H 48 6.816 6.816 7.537 -0.721 19298 3677 1 8 . 1 1 49 49 LEU N N 49 118.190 118.190 118.063 0.127 19298 3678 1 8 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.868 -0.666 19298 3679 1 8 . 1 1 49 49 LEU C C 49 179.030 179.030 178.783 0.247 19298 3680 1 8 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.602 0.138 19298 3681 1 8 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.992 1.238 19298 3682 1 8 . 1 1 49 49 LEU H H 49 8.129 8.129 8.392 -0.263 19298 3683 1 8 . 1 1 50 50 LEU N N 50 117.130 117.130 119.520 -2.390 19298 3684 1 8 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.089 -0.379 19298 3685 1 8 . 1 1 50 50 LEU C C 50 176.420 176.420 177.722 -1.302 19298 3686 1 8 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.720 -0.430 19298 3687 1 8 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.581 0.059 19298 3688 1 8 . 1 1 50 50 LEU H H 50 7.543 7.543 7.655 -0.112 19298 3689 1 8 . 1 1 51 51 PHE N N 51 110.420 110.420 115.218 -4.798 19298 3690 1 8 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.387 0.273 19298 3691 1 8 . 1 1 51 51 PHE C C 51 175.110 175.110 177.485 -2.375 19298 3692 1 8 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.950 0.690 19298 3693 1 8 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.337 1.913 19298 3694 1 8 . 1 1 51 51 PHE H H 51 7.439 7.439 8.263 -0.824 19298 3695 1 8 . 1 1 52 52 ARG N N 52 120.680 120.680 121.828 -1.148 19298 3696 1 8 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.125 -0.382 19298 3697 1 8 . 1 1 52 52 ARG CA C 52 59.920 59.920 61.115 -1.195 19298 3698 1 8 . 1 1 52 52 ARG H H 52 7.865 7.865 7.607 0.258 19298 3699 1 8 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.368 -0.166 19298 3700 1 8 . 1 1 53 53 PRO C C 53 176.600 176.600 176.470 0.130 19298 3701 1 8 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.193 1.347 19298 3702 1 8 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.492 -0.532 19298 3703 1 8 . 1 1 54 54 PHE N N 54 117.470 117.470 121.064 -3.594 19298 3704 1 8 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.539 -0.283 19298 3705 1 8 . 1 1 54 54 PHE C C 54 175.500 175.500 175.356 0.144 19298 3706 1 8 . 1 1 54 54 PHE CA C 54 59.200 59.200 57.527 1.673 19298 3707 1 8 . 1 1 54 54 PHE CB C 54 38.680 38.680 39.064 -0.384 19298 3708 1 8 . 1 1 54 54 PHE H H 54 7.943 7.943 7.654 0.289 19298 3709 1 8 . 1 1 55 55 LYS N N 55 126.460 126.460 127.343 -0.883 19298 3710 1 8 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.313 -0.160 19298 3711 1 8 . 1 1 55 55 LYS C C 55 177.900 177.900 176.999 0.901 19298 3712 1 8 . 1 1 55 55 LYS CA C 55 58.040 58.040 56.826 1.214 19298 3713 1 8 . 1 1 55 55 LYS CB C 55 32.530 32.530 30.933 1.597 19298 3714 1 8 . 1 1 55 55 LYS H H 55 8.571 8.571 8.570 0.001 19298 3715 1 8 . 1 1 56 56 GLY N N 56 112.780 112.780 110.284 2.496 19298 3716 1 8 . 1 1 56 56 GLY C C 56 174.830 174.830 173.731 1.099 19298 3717 1 8 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.793 0.357 19298 3718 1 8 . 1 1 56 56 GLY H H 56 9.045 9.045 8.370 0.675 19298 3719 1 8 . 1 1 57 57 TYR N N 57 121.700 121.700 123.381 -1.681 19298 3720 1 8 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.459 -0.383 19298 3721 1 8 . 1 1 57 57 TYR C C 57 175.260 175.260 175.171 0.089 19298 3722 1 8 . 1 1 57 57 TYR CA C 57 59.650 59.650 58.124 1.526 19298 3723 1 8 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.531 0.659 19298 3724 1 8 . 1 1 57 57 TYR H H 57 7.560 7.560 7.637 -0.077 19298 3725 1 8 . 1 1 58 58 GLU N N 58 128.500 128.500 128.045 0.455 19298 3726 1 8 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.175 0.093 19298 3727 1 8 . 1 1 58 58 GLU C C 58 175.700 175.700 175.920 -0.220 19298 3728 1 8 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.759 -1.419 19298 3729 1 8 . 1 1 58 58 GLU CB C 58 31.730 31.730 30.846 0.884 19298 3730 1 8 . 1 1 58 58 GLU H H 58 8.356 8.356 8.313 0.043 19298 3731 1 8 . 1 1 59 59 GLY N N 59 104.920 104.920 106.338 -1.418 19298 3732 1 8 . 1 1 59 59 GLY C C 59 170.310 170.310 171.996 -1.686 19298 3733 1 8 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.791 0.739 19298 3734 1 8 . 1 1 59 59 GLY H H 59 6.411 6.411 7.462 -1.051 19298 3735 1 8 . 1 1 60 60 SER N N 60 110.020 110.020 114.661 -4.641 19298 3736 1 8 . 1 1 60 60 SER HA H 60 5.468 5.468 5.294 0.174 19298 3737 1 8 . 1 1 60 60 SER C C 60 172.470 172.470 173.231 -0.761 19298 3738 1 8 . 1 1 60 60 SER CA C 60 57.170 57.170 57.122 0.048 19298 3739 1 8 . 1 1 60 60 SER CB C 60 66.610 66.610 66.691 -0.081 19298 3740 1 8 . 1 1 60 60 SER H H 60 8.280 8.280 8.200 0.080 19298 3741 1 8 . 1 1 61 61 LEU N N 61 118.490 118.490 125.905 -7.415 19298 3742 1 8 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.805 -0.062 19298 3743 1 8 . 1 1 61 61 LEU C C 61 174.600 174.600 174.922 -0.322 19298 3744 1 8 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.658 1.022 19298 3745 1 8 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.847 0.533 19298 3746 1 8 . 1 1 61 61 LEU H H 61 8.953 8.953 9.077 -0.124 19298 3747 1 8 . 1 1 62 62 ILE N N 62 120.760 120.760 127.005 -6.245 19298 3748 1 8 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.941 -0.024 19298 3749 1 8 . 1 1 62 62 ILE C C 62 175.600 175.600 175.860 -0.260 19298 3750 1 8 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.409 0.081 19298 3751 1 8 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.437 1.483 19298 3752 1 8 . 1 1 62 62 ILE H H 62 8.639 8.639 8.634 0.005 19298 3753 1 8 . 1 1 63 63 LYS N N 63 127.240 127.240 128.537 -1.297 19298 3754 1 8 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.636 0.066 19298 3755 1 8 . 1 1 63 63 LYS C C 63 174.700 174.700 174.788 -0.088 19298 3756 1 8 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.672 -0.122 19298 3757 1 8 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.898 -0.408 19298 3758 1 8 . 1 1 63 63 LYS H H 63 9.145 9.145 9.042 0.103 19298 3759 1 8 . 1 1 64 64 LEU N N 64 124.700 124.700 128.243 -3.543 19298 3760 1 8 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.401 0.301 19298 3761 1 8 . 1 1 64 64 LEU C C 64 177.470 177.470 176.255 1.215 19298 3762 1 8 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.553 -0.963 19298 3763 1 8 . 1 1 64 64 LEU CB C 64 42.420 42.420 40.808 1.612 19298 3764 1 8 . 1 1 64 64 LEU H H 64 8.648 8.648 8.749 -0.101 19298 3765 1 8 . 1 1 65 65 THR N N 65 116.860 116.860 123.427 -6.567 19298 3766 1 8 . 1 1 65 65 THR HA H 65 4.521 4.521 4.525 -0.004 19298 3767 1 8 . 1 1 65 65 THR C C 65 174.160 174.160 174.830 -0.670 19298 3768 1 8 . 1 1 65 65 THR CA C 65 60.990 60.990 61.092 -0.102 19298 3769 1 8 . 1 1 65 65 THR CB C 65 70.630 70.630 70.478 0.151 19298 3770 1 8 . 1 1 65 65 THR H H 65 8.330 8.330 8.083 0.247 19298 3771 1 8 . 1 1 66 66 ALA N N 66 127.310 127.310 125.500 1.810 19298 3772 1 8 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.124 0.046 19298 3773 1 8 . 1 1 66 66 ALA C C 66 177.060 177.060 178.888 -1.828 19298 3774 1 8 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.858 -1.268 19298 3775 1 8 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.769 -0.709 19298 3776 1 8 . 1 1 66 66 ALA H H 66 8.834 8.834 8.672 0.162 19298 3777 1 8 . 1 1 67 67 ARG N N 67 113.660 113.660 115.705 -2.045 19298 3778 1 8 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.446 -0.382 19298 3779 1 8 . 1 1 67 67 ARG C C 67 175.400 175.400 175.051 0.349 19298 3780 1 8 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.112 1.198 19298 3781 1 8 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.255 -1.485 19298 3782 1 8 . 1 1 67 67 ARG H H 67 8.335 8.335 8.236 0.099 19298 3783 1 8 . 1 1 68 68 GLN N N 68 118.790 118.790 114.904 3.886 19298 3784 1 8 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.602 0.213 19298 3785 1 8 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.066 0.214 19298 3786 1 8 . 1 1 68 68 GLN H H 68 7.832 7.832 7.339 0.493 19298 3787 1 8 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.627 0.219 19298 3788 1 8 . 1 1 69 69 PRO C C 69 175.480 175.480 176.974 -1.494 19298 3789 1 8 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.892 0.008 19298 3790 1 8 . 1 1 69 69 PRO CB C 69 32.450 32.450 30.921 1.529 19298 3791 1 8 . 1 1 70 70 VAL N N 70 117.700 117.700 120.922 -3.222 19298 3792 1 8 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.163 0.379 19298 3793 1 8 . 1 1 70 70 VAL C C 70 174.470 174.470 175.146 -0.676 19298 3794 1 8 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.640 -0.600 19298 3795 1 8 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.003 1.917 19298 3796 1 8 . 1 1 70 70 VAL H H 70 8.722 8.722 8.563 0.159 19298 3797 1 8 . 1 1 71 71 GLY N N 71 107.930 107.930 108.404 -0.474 19298 3798 1 8 . 1 1 71 71 GLY C C 71 171.000 171.000 172.548 -1.548 19298 3799 1 8 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.100 -0.110 19298 3800 1 8 . 1 1 71 71 GLY H H 71 8.716 8.716 8.334 0.382 19298 3801 1 8 . 1 1 72 72 PHE N N 72 119.400 119.400 125.647 -6.247 19298 3802 1 8 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.248 0.387 19298 3803 1 8 . 1 1 72 72 PHE C C 72 175.350 175.350 175.502 -0.152 19298 3804 1 8 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.605 -0.775 19298 3805 1 8 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.509 2.601 19298 3806 1 8 . 1 1 72 72 PHE H H 72 8.934 8.934 9.261 -0.327 19298 3807 1 8 . 1 1 73 73 VAL N N 73 122.000 122.000 126.412 -4.412 19298 3808 1 8 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.393 0.170 19298 3809 1 8 . 1 1 73 73 VAL C C 73 172.930 172.930 175.370 -2.440 19298 3810 1 8 . 1 1 73 73 VAL CA C 73 60.760 60.760 62.330 -1.570 19298 3811 1 8 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.324 2.246 19298 3812 1 8 . 1 1 73 73 VAL H H 73 8.934 8.934 9.014 -0.080 19298 3813 1 8 . 1 1 74 74 ILE N N 74 128.000 128.000 122.262 5.738 19298 3814 1 8 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.230 -0.363 19298 3815 1 8 . 1 1 74 74 ILE C C 74 173.700 173.700 174.690 -0.990 19298 3816 1 8 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.428 1.452 19298 3817 1 8 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.398 -5.998 19298 3818 1 8 . 1 1 74 74 ILE H H 74 8.702 8.702 8.891 -0.189 19298 3819 1 8 . 1 1 75 75 PHE N N 75 125.200 125.200 125.650 -0.450 19298 3820 1 8 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.307 -0.160 19298 3821 1 8 . 1 1 75 75 PHE C C 75 175.880 175.880 176.298 -0.418 19298 3822 1 8 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.495 -1.274 19298 3823 1 8 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.948 2.732 19298 3824 1 8 . 1 1 75 75 PHE H H 75 8.200 8.200 9.243 -1.043 19298 3825 1 8 . 1 1 76 76 ASP N N 76 119.150 119.150 119.803 -0.653 19298 3826 1 8 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.416 -0.139 19298 3827 1 8 . 1 1 76 76 ASP C C 76 176.020 176.020 175.893 0.127 19298 3828 1 8 . 1 1 76 76 ASP CA C 76 55.580 55.580 57.024 -1.444 19298 3829 1 8 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.924 -1.404 19298 3830 1 8 . 1 1 76 76 ASP H H 76 9.400 9.400 8.770 0.630 19298 3831 1 8 . 1 1 77 77 SER N N 77 111.280 111.280 109.531 1.749 19298 3832 1 8 . 1 1 77 77 SER HA H 77 4.683 4.683 4.902 -0.219 19298 3833 1 8 . 1 1 77 77 SER C C 77 173.670 173.670 174.513 -0.843 19298 3834 1 8 . 1 1 77 77 SER CA C 77 56.620 56.620 56.856 -0.236 19298 3835 1 8 . 1 1 77 77 SER CB C 77 66.470 66.470 66.300 0.170 19298 3836 1 8 . 1 1 77 77 SER H H 77 7.804 7.804 7.782 0.022 19298 3837 1 8 . 1 1 78 78 ARG N N 78 125.240 125.240 122.666 2.574 19298 3838 1 8 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.535 -0.505 19298 3839 1 8 . 1 1 78 78 ARG C C 78 177.710 177.710 177.849 -0.139 19298 3840 1 8 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.633 1.238 19298 3841 1 8 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.817 -0.017 19298 3842 1 8 . 1 1 78 78 ARG H H 78 9.348 9.348 8.525 0.823 19298 3843 1 8 . 1 1 79 79 ALA N N 79 120.700 120.700 121.463 -0.763 19298 3844 1 8 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.320 -0.120 19298 3845 1 8 . 1 1 79 79 ALA C C 79 181.360 181.360 179.672 1.688 19298 3846 1 8 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.200 1.079 19298 3847 1 8 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.145 0.005 19298 3848 1 8 . 1 1 79 79 ALA H H 79 8.660 8.660 8.726 -0.066 19298 3849 1 8 . 1 1 80 80 GLY N N 80 107.500 107.500 106.613 0.887 19298 3850 1 8 . 1 1 80 80 GLY C C 80 175.710 175.710 175.335 0.375 19298 3851 1 8 . 1 1 80 80 GLY CA C 80 46.790 46.790 46.225 0.565 19298 3852 1 8 . 1 1 80 80 GLY H H 80 8.161 8.161 7.460 0.701 19298 3853 1 8 . 1 1 81 81 ALA N N 81 124.650 124.650 125.192 -0.542 19298 3854 1 8 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.490 -0.914 19298 3855 1 8 . 1 1 81 81 ALA C C 81 178.570 178.570 179.125 -0.555 19298 3856 1 8 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.826 -0.606 19298 3857 1 8 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.830 -0.650 19298 3858 1 8 . 1 1 81 81 ALA H H 81 7.298 7.298 7.654 -0.356 19298 3859 1 8 . 1 1 82 82 GLU N N 82 118.890 118.890 118.247 0.643 19298 3860 1 8 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.998 -0.267 19298 3861 1 8 . 1 1 82 82 GLU C C 82 177.800 177.800 178.387 -0.587 19298 3862 1 8 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.119 0.441 19298 3863 1 8 . 1 1 82 82 GLU CB C 82 29.860 29.860 28.919 0.941 19298 3864 1 8 . 1 1 82 82 GLU H H 82 8.930 8.930 8.764 0.166 19298 3865 1 8 . 1 1 83 83 ALA N N 83 119.410 119.410 122.091 -2.681 19298 3866 1 8 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.148 -0.031 19298 3867 1 8 . 1 1 83 83 ALA C C 83 180.810 180.810 179.233 1.577 19298 3868 1 8 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.564 0.326 19298 3869 1 8 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.254 -0.104 19298 3870 1 8 . 1 1 83 83 ALA H H 83 7.572 7.572 7.446 0.126 19298 3871 1 8 . 1 1 84 84 ALA N N 84 120.280 120.280 121.238 -0.958 19298 3872 1 8 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.319 -1.179 19298 3873 1 8 . 1 1 84 84 ALA C C 84 178.010 178.010 179.479 -1.469 19298 3874 1 8 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.304 -0.574 19298 3875 1 8 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.318 0.392 19298 3876 1 8 . 1 1 84 84 ALA H H 84 6.950 6.950 7.880 -0.930 19298 3877 1 8 . 1 1 85 85 LYS N N 85 118.040 118.040 117.930 0.110 19298 3878 1 8 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.859 -0.271 19298 3879 1 8 . 1 1 85 85 LYS C C 85 177.700 177.700 178.396 -0.696 19298 3880 1 8 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.240 0.320 19298 3881 1 8 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.731 0.359 19298 3882 1 8 . 1 1 85 85 LYS H H 85 8.042 8.042 8.124 -0.082 19298 3883 1 8 . 1 1 86 86 ASN N N 86 114.630 114.630 118.800 -4.170 19298 3884 1 8 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.406 0.067 19298 3885 1 8 . 1 1 86 86 ASN C C 86 177.320 177.320 176.757 0.563 19298 3886 1 8 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.915 -0.845 19298 3887 1 8 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.436 -0.446 19298 3888 1 8 . 1 1 86 86 ASN H H 86 8.087 8.087 7.875 0.212 19298 3889 1 8 . 1 1 87 87 ALA N N 87 120.200 120.200 121.482 -1.282 19298 3890 1 8 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.196 0.111 19298 3891 1 8 . 1 1 87 87 ALA C C 87 179.630 179.630 178.649 0.981 19298 3892 1 8 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.271 0.029 19298 3893 1 8 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.830 0.350 19298 3894 1 8 . 1 1 87 87 ALA H H 87 7.557 7.557 7.620 -0.063 19298 3895 1 8 . 1 1 88 88 LEU N N 88 114.210 114.210 116.637 -2.427 19298 3896 1 8 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.455 -0.042 19298 3897 1 8 . 1 1 88 88 LEU C C 88 176.580 176.580 176.536 0.044 19298 3898 1 8 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.470 -0.060 19298 3899 1 8 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.692 1.638 19298 3900 1 8 . 1 1 88 88 LEU H H 88 7.561 7.561 8.009 -0.448 19298 3901 1 8 . 1 1 89 89 ASN N N 89 117.970 117.970 117.478 0.492 19298 3902 1 8 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.551 -0.295 19298 3903 1 8 . 1 1 89 89 ASN C C 89 177.700 177.700 176.400 1.300 19298 3904 1 8 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.903 2.087 19298 3905 1 8 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.469 0.101 19298 3906 1 8 . 1 1 89 89 ASN H H 89 7.550 7.550 8.039 -0.489 19298 3907 1 8 . 1 1 90 90 GLY N N 90 112.220 112.220 111.658 0.562 19298 3908 1 8 . 1 1 90 90 GLY C C 90 174.360 174.360 173.405 0.955 19298 3909 1 8 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.707 1.053 19298 3910 1 8 . 1 1 90 90 GLY H H 90 8.734 8.734 9.097 -0.363 19298 3911 1 8 . 1 1 91 91 ILE N N 91 115.840 115.840 121.588 -5.748 19298 3912 1 8 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.211 0.265 19298 3913 1 8 . 1 1 91 91 ILE C C 91 175.940 175.940 174.371 1.569 19298 3914 1 8 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.943 0.577 19298 3915 1 8 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.754 -0.734 19298 3916 1 8 . 1 1 91 91 ILE H H 91 7.518 7.518 7.557 -0.039 19298 3917 1 8 . 1 1 92 92 ARG N N 92 120.160 120.160 128.763 -8.603 19298 3918 1 8 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.362 0.115 19298 3919 1 8 . 1 1 92 92 ARG C C 92 175.840 175.840 176.299 -0.459 19298 3920 1 8 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.501 0.159 19298 3921 1 8 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.600 -0.050 19298 3922 1 8 . 1 1 92 92 ARG H H 92 8.461 8.461 8.799 -0.338 19298 3923 1 8 . 1 1 93 93 PHE N N 93 126.780 126.780 126.891 -0.111 19298 3924 1 8 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.264 -0.207 19298 3925 1 8 . 1 1 93 93 PHE C C 93 171.620 171.620 175.244 -3.624 19298 3926 1 8 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.080 0.930 19298 3927 1 8 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.849 0.631 19298 3928 1 8 . 1 1 93 93 PHE H H 93 8.443 8.443 8.779 -0.336 19298 3929 1 8 . 1 1 94 94 ASP N N 94 110.650 110.650 114.083 -3.433 19298 3930 1 8 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.904 -0.035 19298 3931 1 8 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.918 -3.388 19298 3932 1 8 . 1 1 94 94 ASP H H 94 7.860 7.860 7.881 -0.021 19298 3933 1 8 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.426 -0.579 19298 3934 1 8 . 1 1 95 95 PRO C C 95 177.650 177.650 176.536 1.114 19298 3935 1 8 . 1 1 95 95 PRO CA C 95 63.290 63.290 63.819 -0.529 19298 3936 1 8 . 1 1 95 95 PRO CB C 95 32.090 32.090 31.996 0.094 19298 3937 1 8 . 1 1 96 96 GLU N N 96 115.270 115.270 118.105 -2.835 19298 3938 1 8 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.274 -0.049 19298 3939 1 8 . 1 1 96 96 GLU C C 96 175.310 175.310 176.477 -1.167 19298 3940 1 8 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.517 -0.348 19298 3941 1 8 . 1 1 96 96 GLU CB C 96 30.000 30.000 30.438 -0.438 19298 3942 1 8 . 1 1 96 96 GLU H H 96 7.944 7.944 7.944 0.000 19298 3943 1 8 . 1 1 97 97 ASN N N 97 121.610 121.610 118.590 3.020 19298 3944 1 8 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.996 0.206 19298 3945 1 8 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.905 -0.045 19298 3946 1 8 . 1 1 97 97 ASN H H 97 8.190 8.190 8.001 0.189 19298 3947 1 8 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.276 -0.107 19298 3948 1 8 . 1 1 98 98 PRO C C 98 176.940 176.940 176.757 0.183 19298 3949 1 8 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.961 -0.671 19298 3950 1 8 . 1 1 98 98 PRO CB C 98 32.210 32.210 32.071 0.140 19298 3951 1 8 . 1 1 99 99 GLN N N 99 120.230 120.230 120.905 -0.675 19298 3952 1 8 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.164 0.019 19298 3953 1 8 . 1 1 99 99 GLN C C 99 176.660 176.660 174.710 1.950 19298 3954 1 8 . 1 1 99 99 GLN CA C 99 57.080 57.080 56.467 0.613 19298 3955 1 8 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.823 0.167 19298 3956 1 8 . 1 1 99 99 GLN H H 99 8.174 8.174 7.962 0.212 19298 3957 1 8 . 1 1 100 100 THR N N 100 117.080 117.080 115.202 1.878 19298 3958 1 8 . 1 1 100 100 THR HA H 100 4.784 4.784 4.502 0.282 19298 3959 1 8 . 1 1 100 100 THR C C 100 174.540 174.540 173.751 0.789 19298 3960 1 8 . 1 1 100 100 THR CA C 100 59.870 59.870 59.621 0.249 19298 3961 1 8 . 1 1 100 100 THR CB C 100 71.920 71.920 71.484 0.436 19298 3962 1 8 . 1 1 100 100 THR H H 100 8.241 8.241 7.886 0.355 19298 3963 1 8 . 1 1 101 101 LEU N N 101 120.720 120.720 125.276 -4.556 19298 3964 1 8 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.161 -0.522 19298 3965 1 8 . 1 1 101 101 LEU C C 101 177.930 177.930 175.803 2.127 19298 3966 1 8 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.621 0.039 19298 3967 1 8 . 1 1 101 101 LEU CB C 101 44.480 44.480 42.542 1.938 19298 3968 1 8 . 1 1 101 101 LEU H H 101 8.809 8.809 9.276 -0.467 19298 3969 1 8 . 1 1 102 102 ARG N N 102 124.040 124.040 122.851 1.189 19298 3970 1 8 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.650 0.321 19298 3971 1 8 . 1 1 102 102 ARG C C 102 174.500 174.500 173.826 0.674 19298 3972 1 8 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.115 0.595 19298 3973 1 8 . 1 1 102 102 ARG CB C 102 32.000 32.000 31.521 0.479 19298 3974 1 8 . 1 1 102 102 ARG H H 102 8.327 8.327 8.743 -0.416 19298 3975 1 8 . 1 1 103 103 LEU N N 103 125.780 125.780 128.834 -3.054 19298 3976 1 8 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.401 0.969 19298 3977 1 8 . 1 1 103 103 LEU C C 103 174.660 174.660 176.133 -1.473 19298 3978 1 8 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.682 -0.022 19298 3979 1 8 . 1 1 103 103 LEU CB C 103 44.780 44.780 41.578 3.202 19298 3980 1 8 . 1 1 103 103 LEU H H 103 8.825 8.825 8.714 0.111 19298 3981 1 8 . 1 1 104 104 GLU N N 104 119.100 119.100 121.288 -2.188 19298 3982 1 8 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.290 0.219 19298 3983 1 8 . 1 1 104 104 GLU C C 104 175.110 175.110 175.411 -0.301 19298 3984 1 8 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.442 -0.002 19298 3985 1 8 . 1 1 104 104 GLU CB C 104 34.020 34.020 32.898 1.122 19298 3986 1 8 . 1 1 104 104 GLU H H 104 8.348 8.348 7.931 0.417 19298 3987 1 8 . 1 1 105 105 PHE N N 105 121.070 121.070 120.100 0.970 19298 3988 1 8 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.718 -0.107 19298 3989 1 8 . 1 1 105 105 PHE C C 105 177.060 177.060 176.732 0.328 19298 3990 1 8 . 1 1 105 105 PHE CA C 105 61.190 61.190 58.505 2.685 19298 3991 1 8 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.747 -0.567 19298 3992 1 8 . 1 1 105 105 PHE H H 105 9.227 9.227 8.574 0.653 19298 3993 1 8 . 1 1 106 106 ALA N N 106 124.890 124.890 128.710 -3.820 19298 3994 1 8 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.672 -0.247 19298 3995 1 8 . 1 1 106 106 ALA C C 106 175.860 175.860 177.046 -1.186 19298 3996 1 8 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.539 -1.259 19298 3997 1 8 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.059 -0.309 19298 3998 1 8 . 1 1 106 106 ALA H H 106 9.567 9.567 8.921 0.646 19298 3999 1 8 . 1 1 107 107 LYS N N 107 117.510 117.510 122.012 -4.502 19298 4000 1 8 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.310 -0.138 19298 4001 1 8 . 1 1 107 107 LYS C C 107 176.060 176.060 175.481 0.579 19298 4002 1 8 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.038 0.112 19298 4003 1 8 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.521 -0.021 19298 4004 1 8 . 1 1 107 107 LYS H H 107 8.581 8.581 8.672 -0.091 19298 4005 1 8 . 1 1 108 108 ALA N N 108 118.700 118.700 121.463 -2.763 19298 4006 1 8 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.440 -0.066 19298 4007 1 8 . 1 1 108 108 ALA C C 108 176.650 176.650 175.584 1.066 19298 4008 1 8 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.282 -0.412 19298 4009 1 8 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.506 1.014 19298 4010 1 8 . 1 1 108 108 ALA H H 108 7.731 7.731 7.625 0.106 19298 4011 1 8 . 1 1 109 109 ASN N N 109 116.530 116.530 122.245 -5.715 19298 4012 1 8 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.711 0.262 19298 4013 1 8 . 1 1 109 109 ASN C C 109 175.940 175.940 174.706 1.234 19298 4014 1 8 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.755 -0.625 19298 4015 1 8 . 1 1 109 109 ASN CB C 109 38.670 38.670 39.482 -0.812 19298 4016 1 8 . 1 1 109 109 ASN H H 109 8.936 8.936 8.636 0.300 19298 4017 1 8 . 1 1 110 110 THR N N 110 116.260 116.260 120.429 -4.169 19298 4018 1 8 . 1 1 110 110 THR HA H 110 4.153 4.153 4.459 -0.306 19298 4019 1 8 . 1 1 110 110 THR C C 110 173.240 173.240 172.919 0.321 19298 4020 1 8 . 1 1 110 110 THR CA C 110 61.990 61.990 61.839 0.151 19298 4021 1 8 . 1 1 110 110 THR CB C 110 69.830 69.830 70.909 -1.079 19298 4022 1 8 . 1 1 110 110 THR H H 110 7.437 7.437 8.827 -1.390 19298 4023 1 8 . 1 1 111 111 LYS N N 111 124.500 124.500 123.932 0.568 19298 4024 1 8 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.535 -0.288 19298 4025 1 8 . 1 1 111 111 LYS C C 111 176.140 176.140 176.421 -0.281 19298 4026 1 8 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.101 0.829 19298 4027 1 8 . 1 1 111 111 LYS CB C 111 32.700 32.700 33.694 -0.994 19298 4028 1 8 . 1 1 111 111 LYS H H 111 8.248 8.248 8.269 -0.021 19298 4029 1 8 . 1 1 112 112 MET N N 112 122.000 122.000 119.603 2.397 19298 4030 1 8 . 1 1 112 112 MET HA H 112 4.408 4.408 4.457 -0.049 19298 4031 1 8 . 1 1 112 112 MET C C 112 175.550 175.550 176.665 -1.115 19298 4032 1 8 . 1 1 112 112 MET CA C 112 54.780 54.780 55.960 -1.180 19298 4033 1 8 . 1 1 112 112 MET CB C 112 33.280 33.280 32.682 0.598 19298 4034 1 8 . 1 1 112 112 MET H H 112 8.290 8.290 8.545 -0.255 19298 4035 1 8 . 1 1 113 113 ALA N N 113 125.150 125.150 122.565 2.585 19298 4036 1 8 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.572 -0.316 19298 4037 1 8 . 1 1 113 113 ALA C C 113 177.580 177.580 176.237 1.343 19298 4038 1 8 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.424 1.046 19298 4039 1 8 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.431 -0.291 19298 4040 1 8 . 1 1 113 113 ALA H H 113 8.213 8.213 7.723 0.490 19298 4041 1 8 . 1 1 114 114 LYS N N 114 120.740 120.740 124.421 -3.681 19298 4042 1 8 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.476 -0.220 19298 4043 1 8 . 1 1 114 114 LYS C C 114 176.790 176.790 175.584 1.206 19298 4044 1 8 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.339 0.001 19298 4045 1 8 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.311 -0.441 19298 4046 1 8 . 1 1 114 114 LYS H H 114 8.261 8.261 8.445 -0.184 19298 4047 1 8 . 1 1 115 115 SER N N 115 116.780 116.780 120.226 -3.446 19298 4048 1 8 . 1 1 115 115 SER HA H 115 4.393 4.393 4.576 -0.183 19298 4049 1 8 . 1 1 115 115 SER C C 115 174.710 174.710 173.549 1.161 19298 4050 1 8 . 1 1 115 115 SER CA C 115 58.410 58.410 58.019 0.391 19298 4051 1 8 . 1 1 115 115 SER CB C 115 63.870 63.870 64.239 -0.369 19298 4052 1 8 . 1 1 115 115 SER H H 115 8.268 8.268 8.514 -0.246 19298 4053 1 8 . 1 1 116 116 LYS N N 116 123.210 123.210 126.357 -3.147 19298 4054 1 8 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.410 -0.119 19298 4055 1 8 . 1 1 116 116 LYS C C 116 176.400 176.400 176.538 -0.138 19298 4056 1 8 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.239 0.091 19298 4057 1 8 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.055 -0.345 19298 4058 1 8 . 1 1 116 116 LYS H H 116 8.346 8.346 8.487 -0.141 19298 4059 1 8 . 1 1 117 117 LEU N N 117 122.470 122.470 126.978 -4.508 19298 4060 1 8 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.373 -0.097 19298 4061 1 8 . 1 1 117 117 LEU C C 117 177.080 177.080 177.792 -0.712 19298 4062 1 8 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.720 -1.670 19298 4063 1 8 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.593 -0.383 19298 4064 1 8 . 1 1 117 117 LEU H H 117 8.093 8.093 8.703 -0.610 19298 4065 1 9 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.516 -0.150 19298 4066 1 9 . 1 1 27 27 GLU C C 27 176.230 176.230 174.733 1.497 19298 4067 1 9 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.105 0.135 19298 4068 1 9 . 1 1 27 27 GLU CB C 27 30.720 30.720 31.684 -0.964 19298 4069 1 9 . 1 1 28 28 GLU N N 28 122.500 122.500 120.741 1.759 19298 4070 1 9 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.439 -0.177 19298 4071 1 9 . 1 1 28 28 GLU C C 28 175.860 175.860 175.189 0.671 19298 4072 1 9 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.163 0.197 19298 4073 1 9 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.790 0.720 19298 4074 1 9 . 1 1 28 28 GLU H H 28 8.521 8.521 8.283 0.238 19298 4075 1 9 . 1 1 29 29 GLU N N 29 123.290 123.290 118.882 4.408 19298 4076 1 9 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.064 0.167 19298 4077 1 9 . 1 1 29 29 GLU C C 29 176.740 176.740 175.480 1.260 19298 4078 1 9 . 1 1 29 29 GLU CA C 29 56.360 56.360 56.347 0.013 19298 4079 1 9 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.240 0.600 19298 4080 1 9 . 1 1 29 29 GLU H H 29 8.521 8.521 7.745 0.776 19298 4081 1 9 . 1 1 30 30 VAL N N 30 125.640 125.640 121.606 4.034 19298 4082 1 9 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.130 -0.323 19298 4083 1 9 . 1 1 30 30 VAL C C 30 175.110 175.110 175.267 -0.157 19298 4084 1 9 . 1 1 30 30 VAL CA C 30 65.080 65.080 61.833 3.247 19298 4085 1 9 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.715 -0.385 19298 4086 1 9 . 1 1 30 30 VAL H H 30 8.715 8.715 8.251 0.464 19298 4087 1 9 . 1 1 31 31 ARG N N 31 124.730 124.730 124.247 0.483 19298 4088 1 9 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.590 0.084 19298 4089 1 9 . 1 1 31 31 ARG C C 31 172.600 172.600 175.635 -3.035 19298 4090 1 9 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.622 -1.042 19298 4091 1 9 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.445 -1.695 19298 4092 1 9 . 1 1 31 31 ARG H H 31 9.378 9.378 9.183 0.195 19298 4093 1 9 . 1 1 32 32 THR N N 32 115.380 115.380 118.843 -3.463 19298 4094 1 9 . 1 1 32 32 THR HA H 32 5.471 5.471 5.373 0.098 19298 4095 1 9 . 1 1 32 32 THR C C 32 173.810 173.810 173.264 0.546 19298 4096 1 9 . 1 1 32 32 THR CA C 32 61.250 61.250 62.524 -1.274 19298 4097 1 9 . 1 1 32 32 THR CB C 32 71.360 71.360 70.598 0.762 19298 4098 1 9 . 1 1 32 32 THR H H 32 7.144 7.144 7.838 -0.694 19298 4099 1 9 . 1 1 33 33 LEU N N 33 124.600 124.600 127.798 -3.198 19298 4100 1 9 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.201 -0.274 19298 4101 1 9 . 1 1 33 33 LEU C C 33 174.960 174.960 175.758 -0.798 19298 4102 1 9 . 1 1 33 33 LEU CA C 33 52.890 52.890 54.361 -1.471 19298 4103 1 9 . 1 1 33 33 LEU CB C 33 44.910 44.910 43.535 1.375 19298 4104 1 9 . 1 1 33 33 LEU H H 33 9.701 9.701 9.292 0.409 19298 4105 1 9 . 1 1 34 34 PHE N N 34 122.600 122.600 121.454 1.146 19298 4106 1 9 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.360 -0.271 19298 4107 1 9 . 1 1 34 34 PHE C C 34 174.530 174.530 174.168 0.362 19298 4108 1 9 . 1 1 34 34 PHE CA C 34 55.740 55.740 54.977 0.763 19298 4109 1 9 . 1 1 34 34 PHE CB C 34 41.410 41.410 40.009 1.401 19298 4110 1 9 . 1 1 34 34 PHE H H 34 9.411 9.411 9.301 0.110 19298 4111 1 9 . 1 1 35 35 VAL N N 35 127.050 127.050 128.300 -1.250 19298 4112 1 9 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.415 0.311 19298 4113 1 9 . 1 1 35 35 VAL C C 35 173.520 173.520 175.557 -2.037 19298 4114 1 9 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.878 -1.228 19298 4115 1 9 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.411 1.759 19298 4116 1 9 . 1 1 35 35 VAL H H 35 8.878 8.878 8.796 0.082 19298 4117 1 9 . 1 1 36 36 SER N N 36 120.260 120.260 121.712 -1.452 19298 4118 1 9 . 1 1 36 36 SER HA H 36 4.876 4.876 4.765 0.111 19298 4119 1 9 . 1 1 36 36 SER C C 36 173.170 173.170 174.727 -1.557 19298 4120 1 9 . 1 1 36 36 SER CA C 36 56.700 56.700 56.285 0.415 19298 4121 1 9 . 1 1 36 36 SER CB C 36 65.440 65.440 65.651 -0.211 19298 4122 1 9 . 1 1 36 36 SER H H 36 8.964 8.964 9.083 -0.119 19298 4123 1 9 . 1 1 37 37 GLY N N 37 108.690 108.690 108.617 0.073 19298 4124 1 9 . 1 1 37 37 GLY C C 37 174.150 174.150 172.930 1.220 19298 4125 1 9 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.473 0.057 19298 4126 1 9 . 1 1 37 37 GLY H H 37 8.567 8.567 9.311 -0.744 19298 4127 1 9 . 1 1 38 38 LEU N N 38 118.640 118.640 120.721 -2.081 19298 4128 1 9 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.369 -0.468 19298 4129 1 9 . 1 1 38 38 LEU CA C 38 51.410 51.410 50.996 0.414 19298 4130 1 9 . 1 1 38 38 LEU H H 38 7.426 7.426 7.357 0.069 19298 4131 1 9 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.305 0.245 19298 4132 1 9 . 1 1 39 39 PRO C C 39 177.540 177.540 177.639 -0.099 19298 4133 1 9 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.968 -0.838 19298 4134 1 9 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.286 -0.076 19298 4135 1 9 . 1 1 40 40 VAL N N 40 114.990 114.990 122.289 -7.299 19298 4136 1 9 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.889 -0.205 19298 4137 1 9 . 1 1 40 40 VAL C C 40 175.650 175.650 175.423 0.227 19298 4138 1 9 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.019 0.440 19298 4139 1 9 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.773 -0.044 19298 4140 1 9 . 1 1 40 40 VAL H H 40 8.311 8.311 8.612 -0.301 19298 4141 1 9 . 1 1 41 41 ASP N N 41 117.410 117.410 118.873 -1.463 19298 4142 1 9 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.765 -0.081 19298 4143 1 9 . 1 1 41 41 ASP C C 41 176.140 176.140 175.617 0.523 19298 4144 1 9 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.984 -1.185 19298 4145 1 9 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.943 -1.263 19298 4146 1 9 . 1 1 41 41 ASP H H 41 7.809 7.809 8.022 -0.213 19298 4147 1 9 . 1 1 42 42 ILE N N 42 119.180 119.180 117.425 1.755 19298 4148 1 9 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.522 -0.438 19298 4149 1 9 . 1 1 42 42 ILE C C 42 173.940 173.940 176.287 -2.347 19298 4150 1 9 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.834 -1.064 19298 4151 1 9 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.844 0.896 19298 4152 1 9 . 1 1 42 42 ILE H H 42 7.098 7.098 7.763 -0.665 19298 4153 1 9 . 1 1 43 43 LYS N N 43 126.520 126.520 128.419 -1.899 19298 4154 1 9 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.831 0.162 19298 4155 1 9 . 1 1 43 43 LYS CA C 43 53.600 53.600 53.200 0.400 19298 4156 1 9 . 1 1 43 43 LYS H H 43 8.963 8.963 9.218 -0.255 19298 4157 1 9 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.279 -0.179 19298 4158 1 9 . 1 1 44 44 PRO C C 44 180.110 180.110 177.992 2.118 19298 4159 1 9 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.501 1.189 19298 4160 1 9 . 1 1 44 44 PRO CB C 44 31.810 31.810 32.085 -0.275 19298 4161 1 9 . 1 1 45 45 ARG N N 45 115.440 115.440 117.023 -1.583 19298 4162 1 9 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.217 0.026 19298 4163 1 9 . 1 1 45 45 ARG C C 45 176.200 176.200 178.353 -2.153 19298 4164 1 9 . 1 1 45 45 ARG CA C 45 58.550 58.550 59.084 -0.534 19298 4165 1 9 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.213 1.207 19298 4166 1 9 . 1 1 45 45 ARG H H 45 8.922 8.922 8.815 0.107 19298 4167 1 9 . 1 1 46 46 GLU N N 46 119.720 119.720 120.905 -1.185 19298 4168 1 9 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.187 -0.149 19298 4169 1 9 . 1 1 46 46 GLU C C 46 178.820 178.820 179.247 -0.427 19298 4170 1 9 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.172 1.038 19298 4171 1 9 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.625 1.254 19298 4172 1 9 . 1 1 46 46 GLU H H 46 8.340 8.340 8.158 0.182 19298 4173 1 9 . 1 1 47 47 LEU N N 47 115.570 115.570 120.316 -4.746 19298 4174 1 9 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.155 0.218 19298 4175 1 9 . 1 1 47 47 LEU C C 47 178.380 178.380 178.860 -0.480 19298 4176 1 9 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.924 -0.404 19298 4177 1 9 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.754 -0.074 19298 4178 1 9 . 1 1 47 47 LEU H H 47 7.196 7.196 7.665 -0.469 19298 4179 1 9 . 1 1 48 48 TYR N N 48 119.670 119.670 120.860 -1.190 19298 4180 1 9 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.074 0.135 19298 4181 1 9 . 1 1 48 48 TYR C C 48 176.380 176.380 177.356 -0.976 19298 4182 1 9 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.182 -1.552 19298 4183 1 9 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.613 -1.983 19298 4184 1 9 . 1 1 48 48 TYR H H 48 6.816 6.816 8.187 -1.371 19298 4185 1 9 . 1 1 49 49 LEU N N 49 118.190 118.190 117.084 1.106 19298 4186 1 9 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.961 -0.759 19298 4187 1 9 . 1 1 49 49 LEU C C 49 179.030 179.030 179.359 -0.329 19298 4188 1 9 . 1 1 49 49 LEU CA C 49 57.740 57.740 56.969 0.771 19298 4189 1 9 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.796 1.434 19298 4190 1 9 . 1 1 49 49 LEU H H 49 8.129 8.129 8.060 0.069 19298 4191 1 9 . 1 1 50 50 LEU N N 50 117.130 117.130 121.770 -4.640 19298 4192 1 9 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.924 -0.214 19298 4193 1 9 . 1 1 50 50 LEU C C 50 176.420 176.420 177.671 -1.251 19298 4194 1 9 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.938 -0.648 19298 4195 1 9 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.160 0.480 19298 4196 1 9 . 1 1 50 50 LEU H H 50 7.543 7.543 7.941 -0.398 19298 4197 1 9 . 1 1 51 51 PHE N N 51 110.420 110.420 114.872 -4.452 19298 4198 1 9 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.627 0.033 19298 4199 1 9 . 1 1 51 51 PHE C C 51 175.110 175.110 177.686 -2.576 19298 4200 1 9 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.088 1.552 19298 4201 1 9 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.026 2.224 19298 4202 1 9 . 1 1 51 51 PHE H H 51 7.439 7.439 8.232 -0.793 19298 4203 1 9 . 1 1 52 52 ARG N N 52 120.680 120.680 122.873 -2.193 19298 4204 1 9 . 1 1 52 52 ARG HA H 52 3.743 3.743 3.924 -0.181 19298 4205 1 9 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.951 -1.031 19298 4206 1 9 . 1 1 52 52 ARG H H 52 7.865 7.865 7.449 0.416 19298 4207 1 9 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.433 -0.231 19298 4208 1 9 . 1 1 53 53 PRO C C 53 176.600 176.600 176.233 0.367 19298 4209 1 9 . 1 1 53 53 PRO CA C 53 64.540 64.540 62.856 1.684 19298 4210 1 9 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.645 -0.685 19298 4211 1 9 . 1 1 54 54 PHE N N 54 117.470 117.470 121.817 -4.347 19298 4212 1 9 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.662 -0.406 19298 4213 1 9 . 1 1 54 54 PHE C C 54 175.500 175.500 175.114 0.386 19298 4214 1 9 . 1 1 54 54 PHE CA C 54 59.200 59.200 57.135 2.065 19298 4215 1 9 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.631 0.049 19298 4216 1 9 . 1 1 54 54 PHE H H 54 7.943 7.943 7.828 0.115 19298 4217 1 9 . 1 1 55 55 LYS N N 55 126.460 126.460 126.462 -0.002 19298 4218 1 9 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.207 -0.054 19298 4219 1 9 . 1 1 55 55 LYS C C 55 177.900 177.900 176.667 1.233 19298 4220 1 9 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.500 0.540 19298 4221 1 9 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.952 0.578 19298 4222 1 9 . 1 1 55 55 LYS H H 55 8.571 8.571 8.296 0.275 19298 4223 1 9 . 1 1 56 56 GLY N N 56 112.780 112.780 111.529 1.251 19298 4224 1 9 . 1 1 56 56 GLY C C 56 174.830 174.830 173.421 1.409 19298 4225 1 9 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.659 0.491 19298 4226 1 9 . 1 1 56 56 GLY H H 56 9.045 9.045 8.275 0.770 19298 4227 1 9 . 1 1 57 57 TYR N N 57 121.700 121.700 123.149 -1.449 19298 4228 1 9 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.082 -0.006 19298 4229 1 9 . 1 1 57 57 TYR C C 57 175.260 175.260 174.877 0.383 19298 4230 1 9 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.127 0.523 19298 4231 1 9 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.537 0.653 19298 4232 1 9 . 1 1 57 57 TYR H H 57 7.560 7.560 7.114 0.446 19298 4233 1 9 . 1 1 58 58 GLU N N 58 128.500 128.500 128.098 0.402 19298 4234 1 9 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.166 0.102 19298 4235 1 9 . 1 1 58 58 GLU C C 58 175.700 175.700 175.726 -0.026 19298 4236 1 9 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.023 -0.683 19298 4237 1 9 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.149 0.581 19298 4238 1 9 . 1 1 58 58 GLU H H 58 8.356 8.356 8.619 -0.263 19298 4239 1 9 . 1 1 59 59 GLY N N 59 104.920 104.920 106.440 -1.520 19298 4240 1 9 . 1 1 59 59 GLY C C 59 170.310 170.310 172.205 -1.895 19298 4241 1 9 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.911 0.619 19298 4242 1 9 . 1 1 59 59 GLY H H 59 6.411 6.411 7.343 -0.932 19298 4243 1 9 . 1 1 60 60 SER N N 60 110.020 110.020 115.864 -5.844 19298 4244 1 9 . 1 1 60 60 SER HA H 60 5.468 5.468 5.439 0.029 19298 4245 1 9 . 1 1 60 60 SER C C 60 172.470 172.470 173.757 -1.287 19298 4246 1 9 . 1 1 60 60 SER CA C 60 57.170 57.170 56.821 0.349 19298 4247 1 9 . 1 1 60 60 SER CB C 60 66.610 66.610 66.122 0.488 19298 4248 1 9 . 1 1 60 60 SER H H 60 8.280 8.280 8.497 -0.217 19298 4249 1 9 . 1 1 61 61 LEU N N 61 118.490 118.490 125.931 -7.441 19298 4250 1 9 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.832 -0.089 19298 4251 1 9 . 1 1 61 61 LEU C C 61 174.600 174.600 175.477 -0.877 19298 4252 1 9 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.716 0.964 19298 4253 1 9 . 1 1 61 61 LEU CB C 61 45.380 45.380 43.288 2.092 19298 4254 1 9 . 1 1 61 61 LEU H H 61 8.953 8.953 9.095 -0.142 19298 4255 1 9 . 1 1 62 62 ILE N N 62 120.760 120.760 121.793 -1.033 19298 4256 1 9 . 1 1 62 62 ILE HA H 62 4.917 4.917 5.196 -0.279 19298 4257 1 9 . 1 1 62 62 ILE C C 62 175.600 175.600 175.413 0.187 19298 4258 1 9 . 1 1 62 62 ILE CA C 62 59.490 59.490 58.529 0.961 19298 4259 1 9 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.582 1.338 19298 4260 1 9 . 1 1 62 62 ILE H H 62 8.639 8.639 8.588 0.051 19298 4261 1 9 . 1 1 63 63 LYS N N 63 127.240 127.240 127.940 -0.700 19298 4262 1 9 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.629 0.073 19298 4263 1 9 . 1 1 63 63 LYS C C 63 174.700 174.700 175.318 -0.618 19298 4264 1 9 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.416 0.134 19298 4265 1 9 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.579 0.911 19298 4266 1 9 . 1 1 63 63 LYS H H 63 9.145 9.145 8.980 0.165 19298 4267 1 9 . 1 1 64 64 LEU N N 64 124.700 124.700 128.167 -3.467 19298 4268 1 9 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.261 0.441 19298 4269 1 9 . 1 1 64 64 LEU C C 64 177.470 177.470 175.926 1.544 19298 4270 1 9 . 1 1 64 64 LEU CA C 64 54.590 54.590 56.268 -1.678 19298 4271 1 9 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.542 0.877 19298 4272 1 9 . 1 1 64 64 LEU H H 64 8.648 8.648 8.882 -0.234 19298 4273 1 9 . 1 1 65 65 THR N N 65 116.860 116.860 122.222 -5.362 19298 4274 1 9 . 1 1 65 65 THR HA H 65 4.521 4.521 4.577 -0.056 19298 4275 1 9 . 1 1 65 65 THR C C 65 174.160 174.160 173.752 0.408 19298 4276 1 9 . 1 1 65 65 THR CA C 65 60.990 60.990 60.146 0.844 19298 4277 1 9 . 1 1 65 65 THR CB C 65 70.630 70.630 71.123 -0.493 19298 4278 1 9 . 1 1 65 65 THR H H 65 8.330 8.330 7.432 0.898 19298 4279 1 9 . 1 1 66 66 ALA N N 66 127.310 127.310 125.839 1.471 19298 4280 1 9 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.153 0.017 19298 4281 1 9 . 1 1 66 66 ALA C C 66 177.060 177.060 178.468 -1.408 19298 4282 1 9 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.471 -0.881 19298 4283 1 9 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.838 -0.778 19298 4284 1 9 . 1 1 66 66 ALA H H 66 8.834 8.834 8.581 0.253 19298 4285 1 9 . 1 1 67 67 ARG N N 67 113.660 113.660 116.201 -2.541 19298 4286 1 9 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.350 -0.286 19298 4287 1 9 . 1 1 67 67 ARG C C 67 175.400 175.400 175.275 0.125 19298 4288 1 9 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.570 0.740 19298 4289 1 9 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.452 -1.682 19298 4290 1 9 . 1 1 67 67 ARG H H 67 8.335 8.335 8.384 -0.049 19298 4291 1 9 . 1 1 68 68 GLN N N 68 118.790 118.790 116.545 2.245 19298 4292 1 9 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.855 -0.040 19298 4293 1 9 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.296 0.984 19298 4294 1 9 . 1 1 68 68 GLN H H 68 7.832 7.832 7.539 0.293 19298 4295 1 9 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.633 0.213 19298 4296 1 9 . 1 1 69 69 PRO C C 69 175.480 175.480 176.641 -1.161 19298 4297 1 9 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.641 0.259 19298 4298 1 9 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.524 0.926 19298 4299 1 9 . 1 1 70 70 VAL N N 70 117.700 117.700 120.592 -2.892 19298 4300 1 9 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.170 0.372 19298 4301 1 9 . 1 1 70 70 VAL C C 70 174.470 174.470 175.716 -1.246 19298 4302 1 9 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.997 -0.957 19298 4303 1 9 . 1 1 70 70 VAL CB C 70 34.920 34.920 31.769 3.151 19298 4304 1 9 . 1 1 70 70 VAL H H 70 8.722 8.722 8.308 0.414 19298 4305 1 9 . 1 1 71 71 GLY N N 71 107.930 107.930 112.929 -4.999 19298 4306 1 9 . 1 1 71 71 GLY C C 71 171.000 171.000 172.683 -1.683 19298 4307 1 9 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.611 0.379 19298 4308 1 9 . 1 1 71 71 GLY H H 71 8.716 8.716 8.710 0.006 19298 4309 1 9 . 1 1 72 72 PHE N N 72 119.400 119.400 126.600 -7.200 19298 4310 1 9 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.301 0.334 19298 4311 1 9 . 1 1 72 72 PHE C C 72 175.350 175.350 175.429 -0.079 19298 4312 1 9 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.544 -0.714 19298 4313 1 9 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.389 2.721 19298 4314 1 9 . 1 1 72 72 PHE H H 72 8.934 8.934 9.291 -0.357 19298 4315 1 9 . 1 1 73 73 VAL N N 73 122.000 122.000 125.104 -3.104 19298 4316 1 9 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.608 -0.045 19298 4317 1 9 . 1 1 73 73 VAL C C 73 172.930 172.930 175.263 -2.333 19298 4318 1 9 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.771 -1.011 19298 4319 1 9 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.228 2.342 19298 4320 1 9 . 1 1 73 73 VAL H H 73 8.934 8.934 9.235 -0.301 19298 4321 1 9 . 1 1 74 74 ILE N N 74 128.000 128.000 128.546 -0.546 19298 4322 1 9 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.926 -0.059 19298 4323 1 9 . 1 1 74 74 ILE C C 74 173.700 173.700 175.221 -1.521 19298 4324 1 9 . 1 1 74 74 ILE CA C 74 60.880 60.880 60.613 0.267 19298 4325 1 9 . 1 1 74 74 ILE CB C 74 33.400 33.400 38.897 -5.497 19298 4326 1 9 . 1 1 74 74 ILE H H 74 8.702 8.702 9.157 -0.455 19298 4327 1 9 . 1 1 75 75 PHE N N 75 125.200 125.200 127.253 -2.053 19298 4328 1 9 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.154 -0.007 19298 4329 1 9 . 1 1 75 75 PHE C C 75 175.880 175.880 176.316 -0.436 19298 4330 1 9 . 1 1 75 75 PHE CA C 75 56.220 56.220 56.854 -0.634 19298 4331 1 9 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.987 2.693 19298 4332 1 9 . 1 1 75 75 PHE H H 75 8.200 8.200 9.462 -1.262 19298 4333 1 9 . 1 1 76 76 ASP N N 76 119.150 119.150 120.858 -1.708 19298 4334 1 9 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.550 -0.273 19298 4335 1 9 . 1 1 76 76 ASP C C 76 176.020 176.020 175.505 0.515 19298 4336 1 9 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.130 -0.550 19298 4337 1 9 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.718 -1.198 19298 4338 1 9 . 1 1 76 76 ASP H H 76 9.400 9.400 8.684 0.716 19298 4339 1 9 . 1 1 77 77 SER N N 77 111.280 111.280 110.326 0.954 19298 4340 1 9 . 1 1 77 77 SER HA H 77 4.683 4.683 5.069 -0.386 19298 4341 1 9 . 1 1 77 77 SER C C 77 173.670 173.670 174.783 -1.113 19298 4342 1 9 . 1 1 77 77 SER CA C 77 56.620 56.620 56.831 -0.211 19298 4343 1 9 . 1 1 77 77 SER CB C 77 66.470 66.470 66.294 0.176 19298 4344 1 9 . 1 1 77 77 SER H H 77 7.804 7.804 7.632 0.172 19298 4345 1 9 . 1 1 78 78 ARG N N 78 125.240 125.240 123.777 1.463 19298 4346 1 9 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.262 -0.232 19298 4347 1 9 . 1 1 78 78 ARG C C 78 177.710 177.710 178.101 -0.391 19298 4348 1 9 . 1 1 78 78 ARG CA C 78 59.870 59.870 59.166 0.704 19298 4349 1 9 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.563 0.237 19298 4350 1 9 . 1 1 78 78 ARG H H 78 9.348 9.348 9.262 0.086 19298 4351 1 9 . 1 1 79 79 ALA N N 79 120.700 120.700 121.197 -0.497 19298 4352 1 9 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.266 -0.066 19298 4353 1 9 . 1 1 79 79 ALA C C 79 181.360 181.360 179.164 2.196 19298 4354 1 9 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.341 0.939 19298 4355 1 9 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.337 -0.187 19298 4356 1 9 . 1 1 79 79 ALA H H 79 8.660 8.660 8.656 0.004 19298 4357 1 9 . 1 1 80 80 GLY N N 80 107.500 107.500 105.944 1.556 19298 4358 1 9 . 1 1 80 80 GLY C C 80 175.710 175.710 175.633 0.077 19298 4359 1 9 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.888 0.902 19298 4360 1 9 . 1 1 80 80 GLY H H 80 8.161 8.161 7.605 0.556 19298 4361 1 9 . 1 1 81 81 ALA N N 81 124.650 124.650 125.485 -0.835 19298 4362 1 9 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.285 -0.709 19298 4363 1 9 . 1 1 81 81 ALA C C 81 178.570 178.570 179.172 -0.602 19298 4364 1 9 . 1 1 81 81 ALA CA C 81 54.220 54.220 55.016 -0.795 19298 4365 1 9 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.629 -0.449 19298 4366 1 9 . 1 1 81 81 ALA H H 81 7.298 7.298 8.189 -0.891 19298 4367 1 9 . 1 1 82 82 GLU N N 82 118.890 118.890 117.575 1.315 19298 4368 1 9 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.899 -0.168 19298 4369 1 9 . 1 1 82 82 GLU C C 82 177.800 177.800 178.406 -0.606 19298 4370 1 9 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.170 0.390 19298 4371 1 9 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.398 0.462 19298 4372 1 9 . 1 1 82 82 GLU H H 82 8.930 8.930 8.861 0.069 19298 4373 1 9 . 1 1 83 83 ALA N N 83 119.410 119.410 121.889 -2.479 19298 4374 1 9 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.252 -0.135 19298 4375 1 9 . 1 1 83 83 ALA C C 83 180.810 180.810 179.537 1.273 19298 4376 1 9 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.337 0.553 19298 4377 1 9 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.108 0.042 19298 4378 1 9 . 1 1 83 83 ALA H H 83 7.572 7.572 7.504 0.068 19298 4379 1 9 . 1 1 84 84 ALA N N 84 120.280 120.280 121.377 -1.097 19298 4380 1 9 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.396 -1.256 19298 4381 1 9 . 1 1 84 84 ALA C C 84 178.010 178.010 179.484 -1.474 19298 4382 1 9 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.392 -0.662 19298 4383 1 9 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.542 0.168 19298 4384 1 9 . 1 1 84 84 ALA H H 84 6.950 6.950 8.123 -1.173 19298 4385 1 9 . 1 1 85 85 LYS N N 85 118.040 118.040 117.119 0.921 19298 4386 1 9 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.909 -0.321 19298 4387 1 9 . 1 1 85 85 LYS C C 85 177.700 177.700 178.574 -0.874 19298 4388 1 9 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.222 0.338 19298 4389 1 9 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.983 0.107 19298 4390 1 9 . 1 1 85 85 LYS H H 85 8.042 8.042 8.050 -0.008 19298 4391 1 9 . 1 1 86 86 ASN N N 86 114.630 114.630 117.983 -3.353 19298 4392 1 9 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.633 -0.160 19298 4393 1 9 . 1 1 86 86 ASN C C 86 177.320 177.320 176.678 0.642 19298 4394 1 9 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.161 -0.091 19298 4395 1 9 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.023 -0.033 19298 4396 1 9 . 1 1 86 86 ASN H H 86 8.087 8.087 7.772 0.315 19298 4397 1 9 . 1 1 87 87 ALA N N 87 120.200 120.200 121.296 -1.096 19298 4398 1 9 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.218 0.089 19298 4399 1 9 . 1 1 87 87 ALA C C 87 179.630 179.630 178.490 1.140 19298 4400 1 9 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.285 0.015 19298 4401 1 9 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.552 0.628 19298 4402 1 9 . 1 1 87 87 ALA H H 87 7.557 7.557 7.725 -0.168 19298 4403 1 9 . 1 1 88 88 LEU N N 88 114.210 114.210 117.057 -2.847 19298 4404 1 9 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.399 0.014 19298 4405 1 9 . 1 1 88 88 LEU C C 88 176.580 176.580 176.394 0.186 19298 4406 1 9 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.423 -0.013 19298 4407 1 9 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.118 2.212 19298 4408 1 9 . 1 1 88 88 LEU H H 88 7.561 7.561 7.630 -0.069 19298 4409 1 9 . 1 1 89 89 ASN N N 89 117.970 117.970 118.016 -0.046 19298 4410 1 9 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.620 -0.364 19298 4411 1 9 . 1 1 89 89 ASN C C 89 177.700 177.700 176.379 1.321 19298 4412 1 9 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.072 2.918 19298 4413 1 9 . 1 1 89 89 ASN CB C 89 38.570 38.570 37.671 0.899 19298 4414 1 9 . 1 1 89 89 ASN H H 89 7.550 7.550 7.721 -0.171 19298 4415 1 9 . 1 1 90 90 GLY N N 90 112.220 112.220 112.561 -0.341 19298 4416 1 9 . 1 1 90 90 GLY C C 90 174.360 174.360 173.316 1.044 19298 4417 1 9 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.948 0.812 19298 4418 1 9 . 1 1 90 90 GLY H H 90 8.734 8.734 9.025 -0.291 19298 4419 1 9 . 1 1 91 91 ILE N N 91 115.840 115.840 120.783 -4.943 19298 4420 1 9 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.426 0.050 19298 4421 1 9 . 1 1 91 91 ILE C C 91 175.940 175.940 173.953 1.987 19298 4422 1 9 . 1 1 91 91 ILE CA C 91 60.520 60.520 58.897 1.623 19298 4423 1 9 . 1 1 91 91 ILE CB C 91 39.020 39.020 40.896 -1.876 19298 4424 1 9 . 1 1 91 91 ILE H H 91 7.518 7.518 7.340 0.178 19298 4425 1 9 . 1 1 92 92 ARG N N 92 120.160 120.160 126.864 -6.704 19298 4426 1 9 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.497 -0.020 19298 4427 1 9 . 1 1 92 92 ARG C C 92 175.840 175.840 175.486 0.354 19298 4428 1 9 . 1 1 92 92 ARG CA C 92 56.660 56.660 55.831 0.829 19298 4429 1 9 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.377 0.173 19298 4430 1 9 . 1 1 92 92 ARG H H 92 8.461 8.461 8.464 -0.003 19298 4431 1 9 . 1 1 93 93 PHE N N 93 126.780 126.780 124.044 2.736 19298 4432 1 9 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.232 -0.175 19298 4433 1 9 . 1 1 93 93 PHE C C 93 171.620 171.620 175.366 -3.746 19298 4434 1 9 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.406 0.604 19298 4435 1 9 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.736 0.744 19298 4436 1 9 . 1 1 93 93 PHE H H 93 8.443 8.443 8.898 -0.455 19298 4437 1 9 . 1 1 94 94 ASP N N 94 110.650 110.650 117.182 -6.532 19298 4438 1 9 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.969 -0.100 19298 4439 1 9 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.494 -2.964 19298 4440 1 9 . 1 1 94 94 ASP H H 94 7.860 7.860 7.996 -0.136 19298 4441 1 9 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.323 -0.476 19298 4442 1 9 . 1 1 95 95 PRO C C 95 177.650 177.650 176.657 0.993 19298 4443 1 9 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.136 -0.846 19298 4444 1 9 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.096 -0.006 19298 4445 1 9 . 1 1 96 96 GLU N N 96 115.270 115.270 116.520 -1.250 19298 4446 1 9 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.334 -0.109 19298 4447 1 9 . 1 1 96 96 GLU C C 96 175.310 175.310 176.206 -0.896 19298 4448 1 9 . 1 1 96 96 GLU CA C 96 56.170 56.170 55.878 0.292 19298 4449 1 9 . 1 1 96 96 GLU CB C 96 30.000 30.000 30.759 -0.759 19298 4450 1 9 . 1 1 96 96 GLU H H 96 7.944 7.944 8.505 -0.561 19298 4451 1 9 . 1 1 97 97 ASN N N 97 121.610 121.610 119.157 2.453 19298 4452 1 9 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.010 0.192 19298 4453 1 9 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.606 -0.746 19298 4454 1 9 . 1 1 97 97 ASN H H 97 8.190 8.190 7.759 0.431 19298 4455 1 9 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.407 -0.238 19298 4456 1 9 . 1 1 98 98 PRO C C 98 176.940 176.940 176.136 0.804 19298 4457 1 9 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.357 -0.067 19298 4458 1 9 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.730 0.480 19298 4459 1 9 . 1 1 99 99 GLN N N 99 120.230 120.230 120.895 -0.665 19298 4460 1 9 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.453 -0.270 19298 4461 1 9 . 1 1 99 99 GLN C C 99 176.660 176.660 174.532 2.128 19298 4462 1 9 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.143 1.937 19298 4463 1 9 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.790 -0.800 19298 4464 1 9 . 1 1 99 99 GLN H H 99 8.174 8.174 8.104 0.070 19298 4465 1 9 . 1 1 100 100 THR N N 100 117.080 117.080 115.404 1.676 19298 4466 1 9 . 1 1 100 100 THR HA H 100 4.784 4.784 4.489 0.295 19298 4467 1 9 . 1 1 100 100 THR C C 100 174.540 174.540 173.627 0.913 19298 4468 1 9 . 1 1 100 100 THR CA C 100 59.870 59.870 60.476 -0.606 19298 4469 1 9 . 1 1 100 100 THR CB C 100 71.920 71.920 70.254 1.667 19298 4470 1 9 . 1 1 100 100 THR H H 100 8.241 8.241 8.414 -0.173 19298 4471 1 9 . 1 1 101 101 LEU N N 101 120.720 120.720 126.422 -5.702 19298 4472 1 9 . 1 1 101 101 LEU HA H 101 4.639 4.639 4.964 -0.325 19298 4473 1 9 . 1 1 101 101 LEU C C 101 177.930 177.930 175.019 2.911 19298 4474 1 9 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.307 0.353 19298 4475 1 9 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.158 0.321 19298 4476 1 9 . 1 1 101 101 LEU H H 101 8.809 8.809 9.068 -0.259 19298 4477 1 9 . 1 1 102 102 ARG N N 102 124.040 124.040 126.913 -2.873 19298 4478 1 9 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.647 0.324 19298 4479 1 9 . 1 1 102 102 ARG C C 102 174.500 174.500 173.284 1.216 19298 4480 1 9 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.852 -0.142 19298 4481 1 9 . 1 1 102 102 ARG CB C 102 32.000 32.000 33.581 -1.581 19298 4482 1 9 . 1 1 102 102 ARG H H 102 8.327 8.327 9.088 -0.761 19298 4483 1 9 . 1 1 103 103 LEU N N 103 125.780 125.780 127.894 -2.114 19298 4484 1 9 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.949 0.421 19298 4485 1 9 . 1 1 103 103 LEU C C 103 174.660 174.660 175.810 -1.150 19298 4486 1 9 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.965 0.695 19298 4487 1 9 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.399 1.381 19298 4488 1 9 . 1 1 103 103 LEU H H 103 8.825 8.825 8.618 0.207 19298 4489 1 9 . 1 1 104 104 GLU N N 104 119.100 119.100 120.422 -1.322 19298 4490 1 9 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.357 0.152 19298 4491 1 9 . 1 1 104 104 GLU C C 104 175.110 175.110 174.999 0.111 19298 4492 1 9 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.551 -0.111 19298 4493 1 9 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.417 0.603 19298 4494 1 9 . 1 1 104 104 GLU H H 104 8.348 8.348 8.128 0.220 19298 4495 1 9 . 1 1 105 105 PHE N N 105 121.070 121.070 119.672 1.398 19298 4496 1 9 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.732 -0.121 19298 4497 1 9 . 1 1 105 105 PHE C C 105 177.060 177.060 176.852 0.208 19298 4498 1 9 . 1 1 105 105 PHE CA C 105 61.190 61.190 56.253 4.937 19298 4499 1 9 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.881 -0.701 19298 4500 1 9 . 1 1 105 105 PHE H H 105 9.227 9.227 8.528 0.699 19298 4501 1 9 . 1 1 106 106 ALA N N 106 124.890 124.890 127.483 -2.593 19298 4502 1 9 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.658 -0.233 19298 4503 1 9 . 1 1 106 106 ALA C C 106 175.860 175.860 176.710 -0.850 19298 4504 1 9 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.068 -0.788 19298 4505 1 9 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.125 -0.375 19298 4506 1 9 . 1 1 106 106 ALA H H 106 9.567 9.567 8.654 0.913 19298 4507 1 9 . 1 1 107 107 LYS N N 107 117.510 117.510 120.298 -2.788 19298 4508 1 9 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.303 -0.131 19298 4509 1 9 . 1 1 107 107 LYS C C 107 176.060 176.060 175.328 0.732 19298 4510 1 9 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.016 0.135 19298 4511 1 9 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.481 0.019 19298 4512 1 9 . 1 1 107 107 LYS H H 107 8.581 8.581 8.557 0.024 19298 4513 1 9 . 1 1 108 108 ALA N N 108 118.700 118.700 121.394 -2.694 19298 4514 1 9 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.499 -0.125 19298 4515 1 9 . 1 1 108 108 ALA C C 108 176.650 176.650 176.093 0.557 19298 4516 1 9 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.376 -0.506 19298 4517 1 9 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.244 0.276 19298 4518 1 9 . 1 1 108 108 ALA H H 108 7.731 7.731 7.630 0.101 19298 4519 1 9 . 1 1 109 109 ASN N N 109 116.530 116.530 122.566 -6.036 19298 4520 1 9 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.676 0.297 19298 4521 1 9 . 1 1 109 109 ASN C C 109 175.940 175.940 174.902 1.038 19298 4522 1 9 . 1 1 109 109 ASN CA C 109 53.130 53.130 52.862 0.268 19298 4523 1 9 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.559 0.112 19298 4524 1 9 . 1 1 109 109 ASN H H 109 8.936 8.936 8.482 0.454 19298 4525 1 9 . 1 1 110 110 THR N N 110 116.260 116.260 119.897 -3.637 19298 4526 1 9 . 1 1 110 110 THR HA H 110 4.153 4.153 4.344 -0.191 19298 4527 1 9 . 1 1 110 110 THR C C 110 173.240 173.240 174.079 -0.839 19298 4528 1 9 . 1 1 110 110 THR CA C 110 61.990 61.990 61.917 0.073 19298 4529 1 9 . 1 1 110 110 THR CB C 110 69.830 69.830 69.824 0.006 19298 4530 1 9 . 1 1 110 110 THR H H 110 7.437 7.437 8.540 -1.103 19298 4531 1 9 . 1 1 111 111 LYS N N 111 124.500 124.500 125.770 -1.270 19298 4532 1 9 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.341 -0.094 19298 4533 1 9 . 1 1 111 111 LYS C C 111 176.140 176.140 175.974 0.166 19298 4534 1 9 . 1 1 111 111 LYS CA C 111 55.930 55.930 56.254 -0.324 19298 4535 1 9 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.673 0.027 19298 4536 1 9 . 1 1 111 111 LYS H H 111 8.248 8.248 8.597 -0.349 19298 4537 1 9 . 1 1 112 112 MET N N 112 122.000 122.000 124.796 -2.796 19298 4538 1 9 . 1 1 112 112 MET HA H 112 4.408 4.408 4.351 0.057 19298 4539 1 9 . 1 1 112 112 MET C C 112 175.550 175.550 175.668 -0.118 19298 4540 1 9 . 1 1 112 112 MET CA C 112 54.780 54.780 56.092 -1.312 19298 4541 1 9 . 1 1 112 112 MET CB C 112 33.280 33.280 33.204 0.076 19298 4542 1 9 . 1 1 112 112 MET H H 112 8.290 8.290 9.038 -0.748 19298 4543 1 9 . 1 1 113 113 ALA N N 113 125.150 125.150 123.056 2.094 19298 4544 1 9 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.460 -0.204 19298 4545 1 9 . 1 1 113 113 ALA C C 113 177.580 177.580 175.702 1.878 19298 4546 1 9 . 1 1 113 113 ALA CA C 113 52.470 52.470 52.020 0.450 19298 4547 1 9 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.039 0.101 19298 4548 1 9 . 1 1 113 113 ALA H H 113 8.213 8.213 7.945 0.268 19298 4549 1 9 . 1 1 114 114 LYS N N 114 120.740 120.740 121.872 -1.132 19298 4550 1 9 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.463 -0.207 19298 4551 1 9 . 1 1 114 114 LYS C C 114 176.790 176.790 176.144 0.646 19298 4552 1 9 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.879 0.461 19298 4553 1 9 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.301 -0.431 19298 4554 1 9 . 1 1 114 114 LYS H H 114 8.261 8.261 7.900 0.361 19298 4555 1 9 . 1 1 115 115 SER N N 115 116.780 116.780 120.412 -3.632 19298 4556 1 9 . 1 1 115 115 SER HA H 115 4.393 4.393 4.432 -0.039 19298 4557 1 9 . 1 1 115 115 SER C C 115 174.710 174.710 174.524 0.186 19298 4558 1 9 . 1 1 115 115 SER CA C 115 58.410 58.410 58.454 -0.044 19298 4559 1 9 . 1 1 115 115 SER CB C 115 63.870 63.870 63.143 0.727 19298 4560 1 9 . 1 1 115 115 SER H H 115 8.268 8.268 8.698 -0.430 19298 4561 1 9 . 1 1 116 116 LYS N N 116 123.210 123.210 128.017 -4.807 19298 4562 1 9 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.406 -0.115 19298 4563 1 9 . 1 1 116 116 LYS C C 116 176.400 176.400 175.062 1.338 19298 4564 1 9 . 1 1 116 116 LYS CA C 116 56.330 56.330 55.083 1.247 19298 4565 1 9 . 1 1 116 116 LYS CB C 116 32.710 32.710 31.373 1.337 19298 4566 1 9 . 1 1 116 116 LYS H H 116 8.346 8.346 8.426 -0.080 19298 4567 1 9 . 1 1 117 117 LEU N N 117 122.470 122.470 124.714 -2.244 19298 4568 1 9 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.492 -0.216 19298 4569 1 9 . 1 1 117 117 LEU C C 117 177.080 177.080 176.141 0.939 19298 4570 1 9 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.226 -0.176 19298 4571 1 9 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.757 -0.547 19298 4572 1 9 . 1 1 117 117 LEU H H 117 8.093 8.093 7.860 0.233 19298 4573 1 10 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.476 -0.110 19298 4574 1 10 . 1 1 27 27 GLU C C 27 176.230 176.230 176.004 0.226 19298 4575 1 10 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.687 -0.447 19298 4576 1 10 . 1 1 27 27 GLU CB C 27 30.720 30.720 32.144 -1.424 19298 4577 1 10 . 1 1 28 28 GLU N N 28 122.500 122.500 121.627 0.873 19298 4578 1 10 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.523 -0.261 19298 4579 1 10 . 1 1 28 28 GLU C C 28 175.860 175.860 174.842 1.018 19298 4580 1 10 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.151 0.209 19298 4581 1 10 . 1 1 28 28 GLU CB C 28 30.510 30.510 31.092 -0.582 19298 4582 1 10 . 1 1 28 28 GLU H H 28 8.521 8.521 8.245 0.276 19298 4583 1 10 . 1 1 29 29 GLU N N 29 123.290 123.290 123.777 -0.487 19298 4584 1 10 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.355 -0.124 19298 4585 1 10 . 1 1 29 29 GLU C C 29 176.740 176.740 175.639 1.101 19298 4586 1 10 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.636 0.724 19298 4587 1 10 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.462 0.378 19298 4588 1 10 . 1 1 29 29 GLU H H 29 8.521 8.521 8.499 0.022 19298 4589 1 10 . 1 1 30 30 VAL N N 30 125.640 125.640 123.458 2.182 19298 4590 1 10 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.077 -0.270 19298 4591 1 10 . 1 1 30 30 VAL C C 30 175.110 175.110 175.890 -0.780 19298 4592 1 10 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.797 2.283 19298 4593 1 10 . 1 1 30 30 VAL CB C 30 31.330 31.330 30.663 0.667 19298 4594 1 10 . 1 1 30 30 VAL H H 30 8.715 8.715 8.436 0.279 19298 4595 1 10 . 1 1 31 31 ARG N N 31 124.730 124.730 124.812 -0.082 19298 4596 1 10 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.746 -0.072 19298 4597 1 10 . 1 1 31 31 ARG C C 31 172.600 172.600 176.059 -3.459 19298 4598 1 10 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.915 -1.335 19298 4599 1 10 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.905 -2.155 19298 4600 1 10 . 1 1 31 31 ARG H H 31 9.378 9.378 9.473 -0.095 19298 4601 1 10 . 1 1 32 32 THR N N 32 115.380 115.380 118.760 -3.380 19298 4602 1 10 . 1 1 32 32 THR HA H 32 5.471 5.471 5.679 -0.208 19298 4603 1 10 . 1 1 32 32 THR C C 32 173.810 173.810 173.751 0.059 19298 4604 1 10 . 1 1 32 32 THR CA C 32 61.250 61.250 62.738 -1.488 19298 4605 1 10 . 1 1 32 32 THR CB C 32 71.360 71.360 71.004 0.356 19298 4606 1 10 . 1 1 32 32 THR H H 32 7.144 7.144 8.132 -0.988 19298 4607 1 10 . 1 1 33 33 LEU N N 33 124.600 124.600 123.012 1.588 19298 4608 1 10 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.276 -0.349 19298 4609 1 10 . 1 1 33 33 LEU C C 33 174.960 174.960 174.354 0.606 19298 4610 1 10 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.483 -0.593 19298 4611 1 10 . 1 1 33 33 LEU CB C 33 44.910 44.910 45.760 -0.850 19298 4612 1 10 . 1 1 33 33 LEU H H 33 9.701 9.701 9.248 0.453 19298 4613 1 10 . 1 1 34 34 PHE N N 34 122.600 122.600 118.705 3.895 19298 4614 1 10 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.335 -0.246 19298 4615 1 10 . 1 1 34 34 PHE C C 34 174.530 174.530 174.088 0.442 19298 4616 1 10 . 1 1 34 34 PHE CA C 34 55.740 55.740 54.797 0.943 19298 4617 1 10 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.815 1.595 19298 4618 1 10 . 1 1 34 34 PHE H H 34 9.411 9.411 9.151 0.260 19298 4619 1 10 . 1 1 35 35 VAL N N 35 127.050 127.050 127.738 -0.688 19298 4620 1 10 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.363 0.363 19298 4621 1 10 . 1 1 35 35 VAL C C 35 173.520 173.520 175.462 -1.942 19298 4622 1 10 . 1 1 35 35 VAL CA C 35 60.650 60.650 62.023 -1.373 19298 4623 1 10 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.066 2.104 19298 4624 1 10 . 1 1 35 35 VAL H H 35 8.878 8.878 8.788 0.090 19298 4625 1 10 . 1 1 36 36 SER N N 36 120.260 120.260 122.236 -1.976 19298 4626 1 10 . 1 1 36 36 SER HA H 36 4.876 4.876 4.894 -0.018 19298 4627 1 10 . 1 1 36 36 SER C C 36 173.170 173.170 174.883 -1.713 19298 4628 1 10 . 1 1 36 36 SER CA C 36 56.700 56.700 56.194 0.506 19298 4629 1 10 . 1 1 36 36 SER CB C 36 65.440 65.440 66.287 -0.847 19298 4630 1 10 . 1 1 36 36 SER H H 36 8.964 8.964 8.991 -0.027 19298 4631 1 10 . 1 1 37 37 GLY N N 37 108.690 108.690 108.530 0.160 19298 4632 1 10 . 1 1 37 37 GLY C C 37 174.150 174.150 173.915 0.235 19298 4633 1 10 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.142 0.388 19298 4634 1 10 . 1 1 37 37 GLY H H 37 8.567 8.567 8.551 0.016 19298 4635 1 10 . 1 1 38 38 LEU N N 38 118.640 118.640 122.383 -3.743 19298 4636 1 10 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.056 -0.155 19298 4637 1 10 . 1 1 38 38 LEU CA C 38 51.410 51.410 52.039 -0.629 19298 4638 1 10 . 1 1 38 38 LEU H H 38 7.426 7.426 7.766 -0.340 19298 4639 1 10 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.275 0.275 19298 4640 1 10 . 1 1 39 39 PRO C C 39 177.540 177.540 177.825 -0.285 19298 4641 1 10 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.296 -0.166 19298 4642 1 10 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.434 -0.225 19298 4643 1 10 . 1 1 40 40 VAL N N 40 114.990 114.990 119.150 -4.160 19298 4644 1 10 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.838 -0.154 19298 4645 1 10 . 1 1 40 40 VAL C C 40 175.650 175.650 175.507 0.143 19298 4646 1 10 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.151 1.309 19298 4647 1 10 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.577 0.153 19298 4648 1 10 . 1 1 40 40 VAL H H 40 8.311 8.311 8.747 -0.436 19298 4649 1 10 . 1 1 41 41 ASP N N 41 117.410 117.410 118.233 -0.823 19298 4650 1 10 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.651 0.033 19298 4651 1 10 . 1 1 41 41 ASP C C 41 176.140 176.140 176.147 -0.007 19298 4652 1 10 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.874 -1.074 19298 4653 1 10 . 1 1 41 41 ASP CB C 41 39.680 39.680 41.457 -1.777 19298 4654 1 10 . 1 1 41 41 ASP H H 41 7.809 7.809 7.820 -0.011 19298 4655 1 10 . 1 1 42 42 ILE N N 42 119.180 119.180 117.382 1.798 19298 4656 1 10 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.548 -0.464 19298 4657 1 10 . 1 1 42 42 ILE C C 42 173.940 173.940 176.422 -2.482 19298 4658 1 10 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.142 -0.372 19298 4659 1 10 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.179 0.561 19298 4660 1 10 . 1 1 42 42 ILE H H 42 7.098 7.098 7.658 -0.560 19298 4661 1 10 . 1 1 43 43 LYS N N 43 126.520 126.520 125.955 0.565 19298 4662 1 10 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.849 0.144 19298 4663 1 10 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.687 0.913 19298 4664 1 10 . 1 1 43 43 LYS H H 43 8.963 8.963 9.525 -0.562 19298 4665 1 10 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.394 -0.294 19298 4666 1 10 . 1 1 44 44 PRO C C 44 180.110 180.110 178.042 2.068 19298 4667 1 10 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.333 1.357 19298 4668 1 10 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.853 -0.043 19298 4669 1 10 . 1 1 45 45 ARG N N 45 115.440 115.440 117.315 -1.875 19298 4670 1 10 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.189 0.054 19298 4671 1 10 . 1 1 45 45 ARG C C 45 176.200 176.200 178.219 -2.019 19298 4672 1 10 . 1 1 45 45 ARG CA C 45 58.550 58.550 59.022 -0.472 19298 4673 1 10 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.170 1.250 19298 4674 1 10 . 1 1 45 45 ARG H H 45 8.922 8.922 8.798 0.124 19298 4675 1 10 . 1 1 46 46 GLU N N 46 119.720 119.720 120.882 -1.162 19298 4676 1 10 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.158 -0.120 19298 4677 1 10 . 1 1 46 46 GLU C C 46 178.820 178.820 179.159 -0.339 19298 4678 1 10 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.161 1.049 19298 4679 1 10 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.543 1.337 19298 4680 1 10 . 1 1 46 46 GLU H H 46 8.340 8.340 7.803 0.537 19298 4681 1 10 . 1 1 47 47 LEU N N 47 115.570 115.570 119.922 -4.352 19298 4682 1 10 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.134 0.239 19298 4683 1 10 . 1 1 47 47 LEU C C 47 178.380 178.380 178.933 -0.553 19298 4684 1 10 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.920 -0.400 19298 4685 1 10 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.752 -0.072 19298 4686 1 10 . 1 1 47 47 LEU H H 47 7.196 7.196 7.722 -0.526 19298 4687 1 10 . 1 1 48 48 TYR N N 48 119.670 119.670 120.473 -0.803 19298 4688 1 10 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.064 0.145 19298 4689 1 10 . 1 1 48 48 TYR C C 48 176.380 176.380 177.506 -1.126 19298 4690 1 10 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.963 -1.333 19298 4691 1 10 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.518 -1.888 19298 4692 1 10 . 1 1 48 48 TYR H H 48 6.816 6.816 7.725 -0.909 19298 4693 1 10 . 1 1 49 49 LEU N N 49 118.190 118.190 118.000 0.190 19298 4694 1 10 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.768 -0.566 19298 4695 1 10 . 1 1 49 49 LEU C C 49 179.030 179.030 179.456 -0.426 19298 4696 1 10 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.412 0.328 19298 4697 1 10 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.748 1.482 19298 4698 1 10 . 1 1 49 49 LEU H H 49 8.129 8.129 8.105 0.024 19298 4699 1 10 . 1 1 50 50 LEU N N 50 117.130 117.130 120.532 -3.402 19298 4700 1 10 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.935 -0.225 19298 4701 1 10 . 1 1 50 50 LEU C C 50 176.420 176.420 177.686 -1.266 19298 4702 1 10 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.651 -0.361 19298 4703 1 10 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.066 0.575 19298 4704 1 10 . 1 1 50 50 LEU H H 50 7.543 7.543 8.146 -0.603 19298 4705 1 10 . 1 1 51 51 PHE N N 51 110.420 110.420 113.786 -3.366 19298 4706 1 10 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.556 0.104 19298 4707 1 10 . 1 1 51 51 PHE C C 51 175.110 175.110 176.707 -1.597 19298 4708 1 10 . 1 1 51 51 PHE CA C 51 59.640 59.640 59.160 0.480 19298 4709 1 10 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.326 1.924 19298 4710 1 10 . 1 1 51 51 PHE H H 51 7.439 7.439 7.842 -0.403 19298 4711 1 10 . 1 1 52 52 ARG N N 52 120.680 120.680 119.822 0.858 19298 4712 1 10 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.105 -0.362 19298 4713 1 10 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.777 -0.857 19298 4714 1 10 . 1 1 52 52 ARG H H 52 7.865 7.865 7.362 0.503 19298 4715 1 10 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.242 -0.040 19298 4716 1 10 . 1 1 53 53 PRO C C 53 176.600 176.600 176.441 0.159 19298 4717 1 10 . 1 1 53 53 PRO CA C 53 64.540 64.540 64.137 0.403 19298 4718 1 10 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.400 -0.440 19298 4719 1 10 . 1 1 54 54 PHE N N 54 117.470 117.470 120.650 -3.180 19298 4720 1 10 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.671 -0.415 19298 4721 1 10 . 1 1 54 54 PHE C C 54 175.500 175.500 174.935 0.565 19298 4722 1 10 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.959 2.241 19298 4723 1 10 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.635 0.045 19298 4724 1 10 . 1 1 54 54 PHE H H 54 7.943 7.943 7.415 0.528 19298 4725 1 10 . 1 1 55 55 LYS N N 55 126.460 126.460 125.799 0.661 19298 4726 1 10 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.391 -0.238 19298 4727 1 10 . 1 1 55 55 LYS C C 55 177.900 177.900 176.969 0.931 19298 4728 1 10 . 1 1 55 55 LYS CA C 55 58.040 58.040 56.531 1.509 19298 4729 1 10 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.098 1.432 19298 4730 1 10 . 1 1 55 55 LYS H H 55 8.571 8.571 8.090 0.481 19298 4731 1 10 . 1 1 56 56 GLY N N 56 112.780 112.780 110.269 2.511 19298 4732 1 10 . 1 1 56 56 GLY C C 56 174.830 174.830 173.783 1.047 19298 4733 1 10 . 1 1 56 56 GLY CA C 56 45.150 45.150 45.059 0.091 19298 4734 1 10 . 1 1 56 56 GLY H H 56 9.045 9.045 8.416 0.629 19298 4735 1 10 . 1 1 57 57 TYR N N 57 121.700 121.700 123.179 -1.479 19298 4736 1 10 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.209 -0.133 19298 4737 1 10 . 1 1 57 57 TYR C C 57 175.260 175.260 175.182 0.078 19298 4738 1 10 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.143 0.507 19298 4739 1 10 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.623 0.567 19298 4740 1 10 . 1 1 57 57 TYR H H 57 7.560 7.560 7.469 0.091 19298 4741 1 10 . 1 1 58 58 GLU N N 58 128.500 128.500 128.135 0.365 19298 4742 1 10 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.246 0.022 19298 4743 1 10 . 1 1 58 58 GLU C C 58 175.700 175.700 175.717 -0.017 19298 4744 1 10 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.235 -0.895 19298 4745 1 10 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.376 0.354 19298 4746 1 10 . 1 1 58 58 GLU H H 58 8.356 8.356 8.604 -0.248 19298 4747 1 10 . 1 1 59 59 GLY N N 59 104.920 104.920 107.118 -2.198 19298 4748 1 10 . 1 1 59 59 GLY C C 59 170.310 170.310 171.892 -1.582 19298 4749 1 10 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.995 0.535 19298 4750 1 10 . 1 1 59 59 GLY H H 59 6.411 6.411 7.267 -0.856 19298 4751 1 10 . 1 1 60 60 SER N N 60 110.020 110.020 114.789 -4.769 19298 4752 1 10 . 1 1 60 60 SER HA H 60 5.468 5.468 5.238 0.230 19298 4753 1 10 . 1 1 60 60 SER C C 60 172.470 172.470 173.221 -0.751 19298 4754 1 10 . 1 1 60 60 SER CA C 60 57.170 57.170 57.120 0.050 19298 4755 1 10 . 1 1 60 60 SER CB C 60 66.610 66.610 66.698 -0.088 19298 4756 1 10 . 1 1 60 60 SER H H 60 8.280 8.280 8.183 0.097 19298 4757 1 10 . 1 1 61 61 LEU N N 61 118.490 118.490 122.754 -4.264 19298 4758 1 10 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.800 -0.057 19298 4759 1 10 . 1 1 61 61 LEU C C 61 174.600 174.600 175.159 -0.559 19298 4760 1 10 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.407 0.273 19298 4761 1 10 . 1 1 61 61 LEU CB C 61 45.380 45.380 45.103 0.277 19298 4762 1 10 . 1 1 61 61 LEU H H 61 8.953 8.953 8.840 0.113 19298 4763 1 10 . 1 1 62 62 ILE N N 62 120.760 120.760 122.967 -2.207 19298 4764 1 10 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.996 -0.079 19298 4765 1 10 . 1 1 62 62 ILE C C 62 175.600 175.600 175.896 -0.296 19298 4766 1 10 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.262 0.228 19298 4767 1 10 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.764 1.156 19298 4768 1 10 . 1 1 62 62 ILE H H 62 8.639 8.639 8.441 0.198 19298 4769 1 10 . 1 1 63 63 LYS N N 63 127.240 127.240 128.166 -0.926 19298 4770 1 10 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.674 0.028 19298 4771 1 10 . 1 1 63 63 LYS C C 63 174.700 174.700 174.973 -0.273 19298 4772 1 10 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.562 -0.012 19298 4773 1 10 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.756 0.734 19298 4774 1 10 . 1 1 63 63 LYS H H 63 9.145 9.145 9.040 0.105 19298 4775 1 10 . 1 1 64 64 LEU N N 64 124.700 124.700 127.466 -2.766 19298 4776 1 10 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.323 0.379 19298 4777 1 10 . 1 1 64 64 LEU C C 64 177.470 177.470 175.922 1.548 19298 4778 1 10 . 1 1 64 64 LEU CA C 64 54.590 54.590 56.242 -1.653 19298 4779 1 10 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.837 0.583 19298 4780 1 10 . 1 1 64 64 LEU H H 64 8.648 8.648 8.821 -0.173 19298 4781 1 10 . 1 1 65 65 THR N N 65 116.860 116.860 122.117 -5.257 19298 4782 1 10 . 1 1 65 65 THR HA H 65 4.521 4.521 4.569 -0.048 19298 4783 1 10 . 1 1 65 65 THR C C 65 174.160 174.160 173.375 0.785 19298 4784 1 10 . 1 1 65 65 THR CA C 65 60.990 60.990 60.469 0.521 19298 4785 1 10 . 1 1 65 65 THR CB C 65 70.630 70.630 71.169 -0.539 19298 4786 1 10 . 1 1 65 65 THR H H 65 8.330 8.330 7.649 0.681 19298 4787 1 10 . 1 1 66 66 ALA N N 66 127.310 127.310 124.340 2.970 19298 4788 1 10 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.183 -0.013 19298 4789 1 10 . 1 1 66 66 ALA C C 66 177.060 177.060 178.033 -0.973 19298 4790 1 10 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.336 -0.746 19298 4791 1 10 . 1 1 66 66 ALA CB C 66 18.060 18.060 19.021 -0.961 19298 4792 1 10 . 1 1 66 66 ALA H H 66 8.834 8.834 8.419 0.415 19298 4793 1 10 . 1 1 67 67 ARG N N 67 113.660 113.660 116.903 -3.243 19298 4794 1 10 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.392 -0.328 19298 4795 1 10 . 1 1 67 67 ARG C C 67 175.400 175.400 174.550 0.850 19298 4796 1 10 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.809 0.501 19298 4797 1 10 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.013 -1.243 19298 4798 1 10 . 1 1 67 67 ARG H H 67 8.335 8.335 7.967 0.368 19298 4799 1 10 . 1 1 68 68 GLN N N 68 118.790 118.790 116.568 2.222 19298 4800 1 10 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.807 0.008 19298 4801 1 10 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.691 0.589 19298 4802 1 10 . 1 1 68 68 GLN H H 68 7.832 7.832 7.628 0.204 19298 4803 1 10 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.622 0.224 19298 4804 1 10 . 1 1 69 69 PRO C C 69 175.480 175.480 176.704 -1.224 19298 4805 1 10 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.901 -0.000 19298 4806 1 10 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.561 0.889 19298 4807 1 10 . 1 1 70 70 VAL N N 70 117.700 117.700 120.507 -2.807 19298 4808 1 10 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.755 -0.213 19298 4809 1 10 . 1 1 70 70 VAL C C 70 174.470 174.470 175.287 -0.817 19298 4810 1 10 . 1 1 70 70 VAL CA C 70 60.040 60.040 59.723 0.317 19298 4811 1 10 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.084 1.836 19298 4812 1 10 . 1 1 70 70 VAL H H 70 8.722 8.722 8.524 0.198 19298 4813 1 10 . 1 1 71 71 GLY N N 71 107.930 107.930 111.534 -3.604 19298 4814 1 10 . 1 1 71 71 GLY C C 71 171.000 171.000 172.649 -1.649 19298 4815 1 10 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.725 0.265 19298 4816 1 10 . 1 1 71 71 GLY H H 71 8.716 8.716 8.730 -0.014 19298 4817 1 10 . 1 1 72 72 PHE N N 72 119.400 119.400 125.881 -6.481 19298 4818 1 10 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.048 0.587 19298 4819 1 10 . 1 1 72 72 PHE C C 72 175.350 175.350 175.295 0.055 19298 4820 1 10 . 1 1 72 72 PHE CA C 72 56.830 56.830 58.023 -1.193 19298 4821 1 10 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.331 2.779 19298 4822 1 10 . 1 1 72 72 PHE H H 72 8.934 8.934 9.231 -0.297 19298 4823 1 10 . 1 1 73 73 VAL N N 73 122.000 122.000 125.541 -3.541 19298 4824 1 10 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.653 -0.090 19298 4825 1 10 . 1 1 73 73 VAL C C 73 172.930 172.930 174.647 -1.717 19298 4826 1 10 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.617 -0.857 19298 4827 1 10 . 1 1 73 73 VAL CB C 73 34.570 34.570 33.592 0.978 19298 4828 1 10 . 1 1 73 73 VAL H H 73 8.934 8.934 9.203 -0.269 19298 4829 1 10 . 1 1 74 74 ILE N N 74 128.000 128.000 126.196 1.804 19298 4830 1 10 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.123 -0.256 19298 4831 1 10 . 1 1 74 74 ILE C C 74 173.700 173.700 173.930 -0.230 19298 4832 1 10 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.039 1.841 19298 4833 1 10 . 1 1 74 74 ILE CB C 74 33.400 33.400 40.261 -6.862 19298 4834 1 10 . 1 1 74 74 ILE H H 74 8.702 8.702 8.675 0.027 19298 4835 1 10 . 1 1 75 75 PHE N N 75 125.200 125.200 127.762 -2.562 19298 4836 1 10 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.160 -0.013 19298 4837 1 10 . 1 1 75 75 PHE C C 75 175.880 175.880 175.856 0.024 19298 4838 1 10 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.071 -0.851 19298 4839 1 10 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.278 2.402 19298 4840 1 10 . 1 1 75 75 PHE H H 75 8.200 8.200 9.342 -1.142 19298 4841 1 10 . 1 1 76 76 ASP N N 76 119.150 119.150 120.113 -0.963 19298 4842 1 10 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.441 -0.164 19298 4843 1 10 . 1 1 76 76 ASP C C 76 176.020 176.020 175.713 0.307 19298 4844 1 10 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.357 -0.777 19298 4845 1 10 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.738 -1.218 19298 4846 1 10 . 1 1 76 76 ASP H H 76 9.400 9.400 8.788 0.612 19298 4847 1 10 . 1 1 77 77 SER N N 77 111.280 111.280 110.951 0.329 19298 4848 1 10 . 1 1 77 77 SER HA H 77 4.683 4.683 4.806 -0.123 19298 4849 1 10 . 1 1 77 77 SER C C 77 173.670 173.670 175.141 -1.471 19298 4850 1 10 . 1 1 77 77 SER CA C 77 56.620 56.620 56.744 -0.124 19298 4851 1 10 . 1 1 77 77 SER CB C 77 66.470 66.470 66.995 -0.525 19298 4852 1 10 . 1 1 77 77 SER H H 77 7.804 7.804 7.964 -0.160 19298 4853 1 10 . 1 1 78 78 ARG N N 78 125.240 125.240 123.088 2.152 19298 4854 1 10 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.506 -0.476 19298 4855 1 10 . 1 1 78 78 ARG C C 78 177.710 177.710 177.687 0.023 19298 4856 1 10 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.900 0.970 19298 4857 1 10 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.239 0.561 19298 4858 1 10 . 1 1 78 78 ARG H H 78 9.348 9.348 9.044 0.304 19298 4859 1 10 . 1 1 79 79 ALA N N 79 120.700 120.700 122.102 -1.402 19298 4860 1 10 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.525 -0.325 19298 4861 1 10 . 1 1 79 79 ALA C C 79 181.360 181.360 180.080 1.280 19298 4862 1 10 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.378 0.902 19298 4863 1 10 . 1 1 79 79 ALA CB C 79 18.150 18.150 17.851 0.299 19298 4864 1 10 . 1 1 79 79 ALA H H 79 8.660 8.660 8.621 0.039 19298 4865 1 10 . 1 1 80 80 GLY N N 80 107.500 107.500 107.408 0.092 19298 4866 1 10 . 1 1 80 80 GLY C C 80 175.710 175.710 175.541 0.169 19298 4867 1 10 . 1 1 80 80 GLY CA C 80 46.790 46.790 46.242 0.548 19298 4868 1 10 . 1 1 80 80 GLY H H 80 8.161 8.161 8.250 -0.089 19298 4869 1 10 . 1 1 81 81 ALA N N 81 124.650 124.650 124.597 0.053 19298 4870 1 10 . 1 1 81 81 ALA HA H 81 2.576 2.576 2.969 -0.393 19298 4871 1 10 . 1 1 81 81 ALA C C 81 178.570 178.570 178.948 -0.378 19298 4872 1 10 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.515 -0.295 19298 4873 1 10 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.674 -0.494 19298 4874 1 10 . 1 1 81 81 ALA H H 81 7.298 7.298 7.854 -0.556 19298 4875 1 10 . 1 1 82 82 GLU N N 82 118.890 118.890 118.213 0.677 19298 4876 1 10 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.804 -0.073 19298 4877 1 10 . 1 1 82 82 GLU C C 82 177.800 177.800 178.575 -0.775 19298 4878 1 10 . 1 1 82 82 GLU CA C 82 59.560 59.560 58.906 0.654 19298 4879 1 10 . 1 1 82 82 GLU CB C 82 29.860 29.860 28.834 1.026 19298 4880 1 10 . 1 1 82 82 GLU H H 82 8.930 8.930 8.764 0.166 19298 4881 1 10 . 1 1 83 83 ALA N N 83 119.410 119.410 121.422 -2.012 19298 4882 1 10 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.193 -0.076 19298 4883 1 10 . 1 1 83 83 ALA C C 83 180.810 180.810 179.420 1.390 19298 4884 1 10 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.582 0.308 19298 4885 1 10 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.020 0.130 19298 4886 1 10 . 1 1 83 83 ALA H H 83 7.572 7.572 7.535 0.037 19298 4887 1 10 . 1 1 84 84 ALA N N 84 120.280 120.280 121.287 -1.007 19298 4888 1 10 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.299 -1.159 19298 4889 1 10 . 1 1 84 84 ALA C C 84 178.010 178.010 179.333 -1.323 19298 4890 1 10 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.199 -0.469 19298 4891 1 10 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.328 0.382 19298 4892 1 10 . 1 1 84 84 ALA H H 84 6.950 6.950 7.499 -0.549 19298 4893 1 10 . 1 1 85 85 LYS N N 85 118.040 118.040 118.156 -0.116 19298 4894 1 10 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.796 -0.208 19298 4895 1 10 . 1 1 85 85 LYS C C 85 177.700 177.700 178.475 -0.775 19298 4896 1 10 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.187 0.373 19298 4897 1 10 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.706 0.384 19298 4898 1 10 . 1 1 85 85 LYS H H 85 8.042 8.042 8.057 -0.015 19298 4899 1 10 . 1 1 86 86 ASN N N 86 114.630 114.630 119.294 -4.664 19298 4900 1 10 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.449 0.024 19298 4901 1 10 . 1 1 86 86 ASN C C 86 177.320 177.320 176.787 0.533 19298 4902 1 10 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.903 -0.833 19298 4903 1 10 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.089 -0.098 19298 4904 1 10 . 1 1 86 86 ASN H H 86 8.087 8.087 7.949 0.138 19298 4905 1 10 . 1 1 87 87 ALA N N 87 120.200 120.200 120.766 -0.566 19298 4906 1 10 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.237 0.070 19298 4907 1 10 . 1 1 87 87 ALA C C 87 179.630 179.630 178.837 0.793 19298 4908 1 10 . 1 1 87 87 ALA CA C 87 54.300 54.300 53.838 0.462 19298 4909 1 10 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.822 0.358 19298 4910 1 10 . 1 1 87 87 ALA H H 87 7.557 7.557 7.648 -0.091 19298 4911 1 10 . 1 1 88 88 LEU N N 88 114.210 114.210 117.062 -2.852 19298 4912 1 10 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.393 0.020 19298 4913 1 10 . 1 1 88 88 LEU C C 88 176.580 176.580 176.549 0.031 19298 4914 1 10 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.554 -0.144 19298 4915 1 10 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.432 1.897 19298 4916 1 10 . 1 1 88 88 LEU H H 88 7.561 7.561 8.088 -0.527 19298 4917 1 10 . 1 1 89 89 ASN N N 89 117.970 117.970 117.362 0.608 19298 4918 1 10 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.633 -0.377 19298 4919 1 10 . 1 1 89 89 ASN C C 89 177.700 177.700 176.286 1.414 19298 4920 1 10 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.607 2.383 19298 4921 1 10 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.557 0.013 19298 4922 1 10 . 1 1 89 89 ASN H H 89 7.550 7.550 7.895 -0.345 19298 4923 1 10 . 1 1 90 90 GLY N N 90 112.220 112.220 112.204 0.016 19298 4924 1 10 . 1 1 90 90 GLY C C 90 174.360 174.360 173.497 0.863 19298 4925 1 10 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.751 1.009 19298 4926 1 10 . 1 1 90 90 GLY H H 90 8.734 8.734 9.114 -0.380 19298 4927 1 10 . 1 1 91 91 ILE N N 91 115.840 115.840 121.960 -6.120 19298 4928 1 10 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.236 0.240 19298 4929 1 10 . 1 1 91 91 ILE C C 91 175.940 175.940 174.531 1.409 19298 4930 1 10 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.947 0.573 19298 4931 1 10 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.402 -0.382 19298 4932 1 10 . 1 1 91 91 ILE H H 91 7.518 7.518 7.239 0.279 19298 4933 1 10 . 1 1 92 92 ARG N N 92 120.160 120.160 127.583 -7.423 19298 4934 1 10 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.262 0.215 19298 4935 1 10 . 1 1 92 92 ARG C C 92 175.840 175.840 176.163 -0.323 19298 4936 1 10 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.998 -0.338 19298 4937 1 10 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.386 0.164 19298 4938 1 10 . 1 1 92 92 ARG H H 92 8.461 8.461 8.778 -0.317 19298 4939 1 10 . 1 1 93 93 PHE N N 93 126.780 126.780 126.282 0.498 19298 4940 1 10 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.253 -0.196 19298 4941 1 10 . 1 1 93 93 PHE C C 93 171.620 171.620 175.541 -3.921 19298 4942 1 10 . 1 1 93 93 PHE CA C 93 61.010 61.010 60.236 0.774 19298 4943 1 10 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.953 0.527 19298 4944 1 10 . 1 1 93 93 PHE H H 93 8.443 8.443 8.918 -0.475 19298 4945 1 10 . 1 1 94 94 ASP N N 94 110.650 110.650 117.142 -6.492 19298 4946 1 10 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.891 -0.022 19298 4947 1 10 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.435 -2.905 19298 4948 1 10 . 1 1 94 94 ASP H H 94 7.860 7.860 7.902 -0.042 19298 4949 1 10 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.288 -0.441 19298 4950 1 10 . 1 1 95 95 PRO C C 95 177.650 177.650 177.813 -0.163 19298 4951 1 10 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.738 -1.448 19298 4952 1 10 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.463 -0.373 19298 4953 1 10 . 1 1 96 96 GLU N N 96 115.270 115.270 117.988 -2.718 19298 4954 1 10 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.163 0.062 19298 4955 1 10 . 1 1 96 96 GLU C C 96 175.310 175.310 176.497 -1.187 19298 4956 1 10 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.733 -0.563 19298 4957 1 10 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.694 0.306 19298 4958 1 10 . 1 1 96 96 GLU H H 96 7.944 7.944 8.272 -0.328 19298 4959 1 10 . 1 1 97 97 ASN N N 97 121.610 121.610 119.964 1.646 19298 4960 1 10 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.868 0.334 19298 4961 1 10 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.736 -0.876 19298 4962 1 10 . 1 1 97 97 ASN H H 97 8.190 8.190 7.701 0.489 19298 4963 1 10 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.265 -0.096 19298 4964 1 10 . 1 1 98 98 PRO C C 98 176.940 176.940 176.458 0.482 19298 4965 1 10 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.898 -0.608 19298 4966 1 10 . 1 1 98 98 PRO CB C 98 32.210 32.210 32.150 0.060 19298 4967 1 10 . 1 1 99 99 GLN N N 99 120.230 120.230 121.111 -0.881 19298 4968 1 10 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.204 -0.021 19298 4969 1 10 . 1 1 99 99 GLN C C 99 176.660 176.660 175.118 1.542 19298 4970 1 10 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.829 1.251 19298 4971 1 10 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.527 0.463 19298 4972 1 10 . 1 1 99 99 GLN H H 99 8.174 8.174 8.131 0.043 19298 4973 1 10 . 1 1 100 100 THR N N 100 117.080 117.080 116.247 0.833 19298 4974 1 10 . 1 1 100 100 THR HA H 100 4.784 4.784 4.432 0.352 19298 4975 1 10 . 1 1 100 100 THR C C 100 174.540 174.540 173.542 0.998 19298 4976 1 10 . 1 1 100 100 THR CA C 100 59.870 59.870 60.144 -0.274 19298 4977 1 10 . 1 1 100 100 THR CB C 100 71.920 71.920 70.455 1.465 19298 4978 1 10 . 1 1 100 100 THR H H 100 8.241 8.241 8.128 0.113 19298 4979 1 10 . 1 1 101 101 LEU N N 101 120.720 120.720 124.395 -3.675 19298 4980 1 10 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.092 -0.453 19298 4981 1 10 . 1 1 101 101 LEU C C 101 177.930 177.930 174.920 3.010 19298 4982 1 10 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.063 0.597 19298 4983 1 10 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.526 -0.046 19298 4984 1 10 . 1 1 101 101 LEU H H 101 8.809 8.809 9.122 -0.313 19298 4985 1 10 . 1 1 102 102 ARG N N 102 124.040 124.040 126.568 -2.528 19298 4986 1 10 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.665 0.306 19298 4987 1 10 . 1 1 102 102 ARG C C 102 174.500 174.500 174.087 0.413 19298 4988 1 10 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.328 0.382 19298 4989 1 10 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.273 -0.273 19298 4990 1 10 . 1 1 102 102 ARG H H 102 8.327 8.327 9.283 -0.956 19298 4991 1 10 . 1 1 103 103 LEU N N 103 125.780 125.780 126.406 -0.626 19298 4992 1 10 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.884 0.486 19298 4993 1 10 . 1 1 103 103 LEU C C 103 174.660 174.660 175.662 -1.002 19298 4994 1 10 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.991 0.669 19298 4995 1 10 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.222 1.558 19298 4996 1 10 . 1 1 103 103 LEU H H 103 8.825 8.825 8.553 0.272 19298 4997 1 10 . 1 1 104 104 GLU N N 104 119.100 119.100 121.390 -2.290 19298 4998 1 10 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.316 0.193 19298 4999 1 10 . 1 1 104 104 GLU C C 104 175.110 175.110 174.527 0.583 19298 5000 1 10 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.032 0.408 19298 5001 1 10 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.535 0.485 19298 5002 1 10 . 1 1 104 104 GLU H H 104 8.348 8.348 7.970 0.378 19298 5003 1 10 . 1 1 105 105 PHE N N 105 121.070 121.070 121.480 -0.410 19298 5004 1 10 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.409 0.202 19298 5005 1 10 . 1 1 105 105 PHE C C 105 177.060 177.060 176.535 0.525 19298 5006 1 10 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.320 1.870 19298 5007 1 10 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.757 -0.577 19298 5008 1 10 . 1 1 105 105 PHE H H 105 9.227 9.227 8.595 0.632 19298 5009 1 10 . 1 1 106 106 ALA N N 106 124.890 124.890 127.140 -2.250 19298 5010 1 10 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.785 -0.360 19298 5011 1 10 . 1 1 106 106 ALA C C 106 175.860 175.860 176.562 -0.702 19298 5012 1 10 . 1 1 106 106 ALA CA C 106 51.280 51.280 51.856 -0.576 19298 5013 1 10 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.317 -0.567 19298 5014 1 10 . 1 1 106 106 ALA H H 106 9.567 9.567 8.599 0.968 19298 5015 1 10 . 1 1 107 107 LYS N N 107 117.510 117.510 119.803 -2.293 19298 5016 1 10 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.283 -0.111 19298 5017 1 10 . 1 1 107 107 LYS C C 107 176.060 176.060 175.456 0.604 19298 5018 1 10 . 1 1 107 107 LYS CA C 107 57.150 57.150 56.996 0.154 19298 5019 1 10 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.575 -0.075 19298 5020 1 10 . 1 1 107 107 LYS H H 107 8.581 8.581 8.610 -0.029 19298 5021 1 10 . 1 1 108 108 ALA N N 108 118.700 118.700 121.722 -3.022 19298 5022 1 10 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.523 -0.149 19298 5023 1 10 . 1 1 108 108 ALA C C 108 176.650 176.650 175.916 0.734 19298 5024 1 10 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.372 -0.502 19298 5025 1 10 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.139 0.381 19298 5026 1 10 . 1 1 108 108 ALA H H 108 7.731 7.731 7.512 0.219 19298 5027 1 10 . 1 1 109 109 ASN N N 109 116.530 116.530 120.795 -4.265 19298 5028 1 10 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.800 0.173 19298 5029 1 10 . 1 1 109 109 ASN C C 109 175.940 175.940 174.693 1.247 19298 5030 1 10 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.085 0.045 19298 5031 1 10 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.623 0.047 19298 5032 1 10 . 1 1 109 109 ASN H H 109 8.936 8.936 8.519 0.417 19298 5033 1 10 . 1 1 110 110 THR N N 110 116.260 116.260 118.187 -1.927 19298 5034 1 10 . 1 1 110 110 THR HA H 110 4.153 4.153 4.364 -0.211 19298 5035 1 10 . 1 1 110 110 THR C C 110 173.240 173.240 174.017 -0.777 19298 5036 1 10 . 1 1 110 110 THR CA C 110 61.990 61.990 61.105 0.885 19298 5037 1 10 . 1 1 110 110 THR CB C 110 69.830 69.830 69.773 0.057 19298 5038 1 10 . 1 1 110 110 THR H H 110 7.437 7.437 8.517 -1.080 19298 5039 1 10 . 1 1 111 111 LYS N N 111 124.500 124.500 126.467 -1.967 19298 5040 1 10 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.598 -0.351 19298 5041 1 10 . 1 1 111 111 LYS C C 111 176.140 176.140 175.673 0.467 19298 5042 1 10 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.586 0.344 19298 5043 1 10 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.188 0.512 19298 5044 1 10 . 1 1 111 111 LYS H H 111 8.248 8.248 8.538 -0.290 19298 5045 1 10 . 1 1 112 112 MET N N 112 122.000 122.000 121.003 0.997 19298 5046 1 10 . 1 1 112 112 MET HA H 112 4.408 4.408 4.422 -0.014 19298 5047 1 10 . 1 1 112 112 MET C C 112 175.550 175.550 175.830 -0.280 19298 5048 1 10 . 1 1 112 112 MET CA C 112 54.780 54.780 55.437 -0.657 19298 5049 1 10 . 1 1 112 112 MET CB C 112 33.280 33.280 32.893 0.387 19298 5050 1 10 . 1 1 112 112 MET H H 112 8.290 8.290 8.790 -0.500 19298 5051 1 10 . 1 1 113 113 ALA N N 113 125.150 125.150 122.305 2.845 19298 5052 1 10 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.474 -0.218 19298 5053 1 10 . 1 1 113 113 ALA C C 113 177.580 177.580 176.429 1.151 19298 5054 1 10 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.637 0.833 19298 5055 1 10 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.521 -0.381 19298 5056 1 10 . 1 1 113 113 ALA H H 113 8.213 8.213 7.753 0.460 19298 5057 1 10 . 1 1 114 114 LYS N N 114 120.740 120.740 125.752 -5.012 19298 5058 1 10 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.432 -0.176 19298 5059 1 10 . 1 1 114 114 LYS C C 114 176.790 176.790 176.022 0.768 19298 5060 1 10 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.846 0.494 19298 5061 1 10 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.384 0.486 19298 5062 1 10 . 1 1 114 114 LYS H H 114 8.261 8.261 8.592 -0.331 19298 5063 1 10 . 1 1 115 115 SER N N 115 116.780 116.780 123.439 -6.659 19298 5064 1 10 . 1 1 115 115 SER HA H 115 4.393 4.393 4.540 -0.147 19298 5065 1 10 . 1 1 115 115 SER C C 115 174.710 174.710 173.862 0.848 19298 5066 1 10 . 1 1 115 115 SER CA C 115 58.410 58.410 57.838 0.572 19298 5067 1 10 . 1 1 115 115 SER CB C 115 63.870 63.870 62.596 1.274 19298 5068 1 10 . 1 1 115 115 SER H H 115 8.268 8.268 8.641 -0.373 19298 5069 1 10 . 1 1 116 116 LYS N N 116 123.210 123.210 124.967 -1.757 19298 5070 1 10 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.416 -0.125 19298 5071 1 10 . 1 1 116 116 LYS C C 116 176.400 176.400 176.533 -0.133 19298 5072 1 10 . 1 1 116 116 LYS CA C 116 56.330 56.330 55.633 0.697 19298 5073 1 10 . 1 1 116 116 LYS CB C 116 32.710 32.710 32.981 -0.271 19298 5074 1 10 . 1 1 116 116 LYS H H 116 8.346 8.346 7.691 0.655 19298 5075 1 10 . 1 1 117 117 LEU N N 117 122.470 122.470 123.095 -0.625 19298 5076 1 10 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.533 -0.257 19298 5077 1 10 . 1 1 117 117 LEU C C 117 177.080 177.080 177.412 -0.332 19298 5078 1 10 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.280 -0.230 19298 5079 1 10 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.154 0.056 19298 5080 1 10 . 1 1 117 117 LEU H H 117 8.093 8.093 8.336 -0.243 19298 5081 1 11 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.248 0.118 19298 5082 1 11 . 1 1 27 27 GLU C C 27 176.230 176.230 176.979 -0.749 19298 5083 1 11 . 1 1 27 27 GLU CA C 27 56.240 56.240 57.087 -0.847 19298 5084 1 11 . 1 1 27 27 GLU CB C 27 30.720 30.720 29.958 0.762 19298 5085 1 11 . 1 1 28 28 GLU N N 28 122.500 122.500 120.284 2.216 19298 5086 1 11 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.456 -0.194 19298 5087 1 11 . 1 1 28 28 GLU C C 28 175.860 175.860 175.268 0.592 19298 5088 1 11 . 1 1 28 28 GLU CA C 28 56.360 56.360 55.610 0.750 19298 5089 1 11 . 1 1 28 28 GLU CB C 28 30.510 30.510 31.636 -1.126 19298 5090 1 11 . 1 1 28 28 GLU H H 28 8.521 8.521 8.064 0.457 19298 5091 1 11 . 1 1 29 29 GLU N N 29 123.290 123.290 122.140 1.150 19298 5092 1 11 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.156 0.075 19298 5093 1 11 . 1 1 29 29 GLU C C 29 176.740 176.740 175.968 0.772 19298 5094 1 11 . 1 1 29 29 GLU CA C 29 56.360 56.360 56.472 -0.112 19298 5095 1 11 . 1 1 29 29 GLU CB C 29 30.840 30.840 29.157 1.683 19298 5096 1 11 . 1 1 29 29 GLU H H 29 8.521 8.521 8.642 -0.121 19298 5097 1 11 . 1 1 30 30 VAL N N 30 125.640 125.640 125.421 0.219 19298 5098 1 11 . 1 1 30 30 VAL HA H 30 3.807 3.807 3.963 -0.156 19298 5099 1 11 . 1 1 30 30 VAL C C 30 175.110 175.110 175.474 -0.364 19298 5100 1 11 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.941 2.139 19298 5101 1 11 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.270 0.060 19298 5102 1 11 . 1 1 30 30 VAL H H 30 8.715 8.715 8.298 0.417 19298 5103 1 11 . 1 1 31 31 ARG N N 31 124.730 124.730 124.007 0.723 19298 5104 1 11 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.838 -0.164 19298 5105 1 11 . 1 1 31 31 ARG C C 31 172.600 172.600 175.615 -3.015 19298 5106 1 11 . 1 1 31 31 ARG CA C 31 54.580 54.580 54.983 -0.404 19298 5107 1 11 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.643 -1.893 19298 5108 1 11 . 1 1 31 31 ARG H H 31 9.378 9.378 8.726 0.652 19298 5109 1 11 . 1 1 32 32 THR N N 32 115.380 115.380 118.748 -3.368 19298 5110 1 11 . 1 1 32 32 THR HA H 32 5.471 5.471 5.604 -0.133 19298 5111 1 11 . 1 1 32 32 THR C C 32 173.810 173.810 173.287 0.523 19298 5112 1 11 . 1 1 32 32 THR CA C 32 61.250 61.250 62.449 -1.199 19298 5113 1 11 . 1 1 32 32 THR CB C 32 71.360 71.360 71.450 -0.090 19298 5114 1 11 . 1 1 32 32 THR H H 32 7.144 7.144 7.966 -0.822 19298 5115 1 11 . 1 1 33 33 LEU N N 33 124.600 124.600 127.088 -2.488 19298 5116 1 11 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.293 -0.366 19298 5117 1 11 . 1 1 33 33 LEU C C 33 174.960 174.960 175.400 -0.440 19298 5118 1 11 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.771 -0.881 19298 5119 1 11 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.846 0.064 19298 5120 1 11 . 1 1 33 33 LEU H H 33 9.701 9.701 9.414 0.287 19298 5121 1 11 . 1 1 34 34 PHE N N 34 122.600 122.600 121.388 1.212 19298 5122 1 11 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.055 0.034 19298 5123 1 11 . 1 1 34 34 PHE C C 34 174.530 174.530 173.948 0.582 19298 5124 1 11 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.114 0.626 19298 5125 1 11 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.611 1.799 19298 5126 1 11 . 1 1 34 34 PHE H H 34 9.411 9.411 9.239 0.172 19298 5127 1 11 . 1 1 35 35 VAL N N 35 127.050 127.050 127.673 -0.623 19298 5128 1 11 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.745 -0.019 19298 5129 1 11 . 1 1 35 35 VAL C C 35 173.520 173.520 175.766 -2.246 19298 5130 1 11 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.347 -0.697 19298 5131 1 11 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.867 2.303 19298 5132 1 11 . 1 1 35 35 VAL H H 35 8.878 8.878 8.627 0.251 19298 5133 1 11 . 1 1 36 36 SER N N 36 120.260 120.260 122.342 -2.082 19298 5134 1 11 . 1 1 36 36 SER HA H 36 4.876 4.876 4.746 0.130 19298 5135 1 11 . 1 1 36 36 SER C C 36 173.170 173.170 174.805 -1.635 19298 5136 1 11 . 1 1 36 36 SER CA C 36 56.700 56.700 56.617 0.083 19298 5137 1 11 . 1 1 36 36 SER CB C 36 65.440 65.440 66.164 -0.724 19298 5138 1 11 . 1 1 36 36 SER H H 36 8.964 8.964 9.043 -0.079 19298 5139 1 11 . 1 1 37 37 GLY N N 37 108.690 108.690 108.040 0.650 19298 5140 1 11 . 1 1 37 37 GLY C C 37 174.150 174.150 173.348 0.802 19298 5141 1 11 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.399 0.131 19298 5142 1 11 . 1 1 37 37 GLY H H 37 8.567 8.567 8.777 -0.210 19298 5143 1 11 . 1 1 38 38 LEU N N 38 118.640 118.640 120.455 -1.815 19298 5144 1 11 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.068 -0.167 19298 5145 1 11 . 1 1 38 38 LEU CA C 38 51.410 51.410 52.174 -0.764 19298 5146 1 11 . 1 1 38 38 LEU H H 38 7.426 7.426 7.685 -0.259 19298 5147 1 11 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.365 0.185 19298 5148 1 11 . 1 1 39 39 PRO C C 39 177.540 177.540 177.910 -0.370 19298 5149 1 11 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.417 -0.287 19298 5150 1 11 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.511 -0.302 19298 5151 1 11 . 1 1 40 40 VAL N N 40 114.990 114.990 118.964 -3.974 19298 5152 1 11 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.809 -0.125 19298 5153 1 11 . 1 1 40 40 VAL C C 40 175.650 175.650 175.640 0.010 19298 5154 1 11 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.429 0.031 19298 5155 1 11 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.923 -0.193 19298 5156 1 11 . 1 1 40 40 VAL H H 40 8.311 8.311 8.549 -0.238 19298 5157 1 11 . 1 1 41 41 ASP N N 41 117.410 117.410 117.708 -0.298 19298 5158 1 11 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.693 -0.009 19298 5159 1 11 . 1 1 41 41 ASP C C 41 176.140 176.140 175.731 0.409 19298 5160 1 11 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.729 -0.929 19298 5161 1 11 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.761 -1.081 19298 5162 1 11 . 1 1 41 41 ASP H H 41 7.809 7.809 7.904 -0.095 19298 5163 1 11 . 1 1 42 42 ILE N N 42 119.180 119.180 121.759 -2.579 19298 5164 1 11 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.263 -0.179 19298 5165 1 11 . 1 1 42 42 ILE C C 42 173.940 173.940 176.106 -2.166 19298 5166 1 11 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.264 -0.494 19298 5167 1 11 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.140 0.600 19298 5168 1 11 . 1 1 42 42 ILE H H 42 7.098 7.098 7.719 -0.621 19298 5169 1 11 . 1 1 43 43 LYS N N 43 126.520 126.520 131.670 -5.150 19298 5170 1 11 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.956 0.037 19298 5171 1 11 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.736 0.864 19298 5172 1 11 . 1 1 43 43 LYS H H 43 8.963 8.963 9.595 -0.632 19298 5173 1 11 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.233 -0.133 19298 5174 1 11 . 1 1 44 44 PRO C C 44 180.110 180.110 177.686 2.424 19298 5175 1 11 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.584 1.106 19298 5176 1 11 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.936 -0.126 19298 5177 1 11 . 1 1 45 45 ARG N N 45 115.440 115.440 115.927 -0.487 19298 5178 1 11 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.312 -0.069 19298 5179 1 11 . 1 1 45 45 ARG C C 45 176.200 176.200 177.826 -1.626 19298 5180 1 11 . 1 1 45 45 ARG CA C 45 58.550 58.550 57.965 0.585 19298 5181 1 11 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.741 1.679 19298 5182 1 11 . 1 1 45 45 ARG H H 45 8.922 8.922 8.591 0.331 19298 5183 1 11 . 1 1 46 46 GLU N N 46 119.720 119.720 121.696 -1.976 19298 5184 1 11 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.172 -0.134 19298 5185 1 11 . 1 1 46 46 GLU C C 46 178.820 178.820 179.064 -0.244 19298 5186 1 11 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.515 0.695 19298 5187 1 11 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.488 1.392 19298 5188 1 11 . 1 1 46 46 GLU H H 46 8.340 8.340 8.268 0.072 19298 5189 1 11 . 1 1 47 47 LEU N N 47 115.570 115.570 119.066 -3.496 19298 5190 1 11 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.120 0.253 19298 5191 1 11 . 1 1 47 47 LEU C C 47 178.380 178.380 178.740 -0.360 19298 5192 1 11 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.549 -0.029 19298 5193 1 11 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.618 0.062 19298 5194 1 11 . 1 1 47 47 LEU H H 47 7.196 7.196 7.794 -0.598 19298 5195 1 11 . 1 1 48 48 TYR N N 48 119.670 119.670 120.926 -1.256 19298 5196 1 11 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.007 0.202 19298 5197 1 11 . 1 1 48 48 TYR C C 48 176.380 176.380 177.392 -1.012 19298 5198 1 11 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.989 -1.359 19298 5199 1 11 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.542 -1.912 19298 5200 1 11 . 1 1 48 48 TYR H H 48 6.816 6.816 7.466 -0.650 19298 5201 1 11 . 1 1 49 49 LEU N N 49 118.190 118.190 117.749 0.441 19298 5202 1 11 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.911 -0.709 19298 5203 1 11 . 1 1 49 49 LEU C C 49 179.030 179.030 178.863 0.167 19298 5204 1 11 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.404 0.336 19298 5205 1 11 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.846 1.384 19298 5206 1 11 . 1 1 49 49 LEU H H 49 8.129 8.129 8.081 0.048 19298 5207 1 11 . 1 1 50 50 LEU N N 50 117.130 117.130 119.629 -2.499 19298 5208 1 11 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.956 -0.246 19298 5209 1 11 . 1 1 50 50 LEU C C 50 176.420 176.420 177.691 -1.271 19298 5210 1 11 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.712 -0.422 19298 5211 1 11 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.273 0.367 19298 5212 1 11 . 1 1 50 50 LEU H H 50 7.543 7.543 8.021 -0.478 19298 5213 1 11 . 1 1 51 51 PHE N N 51 110.420 110.420 114.250 -3.830 19298 5214 1 11 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.595 0.065 19298 5215 1 11 . 1 1 51 51 PHE C C 51 175.110 175.110 177.562 -2.452 19298 5216 1 11 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.473 1.167 19298 5217 1 11 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.541 1.709 19298 5218 1 11 . 1 1 51 51 PHE H H 51 7.439 7.439 8.002 -0.563 19298 5219 1 11 . 1 1 52 52 ARG N N 52 120.680 120.680 122.150 -1.470 19298 5220 1 11 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.080 -0.337 19298 5221 1 11 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.400 -0.480 19298 5222 1 11 . 1 1 52 52 ARG H H 52 7.865 7.865 7.481 0.384 19298 5223 1 11 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.322 -0.120 19298 5224 1 11 . 1 1 53 53 PRO C C 53 176.600 176.600 176.412 0.188 19298 5225 1 11 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.548 0.992 19298 5226 1 11 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.588 -0.628 19298 5227 1 11 . 1 1 54 54 PHE N N 54 117.470 117.470 121.038 -3.568 19298 5228 1 11 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.707 -0.451 19298 5229 1 11 . 1 1 54 54 PHE C C 54 175.500 175.500 174.878 0.622 19298 5230 1 11 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.479 2.721 19298 5231 1 11 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.584 0.096 19298 5232 1 11 . 1 1 54 54 PHE H H 54 7.943 7.943 7.682 0.261 19298 5233 1 11 . 1 1 55 55 LYS N N 55 126.460 126.460 125.761 0.699 19298 5234 1 11 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.297 -0.144 19298 5235 1 11 . 1 1 55 55 LYS C C 55 177.900 177.900 176.972 0.928 19298 5236 1 11 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.723 0.317 19298 5237 1 11 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.735 0.795 19298 5238 1 11 . 1 1 55 55 LYS H H 55 8.571 8.571 8.285 0.286 19298 5239 1 11 . 1 1 56 56 GLY N N 56 112.780 112.780 111.114 1.666 19298 5240 1 11 . 1 1 56 56 GLY C C 56 174.830 174.830 174.002 0.828 19298 5241 1 11 . 1 1 56 56 GLY CA C 56 45.150 45.150 45.069 0.081 19298 5242 1 11 . 1 1 56 56 GLY H H 56 9.045 9.045 8.439 0.606 19298 5243 1 11 . 1 1 57 57 TYR N N 57 121.700 121.700 123.686 -1.986 19298 5244 1 11 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.720 -0.644 19298 5245 1 11 . 1 1 57 57 TYR C C 57 175.260 175.260 175.013 0.247 19298 5246 1 11 . 1 1 57 57 TYR CA C 57 59.650 59.650 60.020 -0.369 19298 5247 1 11 . 1 1 57 57 TYR CB C 57 38.190 38.190 38.311 -0.121 19298 5248 1 11 . 1 1 57 57 TYR H H 57 7.560 7.560 7.994 -0.434 19298 5249 1 11 . 1 1 58 58 GLU N N 58 128.500 128.500 127.696 0.804 19298 5250 1 11 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.264 0.004 19298 5251 1 11 . 1 1 58 58 GLU C C 58 175.700 175.700 175.519 0.181 19298 5252 1 11 . 1 1 58 58 GLU CA C 58 56.340 56.340 56.693 -0.353 19298 5253 1 11 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.875 -0.145 19298 5254 1 11 . 1 1 58 58 GLU H H 58 8.356 8.356 8.513 -0.157 19298 5255 1 11 . 1 1 59 59 GLY N N 59 104.920 104.920 106.263 -1.343 19298 5256 1 11 . 1 1 59 59 GLY C C 59 170.310 170.310 171.970 -1.660 19298 5257 1 11 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.891 0.639 19298 5258 1 11 . 1 1 59 59 GLY H H 59 6.411 6.411 7.098 -0.687 19298 5259 1 11 . 1 1 60 60 SER N N 60 110.020 110.020 114.906 -4.886 19298 5260 1 11 . 1 1 60 60 SER HA H 60 5.468 5.468 5.364 0.104 19298 5261 1 11 . 1 1 60 60 SER C C 60 172.470 172.470 173.735 -1.265 19298 5262 1 11 . 1 1 60 60 SER CA C 60 57.170 57.170 57.274 -0.104 19298 5263 1 11 . 1 1 60 60 SER CB C 60 66.610 66.610 66.365 0.245 19298 5264 1 11 . 1 1 60 60 SER H H 60 8.280 8.280 8.316 -0.036 19298 5265 1 11 . 1 1 61 61 LEU N N 61 118.490 118.490 125.038 -6.548 19298 5266 1 11 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.797 -0.054 19298 5267 1 11 . 1 1 61 61 LEU C C 61 174.600 174.600 175.764 -1.164 19298 5268 1 11 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.883 0.797 19298 5269 1 11 . 1 1 61 61 LEU CB C 61 45.380 45.380 45.078 0.302 19298 5270 1 11 . 1 1 61 61 LEU H H 61 8.953 8.953 9.057 -0.104 19298 5271 1 11 . 1 1 62 62 ILE N N 62 120.760 120.760 122.145 -1.385 19298 5272 1 11 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.951 -0.034 19298 5273 1 11 . 1 1 62 62 ILE C C 62 175.600 175.600 175.943 -0.343 19298 5274 1 11 . 1 1 62 62 ILE CA C 62 59.490 59.490 58.918 0.572 19298 5275 1 11 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.738 1.182 19298 5276 1 11 . 1 1 62 62 ILE H H 62 8.639 8.639 8.514 0.125 19298 5277 1 11 . 1 1 63 63 LYS N N 63 127.240 127.240 126.833 0.407 19298 5278 1 11 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.674 0.028 19298 5279 1 11 . 1 1 63 63 LYS C C 63 174.700 174.700 174.898 -0.198 19298 5280 1 11 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.917 -0.367 19298 5281 1 11 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.901 -0.411 19298 5282 1 11 . 1 1 63 63 LYS H H 63 9.145 9.145 9.099 0.046 19298 5283 1 11 . 1 1 64 64 LEU N N 64 124.700 124.700 127.942 -3.242 19298 5284 1 11 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.419 0.283 19298 5285 1 11 . 1 1 64 64 LEU C C 64 177.470 177.470 177.151 0.319 19298 5286 1 11 . 1 1 64 64 LEU CA C 64 54.590 54.590 54.935 -0.345 19298 5287 1 11 . 1 1 64 64 LEU CB C 64 42.420 42.420 40.094 2.326 19298 5288 1 11 . 1 1 64 64 LEU H H 64 8.648 8.648 8.794 -0.146 19298 5289 1 11 . 1 1 65 65 THR N N 65 116.860 116.860 120.131 -3.271 19298 5290 1 11 . 1 1 65 65 THR HA H 65 4.521 4.521 4.537 -0.016 19298 5291 1 11 . 1 1 65 65 THR C C 65 174.160 174.160 175.420 -1.260 19298 5292 1 11 . 1 1 65 65 THR CA C 65 60.990 60.990 61.006 -0.016 19298 5293 1 11 . 1 1 65 65 THR CB C 65 70.630 70.630 70.627 0.003 19298 5294 1 11 . 1 1 65 65 THR H H 65 8.330 8.330 8.369 -0.039 19298 5295 1 11 . 1 1 66 66 ALA N N 66 127.310 127.310 125.799 1.511 19298 5296 1 11 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.090 0.080 19298 5297 1 11 . 1 1 66 66 ALA C C 66 177.060 177.060 178.319 -1.259 19298 5298 1 11 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.658 -1.068 19298 5299 1 11 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.206 -0.146 19298 5300 1 11 . 1 1 66 66 ALA H H 66 8.834 8.834 8.722 0.112 19298 5301 1 11 . 1 1 67 67 ARG N N 67 113.660 113.660 115.251 -1.591 19298 5302 1 11 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.482 -0.418 19298 5303 1 11 . 1 1 67 67 ARG C C 67 175.400 175.400 175.626 -0.226 19298 5304 1 11 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.100 1.210 19298 5305 1 11 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.085 -1.315 19298 5306 1 11 . 1 1 67 67 ARG H H 67 8.335 8.335 8.318 0.017 19298 5307 1 11 . 1 1 68 68 GLN N N 68 118.790 118.790 115.788 3.002 19298 5308 1 11 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.671 0.144 19298 5309 1 11 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.276 0.004 19298 5310 1 11 . 1 1 68 68 GLN H H 68 7.832 7.832 7.365 0.467 19298 5311 1 11 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.903 -0.057 19298 5312 1 11 . 1 1 69 69 PRO C C 69 175.480 175.480 176.781 -1.301 19298 5313 1 11 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.798 0.102 19298 5314 1 11 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.583 0.867 19298 5315 1 11 . 1 1 70 70 VAL N N 70 117.700 117.700 118.875 -1.175 19298 5316 1 11 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.613 -0.071 19298 5317 1 11 . 1 1 70 70 VAL C C 70 174.470 174.470 174.952 -0.482 19298 5318 1 11 . 1 1 70 70 VAL CA C 70 60.040 60.040 59.597 0.443 19298 5319 1 11 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.536 1.383 19298 5320 1 11 . 1 1 70 70 VAL H H 70 8.722 8.722 8.856 -0.134 19298 5321 1 11 . 1 1 71 71 GLY N N 71 107.930 107.930 107.938 -0.008 19298 5322 1 11 . 1 1 71 71 GLY C C 71 171.000 171.000 172.721 -1.721 19298 5323 1 11 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.038 -0.049 19298 5324 1 11 . 1 1 71 71 GLY H H 71 8.716 8.716 8.439 0.277 19298 5325 1 11 . 1 1 72 72 PHE N N 72 119.400 119.400 125.934 -6.534 19298 5326 1 11 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.284 0.351 19298 5327 1 11 . 1 1 72 72 PHE C C 72 175.350 175.350 175.604 -0.254 19298 5328 1 11 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.653 -0.823 19298 5329 1 11 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.685 2.425 19298 5330 1 11 . 1 1 72 72 PHE H H 72 8.934 8.934 9.340 -0.406 19298 5331 1 11 . 1 1 73 73 VAL N N 73 122.000 122.000 125.213 -3.213 19298 5332 1 11 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.530 0.033 19298 5333 1 11 . 1 1 73 73 VAL C C 73 172.930 172.930 174.679 -1.749 19298 5334 1 11 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.220 -0.460 19298 5335 1 11 . 1 1 73 73 VAL CB C 73 34.570 34.570 33.126 1.444 19298 5336 1 11 . 1 1 73 73 VAL H H 73 8.934 8.934 9.234 -0.300 19298 5337 1 11 . 1 1 74 74 ILE N N 74 128.000 128.000 127.037 0.963 19298 5338 1 11 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.291 -0.424 19298 5339 1 11 . 1 1 74 74 ILE C C 74 173.700 173.700 173.896 -0.196 19298 5340 1 11 . 1 1 74 74 ILE CA C 74 60.880 60.880 58.905 1.975 19298 5341 1 11 . 1 1 74 74 ILE CB C 74 33.400 33.400 40.327 -6.927 19298 5342 1 11 . 1 1 74 74 ILE H H 74 8.702 8.702 8.667 0.035 19298 5343 1 11 . 1 1 75 75 PHE N N 75 125.200 125.200 127.702 -2.502 19298 5344 1 11 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.106 0.041 19298 5345 1 11 . 1 1 75 75 PHE C C 75 175.880 175.880 175.630 0.250 19298 5346 1 11 . 1 1 75 75 PHE CA C 75 56.220 56.220 56.972 -0.752 19298 5347 1 11 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.239 2.442 19298 5348 1 11 . 1 1 75 75 PHE H H 75 8.200 8.200 9.335 -1.135 19298 5349 1 11 . 1 1 76 76 ASP N N 76 119.150 119.150 120.183 -1.033 19298 5350 1 11 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.613 -0.336 19298 5351 1 11 . 1 1 76 76 ASP C C 76 176.020 176.020 175.675 0.345 19298 5352 1 11 . 1 1 76 76 ASP CA C 76 55.580 55.580 55.949 -0.369 19298 5353 1 11 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.872 -1.352 19298 5354 1 11 . 1 1 76 76 ASP H H 76 9.400 9.400 8.974 0.426 19298 5355 1 11 . 1 1 77 77 SER N N 77 111.280 111.280 112.304 -1.024 19298 5356 1 11 . 1 1 77 77 SER HA H 77 4.683 4.683 4.798 -0.115 19298 5357 1 11 . 1 1 77 77 SER C C 77 173.670 173.670 174.958 -1.288 19298 5358 1 11 . 1 1 77 77 SER CA C 77 56.620 56.620 56.951 -0.331 19298 5359 1 11 . 1 1 77 77 SER CB C 77 66.470 66.470 66.007 0.463 19298 5360 1 11 . 1 1 77 77 SER H H 77 7.804 7.804 8.062 -0.258 19298 5361 1 11 . 1 1 78 78 ARG N N 78 125.240 125.240 124.256 0.984 19298 5362 1 11 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.603 -0.573 19298 5363 1 11 . 1 1 78 78 ARG C C 78 177.710 177.710 177.408 0.302 19298 5364 1 11 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.702 1.168 19298 5365 1 11 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.723 0.077 19298 5366 1 11 . 1 1 78 78 ARG H H 78 9.348 9.348 8.871 0.477 19298 5367 1 11 . 1 1 79 79 ALA N N 79 120.700 120.700 122.242 -1.542 19298 5368 1 11 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.616 -0.416 19298 5369 1 11 . 1 1 79 79 ALA C C 79 181.360 181.360 179.809 1.551 19298 5370 1 11 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.212 1.068 19298 5371 1 11 . 1 1 79 79 ALA CB C 79 18.150 18.150 17.992 0.157 19298 5372 1 11 . 1 1 79 79 ALA H H 79 8.660 8.660 8.552 0.108 19298 5373 1 11 . 1 1 80 80 GLY N N 80 107.500 107.500 106.910 0.590 19298 5374 1 11 . 1 1 80 80 GLY C C 80 175.710 175.710 175.527 0.183 19298 5375 1 11 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.989 0.802 19298 5376 1 11 . 1 1 80 80 GLY H H 80 8.161 8.161 8.207 -0.046 19298 5377 1 11 . 1 1 81 81 ALA N N 81 124.650 124.650 124.994 -0.344 19298 5378 1 11 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.280 -0.704 19298 5379 1 11 . 1 1 81 81 ALA C C 81 178.570 178.570 179.280 -0.710 19298 5380 1 11 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.830 -0.610 19298 5381 1 11 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.454 -0.274 19298 5382 1 11 . 1 1 81 81 ALA H H 81 7.298 7.298 7.891 -0.593 19298 5383 1 11 . 1 1 82 82 GLU N N 82 118.890 118.890 117.847 1.043 19298 5384 1 11 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.854 -0.123 19298 5385 1 11 . 1 1 82 82 GLU C C 82 177.800 177.800 178.556 -0.756 19298 5386 1 11 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.239 0.321 19298 5387 1 11 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.303 0.557 19298 5388 1 11 . 1 1 82 82 GLU H H 82 8.930 8.930 8.454 0.476 19298 5389 1 11 . 1 1 83 83 ALA N N 83 119.410 119.410 121.854 -2.444 19298 5390 1 11 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.153 -0.036 19298 5391 1 11 . 1 1 83 83 ALA C C 83 180.810 180.810 179.579 1.231 19298 5392 1 11 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.526 0.364 19298 5393 1 11 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.146 0.004 19298 5394 1 11 . 1 1 83 83 ALA H H 83 7.572 7.572 7.531 0.041 19298 5395 1 11 . 1 1 84 84 ALA N N 84 120.280 120.280 121.089 -0.809 19298 5396 1 11 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.324 -1.184 19298 5397 1 11 . 1 1 84 84 ALA C C 84 178.010 178.010 179.460 -1.450 19298 5398 1 11 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.239 -0.509 19298 5399 1 11 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.333 0.377 19298 5400 1 11 . 1 1 84 84 ALA H H 84 6.950 6.950 7.987 -1.037 19298 5401 1 11 . 1 1 85 85 LYS N N 85 118.040 118.040 117.483 0.557 19298 5402 1 11 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.846 -0.258 19298 5403 1 11 . 1 1 85 85 LYS C C 85 177.700 177.700 178.634 -0.934 19298 5404 1 11 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.391 0.169 19298 5405 1 11 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.724 0.366 19298 5406 1 11 . 1 1 85 85 LYS H H 85 8.042 8.042 8.153 -0.111 19298 5407 1 11 . 1 1 86 86 ASN N N 86 114.630 114.630 117.783 -3.153 19298 5408 1 11 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.736 -0.263 19298 5409 1 11 . 1 1 86 86 ASN C C 86 177.320 177.320 176.486 0.834 19298 5410 1 11 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.552 -0.482 19298 5411 1 11 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.511 -0.521 19298 5412 1 11 . 1 1 86 86 ASN H H 86 8.087 8.087 8.003 0.084 19298 5413 1 11 . 1 1 87 87 ALA N N 87 120.200 120.200 121.917 -1.717 19298 5414 1 11 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.235 0.072 19298 5415 1 11 . 1 1 87 87 ALA C C 87 179.630 179.630 178.406 1.224 19298 5416 1 11 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.402 -0.102 19298 5417 1 11 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.698 0.482 19298 5418 1 11 . 1 1 87 87 ALA H H 87 7.557 7.557 7.309 0.248 19298 5419 1 11 . 1 1 88 88 LEU N N 88 114.210 114.210 116.602 -2.392 19298 5420 1 11 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.518 -0.105 19298 5421 1 11 . 1 1 88 88 LEU C C 88 176.580 176.580 176.517 0.063 19298 5422 1 11 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.407 0.003 19298 5423 1 11 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.522 1.808 19298 5424 1 11 . 1 1 88 88 LEU H H 88 7.561 7.561 7.902 -0.341 19298 5425 1 11 . 1 1 89 89 ASN N N 89 117.970 117.970 117.995 -0.025 19298 5426 1 11 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.601 -0.345 19298 5427 1 11 . 1 1 89 89 ASN C C 89 177.700 177.700 176.390 1.310 19298 5428 1 11 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.993 1.996 19298 5429 1 11 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.824 -0.254 19298 5430 1 11 . 1 1 89 89 ASN H H 89 7.550 7.550 7.943 -0.393 19298 5431 1 11 . 1 1 90 90 GLY N N 90 112.220 112.220 113.289 -1.069 19298 5432 1 11 . 1 1 90 90 GLY C C 90 174.360 174.360 173.312 1.048 19298 5433 1 11 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.994 0.766 19298 5434 1 11 . 1 1 90 90 GLY H H 90 8.734 8.734 9.027 -0.293 19298 5435 1 11 . 1 1 91 91 ILE N N 91 115.840 115.840 121.121 -5.281 19298 5436 1 11 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.370 0.106 19298 5437 1 11 . 1 1 91 91 ILE C C 91 175.940 175.940 174.470 1.470 19298 5438 1 11 . 1 1 91 91 ILE CA C 91 60.520 60.520 58.917 1.603 19298 5439 1 11 . 1 1 91 91 ILE CB C 91 39.020 39.020 40.357 -1.337 19298 5440 1 11 . 1 1 91 91 ILE H H 91 7.518 7.518 7.211 0.307 19298 5441 1 11 . 1 1 92 92 ARG N N 92 120.160 120.160 126.356 -6.196 19298 5442 1 11 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.239 0.238 19298 5443 1 11 . 1 1 92 92 ARG C C 92 175.840 175.840 176.048 -0.208 19298 5444 1 11 . 1 1 92 92 ARG CA C 92 56.660 56.660 57.380 -0.721 19298 5445 1 11 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.372 0.178 19298 5446 1 11 . 1 1 92 92 ARG H H 92 8.461 8.461 8.695 -0.234 19298 5447 1 11 . 1 1 93 93 PHE N N 93 126.780 126.780 125.709 1.071 19298 5448 1 11 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.327 -0.270 19298 5449 1 11 . 1 1 93 93 PHE C C 93 171.620 171.620 175.406 -3.786 19298 5450 1 11 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.601 1.409 19298 5451 1 11 . 1 1 93 93 PHE CB C 93 40.480 40.480 40.081 0.399 19298 5452 1 11 . 1 1 93 93 PHE H H 93 8.443 8.443 9.035 -0.592 19298 5453 1 11 . 1 1 94 94 ASP N N 94 110.650 110.650 117.740 -7.090 19298 5454 1 11 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.828 0.041 19298 5455 1 11 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.539 -3.009 19298 5456 1 11 . 1 1 94 94 ASP H H 94 7.860 7.860 7.884 -0.024 19298 5457 1 11 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.307 -0.460 19298 5458 1 11 . 1 1 95 95 PRO C C 95 177.650 177.650 177.648 0.002 19298 5459 1 11 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.417 -1.127 19298 5460 1 11 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.437 -0.347 19298 5461 1 11 . 1 1 96 96 GLU N N 96 115.270 115.270 118.356 -3.086 19298 5462 1 11 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.139 0.086 19298 5463 1 11 . 1 1 96 96 GLU C C 96 175.310 175.310 176.497 -1.187 19298 5464 1 11 . 1 1 96 96 GLU CA C 96 56.170 56.170 57.122 -0.952 19298 5465 1 11 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.953 0.047 19298 5466 1 11 . 1 1 96 96 GLU H H 96 7.944 7.944 8.290 -0.346 19298 5467 1 11 . 1 1 97 97 ASN N N 97 121.610 121.610 119.216 2.394 19298 5468 1 11 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.942 0.260 19298 5469 1 11 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.537 -0.677 19298 5470 1 11 . 1 1 97 97 ASN H H 97 8.190 8.190 7.746 0.444 19298 5471 1 11 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.347 -0.178 19298 5472 1 11 . 1 1 98 98 PRO C C 98 176.940 176.940 176.173 0.767 19298 5473 1 11 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.699 -0.409 19298 5474 1 11 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.931 0.279 19298 5475 1 11 . 1 1 99 99 GLN N N 99 120.230 120.230 120.508 -0.278 19298 5476 1 11 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.245 -0.062 19298 5477 1 11 . 1 1 99 99 GLN C C 99 176.660 176.660 175.218 1.442 19298 5478 1 11 . 1 1 99 99 GLN CA C 99 57.080 57.080 56.109 0.971 19298 5479 1 11 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.144 -0.154 19298 5480 1 11 . 1 1 99 99 GLN H H 99 8.174 8.174 7.995 0.179 19298 5481 1 11 . 1 1 100 100 THR N N 100 117.080 117.080 115.616 1.464 19298 5482 1 11 . 1 1 100 100 THR HA H 100 4.784 4.784 4.443 0.341 19298 5483 1 11 . 1 1 100 100 THR C C 100 174.540 174.540 173.465 1.075 19298 5484 1 11 . 1 1 100 100 THR CA C 100 59.870 59.870 60.227 -0.357 19298 5485 1 11 . 1 1 100 100 THR CB C 100 71.920 71.920 70.597 1.323 19298 5486 1 11 . 1 1 100 100 THR H H 100 8.241 8.241 8.166 0.075 19298 5487 1 11 . 1 1 101 101 LEU N N 101 120.720 120.720 125.041 -4.321 19298 5488 1 11 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.118 -0.479 19298 5489 1 11 . 1 1 101 101 LEU C C 101 177.930 177.930 175.125 2.805 19298 5490 1 11 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.082 0.578 19298 5491 1 11 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.211 0.269 19298 5492 1 11 . 1 1 101 101 LEU H H 101 8.809 8.809 8.952 -0.143 19298 5493 1 11 . 1 1 102 102 ARG N N 102 124.040 124.040 126.485 -2.445 19298 5494 1 11 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.632 0.339 19298 5495 1 11 . 1 1 102 102 ARG C C 102 174.500 174.500 174.054 0.446 19298 5496 1 11 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.131 0.579 19298 5497 1 11 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.416 -0.416 19298 5498 1 11 . 1 1 102 102 ARG H H 102 8.327 8.327 9.059 -0.732 19298 5499 1 11 . 1 1 103 103 LEU N N 103 125.780 125.780 125.651 0.129 19298 5500 1 11 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.837 0.533 19298 5501 1 11 . 1 1 103 103 LEU C C 103 174.660 174.660 176.112 -1.452 19298 5502 1 11 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.862 0.798 19298 5503 1 11 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.256 1.524 19298 5504 1 11 . 1 1 103 103 LEU H H 103 8.825 8.825 8.611 0.214 19298 5505 1 11 . 1 1 104 104 GLU N N 104 119.100 119.100 122.426 -3.326 19298 5506 1 11 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.305 0.204 19298 5507 1 11 . 1 1 104 104 GLU C C 104 175.110 175.110 175.051 0.059 19298 5508 1 11 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.129 0.311 19298 5509 1 11 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.797 0.223 19298 5510 1 11 . 1 1 104 104 GLU H H 104 8.348 8.348 7.928 0.420 19298 5511 1 11 . 1 1 105 105 PHE N N 105 121.070 121.070 120.581 0.489 19298 5512 1 11 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.745 -0.134 19298 5513 1 11 . 1 1 105 105 PHE C C 105 177.060 177.060 176.802 0.258 19298 5514 1 11 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.101 2.089 19298 5515 1 11 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.646 -0.466 19298 5516 1 11 . 1 1 105 105 PHE H H 105 9.227 9.227 8.536 0.691 19298 5517 1 11 . 1 1 106 106 ALA N N 106 124.890 124.890 125.453 -0.563 19298 5518 1 11 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.721 -0.296 19298 5519 1 11 . 1 1 106 106 ALA C C 106 175.860 175.860 177.288 -1.428 19298 5520 1 11 . 1 1 106 106 ALA CA C 106 51.280 51.280 51.590 -0.310 19298 5521 1 11 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.140 -0.390 19298 5522 1 11 . 1 1 106 106 ALA H H 106 9.567 9.567 8.798 0.769 19298 5523 1 11 . 1 1 107 107 LYS N N 107 117.510 117.510 119.295 -1.785 19298 5524 1 11 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.313 -0.141 19298 5525 1 11 . 1 1 107 107 LYS C C 107 176.060 176.060 175.670 0.390 19298 5526 1 11 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.200 -0.050 19298 5527 1 11 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.611 -0.111 19298 5528 1 11 . 1 1 107 107 LYS H H 107 8.581 8.581 8.469 0.112 19298 5529 1 11 . 1 1 108 108 ALA N N 108 118.700 118.700 120.183 -1.483 19298 5530 1 11 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.447 -0.073 19298 5531 1 11 . 1 1 108 108 ALA C C 108 176.650 176.650 175.554 1.096 19298 5532 1 11 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.471 -0.601 19298 5533 1 11 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.881 0.639 19298 5534 1 11 . 1 1 108 108 ALA H H 108 7.731 7.731 7.435 0.296 19298 5535 1 11 . 1 1 109 109 ASN N N 109 116.530 116.530 121.147 -4.617 19298 5536 1 11 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.742 0.231 19298 5537 1 11 . 1 1 109 109 ASN C C 109 175.940 175.940 174.853 1.087 19298 5538 1 11 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.361 -0.231 19298 5539 1 11 . 1 1 109 109 ASN CB C 109 38.670 38.670 39.596 -0.926 19298 5540 1 11 . 1 1 109 109 ASN H H 109 8.936 8.936 8.487 0.449 19298 5541 1 11 . 1 1 110 110 THR N N 110 116.260 116.260 117.336 -1.076 19298 5542 1 11 . 1 1 110 110 THR HA H 110 4.153 4.153 4.405 -0.252 19298 5543 1 11 . 1 1 110 110 THR C C 110 173.240 173.240 174.035 -0.795 19298 5544 1 11 . 1 1 110 110 THR CA C 110 61.990 61.990 61.448 0.542 19298 5545 1 11 . 1 1 110 110 THR CB C 110 69.830 69.830 69.762 0.068 19298 5546 1 11 . 1 1 110 110 THR H H 110 7.437 7.437 8.656 -1.219 19298 5547 1 11 . 1 1 111 111 LYS N N 111 124.500 124.500 130.251 -5.751 19298 5548 1 11 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.479 -0.232 19298 5549 1 11 . 1 1 111 111 LYS C C 111 176.140 176.140 175.982 0.158 19298 5550 1 11 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.486 0.444 19298 5551 1 11 . 1 1 111 111 LYS CB C 111 32.700 32.700 31.397 1.303 19298 5552 1 11 . 1 1 111 111 LYS H H 111 8.248 8.248 8.723 -0.475 19298 5553 1 11 . 1 1 112 112 MET N N 112 122.000 122.000 123.461 -1.461 19298 5554 1 11 . 1 1 112 112 MET HA H 112 4.408 4.408 4.224 0.183 19298 5555 1 11 . 1 1 112 112 MET C C 112 175.550 175.550 176.561 -1.011 19298 5556 1 11 . 1 1 112 112 MET CA C 112 54.780 54.780 57.150 -2.370 19298 5557 1 11 . 1 1 112 112 MET CB C 112 33.280 33.280 33.090 0.190 19298 5558 1 11 . 1 1 112 112 MET H H 112 8.290 8.290 7.998 0.292 19298 5559 1 11 . 1 1 113 113 ALA N N 113 125.150 125.150 121.012 4.138 19298 5560 1 11 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.402 -0.146 19298 5561 1 11 . 1 1 113 113 ALA C C 113 177.580 177.580 176.306 1.274 19298 5562 1 11 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.786 0.684 19298 5563 1 11 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.969 1.171 19298 5564 1 11 . 1 1 113 113 ALA H H 113 8.213 8.213 8.019 0.194 19298 5565 1 11 . 1 1 114 114 LYS N N 114 120.740 120.740 125.316 -4.576 19298 5566 1 11 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.402 -0.146 19298 5567 1 11 . 1 1 114 114 LYS C C 114 176.790 176.790 175.066 1.724 19298 5568 1 11 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.541 -0.202 19298 5569 1 11 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.670 -0.800 19298 5570 1 11 . 1 1 114 114 LYS H H 114 8.261 8.261 8.409 -0.148 19298 5571 1 11 . 1 1 115 115 SER N N 115 116.780 116.780 120.199 -3.419 19298 5572 1 11 . 1 1 115 115 SER HA H 115 4.393 4.393 4.731 -0.338 19298 5573 1 11 . 1 1 115 115 SER C C 115 174.710 174.710 173.782 0.928 19298 5574 1 11 . 1 1 115 115 SER CA C 115 58.410 58.410 57.933 0.477 19298 5575 1 11 . 1 1 115 115 SER CB C 115 63.870 63.870 63.724 0.146 19298 5576 1 11 . 1 1 115 115 SER H H 115 8.268 8.268 8.463 -0.195 19298 5577 1 11 . 1 1 116 116 LYS N N 116 123.210 123.210 125.746 -2.536 19298 5578 1 11 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.472 -0.181 19298 5579 1 11 . 1 1 116 116 LYS C C 116 176.400 176.400 176.436 -0.036 19298 5580 1 11 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.049 0.281 19298 5581 1 11 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.891 -1.181 19298 5582 1 11 . 1 1 116 116 LYS H H 116 8.346 8.346 8.341 0.005 19298 5583 1 11 . 1 1 117 117 LEU N N 117 122.470 122.470 125.676 -3.206 19298 5584 1 11 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.272 0.004 19298 5585 1 11 . 1 1 117 117 LEU C C 117 177.080 177.080 177.316 -0.236 19298 5586 1 11 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.633 -1.583 19298 5587 1 11 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.567 -0.357 19298 5588 1 11 . 1 1 117 117 LEU H H 117 8.093 8.093 8.506 -0.413 19298 5589 1 12 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.511 -0.145 19298 5590 1 12 . 1 1 27 27 GLU C C 27 176.230 176.230 175.105 1.125 19298 5591 1 12 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.348 -0.108 19298 5592 1 12 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.596 0.124 19298 5593 1 12 . 1 1 28 28 GLU N N 28 122.500 122.500 118.304 4.196 19298 5594 1 12 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.050 0.212 19298 5595 1 12 . 1 1 28 28 GLU C C 28 175.860 175.860 175.775 0.085 19298 5596 1 12 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.977 -0.617 19298 5597 1 12 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.001 1.509 19298 5598 1 12 . 1 1 28 28 GLU H H 28 8.521 8.521 8.239 0.282 19298 5599 1 12 . 1 1 29 29 GLU N N 29 123.290 123.290 121.171 2.119 19298 5600 1 12 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.344 -0.113 19298 5601 1 12 . 1 1 29 29 GLU C C 29 176.740 176.740 176.189 0.551 19298 5602 1 12 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.778 0.582 19298 5603 1 12 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.815 0.025 19298 5604 1 12 . 1 1 29 29 GLU H H 29 8.521 8.521 8.273 0.248 19298 5605 1 12 . 1 1 30 30 VAL N N 30 125.640 125.640 120.724 4.916 19298 5606 1 12 . 1 1 30 30 VAL HA H 30 3.807 3.807 3.947 -0.140 19298 5607 1 12 . 1 1 30 30 VAL C C 30 175.110 175.110 175.423 -0.313 19298 5608 1 12 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.368 1.712 19298 5609 1 12 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.710 -0.380 19298 5610 1 12 . 1 1 30 30 VAL H H 30 8.715 8.715 8.281 0.434 19298 5611 1 12 . 1 1 31 31 ARG N N 31 124.730 124.730 126.415 -1.685 19298 5612 1 12 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.594 0.080 19298 5613 1 12 . 1 1 31 31 ARG C C 31 172.600 172.600 175.046 -2.446 19298 5614 1 12 . 1 1 31 31 ARG CA C 31 54.580 54.580 56.400 -1.819 19298 5615 1 12 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.168 -1.418 19298 5616 1 12 . 1 1 31 31 ARG H H 31 9.378 9.378 8.098 1.280 19298 5617 1 12 . 1 1 32 32 THR N N 32 115.380 115.380 115.194 0.186 19298 5618 1 12 . 1 1 32 32 THR HA H 32 5.471 5.471 5.543 -0.072 19298 5619 1 12 . 1 1 32 32 THR C C 32 173.810 173.810 173.108 0.702 19298 5620 1 12 . 1 1 32 32 THR CA C 32 61.250 61.250 61.737 -0.487 19298 5621 1 12 . 1 1 32 32 THR CB C 32 71.360 71.360 71.798 -0.438 19298 5622 1 12 . 1 1 32 32 THR H H 32 7.144 7.144 7.535 -0.391 19298 5623 1 12 . 1 1 33 33 LEU N N 33 124.600 124.600 125.764 -1.164 19298 5624 1 12 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.143 -0.216 19298 5625 1 12 . 1 1 33 33 LEU C C 33 174.960 174.960 175.460 -0.500 19298 5626 1 12 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.601 -0.711 19298 5627 1 12 . 1 1 33 33 LEU CB C 33 44.910 44.910 45.318 -0.408 19298 5628 1 12 . 1 1 33 33 LEU H H 33 9.701 9.701 9.424 0.277 19298 5629 1 12 . 1 1 34 34 PHE N N 34 122.600 122.600 120.806 1.794 19298 5630 1 12 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.060 0.029 19298 5631 1 12 . 1 1 34 34 PHE C C 34 174.530 174.530 174.023 0.507 19298 5632 1 12 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.352 0.388 19298 5633 1 12 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.376 2.034 19298 5634 1 12 . 1 1 34 34 PHE H H 34 9.411 9.411 9.170 0.241 19298 5635 1 12 . 1 1 35 35 VAL N N 35 127.050 127.050 127.725 -0.675 19298 5636 1 12 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.416 0.310 19298 5637 1 12 . 1 1 35 35 VAL C C 35 173.520 173.520 175.558 -2.038 19298 5638 1 12 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.572 -0.922 19298 5639 1 12 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.882 2.288 19298 5640 1 12 . 1 1 35 35 VAL H H 35 8.878 8.878 8.672 0.206 19298 5641 1 12 . 1 1 36 36 SER N N 36 120.260 120.260 120.918 -0.658 19298 5642 1 12 . 1 1 36 36 SER HA H 36 4.876 4.876 4.731 0.145 19298 5643 1 12 . 1 1 36 36 SER C C 36 173.170 173.170 174.506 -1.336 19298 5644 1 12 . 1 1 36 36 SER CA C 36 56.700 56.700 56.518 0.182 19298 5645 1 12 . 1 1 36 36 SER CB C 36 65.440 65.440 65.868 -0.428 19298 5646 1 12 . 1 1 36 36 SER H H 36 8.964 8.964 8.772 0.192 19298 5647 1 12 . 1 1 37 37 GLY N N 37 108.690 108.690 108.261 0.429 19298 5648 1 12 . 1 1 37 37 GLY C C 37 174.150 174.150 173.326 0.824 19298 5649 1 12 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.430 0.100 19298 5650 1 12 . 1 1 37 37 GLY H H 37 8.567 8.567 8.980 -0.413 19298 5651 1 12 . 1 1 38 38 LEU N N 38 118.640 118.640 120.799 -2.159 19298 5652 1 12 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.351 -0.451 19298 5653 1 12 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.194 0.216 19298 5654 1 12 . 1 1 38 38 LEU H H 38 7.426 7.426 7.703 -0.277 19298 5655 1 12 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.332 0.218 19298 5656 1 12 . 1 1 39 39 PRO C C 39 177.540 177.540 177.086 0.454 19298 5657 1 12 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.492 -0.362 19298 5658 1 12 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.525 -0.315 19298 5659 1 12 . 1 1 40 40 VAL N N 40 114.990 114.990 119.402 -4.412 19298 5660 1 12 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.969 -0.285 19298 5661 1 12 . 1 1 40 40 VAL C C 40 175.650 175.650 175.292 0.358 19298 5662 1 12 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.886 0.573 19298 5663 1 12 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.863 -0.133 19298 5664 1 12 . 1 1 40 40 VAL H H 40 8.311 8.311 8.357 -0.046 19298 5665 1 12 . 1 1 41 41 ASP N N 41 117.410 117.410 118.339 -0.929 19298 5666 1 12 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.650 0.034 19298 5667 1 12 . 1 1 41 41 ASP C C 41 176.140 176.140 176.164 -0.024 19298 5668 1 12 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.806 -1.006 19298 5669 1 12 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.155 -0.475 19298 5670 1 12 . 1 1 41 41 ASP H H 41 7.809 7.809 8.068 -0.259 19298 5671 1 12 . 1 1 42 42 ILE N N 42 119.180 119.180 116.825 2.355 19298 5672 1 12 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.518 -0.434 19298 5673 1 12 . 1 1 42 42 ILE C C 42 173.940 173.940 176.098 -2.158 19298 5674 1 12 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.659 -0.889 19298 5675 1 12 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.716 1.024 19298 5676 1 12 . 1 1 42 42 ILE H H 42 7.098 7.098 7.392 -0.294 19298 5677 1 12 . 1 1 43 43 LYS N N 43 126.520 126.520 127.793 -1.273 19298 5678 1 12 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.843 0.150 19298 5679 1 12 . 1 1 43 43 LYS CA C 43 53.600 53.600 53.166 0.433 19298 5680 1 12 . 1 1 43 43 LYS H H 43 8.963 8.963 8.883 0.080 19298 5681 1 12 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.290 -0.190 19298 5682 1 12 . 1 1 44 44 PRO C C 44 180.110 180.110 177.989 2.121 19298 5683 1 12 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.433 1.257 19298 5684 1 12 . 1 1 44 44 PRO CB C 44 31.810 31.810 32.160 -0.350 19298 5685 1 12 . 1 1 45 45 ARG N N 45 115.440 115.440 117.299 -1.859 19298 5686 1 12 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.144 0.099 19298 5687 1 12 . 1 1 45 45 ARG C C 45 176.200 176.200 178.286 -2.086 19298 5688 1 12 . 1 1 45 45 ARG CA C 45 58.550 58.550 59.210 -0.660 19298 5689 1 12 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.215 1.205 19298 5690 1 12 . 1 1 45 45 ARG H H 45 8.922 8.922 8.809 0.113 19298 5691 1 12 . 1 1 46 46 GLU N N 46 119.720 119.720 120.718 -0.998 19298 5692 1 12 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.131 -0.093 19298 5693 1 12 . 1 1 46 46 GLU C C 46 178.820 178.820 179.285 -0.465 19298 5694 1 12 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.129 1.081 19298 5695 1 12 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.537 1.343 19298 5696 1 12 . 1 1 46 46 GLU H H 46 8.340 8.340 7.812 0.528 19298 5697 1 12 . 1 1 47 47 LEU N N 47 115.570 115.570 120.171 -4.601 19298 5698 1 12 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.102 0.271 19298 5699 1 12 . 1 1 47 47 LEU C C 47 178.380 178.380 178.824 -0.444 19298 5700 1 12 . 1 1 47 47 LEU CA C 47 57.520 57.520 58.034 -0.514 19298 5701 1 12 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.816 -0.136 19298 5702 1 12 . 1 1 47 47 LEU H H 47 7.196 7.196 7.635 -0.439 19298 5703 1 12 . 1 1 48 48 TYR N N 48 119.670 119.670 120.316 -0.646 19298 5704 1 12 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.000 0.209 19298 5705 1 12 . 1 1 48 48 TYR C C 48 176.380 176.380 177.774 -1.394 19298 5706 1 12 . 1 1 48 48 TYR CA C 48 60.630 60.630 62.120 -1.490 19298 5707 1 12 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.511 -1.881 19298 5708 1 12 . 1 1 48 48 TYR H H 48 6.816 6.816 7.978 -1.162 19298 5709 1 12 . 1 1 49 49 LEU N N 49 118.190 118.190 118.687 -0.497 19298 5710 1 12 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.897 -0.695 19298 5711 1 12 . 1 1 49 49 LEU C C 49 179.030 179.030 179.569 -0.539 19298 5712 1 12 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.585 0.155 19298 5713 1 12 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.621 1.609 19298 5714 1 12 . 1 1 49 49 LEU H H 49 8.129 8.129 8.440 -0.311 19298 5715 1 12 . 1 1 50 50 LEU N N 50 117.130 117.130 120.952 -3.822 19298 5716 1 12 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.967 -0.257 19298 5717 1 12 . 1 1 50 50 LEU C C 50 176.420 176.420 177.841 -1.421 19298 5718 1 12 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.673 -0.383 19298 5719 1 12 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.102 0.538 19298 5720 1 12 . 1 1 50 50 LEU H H 50 7.543 7.543 7.785 -0.242 19298 5721 1 12 . 1 1 51 51 PHE N N 51 110.420 110.420 114.694 -4.274 19298 5722 1 12 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.569 0.091 19298 5723 1 12 . 1 1 51 51 PHE C C 51 175.110 175.110 177.162 -2.052 19298 5724 1 12 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.667 0.973 19298 5725 1 12 . 1 1 51 51 PHE CB C 51 40.250 40.250 37.745 2.505 19298 5726 1 12 . 1 1 51 51 PHE H H 51 7.439 7.439 8.222 -0.783 19298 5727 1 12 . 1 1 52 52 ARG N N 52 120.680 120.680 120.515 0.165 19298 5728 1 12 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.045 -0.302 19298 5729 1 12 . 1 1 52 52 ARG CA C 52 59.920 59.920 59.295 0.625 19298 5730 1 12 . 1 1 52 52 ARG H H 52 7.865 7.865 7.307 0.558 19298 5731 1 12 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.477 -0.275 19298 5732 1 12 . 1 1 53 53 PRO C C 53 176.600 176.600 176.154 0.446 19298 5733 1 12 . 1 1 53 53 PRO CA C 53 64.540 64.540 62.699 1.841 19298 5734 1 12 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.777 -0.817 19298 5735 1 12 . 1 1 54 54 PHE N N 54 117.470 117.470 121.421 -3.951 19298 5736 1 12 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.617 -0.361 19298 5737 1 12 . 1 1 54 54 PHE C C 54 175.500 175.500 175.366 0.134 19298 5738 1 12 . 1 1 54 54 PHE CA C 54 59.200 59.200 57.393 1.807 19298 5739 1 12 . 1 1 54 54 PHE CB C 54 38.680 38.680 39.227 -0.548 19298 5740 1 12 . 1 1 54 54 PHE H H 54 7.943 7.943 7.662 0.281 19298 5741 1 12 . 1 1 55 55 LYS N N 55 126.460 126.460 127.320 -0.860 19298 5742 1 12 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.361 -0.208 19298 5743 1 12 . 1 1 55 55 LYS C C 55 177.900 177.900 176.602 1.298 19298 5744 1 12 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.267 0.773 19298 5745 1 12 . 1 1 55 55 LYS CB C 55 32.530 32.530 32.264 0.266 19298 5746 1 12 . 1 1 55 55 LYS H H 55 8.571 8.571 8.759 -0.188 19298 5747 1 12 . 1 1 56 56 GLY N N 56 112.780 112.780 111.930 0.850 19298 5748 1 12 . 1 1 56 56 GLY C C 56 174.830 174.830 173.938 0.892 19298 5749 1 12 . 1 1 56 56 GLY CA C 56 45.150 45.150 45.166 -0.016 19298 5750 1 12 . 1 1 56 56 GLY H H 56 9.045 9.045 8.433 0.612 19298 5751 1 12 . 1 1 57 57 TYR N N 57 121.700 121.700 124.241 -2.541 19298 5752 1 12 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.784 -0.708 19298 5753 1 12 . 1 1 57 57 TYR C C 57 175.260 175.260 174.862 0.398 19298 5754 1 12 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.523 0.127 19298 5755 1 12 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.728 0.462 19298 5756 1 12 . 1 1 57 57 TYR H H 57 7.560 7.560 7.742 -0.182 19298 5757 1 12 . 1 1 58 58 GLU N N 58 128.500 128.500 127.315 1.185 19298 5758 1 12 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.208 0.060 19298 5759 1 12 . 1 1 58 58 GLU C C 58 175.700 175.700 175.707 -0.007 19298 5760 1 12 . 1 1 58 58 GLU CA C 58 56.340 56.340 56.461 -0.121 19298 5761 1 12 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.893 -0.163 19298 5762 1 12 . 1 1 58 58 GLU H H 58 8.356 8.356 8.634 -0.278 19298 5763 1 12 . 1 1 59 59 GLY N N 59 104.920 104.920 107.286 -2.366 19298 5764 1 12 . 1 1 59 59 GLY C C 59 170.310 170.310 172.025 -1.715 19298 5765 1 12 . 1 1 59 59 GLY CA C 59 45.530 45.530 45.173 0.357 19298 5766 1 12 . 1 1 59 59 GLY H H 59 6.411 6.411 7.127 -0.716 19298 5767 1 12 . 1 1 60 60 SER N N 60 110.020 110.020 115.325 -5.305 19298 5768 1 12 . 1 1 60 60 SER HA H 60 5.468 5.468 5.211 0.257 19298 5769 1 12 . 1 1 60 60 SER C C 60 172.470 172.470 173.902 -1.432 19298 5770 1 12 . 1 1 60 60 SER CA C 60 57.170 57.170 57.069 0.101 19298 5771 1 12 . 1 1 60 60 SER CB C 60 66.610 66.610 66.359 0.251 19298 5772 1 12 . 1 1 60 60 SER H H 60 8.280 8.280 8.267 0.013 19298 5773 1 12 . 1 1 61 61 LEU N N 61 118.490 118.490 125.402 -6.912 19298 5774 1 12 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.773 -0.030 19298 5775 1 12 . 1 1 61 61 LEU C C 61 174.600 174.600 175.563 -0.963 19298 5776 1 12 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.659 1.021 19298 5777 1 12 . 1 1 61 61 LEU CB C 61 45.380 45.380 42.144 3.236 19298 5778 1 12 . 1 1 61 61 LEU H H 61 8.953 8.953 9.090 -0.137 19298 5779 1 12 . 1 1 62 62 ILE N N 62 120.760 120.760 124.818 -4.058 19298 5780 1 12 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.799 0.118 19298 5781 1 12 . 1 1 62 62 ILE C C 62 175.600 175.600 175.969 -0.369 19298 5782 1 12 . 1 1 62 62 ILE CA C 62 59.490 59.490 60.363 -0.873 19298 5783 1 12 . 1 1 62 62 ILE CB C 62 39.920 39.920 39.420 0.500 19298 5784 1 12 . 1 1 62 62 ILE H H 62 8.639 8.639 8.686 -0.047 19298 5785 1 12 . 1 1 63 63 LYS N N 63 127.240 127.240 128.215 -0.975 19298 5786 1 12 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.683 0.019 19298 5787 1 12 . 1 1 63 63 LYS C C 63 174.700 174.700 174.631 0.069 19298 5788 1 12 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.723 -0.173 19298 5789 1 12 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.083 0.407 19298 5790 1 12 . 1 1 63 63 LYS H H 63 9.145 9.145 8.972 0.173 19298 5791 1 12 . 1 1 64 64 LEU N N 64 124.700 124.700 128.759 -4.059 19298 5792 1 12 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.480 0.222 19298 5793 1 12 . 1 1 64 64 LEU C C 64 177.470 177.470 176.250 1.220 19298 5794 1 12 . 1 1 64 64 LEU CA C 64 54.590 54.590 54.843 -0.253 19298 5795 1 12 . 1 1 64 64 LEU CB C 64 42.420 42.420 40.827 1.593 19298 5796 1 12 . 1 1 64 64 LEU H H 64 8.648 8.648 8.807 -0.159 19298 5797 1 12 . 1 1 65 65 THR N N 65 116.860 116.860 122.735 -5.875 19298 5798 1 12 . 1 1 65 65 THR HA H 65 4.521 4.521 4.502 0.019 19298 5799 1 12 . 1 1 65 65 THR C C 65 174.160 174.160 173.739 0.421 19298 5800 1 12 . 1 1 65 65 THR CA C 65 60.990 60.990 60.913 0.077 19298 5801 1 12 . 1 1 65 65 THR CB C 65 70.630 70.630 70.654 -0.024 19298 5802 1 12 . 1 1 65 65 THR H H 65 8.330 8.330 8.011 0.319 19298 5803 1 12 . 1 1 66 66 ALA N N 66 127.310 127.310 124.460 2.850 19298 5804 1 12 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.138 0.032 19298 5805 1 12 . 1 1 66 66 ALA C C 66 177.060 177.060 178.791 -1.731 19298 5806 1 12 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.184 -0.594 19298 5807 1 12 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.854 -0.794 19298 5808 1 12 . 1 1 66 66 ALA H H 66 8.834 8.834 8.388 0.446 19298 5809 1 12 . 1 1 67 67 ARG N N 67 113.660 113.660 118.615 -4.955 19298 5810 1 12 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.246 -0.182 19298 5811 1 12 . 1 1 67 67 ARG C C 67 175.400 175.400 175.049 0.351 19298 5812 1 12 . 1 1 67 67 ARG CA C 67 57.310 57.310 57.303 0.007 19298 5813 1 12 . 1 1 67 67 ARG CB C 67 29.770 29.770 30.699 -0.929 19298 5814 1 12 . 1 1 67 67 ARG H H 67 8.335 8.335 8.124 0.211 19298 5815 1 12 . 1 1 68 68 GLN N N 68 118.790 118.790 112.669 6.121 19298 5816 1 12 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.550 0.265 19298 5817 1 12 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.719 0.561 19298 5818 1 12 . 1 1 68 68 GLN H H 68 7.832 7.832 7.727 0.105 19298 5819 1 12 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.954 -0.108 19298 5820 1 12 . 1 1 69 69 PRO C C 69 175.480 175.480 177.049 -1.569 19298 5821 1 12 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.555 0.345 19298 5822 1 12 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.423 1.027 19298 5823 1 12 . 1 1 70 70 VAL N N 70 117.700 117.700 119.915 -2.215 19298 5824 1 12 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.326 0.216 19298 5825 1 12 . 1 1 70 70 VAL C C 70 174.470 174.470 175.106 -0.636 19298 5826 1 12 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.543 -0.503 19298 5827 1 12 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.849 2.071 19298 5828 1 12 . 1 1 70 70 VAL H H 70 8.722 8.722 8.560 0.162 19298 5829 1 12 . 1 1 71 71 GLY N N 71 107.930 107.930 108.201 -0.271 19298 5830 1 12 . 1 1 71 71 GLY C C 71 171.000 171.000 172.573 -1.573 19298 5831 1 12 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.347 -0.357 19298 5832 1 12 . 1 1 71 71 GLY H H 71 8.716 8.716 8.399 0.317 19298 5833 1 12 . 1 1 72 72 PHE N N 72 119.400 119.400 125.643 -6.243 19298 5834 1 12 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.334 0.301 19298 5835 1 12 . 1 1 72 72 PHE C C 72 175.350 175.350 175.715 -0.365 19298 5836 1 12 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.347 -0.517 19298 5837 1 12 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.479 2.631 19298 5838 1 12 . 1 1 72 72 PHE H H 72 8.934 8.934 9.252 -0.318 19298 5839 1 12 . 1 1 73 73 VAL N N 73 122.000 122.000 125.640 -3.640 19298 5840 1 12 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.476 0.087 19298 5841 1 12 . 1 1 73 73 VAL C C 73 172.930 172.930 175.528 -2.598 19298 5842 1 12 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.512 -0.752 19298 5843 1 12 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.720 1.850 19298 5844 1 12 . 1 1 73 73 VAL H H 73 8.934 8.934 8.974 -0.040 19298 5845 1 12 . 1 1 74 74 ILE N N 74 128.000 128.000 122.041 5.959 19298 5846 1 12 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.390 -0.523 19298 5847 1 12 . 1 1 74 74 ILE C C 74 173.700 173.700 174.588 -0.888 19298 5848 1 12 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.151 1.729 19298 5849 1 12 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.511 -6.111 19298 5850 1 12 . 1 1 74 74 ILE H H 74 8.702 8.702 8.623 0.079 19298 5851 1 12 . 1 1 75 75 PHE N N 75 125.200 125.200 124.731 0.469 19298 5852 1 12 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.219 -0.072 19298 5853 1 12 . 1 1 75 75 PHE C C 75 175.880 175.880 175.818 0.062 19298 5854 1 12 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.040 -0.820 19298 5855 1 12 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.553 2.127 19298 5856 1 12 . 1 1 75 75 PHE H H 75 8.200 8.200 8.930 -0.730 19298 5857 1 12 . 1 1 76 76 ASP N N 76 119.150 119.150 120.524 -1.374 19298 5858 1 12 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.449 -0.172 19298 5859 1 12 . 1 1 76 76 ASP C C 76 176.020 176.020 176.041 -0.021 19298 5860 1 12 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.887 -1.307 19298 5861 1 12 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.696 -1.175 19298 5862 1 12 . 1 1 76 76 ASP H H 76 9.400 9.400 8.991 0.409 19298 5863 1 12 . 1 1 77 77 SER N N 77 111.280 111.280 109.598 1.682 19298 5864 1 12 . 1 1 77 77 SER HA H 77 4.683 4.683 4.721 -0.038 19298 5865 1 12 . 1 1 77 77 SER C C 77 173.670 173.670 174.600 -0.930 19298 5866 1 12 . 1 1 77 77 SER CA C 77 56.620 56.620 57.475 -0.855 19298 5867 1 12 . 1 1 77 77 SER CB C 77 66.470 66.470 65.356 1.114 19298 5868 1 12 . 1 1 77 77 SER H H 77 7.804 7.804 7.684 0.120 19298 5869 1 12 . 1 1 78 78 ARG N N 78 125.240 125.240 123.705 1.535 19298 5870 1 12 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.376 -0.346 19298 5871 1 12 . 1 1 78 78 ARG C C 78 177.710 177.710 177.910 -0.200 19298 5872 1 12 . 1 1 78 78 ARG CA C 78 59.870 59.870 59.018 0.852 19298 5873 1 12 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.802 -0.002 19298 5874 1 12 . 1 1 78 78 ARG H H 78 9.348 9.348 9.069 0.279 19298 5875 1 12 . 1 1 79 79 ALA N N 79 120.700 120.700 121.282 -0.582 19298 5876 1 12 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.413 -0.213 19298 5877 1 12 . 1 1 79 79 ALA C C 79 181.360 181.360 179.081 2.279 19298 5878 1 12 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.352 0.928 19298 5879 1 12 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.475 -0.325 19298 5880 1 12 . 1 1 79 79 ALA H H 79 8.660 8.660 8.422 0.238 19298 5881 1 12 . 1 1 80 80 GLY N N 80 107.500 107.500 105.731 1.769 19298 5882 1 12 . 1 1 80 80 GLY C C 80 175.710 175.710 175.335 0.375 19298 5883 1 12 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.895 0.895 19298 5884 1 12 . 1 1 80 80 GLY H H 80 8.161 8.161 7.649 0.512 19298 5885 1 12 . 1 1 81 81 ALA N N 81 124.650 124.650 124.936 -0.286 19298 5886 1 12 . 1 1 81 81 ALA HA H 81 2.576 2.576 2.897 -0.321 19298 5887 1 12 . 1 1 81 81 ALA C C 81 178.570 178.570 179.107 -0.537 19298 5888 1 12 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.597 -0.377 19298 5889 1 12 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.227 -0.047 19298 5890 1 12 . 1 1 81 81 ALA H H 81 7.298 7.298 7.615 -0.317 19298 5891 1 12 . 1 1 82 82 GLU N N 82 118.890 118.890 117.788 1.102 19298 5892 1 12 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.807 -0.076 19298 5893 1 12 . 1 1 82 82 GLU C C 82 177.800 177.800 178.620 -0.820 19298 5894 1 12 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.170 0.390 19298 5895 1 12 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.297 0.562 19298 5896 1 12 . 1 1 82 82 GLU H H 82 8.930 8.930 8.737 0.193 19298 5897 1 12 . 1 1 83 83 ALA N N 83 119.410 119.410 122.027 -2.617 19298 5898 1 12 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.157 -0.040 19298 5899 1 12 . 1 1 83 83 ALA C C 83 180.810 180.810 179.573 1.237 19298 5900 1 12 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.659 0.231 19298 5901 1 12 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.132 0.018 19298 5902 1 12 . 1 1 83 83 ALA H H 83 7.572 7.572 7.535 0.037 19298 5903 1 12 . 1 1 84 84 ALA N N 84 120.280 120.280 121.172 -0.892 19298 5904 1 12 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.311 -1.171 19298 5905 1 12 . 1 1 84 84 ALA C C 84 178.010 178.010 179.479 -1.469 19298 5906 1 12 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.358 -0.627 19298 5907 1 12 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.448 0.262 19298 5908 1 12 . 1 1 84 84 ALA H H 84 6.950 6.950 8.031 -1.081 19298 5909 1 12 . 1 1 85 85 LYS N N 85 118.040 118.040 117.790 0.250 19298 5910 1 12 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.855 -0.267 19298 5911 1 12 . 1 1 85 85 LYS C C 85 177.700 177.700 178.568 -0.868 19298 5912 1 12 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.181 0.379 19298 5913 1 12 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.859 0.231 19298 5914 1 12 . 1 1 85 85 LYS H H 85 8.042 8.042 8.255 -0.213 19298 5915 1 12 . 1 1 86 86 ASN N N 86 114.630 114.630 118.728 -4.098 19298 5916 1 12 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.492 -0.019 19298 5917 1 12 . 1 1 86 86 ASN C C 86 177.320 177.320 177.056 0.264 19298 5918 1 12 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.507 -0.437 19298 5919 1 12 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.117 -0.127 19298 5920 1 12 . 1 1 86 86 ASN H H 86 8.087 8.087 7.810 0.277 19298 5921 1 12 . 1 1 87 87 ALA N N 87 120.200 120.200 121.219 -1.019 19298 5922 1 12 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.175 0.132 19298 5923 1 12 . 1 1 87 87 ALA C C 87 179.630 179.630 178.822 0.808 19298 5924 1 12 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.386 -0.086 19298 5925 1 12 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.600 0.580 19298 5926 1 12 . 1 1 87 87 ALA H H 87 7.557 7.557 7.984 -0.427 19298 5927 1 12 . 1 1 88 88 LEU N N 88 114.210 114.210 116.372 -2.162 19298 5928 1 12 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.384 0.029 19298 5929 1 12 . 1 1 88 88 LEU C C 88 176.580 176.580 176.556 0.024 19298 5930 1 12 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.295 0.115 19298 5931 1 12 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.324 2.006 19298 5932 1 12 . 1 1 88 88 LEU H H 88 7.561 7.561 7.994 -0.433 19298 5933 1 12 . 1 1 89 89 ASN N N 89 117.970 117.970 117.575 0.395 19298 5934 1 12 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.571 -0.315 19298 5935 1 12 . 1 1 89 89 ASN C C 89 177.700 177.700 176.425 1.275 19298 5936 1 12 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.905 2.085 19298 5937 1 12 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.236 0.334 19298 5938 1 12 . 1 1 89 89 ASN H H 89 7.550 7.550 7.820 -0.270 19298 5939 1 12 . 1 1 90 90 GLY N N 90 112.220 112.220 112.620 -0.400 19298 5940 1 12 . 1 1 90 90 GLY C C 90 174.360 174.360 173.754 0.606 19298 5941 1 12 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.923 0.837 19298 5942 1 12 . 1 1 90 90 GLY H H 90 8.734 8.734 9.021 -0.287 19298 5943 1 12 . 1 1 91 91 ILE N N 91 115.840 115.840 121.469 -5.629 19298 5944 1 12 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.297 0.179 19298 5945 1 12 . 1 1 91 91 ILE C C 91 175.940 175.940 174.466 1.474 19298 5946 1 12 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.444 1.076 19298 5947 1 12 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.836 -0.816 19298 5948 1 12 . 1 1 91 91 ILE H H 91 7.518 7.518 7.402 0.116 19298 5949 1 12 . 1 1 92 92 ARG N N 92 120.160 120.160 126.751 -6.591 19298 5950 1 12 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.320 0.157 19298 5951 1 12 . 1 1 92 92 ARG C C 92 175.840 175.840 176.117 -0.277 19298 5952 1 12 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.924 -0.264 19298 5953 1 12 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.693 -0.143 19298 5954 1 12 . 1 1 92 92 ARG H H 92 8.461 8.461 8.732 -0.271 19298 5955 1 12 . 1 1 93 93 PHE N N 93 126.780 126.780 124.423 2.357 19298 5956 1 12 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.341 -0.284 19298 5957 1 12 . 1 1 93 93 PHE C C 93 171.620 171.620 175.336 -3.716 19298 5958 1 12 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.801 1.209 19298 5959 1 12 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.982 0.498 19298 5960 1 12 . 1 1 93 93 PHE H H 93 8.443 8.443 8.860 -0.417 19298 5961 1 12 . 1 1 94 94 ASP N N 94 110.650 110.650 117.674 -7.024 19298 5962 1 12 . 1 1 94 94 ASP HA H 94 4.869 4.869 5.019 -0.150 19298 5963 1 12 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.984 -3.454 19298 5964 1 12 . 1 1 94 94 ASP H H 94 7.860 7.860 7.859 0.001 19298 5965 1 12 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.201 -0.354 19298 5966 1 12 . 1 1 95 95 PRO C C 95 177.650 177.650 177.768 -0.118 19298 5967 1 12 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.975 -1.685 19298 5968 1 12 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.199 -0.109 19298 5969 1 12 . 1 1 96 96 GLU N N 96 115.270 115.270 114.985 0.285 19298 5970 1 12 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.289 -0.064 19298 5971 1 12 . 1 1 96 96 GLU C C 96 175.310 175.310 176.286 -0.976 19298 5972 1 12 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.267 -0.097 19298 5973 1 12 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.492 0.507 19298 5974 1 12 . 1 1 96 96 GLU H H 96 7.944 7.944 8.485 -0.540 19298 5975 1 12 . 1 1 97 97 ASN N N 97 121.610 121.610 119.946 1.664 19298 5976 1 12 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.016 0.186 19298 5977 1 12 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.318 -0.458 19298 5978 1 12 . 1 1 97 97 ASN H H 97 8.190 8.190 7.607 0.583 19298 5979 1 12 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.291 -0.122 19298 5980 1 12 . 1 1 98 98 PRO C C 98 176.940 176.940 175.805 1.135 19298 5981 1 12 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.869 -0.579 19298 5982 1 12 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.935 0.275 19298 5983 1 12 . 1 1 99 99 GLN N N 99 120.230 120.230 120.113 0.117 19298 5984 1 12 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.301 -0.118 19298 5985 1 12 . 1 1 99 99 GLN C C 99 176.660 176.660 174.800 1.860 19298 5986 1 12 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.151 1.929 19298 5987 1 12 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.692 0.298 19298 5988 1 12 . 1 1 99 99 GLN H H 99 8.174 8.174 8.169 0.005 19298 5989 1 12 . 1 1 100 100 THR N N 100 117.080 117.080 115.079 2.001 19298 5990 1 12 . 1 1 100 100 THR HA H 100 4.784 4.784 4.554 0.230 19298 5991 1 12 . 1 1 100 100 THR C C 100 174.540 174.540 173.650 0.890 19298 5992 1 12 . 1 1 100 100 THR CA C 100 59.870 59.870 59.410 0.460 19298 5993 1 12 . 1 1 100 100 THR CB C 100 71.920 71.920 71.256 0.664 19298 5994 1 12 . 1 1 100 100 THR H H 100 8.241 8.241 8.095 0.146 19298 5995 1 12 . 1 1 101 101 LEU N N 101 120.720 120.720 123.509 -2.789 19298 5996 1 12 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.004 -0.365 19298 5997 1 12 . 1 1 101 101 LEU C C 101 177.930 177.930 176.191 1.739 19298 5998 1 12 . 1 1 101 101 LEU CA C 101 54.660 54.660 55.179 -0.519 19298 5999 1 12 . 1 1 101 101 LEU CB C 101 44.480 44.480 42.633 1.847 19298 6000 1 12 . 1 1 101 101 LEU H H 101 8.809 8.809 9.079 -0.270 19298 6001 1 12 . 1 1 102 102 ARG N N 102 124.040 124.040 122.562 1.478 19298 6002 1 12 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.635 0.336 19298 6003 1 12 . 1 1 102 102 ARG C C 102 174.500 174.500 174.270 0.230 19298 6004 1 12 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.579 0.131 19298 6005 1 12 . 1 1 102 102 ARG CB C 102 32.000 32.000 31.549 0.451 19298 6006 1 12 . 1 1 102 102 ARG H H 102 8.327 8.327 9.111 -0.784 19298 6007 1 12 . 1 1 103 103 LEU N N 103 125.780 125.780 126.745 -0.965 19298 6008 1 12 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.779 0.591 19298 6009 1 12 . 1 1 103 103 LEU C C 103 174.660 174.660 176.010 -1.350 19298 6010 1 12 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.310 0.350 19298 6011 1 12 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.910 1.870 19298 6012 1 12 . 1 1 103 103 LEU H H 103 8.825 8.825 8.584 0.241 19298 6013 1 12 . 1 1 104 104 GLU N N 104 119.100 119.100 120.493 -1.393 19298 6014 1 12 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.292 0.217 19298 6015 1 12 . 1 1 104 104 GLU C C 104 175.110 175.110 175.096 0.014 19298 6016 1 12 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.351 0.089 19298 6017 1 12 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.742 0.278 19298 6018 1 12 . 1 1 104 104 GLU H H 104 8.348 8.348 7.852 0.496 19298 6019 1 12 . 1 1 105 105 PHE N N 105 121.070 121.070 119.517 1.553 19298 6020 1 12 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.505 0.106 19298 6021 1 12 . 1 1 105 105 PHE C C 105 177.060 177.060 176.847 0.213 19298 6022 1 12 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.127 2.063 19298 6023 1 12 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.793 -0.613 19298 6024 1 12 . 1 1 105 105 PHE H H 105 9.227 9.227 8.625 0.602 19298 6025 1 12 . 1 1 106 106 ALA N N 106 124.890 124.890 126.781 -1.891 19298 6026 1 12 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.819 -0.394 19298 6027 1 12 . 1 1 106 106 ALA C C 106 175.860 175.860 177.070 -1.210 19298 6028 1 12 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.109 -0.830 19298 6029 1 12 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.226 -0.476 19298 6030 1 12 . 1 1 106 106 ALA H H 106 9.567 9.567 8.794 0.773 19298 6031 1 12 . 1 1 107 107 LYS N N 107 117.510 117.510 119.729 -2.219 19298 6032 1 12 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.204 -0.032 19298 6033 1 12 . 1 1 107 107 LYS C C 107 176.060 176.060 175.778 0.282 19298 6034 1 12 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.388 -0.238 19298 6035 1 12 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.578 -0.078 19298 6036 1 12 . 1 1 107 107 LYS H H 107 8.581 8.581 8.503 0.078 19298 6037 1 12 . 1 1 108 108 ALA N N 108 118.700 118.700 120.660 -1.960 19298 6038 1 12 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.451 -0.077 19298 6039 1 12 . 1 1 108 108 ALA C C 108 176.650 176.650 175.570 1.080 19298 6040 1 12 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.734 -0.864 19298 6041 1 12 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.995 0.525 19298 6042 1 12 . 1 1 108 108 ALA H H 108 7.731 7.731 7.440 0.291 19298 6043 1 12 . 1 1 109 109 ASN N N 109 116.530 116.530 119.702 -3.172 19298 6044 1 12 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.725 0.248 19298 6045 1 12 . 1 1 109 109 ASN C C 109 175.940 175.940 174.553 1.387 19298 6046 1 12 . 1 1 109 109 ASN CA C 109 53.130 53.130 52.965 0.165 19298 6047 1 12 . 1 1 109 109 ASN CB C 109 38.670 38.670 39.190 -0.520 19298 6048 1 12 . 1 1 109 109 ASN H H 109 8.936 8.936 8.236 0.700 19298 6049 1 12 . 1 1 110 110 THR N N 110 116.260 116.260 116.385 -0.125 19298 6050 1 12 . 1 1 110 110 THR HA H 110 4.153 4.153 4.373 -0.220 19298 6051 1 12 . 1 1 110 110 THR C C 110 173.240 173.240 173.906 -0.666 19298 6052 1 12 . 1 1 110 110 THR CA C 110 61.990 61.990 60.665 1.325 19298 6053 1 12 . 1 1 110 110 THR CB C 110 69.830 69.830 70.453 -0.622 19298 6054 1 12 . 1 1 110 110 THR H H 110 7.437 7.437 8.394 -0.957 19298 6055 1 12 . 1 1 111 111 LYS N N 111 124.500 124.500 129.963 -5.463 19298 6056 1 12 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.097 0.150 19298 6057 1 12 . 1 1 111 111 LYS C C 111 176.140 176.140 176.481 -0.341 19298 6058 1 12 . 1 1 111 111 LYS CA C 111 55.930 55.930 57.112 -1.182 19298 6059 1 12 . 1 1 111 111 LYS CB C 111 32.700 32.700 32.812 -0.112 19298 6060 1 12 . 1 1 111 111 LYS H H 111 8.248 8.248 8.676 -0.428 19298 6061 1 12 . 1 1 112 112 MET N N 112 122.000 122.000 125.441 -3.441 19298 6062 1 12 . 1 1 112 112 MET HA H 112 4.408 4.408 4.160 0.248 19298 6063 1 12 . 1 1 112 112 MET C C 112 175.550 175.550 176.688 -1.138 19298 6064 1 12 . 1 1 112 112 MET CA C 112 54.780 54.780 57.907 -3.127 19298 6065 1 12 . 1 1 112 112 MET CB C 112 33.280 33.280 32.081 1.199 19298 6066 1 12 . 1 1 112 112 MET H H 112 8.290 8.290 8.645 -0.355 19298 6067 1 12 . 1 1 113 113 ALA N N 113 125.150 125.150 121.909 3.241 19298 6068 1 12 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.367 -0.111 19298 6069 1 12 . 1 1 113 113 ALA C C 113 177.580 177.580 176.025 1.555 19298 6070 1 12 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.269 1.201 19298 6071 1 12 . 1 1 113 113 ALA CB C 113 19.140 19.140 17.736 1.403 19298 6072 1 12 . 1 1 113 113 ALA H H 113 8.213 8.213 7.972 0.241 19298 6073 1 12 . 1 1 114 114 LYS N N 114 120.740 120.740 124.893 -4.153 19298 6074 1 12 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.102 0.154 19298 6075 1 12 . 1 1 114 114 LYS C C 114 176.790 176.790 175.910 0.880 19298 6076 1 12 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.907 -0.567 19298 6077 1 12 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.254 0.616 19298 6078 1 12 . 1 1 114 114 LYS H H 114 8.261 8.261 8.505 -0.244 19298 6079 1 12 . 1 1 115 115 SER N N 115 116.780 116.780 120.550 -3.770 19298 6080 1 12 . 1 1 115 115 SER HA H 115 4.393 4.393 4.460 -0.067 19298 6081 1 12 . 1 1 115 115 SER C C 115 174.710 174.710 173.045 1.665 19298 6082 1 12 . 1 1 115 115 SER CA C 115 58.410 58.410 57.952 0.458 19298 6083 1 12 . 1 1 115 115 SER CB C 115 63.870 63.870 64.038 -0.168 19298 6084 1 12 . 1 1 115 115 SER H H 115 8.268 8.268 8.449 -0.181 19298 6085 1 12 . 1 1 116 116 LYS N N 116 123.210 123.210 121.793 1.417 19298 6086 1 12 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.077 0.214 19298 6087 1 12 . 1 1 116 116 LYS C C 116 176.400 176.400 174.986 1.414 19298 6088 1 12 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.967 -0.637 19298 6089 1 12 . 1 1 116 116 LYS CB C 116 32.710 32.710 31.487 1.223 19298 6090 1 12 . 1 1 116 116 LYS H H 116 8.346 8.346 8.636 -0.290 19298 6091 1 12 . 1 1 117 117 LEU N N 117 122.470 122.470 119.295 3.175 19298 6092 1 12 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.447 -0.171 19298 6093 1 12 . 1 1 117 117 LEU C C 117 177.080 177.080 176.272 0.808 19298 6094 1 12 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.494 -1.444 19298 6095 1 12 . 1 1 117 117 LEU CB C 117 42.210 42.210 43.522 -1.312 19298 6096 1 12 . 1 1 117 117 LEU H H 117 8.093 8.093 8.605 -0.512 19298 6097 1 13 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.117 0.249 19298 6098 1 13 . 1 1 27 27 GLU C C 27 176.230 176.230 174.663 1.567 19298 6099 1 13 . 1 1 27 27 GLU CA C 27 56.240 56.240 57.035 -0.795 19298 6100 1 13 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.132 0.588 19298 6101 1 13 . 1 1 28 28 GLU N N 28 122.500 122.500 117.710 4.790 19298 6102 1 13 . 1 1 28 28 GLU HA H 28 4.262 4.262 3.997 0.265 19298 6103 1 13 . 1 1 28 28 GLU C C 28 175.860 175.860 175.114 0.746 19298 6104 1 13 . 1 1 28 28 GLU CA C 28 56.360 56.360 57.252 -0.892 19298 6105 1 13 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.670 0.840 19298 6106 1 13 . 1 1 28 28 GLU H H 28 8.521 8.521 8.320 0.201 19298 6107 1 13 . 1 1 29 29 GLU N N 29 123.290 123.290 121.514 1.776 19298 6108 1 13 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.057 0.174 19298 6109 1 13 . 1 1 29 29 GLU C C 29 176.740 176.740 175.636 1.104 19298 6110 1 13 . 1 1 29 29 GLU CA C 29 56.360 56.360 57.072 -0.712 19298 6111 1 13 . 1 1 29 29 GLU CB C 29 30.840 30.840 28.676 2.164 19298 6112 1 13 . 1 1 29 29 GLU H H 29 8.521 8.521 8.429 0.092 19298 6113 1 13 . 1 1 30 30 VAL N N 30 125.640 125.640 123.263 2.377 19298 6114 1 13 . 1 1 30 30 VAL HA H 30 3.807 3.807 3.972 -0.165 19298 6115 1 13 . 1 1 30 30 VAL C C 30 175.110 175.110 175.709 -0.599 19298 6116 1 13 . 1 1 30 30 VAL CA C 30 65.080 65.080 61.166 3.914 19298 6117 1 13 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.783 -0.453 19298 6118 1 13 . 1 1 30 30 VAL H H 30 8.715 8.715 7.461 1.254 19298 6119 1 13 . 1 1 31 31 ARG N N 31 124.730 124.730 125.089 -0.359 19298 6120 1 13 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.446 0.228 19298 6121 1 13 . 1 1 31 31 ARG C C 31 172.600 172.600 175.173 -2.573 19298 6122 1 13 . 1 1 31 31 ARG CA C 31 54.580 54.580 56.722 -2.143 19298 6123 1 13 . 1 1 31 31 ARG CB C 31 29.750 29.750 30.691 -0.941 19298 6124 1 13 . 1 1 31 31 ARG H H 31 9.378 9.378 8.368 1.010 19298 6125 1 13 . 1 1 32 32 THR N N 32 115.380 115.380 116.350 -0.970 19298 6126 1 13 . 1 1 32 32 THR HA H 32 5.471 5.471 5.527 -0.056 19298 6127 1 13 . 1 1 32 32 THR C C 32 173.810 173.810 173.586 0.224 19298 6128 1 13 . 1 1 32 32 THR CA C 32 61.250 61.250 61.641 -0.391 19298 6129 1 13 . 1 1 32 32 THR CB C 32 71.360 71.360 71.576 -0.216 19298 6130 1 13 . 1 1 32 32 THR H H 32 7.144 7.144 7.296 -0.152 19298 6131 1 13 . 1 1 33 33 LEU N N 33 124.600 124.600 126.592 -1.992 19298 6132 1 13 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.241 -0.314 19298 6133 1 13 . 1 1 33 33 LEU C C 33 174.960 174.960 175.603 -0.643 19298 6134 1 13 . 1 1 33 33 LEU CA C 33 52.890 52.890 54.206 -1.316 19298 6135 1 13 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.361 0.549 19298 6136 1 13 . 1 1 33 33 LEU H H 33 9.701 9.701 9.387 0.314 19298 6137 1 13 . 1 1 34 34 PHE N N 34 122.600 122.600 121.685 0.915 19298 6138 1 13 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.445 -0.356 19298 6139 1 13 . 1 1 34 34 PHE C C 34 174.530 174.530 174.157 0.373 19298 6140 1 13 . 1 1 34 34 PHE CA C 34 55.740 55.740 54.924 0.816 19298 6141 1 13 . 1 1 34 34 PHE CB C 34 41.410 41.410 40.356 1.054 19298 6142 1 13 . 1 1 34 34 PHE H H 34 9.411 9.411 9.371 0.040 19298 6143 1 13 . 1 1 35 35 VAL N N 35 127.050 127.050 127.173 -0.123 19298 6144 1 13 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.494 0.232 19298 6145 1 13 . 1 1 35 35 VAL C C 35 173.520 173.520 175.410 -1.890 19298 6146 1 13 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.699 -1.049 19298 6147 1 13 . 1 1 35 35 VAL CB C 35 34.170 34.170 32.461 1.709 19298 6148 1 13 . 1 1 35 35 VAL H H 35 8.878 8.878 8.549 0.329 19298 6149 1 13 . 1 1 36 36 SER N N 36 120.260 120.260 121.586 -1.326 19298 6150 1 13 . 1 1 36 36 SER HA H 36 4.876 4.876 4.783 0.093 19298 6151 1 13 . 1 1 36 36 SER C C 36 173.170 173.170 174.593 -1.423 19298 6152 1 13 . 1 1 36 36 SER CA C 36 56.700 56.700 56.417 0.283 19298 6153 1 13 . 1 1 36 36 SER CB C 36 65.440 65.440 66.123 -0.683 19298 6154 1 13 . 1 1 36 36 SER H H 36 8.964 8.964 9.128 -0.164 19298 6155 1 13 . 1 1 37 37 GLY N N 37 108.690 108.690 109.123 -0.433 19298 6156 1 13 . 1 1 37 37 GLY C C 37 174.150 174.150 172.985 1.165 19298 6157 1 13 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.305 0.225 19298 6158 1 13 . 1 1 37 37 GLY H H 37 8.567 8.567 9.102 -0.535 19298 6159 1 13 . 1 1 38 38 LEU N N 38 118.640 118.640 120.376 -1.736 19298 6160 1 13 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.148 -0.247 19298 6161 1 13 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.719 -0.309 19298 6162 1 13 . 1 1 38 38 LEU H H 38 7.426 7.426 7.360 0.066 19298 6163 1 13 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.399 0.151 19298 6164 1 13 . 1 1 39 39 PRO C C 39 177.540 177.540 177.708 -0.168 19298 6165 1 13 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.309 -0.179 19298 6166 1 13 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.480 -0.270 19298 6167 1 13 . 1 1 40 40 VAL N N 40 114.990 114.990 119.823 -4.833 19298 6168 1 13 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.886 -0.202 19298 6169 1 13 . 1 1 40 40 VAL C C 40 175.650 175.650 175.572 0.078 19298 6170 1 13 . 1 1 40 40 VAL CA C 40 64.460 64.460 64.236 0.225 19298 6171 1 13 . 1 1 40 40 VAL CB C 40 31.730 31.730 32.122 -0.392 19298 6172 1 13 . 1 1 40 40 VAL H H 40 8.311 8.311 8.473 -0.162 19298 6173 1 13 . 1 1 41 41 ASP N N 41 117.410 117.410 118.149 -0.739 19298 6174 1 13 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.704 -0.020 19298 6175 1 13 . 1 1 41 41 ASP C C 41 176.140 176.140 175.011 1.129 19298 6176 1 13 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.687 -0.887 19298 6177 1 13 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.492 -0.812 19298 6178 1 13 . 1 1 41 41 ASP H H 41 7.809 7.809 7.919 -0.110 19298 6179 1 13 . 1 1 42 42 ILE N N 42 119.180 119.180 122.080 -2.900 19298 6180 1 13 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.149 -0.065 19298 6181 1 13 . 1 1 42 42 ILE C C 42 173.940 173.940 176.025 -2.085 19298 6182 1 13 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.278 -0.508 19298 6183 1 13 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.284 0.456 19298 6184 1 13 . 1 1 42 42 ILE H H 42 7.098 7.098 7.506 -0.408 19298 6185 1 13 . 1 1 43 43 LYS N N 43 126.520 126.520 131.270 -4.750 19298 6186 1 13 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.852 0.141 19298 6187 1 13 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.838 0.762 19298 6188 1 13 . 1 1 43 43 LYS H H 43 8.963 8.963 9.598 -0.635 19298 6189 1 13 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.290 -0.190 19298 6190 1 13 . 1 1 44 44 PRO C C 44 180.110 180.110 178.072 2.038 19298 6191 1 13 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.424 1.266 19298 6192 1 13 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.916 -0.106 19298 6193 1 13 . 1 1 45 45 ARG N N 45 115.440 115.440 117.363 -1.923 19298 6194 1 13 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.298 -0.055 19298 6195 1 13 . 1 1 45 45 ARG C C 45 176.200 176.200 178.255 -2.055 19298 6196 1 13 . 1 1 45 45 ARG CA C 45 58.550 58.550 59.092 -0.541 19298 6197 1 13 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.334 1.086 19298 6198 1 13 . 1 1 45 45 ARG H H 45 8.922 8.922 8.784 0.138 19298 6199 1 13 . 1 1 46 46 GLU N N 46 119.720 119.720 121.127 -1.407 19298 6200 1 13 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.105 -0.067 19298 6201 1 13 . 1 1 46 46 GLU C C 46 178.820 178.820 179.238 -0.418 19298 6202 1 13 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.314 0.896 19298 6203 1 13 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.433 1.447 19298 6204 1 13 . 1 1 46 46 GLU H H 46 8.340 8.340 7.930 0.410 19298 6205 1 13 . 1 1 47 47 LEU N N 47 115.570 115.570 119.582 -4.012 19298 6206 1 13 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.089 0.284 19298 6207 1 13 . 1 1 47 47 LEU C C 47 178.380 178.380 178.973 -0.593 19298 6208 1 13 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.976 -0.456 19298 6209 1 13 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.834 -0.154 19298 6210 1 13 . 1 1 47 47 LEU H H 47 7.196 7.196 7.700 -0.504 19298 6211 1 13 . 1 1 48 48 TYR N N 48 119.670 119.670 120.069 -0.399 19298 6212 1 13 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.050 0.159 19298 6213 1 13 . 1 1 48 48 TYR C C 48 176.380 176.380 177.581 -1.201 19298 6214 1 13 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.493 -0.863 19298 6215 1 13 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.319 -1.689 19298 6216 1 13 . 1 1 48 48 TYR H H 48 6.816 6.816 7.787 -0.971 19298 6217 1 13 . 1 1 49 49 LEU N N 49 118.190 118.190 118.727 -0.537 19298 6218 1 13 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.595 -0.393 19298 6219 1 13 . 1 1 49 49 LEU C C 49 179.030 179.030 179.540 -0.510 19298 6220 1 13 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.388 0.353 19298 6221 1 13 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.678 1.552 19298 6222 1 13 . 1 1 49 49 LEU H H 49 8.129 8.129 8.448 -0.319 19298 6223 1 13 . 1 1 50 50 LEU N N 50 117.130 117.130 120.885 -3.755 19298 6224 1 13 . 1 1 50 50 LEU HA H 50 3.710 3.710 3.947 -0.237 19298 6225 1 13 . 1 1 50 50 LEU C C 50 176.420 176.420 177.853 -1.433 19298 6226 1 13 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.653 -0.363 19298 6227 1 13 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.020 0.620 19298 6228 1 13 . 1 1 50 50 LEU H H 50 7.543 7.543 8.062 -0.519 19298 6229 1 13 . 1 1 51 51 PHE N N 51 110.420 110.420 114.178 -3.758 19298 6230 1 13 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.455 0.205 19298 6231 1 13 . 1 1 51 51 PHE C C 51 175.110 175.110 176.837 -1.727 19298 6232 1 13 . 1 1 51 51 PHE CA C 51 59.640 59.640 59.587 0.053 19298 6233 1 13 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.248 2.002 19298 6234 1 13 . 1 1 51 51 PHE H H 51 7.439 7.439 7.982 -0.543 19298 6235 1 13 . 1 1 52 52 ARG N N 52 120.680 120.680 119.401 1.279 19298 6236 1 13 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.169 -0.426 19298 6237 1 13 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.050 -0.130 19298 6238 1 13 . 1 1 52 52 ARG H H 52 7.865 7.865 7.275 0.590 19298 6239 1 13 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.316 -0.114 19298 6240 1 13 . 1 1 53 53 PRO C C 53 176.600 176.600 176.613 -0.013 19298 6241 1 13 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.807 0.733 19298 6242 1 13 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.660 -0.700 19298 6243 1 13 . 1 1 54 54 PHE N N 54 117.470 117.470 119.728 -2.258 19298 6244 1 13 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.680 -0.424 19298 6245 1 13 . 1 1 54 54 PHE C C 54 175.500 175.500 175.061 0.439 19298 6246 1 13 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.833 2.367 19298 6247 1 13 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.472 0.208 19298 6248 1 13 . 1 1 54 54 PHE H H 54 7.943 7.943 7.505 0.438 19298 6249 1 13 . 1 1 55 55 LYS N N 55 126.460 126.460 125.773 0.687 19298 6250 1 13 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.227 -0.074 19298 6251 1 13 . 1 1 55 55 LYS C C 55 177.900 177.900 176.804 1.096 19298 6252 1 13 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.537 0.503 19298 6253 1 13 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.840 0.690 19298 6254 1 13 . 1 1 55 55 LYS H H 55 8.571 8.571 8.121 0.450 19298 6255 1 13 . 1 1 56 56 GLY N N 56 112.780 112.780 111.214 1.566 19298 6256 1 13 . 1 1 56 56 GLY C C 56 174.830 174.830 173.326 1.504 19298 6257 1 13 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.740 0.410 19298 6258 1 13 . 1 1 56 56 GLY H H 56 9.045 9.045 8.227 0.818 19298 6259 1 13 . 1 1 57 57 TYR N N 57 121.700 121.700 123.159 -1.459 19298 6260 1 13 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.272 -0.196 19298 6261 1 13 . 1 1 57 57 TYR C C 57 175.260 175.260 175.036 0.224 19298 6262 1 13 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.113 0.537 19298 6263 1 13 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.586 0.604 19298 6264 1 13 . 1 1 57 57 TYR H H 57 7.560 7.560 7.158 0.402 19298 6265 1 13 . 1 1 58 58 GLU N N 58 128.500 128.500 128.030 0.470 19298 6266 1 13 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.201 0.067 19298 6267 1 13 . 1 1 58 58 GLU C C 58 175.700 175.700 175.795 -0.095 19298 6268 1 13 . 1 1 58 58 GLU CA C 58 56.340 56.340 56.981 -0.641 19298 6269 1 13 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.309 0.421 19298 6270 1 13 . 1 1 58 58 GLU H H 58 8.356 8.356 8.725 -0.369 19298 6271 1 13 . 1 1 59 59 GLY N N 59 104.920 104.920 106.687 -1.767 19298 6272 1 13 . 1 1 59 59 GLY C C 59 170.310 170.310 172.166 -1.856 19298 6273 1 13 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.997 0.533 19298 6274 1 13 . 1 1 59 59 GLY H H 59 6.411 6.411 7.270 -0.859 19298 6275 1 13 . 1 1 60 60 SER N N 60 110.020 110.020 115.150 -5.130 19298 6276 1 13 . 1 1 60 60 SER HA H 60 5.468 5.468 5.514 -0.046 19298 6277 1 13 . 1 1 60 60 SER C C 60 172.470 172.470 173.565 -1.095 19298 6278 1 13 . 1 1 60 60 SER CA C 60 57.170 57.170 56.719 0.451 19298 6279 1 13 . 1 1 60 60 SER CB C 60 66.610 66.610 65.960 0.650 19298 6280 1 13 . 1 1 60 60 SER H H 60 8.280 8.280 8.369 -0.089 19298 6281 1 13 . 1 1 61 61 LEU N N 61 118.490 118.490 124.805 -6.315 19298 6282 1 13 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.841 -0.098 19298 6283 1 13 . 1 1 61 61 LEU C C 61 174.600 174.600 175.851 -1.251 19298 6284 1 13 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.036 0.644 19298 6285 1 13 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.953 0.428 19298 6286 1 13 . 1 1 61 61 LEU H H 61 8.953 8.953 9.125 -0.172 19298 6287 1 13 . 1 1 62 62 ILE N N 62 120.760 120.760 120.641 0.119 19298 6288 1 13 . 1 1 62 62 ILE HA H 62 4.917 4.917 5.104 -0.187 19298 6289 1 13 . 1 1 62 62 ILE C C 62 175.600 175.600 175.616 -0.016 19298 6290 1 13 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.007 0.483 19298 6291 1 13 . 1 1 62 62 ILE CB C 62 39.920 39.920 40.011 -0.091 19298 6292 1 13 . 1 1 62 62 ILE H H 62 8.639 8.639 8.337 0.302 19298 6293 1 13 . 1 1 63 63 LYS N N 63 127.240 127.240 127.301 -0.061 19298 6294 1 13 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.701 0.001 19298 6295 1 13 . 1 1 63 63 LYS C C 63 174.700 174.700 174.574 0.126 19298 6296 1 13 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.505 0.045 19298 6297 1 13 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.552 0.938 19298 6298 1 13 . 1 1 63 63 LYS H H 63 9.145 9.145 9.090 0.055 19298 6299 1 13 . 1 1 64 64 LEU N N 64 124.700 124.700 127.503 -2.803 19298 6300 1 13 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.493 0.209 19298 6301 1 13 . 1 1 64 64 LEU C C 64 177.470 177.470 176.244 1.226 19298 6302 1 13 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.761 -1.171 19298 6303 1 13 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.718 0.702 19298 6304 1 13 . 1 1 64 64 LEU H H 64 8.648 8.648 8.709 -0.061 19298 6305 1 13 . 1 1 65 65 THR N N 65 116.860 116.860 122.001 -5.141 19298 6306 1 13 . 1 1 65 65 THR HA H 65 4.521 4.521 4.541 -0.020 19298 6307 1 13 . 1 1 65 65 THR C C 65 174.160 174.160 173.974 0.186 19298 6308 1 13 . 1 1 65 65 THR CA C 65 60.990 60.990 60.444 0.546 19298 6309 1 13 . 1 1 65 65 THR CB C 65 70.630 70.630 70.857 -0.227 19298 6310 1 13 . 1 1 65 65 THR H H 65 8.330 8.330 7.872 0.458 19298 6311 1 13 . 1 1 66 66 ALA N N 66 127.310 127.310 124.702 2.608 19298 6312 1 13 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.170 0.000 19298 6313 1 13 . 1 1 66 66 ALA C C 66 177.060 177.060 178.632 -1.572 19298 6314 1 13 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.244 -0.654 19298 6315 1 13 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.892 -0.832 19298 6316 1 13 . 1 1 66 66 ALA H H 66 8.834 8.834 8.435 0.399 19298 6317 1 13 . 1 1 67 67 ARG N N 67 113.660 113.660 118.169 -4.509 19298 6318 1 13 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.316 -0.252 19298 6319 1 13 . 1 1 67 67 ARG C C 67 175.400 175.400 175.661 -0.261 19298 6320 1 13 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.818 0.492 19298 6321 1 13 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.185 -1.415 19298 6322 1 13 . 1 1 67 67 ARG H H 67 8.335 8.335 8.432 -0.097 19298 6323 1 13 . 1 1 68 68 GLN N N 68 118.790 118.790 115.123 3.667 19298 6324 1 13 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.587 0.228 19298 6325 1 13 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.114 0.166 19298 6326 1 13 . 1 1 68 68 GLN H H 68 7.832 7.832 7.547 0.285 19298 6327 1 13 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.778 0.068 19298 6328 1 13 . 1 1 69 69 PRO C C 69 175.480 175.480 176.860 -1.380 19298 6329 1 13 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.614 0.286 19298 6330 1 13 . 1 1 69 69 PRO CB C 69 32.450 32.450 32.059 0.391 19298 6331 1 13 . 1 1 70 70 VAL N N 70 117.700 117.700 119.823 -2.123 19298 6332 1 13 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.352 0.190 19298 6333 1 13 . 1 1 70 70 VAL C C 70 174.470 174.470 174.958 -0.488 19298 6334 1 13 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.324 -0.284 19298 6335 1 13 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.242 1.678 19298 6336 1 13 . 1 1 70 70 VAL H H 70 8.722 8.722 8.699 0.023 19298 6337 1 13 . 1 1 71 71 GLY N N 71 107.930 107.930 107.975 -0.045 19298 6338 1 13 . 1 1 71 71 GLY C C 71 171.000 171.000 172.189 -1.189 19298 6339 1 13 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.372 0.618 19298 6340 1 13 . 1 1 71 71 GLY H H 71 8.716 8.716 8.399 0.317 19298 6341 1 13 . 1 1 72 72 PHE N N 72 119.400 119.400 119.935 -0.535 19298 6342 1 13 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.481 0.154 19298 6343 1 13 . 1 1 72 72 PHE C C 72 175.350 175.350 174.978 0.372 19298 6344 1 13 . 1 1 72 72 PHE CA C 72 56.830 56.830 56.751 0.079 19298 6345 1 13 . 1 1 72 72 PHE CB C 72 42.110 42.110 41.498 0.612 19298 6346 1 13 . 1 1 72 72 PHE H H 72 8.934 8.934 9.150 -0.216 19298 6347 1 13 . 1 1 73 73 VAL N N 73 122.000 122.000 124.574 -2.574 19298 6348 1 13 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.841 -0.278 19298 6349 1 13 . 1 1 73 73 VAL C C 73 172.930 172.930 175.036 -2.106 19298 6350 1 13 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.392 -0.632 19298 6351 1 13 . 1 1 73 73 VAL CB C 73 34.570 34.570 33.362 1.208 19298 6352 1 13 . 1 1 73 73 VAL H H 73 8.934 8.934 9.384 -0.450 19298 6353 1 13 . 1 1 74 74 ILE N N 74 128.000 128.000 128.704 -0.704 19298 6354 1 13 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.094 -0.227 19298 6355 1 13 . 1 1 74 74 ILE C C 74 173.700 173.700 175.106 -1.406 19298 6356 1 13 . 1 1 74 74 ILE CA C 74 60.880 60.880 60.000 0.880 19298 6357 1 13 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.279 -5.879 19298 6358 1 13 . 1 1 74 74 ILE H H 74 8.702 8.702 9.224 -0.522 19298 6359 1 13 . 1 1 75 75 PHE N N 75 125.200 125.200 126.782 -1.582 19298 6360 1 13 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.245 -0.098 19298 6361 1 13 . 1 1 75 75 PHE C C 75 175.880 175.880 176.286 -0.406 19298 6362 1 13 . 1 1 75 75 PHE CA C 75 56.220 56.220 56.593 -0.372 19298 6363 1 13 . 1 1 75 75 PHE CB C 75 44.680 44.680 42.476 2.204 19298 6364 1 13 . 1 1 75 75 PHE H H 75 8.200 8.200 9.336 -1.136 19298 6365 1 13 . 1 1 76 76 ASP N N 76 119.150 119.150 120.808 -1.658 19298 6366 1 13 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.563 -0.286 19298 6367 1 13 . 1 1 76 76 ASP C C 76 176.020 176.020 175.645 0.375 19298 6368 1 13 . 1 1 76 76 ASP CA C 76 55.580 55.580 55.958 -0.378 19298 6369 1 13 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.774 -1.254 19298 6370 1 13 . 1 1 76 76 ASP H H 76 9.400 9.400 8.712 0.688 19298 6371 1 13 . 1 1 77 77 SER N N 77 111.280 111.280 112.543 -1.263 19298 6372 1 13 . 1 1 77 77 SER HA H 77 4.683 4.683 4.826 -0.143 19298 6373 1 13 . 1 1 77 77 SER C C 77 173.670 173.670 174.688 -1.018 19298 6374 1 13 . 1 1 77 77 SER CA C 77 56.620 56.620 57.112 -0.492 19298 6375 1 13 . 1 1 77 77 SER CB C 77 66.470 66.470 66.076 0.394 19298 6376 1 13 . 1 1 77 77 SER H H 77 7.804 7.804 8.177 -0.373 19298 6377 1 13 . 1 1 78 78 ARG N N 78 125.240 125.240 124.627 0.613 19298 6378 1 13 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.488 -0.458 19298 6379 1 13 . 1 1 78 78 ARG C C 78 177.710 177.710 177.854 -0.144 19298 6380 1 13 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.638 1.232 19298 6381 1 13 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.637 0.163 19298 6382 1 13 . 1 1 78 78 ARG H H 78 9.348 9.348 8.871 0.477 19298 6383 1 13 . 1 1 79 79 ALA N N 79 120.700 120.700 122.968 -2.268 19298 6384 1 13 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.349 -0.149 19298 6385 1 13 . 1 1 79 79 ALA C C 79 181.360 181.360 179.787 1.573 19298 6386 1 13 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.902 0.378 19298 6387 1 13 . 1 1 79 79 ALA CB C 79 18.150 18.150 17.590 0.560 19298 6388 1 13 . 1 1 79 79 ALA H H 79 8.660 8.660 8.635 0.025 19298 6389 1 13 . 1 1 80 80 GLY N N 80 107.500 107.500 106.789 0.711 19298 6390 1 13 . 1 1 80 80 GLY C C 80 175.710 175.710 175.893 -0.183 19298 6391 1 13 . 1 1 80 80 GLY CA C 80 46.790 46.790 46.540 0.250 19298 6392 1 13 . 1 1 80 80 GLY H H 80 8.161 8.161 8.534 -0.373 19298 6393 1 13 . 1 1 81 81 ALA N N 81 124.650 124.650 125.165 -0.515 19298 6394 1 13 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.306 -0.730 19298 6395 1 13 . 1 1 81 81 ALA C C 81 178.570 178.570 179.075 -0.505 19298 6396 1 13 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.958 -0.737 19298 6397 1 13 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.658 -0.478 19298 6398 1 13 . 1 1 81 81 ALA H H 81 7.298 7.298 7.838 -0.540 19298 6399 1 13 . 1 1 82 82 GLU N N 82 118.890 118.890 118.136 0.754 19298 6400 1 13 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.721 0.010 19298 6401 1 13 . 1 1 82 82 GLU C C 82 177.800 177.800 178.780 -0.980 19298 6402 1 13 . 1 1 82 82 GLU CA C 82 59.560 59.560 58.797 0.763 19298 6403 1 13 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.385 0.475 19298 6404 1 13 . 1 1 82 82 GLU H H 82 8.930 8.930 8.447 0.483 19298 6405 1 13 . 1 1 83 83 ALA N N 83 119.410 119.410 122.056 -2.646 19298 6406 1 13 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.163 -0.046 19298 6407 1 13 . 1 1 83 83 ALA C C 83 180.810 180.810 179.561 1.249 19298 6408 1 13 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.647 0.243 19298 6409 1 13 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.185 -0.035 19298 6410 1 13 . 1 1 83 83 ALA H H 83 7.572 7.572 8.032 -0.460 19298 6411 1 13 . 1 1 84 84 ALA N N 84 120.280 120.280 121.198 -0.918 19298 6412 1 13 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.401 -1.261 19298 6413 1 13 . 1 1 84 84 ALA C C 84 178.010 178.010 179.523 -1.513 19298 6414 1 13 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.349 -0.619 19298 6415 1 13 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.566 0.144 19298 6416 1 13 . 1 1 84 84 ALA H H 84 6.950 6.950 8.398 -1.448 19298 6417 1 13 . 1 1 85 85 LYS N N 85 118.040 118.040 117.575 0.465 19298 6418 1 13 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.839 -0.251 19298 6419 1 13 . 1 1 85 85 LYS C C 85 177.700 177.700 178.416 -0.716 19298 6420 1 13 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.207 0.353 19298 6421 1 13 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.816 0.274 19298 6422 1 13 . 1 1 85 85 LYS H H 85 8.042 8.042 8.046 -0.004 19298 6423 1 13 . 1 1 86 86 ASN N N 86 114.630 114.630 118.505 -3.875 19298 6424 1 13 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.394 0.079 19298 6425 1 13 . 1 1 86 86 ASN C C 86 177.320 177.320 176.290 1.030 19298 6426 1 13 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.614 -0.544 19298 6427 1 13 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.204 -0.214 19298 6428 1 13 . 1 1 86 86 ASN H H 86 8.087 8.087 7.697 0.390 19298 6429 1 13 . 1 1 87 87 ALA N N 87 120.200 120.200 120.147 0.053 19298 6430 1 13 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.264 0.043 19298 6431 1 13 . 1 1 87 87 ALA C C 87 179.630 179.630 178.654 0.976 19298 6432 1 13 . 1 1 87 87 ALA CA C 87 54.300 54.300 53.939 0.361 19298 6433 1 13 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.579 0.601 19298 6434 1 13 . 1 1 87 87 ALA H H 87 7.557 7.557 7.387 0.170 19298 6435 1 13 . 1 1 88 88 LEU N N 88 114.210 114.210 117.048 -2.838 19298 6436 1 13 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.388 0.025 19298 6437 1 13 . 1 1 88 88 LEU C C 88 176.580 176.580 176.513 0.067 19298 6438 1 13 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.535 -0.125 19298 6439 1 13 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.334 1.996 19298 6440 1 13 . 1 1 88 88 LEU H H 88 7.561 7.561 7.776 -0.215 19298 6441 1 13 . 1 1 89 89 ASN N N 89 117.970 117.970 117.885 0.085 19298 6442 1 13 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.623 -0.367 19298 6443 1 13 . 1 1 89 89 ASN C C 89 177.700 177.700 176.355 1.345 19298 6444 1 13 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.011 2.979 19298 6445 1 13 . 1 1 89 89 ASN CB C 89 38.570 38.570 37.655 0.915 19298 6446 1 13 . 1 1 89 89 ASN H H 89 7.550 7.550 7.952 -0.402 19298 6447 1 13 . 1 1 90 90 GLY N N 90 112.220 112.220 111.696 0.524 19298 6448 1 13 . 1 1 90 90 GLY C C 90 174.360 174.360 173.625 0.735 19298 6449 1 13 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.921 0.839 19298 6450 1 13 . 1 1 90 90 GLY H H 90 8.734 8.734 8.930 -0.196 19298 6451 1 13 . 1 1 91 91 ILE N N 91 115.840 115.840 121.210 -5.370 19298 6452 1 13 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.263 0.213 19298 6453 1 13 . 1 1 91 91 ILE C C 91 175.940 175.940 174.317 1.623 19298 6454 1 13 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.466 1.054 19298 6455 1 13 . 1 1 91 91 ILE CB C 91 39.020 39.020 40.029 -1.008 19298 6456 1 13 . 1 1 91 91 ILE H H 91 7.518 7.518 7.422 0.096 19298 6457 1 13 . 1 1 92 92 ARG N N 92 120.160 120.160 128.535 -8.375 19298 6458 1 13 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.303 0.174 19298 6459 1 13 . 1 1 92 92 ARG C C 92 175.840 175.840 175.811 0.029 19298 6460 1 13 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.847 -0.187 19298 6461 1 13 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.659 -0.109 19298 6462 1 13 . 1 1 92 92 ARG H H 92 8.461 8.461 8.739 -0.278 19298 6463 1 13 . 1 1 93 93 PHE N N 93 126.780 126.780 127.667 -0.887 19298 6464 1 13 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.336 -0.279 19298 6465 1 13 . 1 1 93 93 PHE C C 93 171.620 171.620 175.201 -3.581 19298 6466 1 13 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.795 1.215 19298 6467 1 13 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.959 0.521 19298 6468 1 13 . 1 1 93 93 PHE H H 93 8.443 8.443 8.713 -0.270 19298 6469 1 13 . 1 1 94 94 ASP N N 94 110.650 110.650 117.301 -6.651 19298 6470 1 13 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.916 -0.047 19298 6471 1 13 . 1 1 94 94 ASP CA C 94 48.530 48.530 52.691 -4.161 19298 6472 1 13 . 1 1 94 94 ASP H H 94 7.860 7.860 7.654 0.206 19298 6473 1 13 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.266 -0.419 19298 6474 1 13 . 1 1 95 95 PRO C C 95 177.650 177.650 176.955 0.695 19298 6475 1 13 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.380 -1.090 19298 6476 1 13 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.478 -0.388 19298 6477 1 13 . 1 1 96 96 GLU N N 96 115.270 115.270 115.869 -0.599 19298 6478 1 13 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.232 -0.007 19298 6479 1 13 . 1 1 96 96 GLU C C 96 175.310 175.310 176.123 -0.813 19298 6480 1 13 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.528 -0.358 19298 6481 1 13 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.896 0.104 19298 6482 1 13 . 1 1 96 96 GLU H H 96 7.944 7.944 8.288 -0.344 19298 6483 1 13 . 1 1 97 97 ASN N N 97 121.610 121.610 117.927 3.683 19298 6484 1 13 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.080 0.122 19298 6485 1 13 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.986 -0.126 19298 6486 1 13 . 1 1 97 97 ASN H H 97 8.190 8.190 7.550 0.640 19298 6487 1 13 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.448 -0.279 19298 6488 1 13 . 1 1 98 98 PRO C C 98 176.940 176.940 175.842 1.098 19298 6489 1 13 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.521 -0.231 19298 6490 1 13 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.816 0.394 19298 6491 1 13 . 1 1 99 99 GLN N N 99 120.230 120.230 119.379 0.851 19298 6492 1 13 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.318 -0.135 19298 6493 1 13 . 1 1 99 99 GLN C C 99 176.660 176.660 175.185 1.475 19298 6494 1 13 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.327 1.753 19298 6495 1 13 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.135 -0.145 19298 6496 1 13 . 1 1 99 99 GLN H H 99 8.174 8.174 7.675 0.499 19298 6497 1 13 . 1 1 100 100 THR N N 100 117.080 117.080 115.533 1.547 19298 6498 1 13 . 1 1 100 100 THR HA H 100 4.784 4.784 4.490 0.294 19298 6499 1 13 . 1 1 100 100 THR C C 100 174.540 174.540 173.393 1.147 19298 6500 1 13 . 1 1 100 100 THR CA C 100 59.870 59.870 59.832 0.038 19298 6501 1 13 . 1 1 100 100 THR CB C 100 71.920 71.920 70.848 1.072 19298 6502 1 13 . 1 1 100 100 THR H H 100 8.241 8.241 8.352 -0.111 19298 6503 1 13 . 1 1 101 101 LEU N N 101 120.720 120.720 126.049 -5.329 19298 6504 1 13 . 1 1 101 101 LEU HA H 101 4.639 4.639 4.877 -0.238 19298 6505 1 13 . 1 1 101 101 LEU C C 101 177.930 177.930 174.726 3.204 19298 6506 1 13 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.341 0.319 19298 6507 1 13 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.483 -0.003 19298 6508 1 13 . 1 1 101 101 LEU H H 101 8.809 8.809 9.168 -0.359 19298 6509 1 13 . 1 1 102 102 ARG N N 102 124.040 124.040 126.802 -2.762 19298 6510 1 13 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.654 0.317 19298 6511 1 13 . 1 1 102 102 ARG C C 102 174.500 174.500 173.275 1.225 19298 6512 1 13 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.896 -0.186 19298 6513 1 13 . 1 1 102 102 ARG CB C 102 32.000 32.000 33.285 -1.285 19298 6514 1 13 . 1 1 102 102 ARG H H 102 8.327 8.327 9.156 -0.829 19298 6515 1 13 . 1 1 103 103 LEU N N 103 125.780 125.780 127.463 -1.683 19298 6516 1 13 . 1 1 103 103 LEU HA H 103 5.370 5.370 5.207 0.163 19298 6517 1 13 . 1 1 103 103 LEU C C 103 174.660 174.660 175.773 -1.113 19298 6518 1 13 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.566 1.094 19298 6519 1 13 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.912 0.868 19298 6520 1 13 . 1 1 103 103 LEU H H 103 8.825 8.825 8.503 0.322 19298 6521 1 13 . 1 1 104 104 GLU N N 104 119.100 119.100 120.630 -1.530 19298 6522 1 13 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.266 0.243 19298 6523 1 13 . 1 1 104 104 GLU C C 104 175.110 175.110 174.792 0.318 19298 6524 1 13 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.538 -0.098 19298 6525 1 13 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.824 0.196 19298 6526 1 13 . 1 1 104 104 GLU H H 104 8.348 8.348 7.846 0.502 19298 6527 1 13 . 1 1 105 105 PHE N N 105 121.070 121.070 119.427 1.643 19298 6528 1 13 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.779 -0.168 19298 6529 1 13 . 1 1 105 105 PHE C C 105 177.060 177.060 176.625 0.435 19298 6530 1 13 . 1 1 105 105 PHE CA C 105 61.190 61.190 57.735 3.455 19298 6531 1 13 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.201 -0.021 19298 6532 1 13 . 1 1 105 105 PHE H H 105 9.227 9.227 8.457 0.770 19298 6533 1 13 . 1 1 106 106 ALA N N 106 124.890 124.890 127.932 -3.042 19298 6534 1 13 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.768 -0.343 19298 6535 1 13 . 1 1 106 106 ALA C C 106 175.860 175.860 177.351 -1.491 19298 6536 1 13 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.196 -0.916 19298 6537 1 13 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.726 -0.976 19298 6538 1 13 . 1 1 106 106 ALA H H 106 9.567 9.567 8.801 0.766 19298 6539 1 13 . 1 1 107 107 LYS N N 107 117.510 117.510 119.922 -2.412 19298 6540 1 13 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.084 0.088 19298 6541 1 13 . 1 1 107 107 LYS C C 107 176.060 176.060 175.461 0.599 19298 6542 1 13 . 1 1 107 107 LYS CA C 107 57.150 57.150 58.105 -0.955 19298 6543 1 13 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.649 -0.149 19298 6544 1 13 . 1 1 107 107 LYS H H 107 8.581 8.581 8.630 -0.049 19298 6545 1 13 . 1 1 108 108 ALA N N 108 118.700 118.700 119.926 -1.226 19298 6546 1 13 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.444 -0.070 19298 6547 1 13 . 1 1 108 108 ALA C C 108 176.650 176.650 175.617 1.033 19298 6548 1 13 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.048 -0.178 19298 6549 1 13 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.357 0.163 19298 6550 1 13 . 1 1 108 108 ALA H H 108 7.731 7.731 7.527 0.204 19298 6551 1 13 . 1 1 109 109 ASN N N 109 116.530 116.530 121.820 -5.290 19298 6552 1 13 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.754 0.219 19298 6553 1 13 . 1 1 109 109 ASN C C 109 175.940 175.940 174.490 1.450 19298 6554 1 13 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.517 -0.388 19298 6555 1 13 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.516 0.154 19298 6556 1 13 . 1 1 109 109 ASN H H 109 8.936 8.936 8.544 0.392 19298 6557 1 13 . 1 1 110 110 THR N N 110 116.260 116.260 118.221 -1.961 19298 6558 1 13 . 1 1 110 110 THR HA H 110 4.153 4.153 4.520 -0.367 19298 6559 1 13 . 1 1 110 110 THR C C 110 173.240 173.240 172.777 0.463 19298 6560 1 13 . 1 1 110 110 THR CA C 110 61.990 61.990 60.042 1.948 19298 6561 1 13 . 1 1 110 110 THR CB C 110 69.830 69.830 71.097 -1.267 19298 6562 1 13 . 1 1 110 110 THR H H 110 7.437 7.437 8.970 -1.533 19298 6563 1 13 . 1 1 111 111 LYS N N 111 124.500 124.500 125.622 -1.122 19298 6564 1 13 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.310 -0.063 19298 6565 1 13 . 1 1 111 111 LYS C C 111 176.140 176.140 176.614 -0.474 19298 6566 1 13 . 1 1 111 111 LYS CA C 111 55.930 55.930 56.529 -0.599 19298 6567 1 13 . 1 1 111 111 LYS CB C 111 32.700 32.700 33.160 -0.459 19298 6568 1 13 . 1 1 111 111 LYS H H 111 8.248 8.248 8.551 -0.303 19298 6569 1 13 . 1 1 112 112 MET N N 112 122.000 122.000 121.966 0.034 19298 6570 1 13 . 1 1 112 112 MET HA H 112 4.408 4.408 4.264 0.144 19298 6571 1 13 . 1 1 112 112 MET C C 112 175.550 175.550 176.095 -0.545 19298 6572 1 13 . 1 1 112 112 MET CA C 112 54.780 54.780 57.377 -2.597 19298 6573 1 13 . 1 1 112 112 MET CB C 112 33.280 33.280 32.325 0.955 19298 6574 1 13 . 1 1 112 112 MET H H 112 8.290 8.290 8.776 -0.486 19298 6575 1 13 . 1 1 113 113 ALA N N 113 125.150 125.150 122.510 2.640 19298 6576 1 13 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.315 -0.059 19298 6577 1 13 . 1 1 113 113 ALA C C 113 177.580 177.580 176.615 0.965 19298 6578 1 13 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.476 0.994 19298 6579 1 13 . 1 1 113 113 ALA CB C 113 19.140 19.140 18.313 0.827 19298 6580 1 13 . 1 1 113 113 ALA H H 113 8.213 8.213 7.857 0.356 19298 6581 1 13 . 1 1 114 114 LYS N N 114 120.740 120.740 125.853 -5.113 19298 6582 1 13 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.188 0.068 19298 6583 1 13 . 1 1 114 114 LYS C C 114 176.790 176.790 175.948 0.842 19298 6584 1 13 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.644 0.696 19298 6585 1 13 . 1 1 114 114 LYS CB C 114 32.870 32.870 31.919 0.951 19298 6586 1 13 . 1 1 114 114 LYS H H 114 8.261 8.261 8.139 0.122 19298 6587 1 13 . 1 1 115 115 SER N N 115 116.780 116.780 122.037 -5.257 19298 6588 1 13 . 1 1 115 115 SER HA H 115 4.393 4.393 4.383 0.010 19298 6589 1 13 . 1 1 115 115 SER C C 115 174.710 174.710 174.228 0.482 19298 6590 1 13 . 1 1 115 115 SER CA C 115 58.410 58.410 58.694 -0.284 19298 6591 1 13 . 1 1 115 115 SER CB C 115 63.870 63.870 63.652 0.218 19298 6592 1 13 . 1 1 115 115 SER H H 115 8.268 8.268 8.293 -0.025 19298 6593 1 13 . 1 1 116 116 LYS N N 116 123.210 123.210 125.220 -2.010 19298 6594 1 13 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.350 -0.059 19298 6595 1 13 . 1 1 116 116 LYS C C 116 176.400 176.400 176.327 0.073 19298 6596 1 13 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.321 0.009 19298 6597 1 13 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.076 -0.366 19298 6598 1 13 . 1 1 116 116 LYS H H 116 8.346 8.346 8.393 -0.047 19298 6599 1 13 . 1 1 117 117 LEU N N 117 122.470 122.470 122.371 0.099 19298 6600 1 13 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.639 -0.363 19298 6601 1 13 . 1 1 117 117 LEU C C 117 177.080 177.080 177.054 0.026 19298 6602 1 13 . 1 1 117 117 LEU CA C 117 55.050 55.050 54.270 0.780 19298 6603 1 13 . 1 1 117 117 LEU CB C 117 42.210 42.210 43.607 -1.397 19298 6604 1 13 . 1 1 117 117 LEU H H 117 8.093 8.093 8.316 -0.223 19298 6605 1 14 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.430 -0.064 19298 6606 1 14 . 1 1 27 27 GLU C C 27 176.230 176.230 177.433 -1.203 19298 6607 1 14 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.474 -0.234 19298 6608 1 14 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.787 -0.067 19298 6609 1 14 . 1 1 28 28 GLU N N 28 122.500 122.500 121.559 0.941 19298 6610 1 14 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.369 -0.107 19298 6611 1 14 . 1 1 28 28 GLU C C 28 175.860 175.860 175.227 0.633 19298 6612 1 14 . 1 1 28 28 GLU CA C 28 56.360 56.360 55.821 0.539 19298 6613 1 14 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.106 1.404 19298 6614 1 14 . 1 1 28 28 GLU H H 28 8.521 8.521 8.433 0.088 19298 6615 1 14 . 1 1 29 29 GLU N N 29 123.290 123.290 122.455 0.835 19298 6616 1 14 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.160 0.071 19298 6617 1 14 . 1 1 29 29 GLU C C 29 176.740 176.740 175.907 0.833 19298 6618 1 14 . 1 1 29 29 GLU CA C 29 56.360 56.360 56.056 0.305 19298 6619 1 14 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.304 0.536 19298 6620 1 14 . 1 1 29 29 GLU H H 29 8.521 8.521 7.986 0.535 19298 6621 1 14 . 1 1 30 30 VAL N N 30 125.640 125.640 123.609 2.031 19298 6622 1 14 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.092 -0.285 19298 6623 1 14 . 1 1 30 30 VAL C C 30 175.110 175.110 175.756 -0.646 19298 6624 1 14 . 1 1 30 30 VAL CA C 30 65.080 65.080 63.228 1.852 19298 6625 1 14 . 1 1 30 30 VAL CB C 30 31.330 31.330 30.362 0.968 19298 6626 1 14 . 1 1 30 30 VAL H H 30 8.715 8.715 8.500 0.215 19298 6627 1 14 . 1 1 31 31 ARG N N 31 124.730 124.730 124.032 0.698 19298 6628 1 14 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.892 -0.218 19298 6629 1 14 . 1 1 31 31 ARG C C 31 172.600 172.600 175.725 -3.125 19298 6630 1 14 . 1 1 31 31 ARG CA C 31 54.580 54.580 55.559 -0.979 19298 6631 1 14 . 1 1 31 31 ARG CB C 31 29.750 29.750 32.138 -2.388 19298 6632 1 14 . 1 1 31 31 ARG H H 31 9.378 9.378 9.355 0.023 19298 6633 1 14 . 1 1 32 32 THR N N 32 115.380 115.380 119.666 -4.286 19298 6634 1 14 . 1 1 32 32 THR HA H 32 5.471 5.471 5.481 -0.010 19298 6635 1 14 . 1 1 32 32 THR C C 32 173.810 173.810 173.597 0.213 19298 6636 1 14 . 1 1 32 32 THR CA C 32 61.250 61.250 63.064 -1.814 19298 6637 1 14 . 1 1 32 32 THR CB C 32 71.360 71.360 70.115 1.245 19298 6638 1 14 . 1 1 32 32 THR H H 32 7.144 7.144 8.310 -1.166 19298 6639 1 14 . 1 1 33 33 LEU N N 33 124.600 124.600 127.743 -3.143 19298 6640 1 14 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.148 -0.221 19298 6641 1 14 . 1 1 33 33 LEU C C 33 174.960 174.960 175.634 -0.674 19298 6642 1 14 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.931 -1.041 19298 6643 1 14 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.195 0.715 19298 6644 1 14 . 1 1 33 33 LEU H H 33 9.701 9.701 9.376 0.325 19298 6645 1 14 . 1 1 34 34 PHE N N 34 122.600 122.600 121.551 1.049 19298 6646 1 14 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.239 -0.150 19298 6647 1 14 . 1 1 34 34 PHE C C 34 174.530 174.530 174.154 0.376 19298 6648 1 14 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.035 0.705 19298 6649 1 14 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.772 1.638 19298 6650 1 14 . 1 1 34 34 PHE H H 34 9.411 9.411 9.295 0.116 19298 6651 1 14 . 1 1 35 35 VAL N N 35 127.050 127.050 128.126 -1.076 19298 6652 1 14 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.421 0.305 19298 6653 1 14 . 1 1 35 35 VAL C C 35 173.520 173.520 175.592 -2.072 19298 6654 1 14 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.959 -1.309 19298 6655 1 14 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.903 2.267 19298 6656 1 14 . 1 1 35 35 VAL H H 35 8.878 8.878 8.710 0.168 19298 6657 1 14 . 1 1 36 36 SER N N 36 120.260 120.260 121.745 -1.485 19298 6658 1 14 . 1 1 36 36 SER HA H 36 4.876 4.876 4.741 0.135 19298 6659 1 14 . 1 1 36 36 SER C C 36 173.170 173.170 174.865 -1.695 19298 6660 1 14 . 1 1 36 36 SER CA C 36 56.700 56.700 56.373 0.327 19298 6661 1 14 . 1 1 36 36 SER CB C 36 65.440 65.440 65.957 -0.517 19298 6662 1 14 . 1 1 36 36 SER H H 36 8.964 8.964 8.904 0.060 19298 6663 1 14 . 1 1 37 37 GLY N N 37 108.690 108.690 108.042 0.648 19298 6664 1 14 . 1 1 37 37 GLY C C 37 174.150 174.150 173.075 1.075 19298 6665 1 14 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.251 0.279 19298 6666 1 14 . 1 1 37 37 GLY H H 37 8.567 8.567 8.368 0.199 19298 6667 1 14 . 1 1 38 38 LEU N N 38 118.640 118.640 120.998 -2.358 19298 6668 1 14 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.091 -0.190 19298 6669 1 14 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.386 0.024 19298 6670 1 14 . 1 1 38 38 LEU H H 38 7.426 7.426 7.733 -0.307 19298 6671 1 14 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.264 0.286 19298 6672 1 14 . 1 1 39 39 PRO C C 39 177.540 177.540 177.876 -0.336 19298 6673 1 14 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.428 -0.298 19298 6674 1 14 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.360 -0.150 19298 6675 1 14 . 1 1 40 40 VAL N N 40 114.990 114.990 119.795 -4.805 19298 6676 1 14 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.772 -0.088 19298 6677 1 14 . 1 1 40 40 VAL C C 40 175.650 175.650 175.768 -0.118 19298 6678 1 14 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.645 0.815 19298 6679 1 14 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.780 -0.050 19298 6680 1 14 . 1 1 40 40 VAL H H 40 8.311 8.311 8.678 -0.367 19298 6681 1 14 . 1 1 41 41 ASP N N 41 117.410 117.410 118.007 -0.597 19298 6682 1 14 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.646 0.038 19298 6683 1 14 . 1 1 41 41 ASP C C 41 176.140 176.140 176.466 -0.326 19298 6684 1 14 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.767 -0.967 19298 6685 1 14 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.780 -1.100 19298 6686 1 14 . 1 1 41 41 ASP H H 41 7.809 7.809 7.834 -0.025 19298 6687 1 14 . 1 1 42 42 ILE N N 42 119.180 119.180 122.610 -3.430 19298 6688 1 14 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.114 -0.030 19298 6689 1 14 . 1 1 42 42 ILE C C 42 173.940 173.940 175.270 -1.330 19298 6690 1 14 . 1 1 42 42 ILE CA C 42 60.770 60.770 62.483 -1.713 19298 6691 1 14 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.544 1.196 19298 6692 1 14 . 1 1 42 42 ILE H H 42 7.098 7.098 7.668 -0.570 19298 6693 1 14 . 1 1 43 43 LYS N N 43 126.520 126.520 131.797 -5.277 19298 6694 1 14 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.993 -0.000 19298 6695 1 14 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.496 1.103 19298 6696 1 14 . 1 1 43 43 LYS H H 43 8.963 8.963 9.461 -0.498 19298 6697 1 14 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.300 -0.200 19298 6698 1 14 . 1 1 44 44 PRO C C 44 180.110 180.110 178.062 2.048 19298 6699 1 14 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.300 1.390 19298 6700 1 14 . 1 1 44 44 PRO CB C 44 31.810 31.810 32.055 -0.245 19298 6701 1 14 . 1 1 45 45 ARG N N 45 115.440 115.440 117.396 -1.956 19298 6702 1 14 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.181 0.062 19298 6703 1 14 . 1 1 45 45 ARG C C 45 176.200 176.200 178.467 -2.267 19298 6704 1 14 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.888 -0.338 19298 6705 1 14 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.842 1.578 19298 6706 1 14 . 1 1 45 45 ARG H H 45 8.922 8.922 8.679 0.243 19298 6707 1 14 . 1 1 46 46 GLU N N 46 119.720 119.720 120.528 -0.808 19298 6708 1 14 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.143 -0.105 19298 6709 1 14 . 1 1 46 46 GLU C C 46 178.820 178.820 178.638 0.182 19298 6710 1 14 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.146 1.064 19298 6711 1 14 . 1 1 46 46 GLU CB C 46 30.880 30.880 28.289 2.591 19298 6712 1 14 . 1 1 46 46 GLU H H 46 8.340 8.340 8.277 0.063 19298 6713 1 14 . 1 1 47 47 LEU N N 47 115.570 115.570 121.226 -5.656 19298 6714 1 14 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.132 0.241 19298 6715 1 14 . 1 1 47 47 LEU C C 47 178.380 178.380 179.198 -0.818 19298 6716 1 14 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.738 -0.218 19298 6717 1 14 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.652 0.028 19298 6718 1 14 . 1 1 47 47 LEU H H 47 7.196 7.196 7.658 -0.462 19298 6719 1 14 . 1 1 48 48 TYR N N 48 119.670 119.670 120.273 -0.603 19298 6720 1 14 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.061 0.148 19298 6721 1 14 . 1 1 48 48 TYR C C 48 176.380 176.380 177.622 -1.242 19298 6722 1 14 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.919 -1.288 19298 6723 1 14 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.469 -1.839 19298 6724 1 14 . 1 1 48 48 TYR H H 48 6.816 6.816 8.307 -1.491 19298 6725 1 14 . 1 1 49 49 LEU N N 49 118.190 118.190 117.738 0.452 19298 6726 1 14 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.770 -0.568 19298 6727 1 14 . 1 1 49 49 LEU C C 49 179.030 179.030 178.703 0.327 19298 6728 1 14 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.381 0.359 19298 6729 1 14 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.932 1.298 19298 6730 1 14 . 1 1 49 49 LEU H H 49 8.129 8.129 8.220 -0.091 19298 6731 1 14 . 1 1 50 50 LEU N N 50 117.130 117.130 119.992 -2.862 19298 6732 1 14 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.013 -0.303 19298 6733 1 14 . 1 1 50 50 LEU C C 50 176.420 176.420 177.855 -1.435 19298 6734 1 14 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.713 -0.423 19298 6735 1 14 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.232 0.408 19298 6736 1 14 . 1 1 50 50 LEU H H 50 7.543 7.543 7.603 -0.060 19298 6737 1 14 . 1 1 51 51 PHE N N 51 110.420 110.420 114.855 -4.435 19298 6738 1 14 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.273 0.387 19298 6739 1 14 . 1 1 51 51 PHE C C 51 175.110 175.110 178.073 -2.963 19298 6740 1 14 . 1 1 51 51 PHE CA C 51 59.640 59.640 60.094 -0.454 19298 6741 1 14 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.327 1.923 19298 6742 1 14 . 1 1 51 51 PHE H H 51 7.439 7.439 8.071 -0.632 19298 6743 1 14 . 1 1 52 52 ARG N N 52 120.680 120.680 120.110 0.570 19298 6744 1 14 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.168 -0.425 19298 6745 1 14 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.380 -0.460 19298 6746 1 14 . 1 1 52 52 ARG H H 52 7.865 7.865 7.380 0.485 19298 6747 1 14 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.311 -0.109 19298 6748 1 14 . 1 1 53 53 PRO C C 53 176.600 176.600 176.710 -0.110 19298 6749 1 14 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.934 0.606 19298 6750 1 14 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.647 -0.687 19298 6751 1 14 . 1 1 54 54 PHE N N 54 117.470 117.470 119.697 -2.227 19298 6752 1 14 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.583 -0.327 19298 6753 1 14 . 1 1 54 54 PHE C C 54 175.500 175.500 175.192 0.308 19298 6754 1 14 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.922 2.278 19298 6755 1 14 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.054 0.626 19298 6756 1 14 . 1 1 54 54 PHE H H 54 7.943 7.943 7.740 0.203 19298 6757 1 14 . 1 1 55 55 LYS N N 55 126.460 126.460 125.505 0.955 19298 6758 1 14 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.247 -0.094 19298 6759 1 14 . 1 1 55 55 LYS C C 55 177.900 177.900 177.048 0.852 19298 6760 1 14 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.890 0.150 19298 6761 1 14 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.584 0.946 19298 6762 1 14 . 1 1 55 55 LYS H H 55 8.571 8.571 8.063 0.508 19298 6763 1 14 . 1 1 56 56 GLY N N 56 112.780 112.780 110.897 1.883 19298 6764 1 14 . 1 1 56 56 GLY C C 56 174.830 174.830 174.133 0.697 19298 6765 1 14 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.897 0.253 19298 6766 1 14 . 1 1 56 56 GLY H H 56 9.045 9.045 8.483 0.562 19298 6767 1 14 . 1 1 57 57 TYR N N 57 121.700 121.700 123.739 -2.039 19298 6768 1 14 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.961 -0.885 19298 6769 1 14 . 1 1 57 57 TYR C C 57 175.260 175.260 175.231 0.029 19298 6770 1 14 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.146 0.504 19298 6771 1 14 . 1 1 57 57 TYR CB C 57 38.190 38.190 38.152 0.038 19298 6772 1 14 . 1 1 57 57 TYR H H 57 7.560 7.560 8.357 -0.797 19298 6773 1 14 . 1 1 58 58 GLU N N 58 128.500 128.500 128.178 0.322 19298 6774 1 14 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.259 0.009 19298 6775 1 14 . 1 1 58 58 GLU C C 58 175.700 175.700 175.754 -0.054 19298 6776 1 14 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.221 -0.881 19298 6777 1 14 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.217 0.513 19298 6778 1 14 . 1 1 58 58 GLU H H 58 8.356 8.356 8.536 -0.180 19298 6779 1 14 . 1 1 59 59 GLY N N 59 104.920 104.920 106.767 -1.847 19298 6780 1 14 . 1 1 59 59 GLY C C 59 170.310 170.310 171.889 -1.579 19298 6781 1 14 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.972 0.558 19298 6782 1 14 . 1 1 59 59 GLY H H 59 6.411 6.411 7.313 -0.902 19298 6783 1 14 . 1 1 60 60 SER N N 60 110.020 110.020 115.176 -5.156 19298 6784 1 14 . 1 1 60 60 SER HA H 60 5.468 5.468 5.140 0.328 19298 6785 1 14 . 1 1 60 60 SER C C 60 172.470 172.470 173.386 -0.916 19298 6786 1 14 . 1 1 60 60 SER CA C 60 57.170 57.170 57.074 0.096 19298 6787 1 14 . 1 1 60 60 SER CB C 60 66.610 66.610 66.316 0.294 19298 6788 1 14 . 1 1 60 60 SER H H 60 8.280 8.280 8.253 0.027 19298 6789 1 14 . 1 1 61 61 LEU N N 61 118.490 118.490 125.903 -7.413 19298 6790 1 14 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.722 0.021 19298 6791 1 14 . 1 1 61 61 LEU C C 61 174.600 174.600 175.262 -0.662 19298 6792 1 14 . 1 1 61 61 LEU CA C 61 54.680 54.680 54.486 0.194 19298 6793 1 14 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.864 0.516 19298 6794 1 14 . 1 1 61 61 LEU H H 61 8.953 8.953 9.038 -0.085 19298 6795 1 14 . 1 1 62 62 ILE N N 62 120.760 120.760 124.190 -3.430 19298 6796 1 14 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.825 0.092 19298 6797 1 14 . 1 1 62 62 ILE C C 62 175.600 175.600 175.797 -0.197 19298 6798 1 14 . 1 1 62 62 ILE CA C 62 59.490 59.490 60.196 -0.706 19298 6799 1 14 . 1 1 62 62 ILE CB C 62 39.920 39.920 39.369 0.551 19298 6800 1 14 . 1 1 62 62 ILE H H 62 8.639 8.639 8.554 0.085 19298 6801 1 14 . 1 1 63 63 LYS N N 63 127.240 127.240 127.744 -0.504 19298 6802 1 14 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.731 -0.029 19298 6803 1 14 . 1 1 63 63 LYS C C 63 174.700 174.700 174.622 0.078 19298 6804 1 14 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.477 0.073 19298 6805 1 14 . 1 1 63 63 LYS CB C 63 35.490 35.490 35.899 -0.409 19298 6806 1 14 . 1 1 63 63 LYS H H 63 9.145 9.145 9.041 0.104 19298 6807 1 14 . 1 1 64 64 LEU N N 64 124.700 124.700 126.082 -1.382 19298 6808 1 14 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.625 0.077 19298 6809 1 14 . 1 1 64 64 LEU C C 64 177.470 177.470 176.692 0.778 19298 6810 1 14 . 1 1 64 64 LEU CA C 64 54.590 54.590 54.822 -0.232 19298 6811 1 14 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.387 1.033 19298 6812 1 14 . 1 1 64 64 LEU H H 64 8.648 8.648 8.650 -0.002 19298 6813 1 14 . 1 1 65 65 THR N N 65 116.860 116.860 120.871 -4.011 19298 6814 1 14 . 1 1 65 65 THR HA H 65 4.521 4.521 4.519 0.002 19298 6815 1 14 . 1 1 65 65 THR C C 65 174.160 174.160 175.148 -0.988 19298 6816 1 14 . 1 1 65 65 THR CA C 65 60.990 60.990 61.155 -0.165 19298 6817 1 14 . 1 1 65 65 THR CB C 65 70.630 70.630 71.405 -0.775 19298 6818 1 14 . 1 1 65 65 THR H H 65 8.330 8.330 7.836 0.494 19298 6819 1 14 . 1 1 66 66 ALA N N 66 127.310 127.310 128.860 -1.550 19298 6820 1 14 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.103 0.067 19298 6821 1 14 . 1 1 66 66 ALA C C 66 177.060 177.060 178.162 -1.102 19298 6822 1 14 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.899 -1.309 19298 6823 1 14 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.679 -0.619 19298 6824 1 14 . 1 1 66 66 ALA H H 66 8.834 8.834 8.645 0.189 19298 6825 1 14 . 1 1 67 67 ARG N N 67 113.660 113.660 115.585 -1.925 19298 6826 1 14 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.406 -0.342 19298 6827 1 14 . 1 1 67 67 ARG C C 67 175.400 175.400 174.815 0.585 19298 6828 1 14 . 1 1 67 67 ARG CA C 67 57.310 57.310 55.877 1.433 19298 6829 1 14 . 1 1 67 67 ARG CB C 67 29.770 29.770 30.943 -1.173 19298 6830 1 14 . 1 1 67 67 ARG H H 67 8.335 8.335 8.272 0.063 19298 6831 1 14 . 1 1 68 68 GLN N N 68 118.790 118.790 117.092 1.698 19298 6832 1 14 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.914 -0.099 19298 6833 1 14 . 1 1 68 68 GLN CA C 68 53.280 53.280 53.309 -0.029 19298 6834 1 14 . 1 1 68 68 GLN H H 68 7.832 7.832 7.626 0.206 19298 6835 1 14 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.777 0.069 19298 6836 1 14 . 1 1 69 69 PRO C C 69 175.480 175.480 176.603 -1.123 19298 6837 1 14 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.647 0.253 19298 6838 1 14 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.650 0.800 19298 6839 1 14 . 1 1 70 70 VAL N N 70 117.700 117.700 122.336 -4.636 19298 6840 1 14 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.244 0.298 19298 6841 1 14 . 1 1 70 70 VAL C C 70 174.470 174.470 175.176 -0.706 19298 6842 1 14 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.710 -0.670 19298 6843 1 14 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.527 2.393 19298 6844 1 14 . 1 1 70 70 VAL H H 70 8.722 8.722 8.572 0.150 19298 6845 1 14 . 1 1 71 71 GLY N N 71 107.930 107.930 109.907 -1.977 19298 6846 1 14 . 1 1 71 71 GLY C C 71 171.000 171.000 172.696 -1.696 19298 6847 1 14 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.840 0.151 19298 6848 1 14 . 1 1 71 71 GLY H H 71 8.716 8.716 8.459 0.257 19298 6849 1 14 . 1 1 72 72 PHE N N 72 119.400 119.400 126.128 -6.728 19298 6850 1 14 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.191 0.444 19298 6851 1 14 . 1 1 72 72 PHE C C 72 175.350 175.350 175.242 0.108 19298 6852 1 14 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.396 -0.566 19298 6853 1 14 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.395 2.715 19298 6854 1 14 . 1 1 72 72 PHE H H 72 8.934 8.934 9.245 -0.311 19298 6855 1 14 . 1 1 73 73 VAL N N 73 122.000 122.000 125.371 -3.371 19298 6856 1 14 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.495 0.068 19298 6857 1 14 . 1 1 73 73 VAL C C 73 172.930 172.930 174.747 -1.817 19298 6858 1 14 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.279 -0.519 19298 6859 1 14 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.258 2.312 19298 6860 1 14 . 1 1 73 73 VAL H H 73 8.934 8.934 9.208 -0.274 19298 6861 1 14 . 1 1 74 74 ILE N N 74 128.000 128.000 127.833 0.167 19298 6862 1 14 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.818 0.049 19298 6863 1 14 . 1 1 74 74 ILE C C 74 173.700 173.700 173.917 -0.217 19298 6864 1 14 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.483 1.397 19298 6865 1 14 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.472 -6.072 19298 6866 1 14 . 1 1 74 74 ILE H H 74 8.702 8.702 8.489 0.213 19298 6867 1 14 . 1 1 75 75 PHE N N 75 125.200 125.200 127.531 -2.331 19298 6868 1 14 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.213 -0.066 19298 6869 1 14 . 1 1 75 75 PHE C C 75 175.880 175.880 175.969 -0.089 19298 6870 1 14 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.213 -0.993 19298 6871 1 14 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.836 2.844 19298 6872 1 14 . 1 1 75 75 PHE H H 75 8.200 8.200 9.084 -0.884 19298 6873 1 14 . 1 1 76 76 ASP N N 76 119.150 119.150 120.275 -1.125 19298 6874 1 14 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.415 -0.138 19298 6875 1 14 . 1 1 76 76 ASP C C 76 176.020 176.020 175.498 0.522 19298 6876 1 14 . 1 1 76 76 ASP CA C 76 55.580 55.580 57.247 -1.667 19298 6877 1 14 . 1 1 76 76 ASP CB C 76 40.520 40.520 42.010 -1.490 19298 6878 1 14 . 1 1 76 76 ASP H H 76 9.400 9.400 9.143 0.257 19298 6879 1 14 . 1 1 77 77 SER N N 77 111.280 111.280 108.747 2.533 19298 6880 1 14 . 1 1 77 77 SER HA H 77 4.683 4.683 4.791 -0.108 19298 6881 1 14 . 1 1 77 77 SER C C 77 173.670 173.670 174.709 -1.039 19298 6882 1 14 . 1 1 77 77 SER CA C 77 56.620 56.620 57.095 -0.475 19298 6883 1 14 . 1 1 77 77 SER CB C 77 66.470 66.470 67.135 -0.665 19298 6884 1 14 . 1 1 77 77 SER H H 77 7.804 7.804 7.703 0.101 19298 6885 1 14 . 1 1 78 78 ARG N N 78 125.240 125.240 121.560 3.680 19298 6886 1 14 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.633 -0.603 19298 6887 1 14 . 1 1 78 78 ARG C C 78 177.710 177.710 177.943 -0.233 19298 6888 1 14 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.865 1.005 19298 6889 1 14 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.503 0.297 19298 6890 1 14 . 1 1 78 78 ARG H H 78 9.348 9.348 9.002 0.346 19298 6891 1 14 . 1 1 79 79 ALA N N 79 120.700 120.700 122.014 -1.314 19298 6892 1 14 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.292 -0.092 19298 6893 1 14 . 1 1 79 79 ALA C C 79 181.360 181.360 179.545 1.815 19298 6894 1 14 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.767 0.513 19298 6895 1 14 . 1 1 79 79 ALA CB C 79 18.150 18.150 17.995 0.155 19298 6896 1 14 . 1 1 79 79 ALA H H 79 8.660 8.660 8.360 0.300 19298 6897 1 14 . 1 1 80 80 GLY N N 80 107.500 107.500 106.216 1.284 19298 6898 1 14 . 1 1 80 80 GLY C C 80 175.710 175.710 175.584 0.126 19298 6899 1 14 . 1 1 80 80 GLY CA C 80 46.790 46.790 46.078 0.712 19298 6900 1 14 . 1 1 80 80 GLY H H 80 8.161 8.161 8.202 -0.041 19298 6901 1 14 . 1 1 81 81 ALA N N 81 124.650 124.650 125.082 -0.432 19298 6902 1 14 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.197 -0.621 19298 6903 1 14 . 1 1 81 81 ALA C C 81 178.570 178.570 178.972 -0.402 19298 6904 1 14 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.789 -0.569 19298 6905 1 14 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.651 -0.471 19298 6906 1 14 . 1 1 81 81 ALA H H 81 7.298 7.298 8.046 -0.748 19298 6907 1 14 . 1 1 82 82 GLU N N 82 118.890 118.890 118.085 0.805 19298 6908 1 14 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.750 -0.019 19298 6909 1 14 . 1 1 82 82 GLU C C 82 177.800 177.800 178.464 -0.664 19298 6910 1 14 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.116 0.444 19298 6911 1 14 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.299 0.561 19298 6912 1 14 . 1 1 82 82 GLU H H 82 8.930 8.930 8.498 0.432 19298 6913 1 14 . 1 1 83 83 ALA N N 83 119.410 119.410 121.844 -2.434 19298 6914 1 14 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.098 0.019 19298 6915 1 14 . 1 1 83 83 ALA C C 83 180.810 180.810 179.578 1.232 19298 6916 1 14 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.672 0.218 19298 6917 1 14 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.046 0.104 19298 6918 1 14 . 1 1 83 83 ALA H H 83 7.572 7.572 7.567 0.005 19298 6919 1 14 . 1 1 84 84 ALA N N 84 120.280 120.280 121.050 -0.770 19298 6920 1 14 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.275 -1.135 19298 6921 1 14 . 1 1 84 84 ALA C C 84 178.010 178.010 179.295 -1.285 19298 6922 1 14 . 1 1 84 84 ALA CA C 84 54.730 54.730 54.934 -0.203 19298 6923 1 14 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.103 0.607 19298 6924 1 14 . 1 1 84 84 ALA H H 84 6.950 6.950 7.714 -0.764 19298 6925 1 14 . 1 1 85 85 LYS N N 85 118.040 118.040 119.011 -0.971 19298 6926 1 14 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.806 -0.218 19298 6927 1 14 . 1 1 85 85 LYS C C 85 177.700 177.700 178.571 -0.871 19298 6928 1 14 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.761 -0.201 19298 6929 1 14 . 1 1 85 85 LYS CB C 85 32.090 32.090 32.169 -0.079 19298 6930 1 14 . 1 1 85 85 LYS H H 85 8.042 8.042 8.184 -0.142 19298 6931 1 14 . 1 1 86 86 ASN N N 86 114.630 114.630 116.674 -2.044 19298 6932 1 14 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.708 -0.235 19298 6933 1 14 . 1 1 86 86 ASN C C 86 177.320 177.320 176.273 1.047 19298 6934 1 14 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.308 -0.238 19298 6935 1 14 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.190 -0.200 19298 6936 1 14 . 1 1 86 86 ASN H H 86 8.087 8.087 8.143 -0.056 19298 6937 1 14 . 1 1 87 87 ALA N N 87 120.200 120.200 120.694 -0.494 19298 6938 1 14 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.301 0.006 19298 6939 1 14 . 1 1 87 87 ALA C C 87 179.630 179.630 178.560 1.070 19298 6940 1 14 . 1 1 87 87 ALA CA C 87 54.300 54.300 53.965 0.335 19298 6941 1 14 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.521 0.659 19298 6942 1 14 . 1 1 87 87 ALA H H 87 7.557 7.557 7.464 0.093 19298 6943 1 14 . 1 1 88 88 LEU N N 88 114.210 114.210 116.645 -2.435 19298 6944 1 14 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.497 -0.084 19298 6945 1 14 . 1 1 88 88 LEU C C 88 176.580 176.580 176.801 -0.221 19298 6946 1 14 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.645 -0.235 19298 6947 1 14 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.874 1.456 19298 6948 1 14 . 1 1 88 88 LEU H H 88 7.561 7.561 7.788 -0.227 19298 6949 1 14 . 1 1 89 89 ASN N N 89 117.970 117.970 118.218 -0.248 19298 6950 1 14 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.570 -0.314 19298 6951 1 14 . 1 1 89 89 ASN C C 89 177.700 177.700 176.600 1.100 19298 6952 1 14 . 1 1 89 89 ASN CA C 89 55.990 55.990 54.343 1.647 19298 6953 1 14 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.232 0.338 19298 6954 1 14 . 1 1 89 89 ASN H H 89 7.550 7.550 8.124 -0.574 19298 6955 1 14 . 1 1 90 90 GLY N N 90 112.220 112.220 112.118 0.102 19298 6956 1 14 . 1 1 90 90 GLY C C 90 174.360 174.360 173.425 0.935 19298 6957 1 14 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.737 1.023 19298 6958 1 14 . 1 1 90 90 GLY H H 90 8.734 8.734 9.103 -0.369 19298 6959 1 14 . 1 1 91 91 ILE N N 91 115.840 115.840 121.839 -5.999 19298 6960 1 14 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.261 0.215 19298 6961 1 14 . 1 1 91 91 ILE C C 91 175.940 175.940 174.560 1.380 19298 6962 1 14 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.828 0.692 19298 6963 1 14 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.638 -0.618 19298 6964 1 14 . 1 1 91 91 ILE H H 91 7.518 7.518 7.772 -0.254 19298 6965 1 14 . 1 1 92 92 ARG N N 92 120.160 120.160 127.182 -7.022 19298 6966 1 14 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.268 0.209 19298 6967 1 14 . 1 1 92 92 ARG C C 92 175.840 175.840 176.248 -0.408 19298 6968 1 14 . 1 1 92 92 ARG CA C 92 56.660 56.660 57.060 -0.400 19298 6969 1 14 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.648 -0.098 19298 6970 1 14 . 1 1 92 92 ARG H H 92 8.461 8.461 8.766 -0.305 19298 6971 1 14 . 1 1 93 93 PHE N N 93 126.780 126.780 125.191 1.589 19298 6972 1 14 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.299 -0.242 19298 6973 1 14 . 1 1 93 93 PHE C C 93 171.620 171.620 175.124 -3.504 19298 6974 1 14 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.979 1.031 19298 6975 1 14 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.889 0.591 19298 6976 1 14 . 1 1 93 93 PHE H H 93 8.443 8.443 8.604 -0.161 19298 6977 1 14 . 1 1 94 94 ASP N N 94 110.650 110.650 116.565 -5.915 19298 6978 1 14 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.949 -0.080 19298 6979 1 14 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.910 -3.380 19298 6980 1 14 . 1 1 94 94 ASP H H 94 7.860 7.860 7.827 0.033 19298 6981 1 14 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.215 -0.368 19298 6982 1 14 . 1 1 95 95 PRO C C 95 177.650 177.650 177.860 -0.210 19298 6983 1 14 . 1 1 95 95 PRO CA C 95 63.290 63.290 65.078 -1.788 19298 6984 1 14 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.379 -0.289 19298 6985 1 14 . 1 1 96 96 GLU N N 96 115.270 115.270 116.690 -1.420 19298 6986 1 14 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.309 -0.084 19298 6987 1 14 . 1 1 96 96 GLU C C 96 175.310 175.310 175.920 -0.610 19298 6988 1 14 . 1 1 96 96 GLU CA C 96 56.170 56.170 55.793 0.377 19298 6989 1 14 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.946 0.054 19298 6990 1 14 . 1 1 96 96 GLU H H 96 7.944 7.944 8.505 -0.561 19298 6991 1 14 . 1 1 97 97 ASN N N 97 121.610 121.610 118.910 2.700 19298 6992 1 14 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.000 0.202 19298 6993 1 14 . 1 1 97 97 ASN CA C 97 49.860 49.860 49.552 0.308 19298 6994 1 14 . 1 1 97 97 ASN H H 97 8.190 8.190 7.603 0.587 19298 6995 1 14 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.326 -0.157 19298 6996 1 14 . 1 1 98 98 PRO C C 98 176.940 176.940 176.446 0.494 19298 6997 1 14 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.970 -0.680 19298 6998 1 14 . 1 1 98 98 PRO CB C 98 32.210 32.210 32.087 0.123 19298 6999 1 14 . 1 1 99 99 GLN N N 99 120.230 120.230 121.044 -0.814 19298 7000 1 14 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.202 -0.019 19298 7001 1 14 . 1 1 99 99 GLN C C 99 176.660 176.660 175.079 1.581 19298 7002 1 14 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.704 1.376 19298 7003 1 14 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.526 0.464 19298 7004 1 14 . 1 1 99 99 GLN H H 99 8.174 8.174 7.833 0.341 19298 7005 1 14 . 1 1 100 100 THR N N 100 117.080 117.080 115.745 1.335 19298 7006 1 14 . 1 1 100 100 THR HA H 100 4.784 4.784 4.492 0.292 19298 7007 1 14 . 1 1 100 100 THR C C 100 174.540 174.540 173.851 0.689 19298 7008 1 14 . 1 1 100 100 THR CA C 100 59.870 59.870 59.597 0.273 19298 7009 1 14 . 1 1 100 100 THR CB C 100 71.920 71.920 70.921 0.998 19298 7010 1 14 . 1 1 100 100 THR H H 100 8.241 8.241 8.085 0.156 19298 7011 1 14 . 1 1 101 101 LEU N N 101 120.720 120.720 124.982 -4.262 19298 7012 1 14 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.071 -0.432 19298 7013 1 14 . 1 1 101 101 LEU C C 101 177.930 177.930 175.914 2.016 19298 7014 1 14 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.740 -0.080 19298 7015 1 14 . 1 1 101 101 LEU CB C 101 44.480 44.480 41.767 2.713 19298 7016 1 14 . 1 1 101 101 LEU H H 101 8.809 8.809 9.190 -0.381 19298 7017 1 14 . 1 1 102 102 ARG N N 102 124.040 124.040 124.381 -0.341 19298 7018 1 14 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.588 0.383 19298 7019 1 14 . 1 1 102 102 ARG C C 102 174.500 174.500 174.363 0.137 19298 7020 1 14 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.401 0.309 19298 7021 1 14 . 1 1 102 102 ARG CB C 102 32.000 32.000 31.182 0.818 19298 7022 1 14 . 1 1 102 102 ARG H H 102 8.327 8.327 8.719 -0.392 19298 7023 1 14 . 1 1 103 103 LEU N N 103 125.780 125.780 125.769 0.011 19298 7024 1 14 . 1 1 103 103 LEU HA H 103 5.370 5.370 5.077 0.293 19298 7025 1 14 . 1 1 103 103 LEU C C 103 174.660 174.660 176.448 -1.788 19298 7026 1 14 . 1 1 103 103 LEU CA C 103 54.660 54.660 53.765 0.895 19298 7027 1 14 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.747 1.033 19298 7028 1 14 . 1 1 103 103 LEU H H 103 8.825 8.825 8.587 0.238 19298 7029 1 14 . 1 1 104 104 GLU N N 104 119.100 119.100 120.648 -1.548 19298 7030 1 14 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.347 0.162 19298 7031 1 14 . 1 1 104 104 GLU C C 104 175.110 175.110 174.459 0.651 19298 7032 1 14 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.538 -0.098 19298 7033 1 14 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.563 0.457 19298 7034 1 14 . 1 1 104 104 GLU H H 104 8.348 8.348 8.014 0.334 19298 7035 1 14 . 1 1 105 105 PHE N N 105 121.070 121.070 120.491 0.579 19298 7036 1 14 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.732 -0.121 19298 7037 1 14 . 1 1 105 105 PHE C C 105 177.060 177.060 176.425 0.635 19298 7038 1 14 . 1 1 105 105 PHE CA C 105 61.190 61.190 59.577 1.613 19298 7039 1 14 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.702 -0.522 19298 7040 1 14 . 1 1 105 105 PHE H H 105 9.227 9.227 8.621 0.606 19298 7041 1 14 . 1 1 106 106 ALA N N 106 124.890 124.890 128.173 -3.283 19298 7042 1 14 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.810 -0.385 19298 7043 1 14 . 1 1 106 106 ALA C C 106 175.860 175.860 177.309 -1.449 19298 7044 1 14 . 1 1 106 106 ALA CA C 106 51.280 51.280 51.945 -0.665 19298 7045 1 14 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.276 -0.527 19298 7046 1 14 . 1 1 106 106 ALA H H 106 9.567 9.567 8.934 0.633 19298 7047 1 14 . 1 1 107 107 LYS N N 107 117.510 117.510 121.987 -4.477 19298 7048 1 14 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.297 -0.125 19298 7049 1 14 . 1 1 107 107 LYS C C 107 176.060 176.060 175.479 0.581 19298 7050 1 14 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.141 0.009 19298 7051 1 14 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.562 -0.062 19298 7052 1 14 . 1 1 107 107 LYS H H 107 8.581 8.581 8.811 -0.230 19298 7053 1 14 . 1 1 108 108 ALA N N 108 118.700 118.700 121.387 -2.687 19298 7054 1 14 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.405 -0.031 19298 7055 1 14 . 1 1 108 108 ALA C C 108 176.650 176.650 175.527 1.123 19298 7056 1 14 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.560 -0.690 19298 7057 1 14 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.436 1.084 19298 7058 1 14 . 1 1 108 108 ALA H H 108 7.731 7.731 7.572 0.159 19298 7059 1 14 . 1 1 109 109 ASN N N 109 116.530 116.530 118.780 -2.250 19298 7060 1 14 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.738 0.235 19298 7061 1 14 . 1 1 109 109 ASN C C 109 175.940 175.940 175.001 0.939 19298 7062 1 14 . 1 1 109 109 ASN CA C 109 53.130 53.130 52.732 0.398 19298 7063 1 14 . 1 1 109 109 ASN CB C 109 38.670 38.670 39.176 -0.506 19298 7064 1 14 . 1 1 109 109 ASN H H 109 8.936 8.936 8.423 0.513 19298 7065 1 14 . 1 1 110 110 THR N N 110 116.260 116.260 115.590 0.670 19298 7066 1 14 . 1 1 110 110 THR HA H 110 4.153 4.153 4.483 -0.330 19298 7067 1 14 . 1 1 110 110 THR C C 110 173.240 173.240 172.989 0.251 19298 7068 1 14 . 1 1 110 110 THR CA C 110 61.990 61.990 60.811 1.179 19298 7069 1 14 . 1 1 110 110 THR CB C 110 69.830 69.830 69.979 -0.149 19298 7070 1 14 . 1 1 110 110 THR H H 110 7.437 7.437 8.722 -1.285 19298 7071 1 14 . 1 1 111 111 LYS N N 111 124.500 124.500 125.934 -1.434 19298 7072 1 14 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.508 -0.261 19298 7073 1 14 . 1 1 111 111 LYS C C 111 176.140 176.140 176.510 -0.370 19298 7074 1 14 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.142 0.788 19298 7075 1 14 . 1 1 111 111 LYS CB C 111 32.700 32.700 34.398 -1.698 19298 7076 1 14 . 1 1 111 111 LYS H H 111 8.248 8.248 8.302 -0.054 19298 7077 1 14 . 1 1 112 112 MET N N 112 122.000 122.000 121.371 0.629 19298 7078 1 14 . 1 1 112 112 MET HA H 112 4.408 4.408 4.409 -0.001 19298 7079 1 14 . 1 1 112 112 MET C C 112 175.550 175.550 176.015 -0.465 19298 7080 1 14 . 1 1 112 112 MET CA C 112 54.780 54.780 55.652 -0.872 19298 7081 1 14 . 1 1 112 112 MET CB C 112 33.280 33.280 32.685 0.595 19298 7082 1 14 . 1 1 112 112 MET H H 112 8.290 8.290 8.595 -0.305 19298 7083 1 14 . 1 1 113 113 ALA N N 113 125.150 125.150 122.148 3.002 19298 7084 1 14 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.456 -0.200 19298 7085 1 14 . 1 1 113 113 ALA C C 113 177.580 177.580 176.235 1.345 19298 7086 1 14 . 1 1 113 113 ALA CA C 113 52.470 52.470 50.791 1.679 19298 7087 1 14 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.565 -0.425 19298 7088 1 14 . 1 1 113 113 ALA H H 113 8.213 8.213 7.573 0.640 19298 7089 1 14 . 1 1 114 114 LYS N N 114 120.740 120.740 125.420 -4.680 19298 7090 1 14 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.165 0.091 19298 7091 1 14 . 1 1 114 114 LYS C C 114 176.790 176.790 175.892 0.898 19298 7092 1 14 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.663 -0.323 19298 7093 1 14 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.620 0.250 19298 7094 1 14 . 1 1 114 114 LYS H H 114 8.261 8.261 8.675 -0.414 19298 7095 1 14 . 1 1 115 115 SER N N 115 116.780 116.780 122.629 -5.849 19298 7096 1 14 . 1 1 115 115 SER HA H 115 4.393 4.393 4.401 -0.008 19298 7097 1 14 . 1 1 115 115 SER C C 115 174.710 174.710 174.326 0.384 19298 7098 1 14 . 1 1 115 115 SER CA C 115 58.410 58.410 58.360 0.050 19298 7099 1 14 . 1 1 115 115 SER CB C 115 63.870 63.870 63.028 0.842 19298 7100 1 14 . 1 1 115 115 SER H H 115 8.268 8.268 8.572 -0.304 19298 7101 1 14 . 1 1 116 116 LYS N N 116 123.210 123.210 126.172 -2.962 19298 7102 1 14 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.296 -0.005 19298 7103 1 14 . 1 1 116 116 LYS C C 116 176.400 176.400 176.899 -0.499 19298 7104 1 14 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.544 -0.214 19298 7105 1 14 . 1 1 116 116 LYS CB C 116 32.710 32.710 33.166 -0.457 19298 7106 1 14 . 1 1 116 116 LYS H H 116 8.346 8.346 8.492 -0.146 19298 7107 1 14 . 1 1 117 117 LEU N N 117 122.470 122.470 122.677 -0.207 19298 7108 1 14 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.334 -0.058 19298 7109 1 14 . 1 1 117 117 LEU C C 117 177.080 177.080 177.269 -0.189 19298 7110 1 14 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.335 -1.285 19298 7111 1 14 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.250 -0.040 19298 7112 1 14 . 1 1 117 117 LEU H H 117 8.093 8.093 8.733 -0.640 19298 7113 1 15 . 1 1 27 27 GLU HA H 27 4.366 4.366 4.143 0.223 19298 7114 1 15 . 1 1 27 27 GLU C C 27 176.230 176.230 177.788 -1.558 19298 7115 1 15 . 1 1 27 27 GLU CA C 27 56.240 56.240 58.445 -2.205 19298 7116 1 15 . 1 1 27 27 GLU CB C 27 30.720 30.720 29.507 1.213 19298 7117 1 15 . 1 1 28 28 GLU N N 28 122.500 122.500 118.775 3.725 19298 7118 1 15 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.364 -0.102 19298 7119 1 15 . 1 1 28 28 GLU C C 28 175.860 175.860 175.688 0.172 19298 7120 1 15 . 1 1 28 28 GLU CA C 28 56.360 56.360 55.848 0.512 19298 7121 1 15 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.030 1.480 19298 7122 1 15 . 1 1 28 28 GLU H H 28 8.521 8.521 8.448 0.073 19298 7123 1 15 . 1 1 29 29 GLU N N 29 123.290 123.290 119.981 3.309 19298 7124 1 15 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.393 -0.162 19298 7125 1 15 . 1 1 29 29 GLU C C 29 176.740 176.740 175.201 1.539 19298 7126 1 15 . 1 1 29 29 GLU CA C 29 56.360 56.360 54.609 1.751 19298 7127 1 15 . 1 1 29 29 GLU CB C 29 30.840 30.840 31.650 -0.810 19298 7128 1 15 . 1 1 29 29 GLU H H 29 8.521 8.521 7.711 0.810 19298 7129 1 15 . 1 1 30 30 VAL N N 30 125.640 125.640 122.513 3.127 19298 7130 1 15 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.434 -0.627 19298 7131 1 15 . 1 1 30 30 VAL C C 30 175.110 175.110 176.808 -1.698 19298 7132 1 15 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.330 2.750 19298 7133 1 15 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.858 -0.528 19298 7134 1 15 . 1 1 30 30 VAL H H 30 8.715 8.715 8.353 0.362 19298 7135 1 15 . 1 1 31 31 ARG N N 31 124.730 124.730 125.578 -0.848 19298 7136 1 15 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.483 0.191 19298 7137 1 15 . 1 1 31 31 ARG C C 31 172.600 172.600 175.334 -2.734 19298 7138 1 15 . 1 1 31 31 ARG CA C 31 54.580 54.580 57.021 -2.441 19298 7139 1 15 . 1 1 31 31 ARG CB C 31 29.750 29.750 30.850 -1.100 19298 7140 1 15 . 1 1 31 31 ARG H H 31 9.378 9.378 8.889 0.489 19298 7141 1 15 . 1 1 32 32 THR N N 32 115.380 115.380 115.221 0.159 19298 7142 1 15 . 1 1 32 32 THR HA H 32 5.471 5.471 5.441 0.030 19298 7143 1 15 . 1 1 32 32 THR C C 32 173.810 173.810 173.179 0.631 19298 7144 1 15 . 1 1 32 32 THR CA C 32 61.250 61.250 61.862 -0.612 19298 7145 1 15 . 1 1 32 32 THR CB C 32 71.360 71.360 71.835 -0.476 19298 7146 1 15 . 1 1 32 32 THR H H 32 7.144 7.144 7.552 -0.408 19298 7147 1 15 . 1 1 33 33 LEU N N 33 124.600 124.600 126.588 -1.988 19298 7148 1 15 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.245 -0.318 19298 7149 1 15 . 1 1 33 33 LEU C C 33 174.960 174.960 175.714 -0.754 19298 7150 1 15 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.653 -0.763 19298 7151 1 15 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.329 0.581 19298 7152 1 15 . 1 1 33 33 LEU H H 33 9.701 9.701 9.482 0.219 19298 7153 1 15 . 1 1 34 34 PHE N N 34 122.600 122.600 121.575 1.025 19298 7154 1 15 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.019 0.070 19298 7155 1 15 . 1 1 34 34 PHE C C 34 174.530 174.530 174.191 0.339 19298 7156 1 15 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.263 0.478 19298 7157 1 15 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.271 2.139 19298 7158 1 15 . 1 1 34 34 PHE H H 34 9.411 9.411 9.227 0.184 19298 7159 1 15 . 1 1 35 35 VAL N N 35 127.050 127.050 127.890 -0.840 19298 7160 1 15 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.600 0.126 19298 7161 1 15 . 1 1 35 35 VAL C C 35 173.520 173.520 175.640 -2.120 19298 7162 1 15 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.419 -0.769 19298 7163 1 15 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.773 2.397 19298 7164 1 15 . 1 1 35 35 VAL H H 35 8.878 8.878 8.638 0.240 19298 7165 1 15 . 1 1 36 36 SER N N 36 120.260 120.260 120.927 -0.667 19298 7166 1 15 . 1 1 36 36 SER HA H 36 4.876 4.876 4.705 0.171 19298 7167 1 15 . 1 1 36 36 SER C C 36 173.170 173.170 174.499 -1.329 19298 7168 1 15 . 1 1 36 36 SER CA C 36 56.700 56.700 56.495 0.205 19298 7169 1 15 . 1 1 36 36 SER CB C 36 65.440 65.440 65.800 -0.360 19298 7170 1 15 . 1 1 36 36 SER H H 36 8.964 8.964 8.953 0.011 19298 7171 1 15 . 1 1 37 37 GLY N N 37 108.690 108.690 108.496 0.194 19298 7172 1 15 . 1 1 37 37 GLY C C 37 174.150 174.150 173.083 1.067 19298 7173 1 15 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.073 0.457 19298 7174 1 15 . 1 1 37 37 GLY H H 37 8.567 8.567 9.225 -0.658 19298 7175 1 15 . 1 1 38 38 LEU N N 38 118.640 118.640 121.760 -3.120 19298 7176 1 15 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.036 -0.135 19298 7177 1 15 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.664 -0.254 19298 7178 1 15 . 1 1 38 38 LEU H H 38 7.426 7.426 7.377 0.049 19298 7179 1 15 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.297 0.253 19298 7180 1 15 . 1 1 39 39 PRO C C 39 177.540 177.540 177.710 -0.170 19298 7181 1 15 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.953 -0.823 19298 7182 1 15 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.364 -0.154 19298 7183 1 15 . 1 1 40 40 VAL N N 40 114.990 114.990 118.979 -3.989 19298 7184 1 15 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.839 -0.155 19298 7185 1 15 . 1 1 40 40 VAL C C 40 175.650 175.650 175.646 0.004 19298 7186 1 15 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.829 0.631 19298 7187 1 15 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.990 -0.260 19298 7188 1 15 . 1 1 40 40 VAL H H 40 8.311 8.311 8.549 -0.238 19298 7189 1 15 . 1 1 41 41 ASP N N 41 117.410 117.410 118.565 -1.155 19298 7190 1 15 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.845 -0.161 19298 7191 1 15 . 1 1 41 41 ASP C C 41 176.140 176.140 175.645 0.495 19298 7192 1 15 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.604 -0.804 19298 7193 1 15 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.732 -1.052 19298 7194 1 15 . 1 1 41 41 ASP H H 41 7.809 7.809 7.935 -0.126 19298 7195 1 15 . 1 1 42 42 ILE N N 42 119.180 119.180 117.628 1.552 19298 7196 1 15 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.802 -0.718 19298 7197 1 15 . 1 1 42 42 ILE C C 42 173.940 173.940 176.370 -2.430 19298 7198 1 15 . 1 1 42 42 ILE CA C 42 60.770 60.770 60.473 0.297 19298 7199 1 15 . 1 1 42 42 ILE CB C 42 38.740 38.740 38.101 0.639 19298 7200 1 15 . 1 1 42 42 ILE H H 42 7.098 7.098 7.732 -0.634 19298 7201 1 15 . 1 1 43 43 LYS N N 43 126.520 126.520 126.045 0.475 19298 7202 1 15 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.865 0.128 19298 7203 1 15 . 1 1 43 43 LYS CA C 43 53.600 53.600 53.181 0.419 19298 7204 1 15 . 1 1 43 43 LYS H H 43 8.963 8.963 9.280 -0.317 19298 7205 1 15 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.356 -0.256 19298 7206 1 15 . 1 1 44 44 PRO C C 44 180.110 180.110 177.770 2.340 19298 7207 1 15 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.279 1.411 19298 7208 1 15 . 1 1 44 44 PRO CB C 44 31.810 31.810 32.011 -0.201 19298 7209 1 15 . 1 1 45 45 ARG N N 45 115.440 115.440 116.259 -0.819 19298 7210 1 15 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.336 -0.093 19298 7211 1 15 . 1 1 45 45 ARG C C 45 176.200 176.200 177.607 -1.407 19298 7212 1 15 . 1 1 45 45 ARG CA C 45 58.550 58.550 57.980 0.570 19298 7213 1 15 . 1 1 45 45 ARG CB C 45 30.420 30.420 28.680 1.740 19298 7214 1 15 . 1 1 45 45 ARG H H 45 8.922 8.922 8.625 0.297 19298 7215 1 15 . 1 1 46 46 GLU N N 46 119.720 119.720 121.339 -1.619 19298 7216 1 15 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.155 -0.117 19298 7217 1 15 . 1 1 46 46 GLU C C 46 178.820 178.820 179.051 -0.231 19298 7218 1 15 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.574 0.636 19298 7219 1 15 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.263 1.617 19298 7220 1 15 . 1 1 46 46 GLU H H 46 8.340 8.340 7.937 0.403 19298 7221 1 15 . 1 1 47 47 LEU N N 47 115.570 115.570 118.781 -3.211 19298 7222 1 15 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.348 0.025 19298 7223 1 15 . 1 1 47 47 LEU C C 47 178.380 178.380 178.915 -0.535 19298 7224 1 15 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.526 -0.006 19298 7225 1 15 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.508 0.172 19298 7226 1 15 . 1 1 47 47 LEU H H 47 7.196 7.196 7.798 -0.602 19298 7227 1 15 . 1 1 48 48 TYR N N 48 119.670 119.670 120.737 -1.067 19298 7228 1 15 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.052 0.157 19298 7229 1 15 . 1 1 48 48 TYR C C 48 176.380 176.380 177.463 -1.083 19298 7230 1 15 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.899 -1.269 19298 7231 1 15 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.511 -1.881 19298 7232 1 15 . 1 1 48 48 TYR H H 48 6.816 6.816 7.471 -0.655 19298 7233 1 15 . 1 1 49 49 LEU N N 49 118.190 118.190 118.311 -0.121 19298 7234 1 15 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.839 -0.637 19298 7235 1 15 . 1 1 49 49 LEU C C 49 179.030 179.030 178.688 0.342 19298 7236 1 15 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.616 0.124 19298 7237 1 15 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.985 1.245 19298 7238 1 15 . 1 1 49 49 LEU H H 49 8.129 8.129 8.356 -0.227 19298 7239 1 15 . 1 1 50 50 LEU N N 50 117.130 117.130 119.247 -2.117 19298 7240 1 15 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.098 -0.388 19298 7241 1 15 . 1 1 50 50 LEU C C 50 176.420 176.420 177.667 -1.247 19298 7242 1 15 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.543 -0.253 19298 7243 1 15 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.563 0.077 19298 7244 1 15 . 1 1 50 50 LEU H H 50 7.543 7.543 7.665 -0.122 19298 7245 1 15 . 1 1 51 51 PHE N N 51 110.420 110.420 115.540 -5.120 19298 7246 1 15 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.572 0.088 19298 7247 1 15 . 1 1 51 51 PHE C C 51 175.110 175.110 177.528 -2.418 19298 7248 1 15 . 1 1 51 51 PHE CA C 51 59.640 59.640 59.196 0.444 19298 7249 1 15 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.644 1.606 19298 7250 1 15 . 1 1 51 51 PHE H H 51 7.439 7.439 8.172 -0.733 19298 7251 1 15 . 1 1 52 52 ARG N N 52 120.680 120.680 121.870 -1.190 19298 7252 1 15 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.091 -0.348 19298 7253 1 15 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.584 -0.664 19298 7254 1 15 . 1 1 52 52 ARG H H 52 7.865 7.865 7.588 0.277 19298 7255 1 15 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.330 -0.128 19298 7256 1 15 . 1 1 53 53 PRO C C 53 176.600 176.600 176.330 0.270 19298 7257 1 15 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.233 1.307 19298 7258 1 15 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.525 -0.565 19298 7259 1 15 . 1 1 54 54 PHE N N 54 117.470 117.470 121.409 -3.939 19298 7260 1 15 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.635 -0.379 19298 7261 1 15 . 1 1 54 54 PHE C C 54 175.500 175.500 175.028 0.472 19298 7262 1 15 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.896 2.304 19298 7263 1 15 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.736 -0.056 19298 7264 1 15 . 1 1 54 54 PHE H H 54 7.943 7.943 7.637 0.306 19298 7265 1 15 . 1 1 55 55 LYS N N 55 126.460 126.460 126.253 0.207 19298 7266 1 15 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.268 -0.115 19298 7267 1 15 . 1 1 55 55 LYS C C 55 177.900 177.900 176.999 0.901 19298 7268 1 15 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.797 0.242 19298 7269 1 15 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.703 0.826 19298 7270 1 15 . 1 1 55 55 LYS H H 55 8.571 8.571 8.330 0.241 19298 7271 1 15 . 1 1 56 56 GLY N N 56 112.780 112.780 111.797 0.983 19298 7272 1 15 . 1 1 56 56 GLY C C 56 174.830 174.830 174.088 0.742 19298 7273 1 15 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.984 0.166 19298 7274 1 15 . 1 1 56 56 GLY H H 56 9.045 9.045 8.468 0.577 19298 7275 1 15 . 1 1 57 57 TYR N N 57 121.700 121.700 123.847 -2.147 19298 7276 1 15 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.738 -0.662 19298 7277 1 15 . 1 1 57 57 TYR C C 57 175.260 175.260 175.188 0.072 19298 7278 1 15 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.521 0.129 19298 7279 1 15 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.989 0.201 19298 7280 1 15 . 1 1 57 57 TYR H H 57 7.560 7.560 8.151 -0.591 19298 7281 1 15 . 1 1 58 58 GLU N N 58 128.500 128.500 128.447 0.053 19298 7282 1 15 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.279 -0.011 19298 7283 1 15 . 1 1 58 58 GLU C C 58 175.700 175.700 175.497 0.203 19298 7284 1 15 . 1 1 58 58 GLU CA C 58 56.340 56.340 56.989 -0.649 19298 7285 1 15 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.534 0.196 19298 7286 1 15 . 1 1 58 58 GLU H H 58 8.356 8.356 8.706 -0.350 19298 7287 1 15 . 1 1 59 59 GLY N N 59 104.920 104.920 106.792 -1.872 19298 7288 1 15 . 1 1 59 59 GLY C C 59 170.310 170.310 172.044 -1.734 19298 7289 1 15 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.568 0.962 19298 7290 1 15 . 1 1 59 59 GLY H H 59 6.411 6.411 7.380 -0.969 19298 7291 1 15 . 1 1 60 60 SER N N 60 110.020 110.020 114.572 -4.552 19298 7292 1 15 . 1 1 60 60 SER HA H 60 5.468 5.468 5.249 0.219 19298 7293 1 15 . 1 1 60 60 SER C C 60 172.470 172.470 173.190 -0.720 19298 7294 1 15 . 1 1 60 60 SER CA C 60 57.170 57.170 57.225 -0.055 19298 7295 1 15 . 1 1 60 60 SER CB C 60 66.610 66.610 66.675 -0.065 19298 7296 1 15 . 1 1 60 60 SER H H 60 8.280 8.280 8.214 0.066 19298 7297 1 15 . 1 1 61 61 LEU N N 61 118.490 118.490 125.085 -6.595 19298 7298 1 15 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.786 -0.043 19298 7299 1 15 . 1 1 61 61 LEU C C 61 174.600 174.600 174.748 -0.148 19298 7300 1 15 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.839 0.841 19298 7301 1 15 . 1 1 61 61 LEU CB C 61 45.380 45.380 45.206 0.174 19298 7302 1 15 . 1 1 61 61 LEU H H 61 8.953 8.953 8.970 -0.017 19298 7303 1 15 . 1 1 62 62 ILE N N 62 120.760 120.760 126.631 -5.871 19298 7304 1 15 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.941 -0.024 19298 7305 1 15 . 1 1 62 62 ILE C C 62 175.600 175.600 175.910 -0.310 19298 7306 1 15 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.251 0.239 19298 7307 1 15 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.459 1.461 19298 7308 1 15 . 1 1 62 62 ILE H H 62 8.639 8.639 8.552 0.087 19298 7309 1 15 . 1 1 63 63 LYS N N 63 127.240 127.240 128.776 -1.536 19298 7310 1 15 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.691 0.011 19298 7311 1 15 . 1 1 63 63 LYS C C 63 174.700 174.700 174.504 0.196 19298 7312 1 15 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.255 0.295 19298 7313 1 15 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.889 0.601 19298 7314 1 15 . 1 1 63 63 LYS H H 63 9.145 9.145 9.105 0.040 19298 7315 1 15 . 1 1 64 64 LEU N N 64 124.700 124.700 127.760 -3.060 19298 7316 1 15 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.557 0.145 19298 7317 1 15 . 1 1 64 64 LEU C C 64 177.470 177.470 176.185 1.285 19298 7318 1 15 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.505 -0.916 19298 7319 1 15 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.736 0.684 19298 7320 1 15 . 1 1 64 64 LEU H H 64 8.648 8.648 8.714 -0.066 19298 7321 1 15 . 1 1 65 65 THR N N 65 116.860 116.860 122.447 -5.587 19298 7322 1 15 . 1 1 65 65 THR HA H 65 4.521 4.521 4.582 -0.061 19298 7323 1 15 . 1 1 65 65 THR C C 65 174.160 174.160 174.390 -0.230 19298 7324 1 15 . 1 1 65 65 THR CA C 65 60.990 60.990 60.513 0.477 19298 7325 1 15 . 1 1 65 65 THR CB C 65 70.630 70.630 70.790 -0.160 19298 7326 1 15 . 1 1 65 65 THR H H 65 8.330 8.330 8.113 0.217 19298 7327 1 15 . 1 1 66 66 ALA N N 66 127.310 127.310 126.433 0.877 19298 7328 1 15 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.165 0.005 19298 7329 1 15 . 1 1 66 66 ALA C C 66 177.060 177.060 178.550 -1.490 19298 7330 1 15 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.485 -0.895 19298 7331 1 15 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.879 -0.819 19298 7332 1 15 . 1 1 66 66 ALA H H 66 8.834 8.834 8.537 0.297 19298 7333 1 15 . 1 1 67 67 ARG N N 67 113.660 113.660 117.031 -3.371 19298 7334 1 15 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.322 -0.258 19298 7335 1 15 . 1 1 67 67 ARG C C 67 175.400 175.400 176.001 -0.601 19298 7336 1 15 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.817 0.493 19298 7337 1 15 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.231 -1.461 19298 7338 1 15 . 1 1 67 67 ARG H H 67 8.335 8.335 8.392 -0.057 19298 7339 1 15 . 1 1 68 68 GLN N N 68 118.790 118.790 115.102 3.688 19298 7340 1 15 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.672 0.143 19298 7341 1 15 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.835 0.445 19298 7342 1 15 . 1 1 68 68 GLN H H 68 7.832 7.832 7.532 0.300 19298 7343 1 15 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.809 0.037 19298 7344 1 15 . 1 1 69 69 PRO C C 69 175.480 175.480 176.926 -1.446 19298 7345 1 15 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.596 0.304 19298 7346 1 15 . 1 1 69 69 PRO CB C 69 32.450 32.450 32.016 0.434 19298 7347 1 15 . 1 1 70 70 VAL N N 70 117.700 117.700 119.368 -1.668 19298 7348 1 15 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.276 0.266 19298 7349 1 15 . 1 1 70 70 VAL C C 70 174.470 174.470 175.026 -0.556 19298 7350 1 15 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.304 -0.264 19298 7351 1 15 . 1 1 70 70 VAL CB C 70 34.920 34.920 33.048 1.872 19298 7352 1 15 . 1 1 70 70 VAL H H 70 8.722 8.722 8.780 -0.058 19298 7353 1 15 . 1 1 71 71 GLY N N 71 107.930 107.930 107.965 -0.035 19298 7354 1 15 . 1 1 71 71 GLY C C 71 171.000 171.000 172.561 -1.561 19298 7355 1 15 . 1 1 71 71 GLY CA C 71 43.990 43.990 44.080 -0.090 19298 7356 1 15 . 1 1 71 71 GLY H H 71 8.716 8.716 8.448 0.268 19298 7357 1 15 . 1 1 72 72 PHE N N 72 119.400 119.400 125.685 -6.285 19298 7358 1 15 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.170 0.465 19298 7359 1 15 . 1 1 72 72 PHE C C 72 175.350 175.350 175.329 0.021 19298 7360 1 15 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.740 -0.910 19298 7361 1 15 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.595 2.515 19298 7362 1 15 . 1 1 72 72 PHE H H 72 8.934 8.934 9.235 -0.301 19298 7363 1 15 . 1 1 73 73 VAL N N 73 122.000 122.000 125.978 -3.978 19298 7364 1 15 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.429 0.134 19298 7365 1 15 . 1 1 73 73 VAL C C 73 172.930 172.930 174.634 -1.704 19298 7366 1 15 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.701 -0.941 19298 7367 1 15 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.622 1.948 19298 7368 1 15 . 1 1 73 73 VAL H H 73 8.934 8.934 9.171 -0.237 19298 7369 1 15 . 1 1 74 74 ILE N N 74 128.000 128.000 127.364 0.636 19298 7370 1 15 . 1 1 74 74 ILE HA H 74 4.867 4.867 5.332 -0.465 19298 7371 1 15 . 1 1 74 74 ILE C C 74 173.700 173.700 173.895 -0.195 19298 7372 1 15 . 1 1 74 74 ILE CA C 74 60.880 60.880 58.941 1.939 19298 7373 1 15 . 1 1 74 74 ILE CB C 74 33.400 33.400 40.244 -6.844 19298 7374 1 15 . 1 1 74 74 ILE H H 74 8.702 8.702 8.600 0.102 19298 7375 1 15 . 1 1 75 75 PHE N N 75 125.200 125.200 126.768 -1.568 19298 7376 1 15 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.240 -0.093 19298 7377 1 15 . 1 1 75 75 PHE C C 75 175.880 175.880 175.434 0.446 19298 7378 1 15 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.051 -0.831 19298 7379 1 15 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.910 2.770 19298 7380 1 15 . 1 1 75 75 PHE H H 75 8.200 8.200 9.297 -1.097 19298 7381 1 15 . 1 1 76 76 ASP N N 76 119.150 119.150 121.101 -1.951 19298 7382 1 15 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.610 -0.333 19298 7383 1 15 . 1 1 76 76 ASP C C 76 176.020 176.020 176.005 0.015 19298 7384 1 15 . 1 1 76 76 ASP CA C 76 55.580 55.580 55.594 -0.014 19298 7385 1 15 . 1 1 76 76 ASP CB C 76 40.520 40.520 42.081 -1.561 19298 7386 1 15 . 1 1 76 76 ASP H H 76 9.400 9.400 8.866 0.534 19298 7387 1 15 . 1 1 77 77 SER N N 77 111.280 111.280 113.305 -2.025 19298 7388 1 15 . 1 1 77 77 SER HA H 77 4.683 4.683 4.814 -0.131 19298 7389 1 15 . 1 1 77 77 SER C C 77 173.670 173.670 175.339 -1.669 19298 7390 1 15 . 1 1 77 77 SER CA C 77 56.620 56.620 57.392 -0.772 19298 7391 1 15 . 1 1 77 77 SER CB C 77 66.470 66.470 65.686 0.784 19298 7392 1 15 . 1 1 77 77 SER H H 77 7.804 7.804 8.137 -0.333 19298 7393 1 15 . 1 1 78 78 ARG N N 78 125.240 125.240 124.916 0.324 19298 7394 1 15 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.238 -0.208 19298 7395 1 15 . 1 1 78 78 ARG C C 78 177.710 177.710 177.893 -0.183 19298 7396 1 15 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.855 1.015 19298 7397 1 15 . 1 1 78 78 ARG CB C 78 29.800 29.800 30.001 -0.201 19298 7398 1 15 . 1 1 78 78 ARG H H 78 9.348 9.348 8.932 0.416 19298 7399 1 15 . 1 1 79 79 ALA N N 79 120.700 120.700 119.955 0.745 19298 7400 1 15 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.237 -0.037 19298 7401 1 15 . 1 1 79 79 ALA C C 79 181.360 181.360 178.940 2.420 19298 7402 1 15 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.193 1.087 19298 7403 1 15 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.164 -0.014 19298 7404 1 15 . 1 1 79 79 ALA H H 79 8.660 8.660 8.635 0.025 19298 7405 1 15 . 1 1 80 80 GLY N N 80 107.500 107.500 106.604 0.896 19298 7406 1 15 . 1 1 80 80 GLY C C 80 175.710 175.710 175.409 0.301 19298 7407 1 15 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.921 0.869 19298 7408 1 15 . 1 1 80 80 GLY H H 80 8.161 8.161 7.357 0.804 19298 7409 1 15 . 1 1 81 81 ALA N N 81 124.650 124.650 125.056 -0.406 19298 7410 1 15 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.007 -0.431 19298 7411 1 15 . 1 1 81 81 ALA C C 81 178.570 178.570 178.857 -0.287 19298 7412 1 15 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.791 -0.571 19298 7413 1 15 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.641 -0.461 19298 7414 1 15 . 1 1 81 81 ALA H H 81 7.298 7.298 7.905 -0.607 19298 7415 1 15 . 1 1 82 82 GLU N N 82 118.890 118.890 117.769 1.121 19298 7416 1 15 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.883 -0.152 19298 7417 1 15 . 1 1 82 82 GLU C C 82 177.800 177.800 178.634 -0.834 19298 7418 1 15 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.128 0.432 19298 7419 1 15 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.411 0.449 19298 7420 1 15 . 1 1 82 82 GLU H H 82 8.930 8.930 8.438 0.492 19298 7421 1 15 . 1 1 83 83 ALA N N 83 119.410 119.410 121.979 -2.569 19298 7422 1 15 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.136 -0.019 19298 7423 1 15 . 1 1 83 83 ALA C C 83 180.810 180.810 179.553 1.257 19298 7424 1 15 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.689 0.201 19298 7425 1 15 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.066 0.084 19298 7426 1 15 . 1 1 83 83 ALA H H 83 7.572 7.572 7.531 0.041 19298 7427 1 15 . 1 1 84 84 ALA N N 84 120.280 120.280 121.146 -0.866 19298 7428 1 15 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.275 -1.135 19298 7429 1 15 . 1 1 84 84 ALA C C 84 178.010 178.010 179.409 -1.399 19298 7430 1 15 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.267 -0.537 19298 7431 1 15 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.499 0.211 19298 7432 1 15 . 1 1 84 84 ALA H H 84 6.950 6.950 8.051 -1.101 19298 7433 1 15 . 1 1 85 85 LYS N N 85 118.040 118.040 117.509 0.531 19298 7434 1 15 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.885 -0.297 19298 7435 1 15 . 1 1 85 85 LYS C C 85 177.700 177.700 178.970 -1.270 19298 7436 1 15 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.112 0.448 19298 7437 1 15 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.719 0.371 19298 7438 1 15 . 1 1 85 85 LYS H H 85 8.042 8.042 8.068 -0.026 19298 7439 1 15 . 1 1 86 86 ASN N N 86 114.630 114.630 118.358 -3.728 19298 7440 1 15 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.487 -0.014 19298 7441 1 15 . 1 1 86 86 ASN C C 86 177.320 177.320 177.288 0.032 19298 7442 1 15 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.493 -0.423 19298 7443 1 15 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.078 -0.088 19298 7444 1 15 . 1 1 86 86 ASN H H 86 8.087 8.087 7.934 0.153 19298 7445 1 15 . 1 1 87 87 ALA N N 87 120.200 120.200 121.560 -1.360 19298 7446 1 15 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.229 0.078 19298 7447 1 15 . 1 1 87 87 ALA C C 87 179.630 179.630 178.653 0.977 19298 7448 1 15 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.451 -0.151 19298 7449 1 15 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.443 0.737 19298 7450 1 15 . 1 1 87 87 ALA H H 87 7.557 7.557 7.869 -0.312 19298 7451 1 15 . 1 1 88 88 LEU N N 88 114.210 114.210 116.685 -2.475 19298 7452 1 15 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.416 -0.003 19298 7453 1 15 . 1 1 88 88 LEU C C 88 176.580 176.580 176.136 0.444 19298 7454 1 15 . 1 1 88 88 LEU CA C 88 54.410 54.410 53.883 0.527 19298 7455 1 15 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.093 2.237 19298 7456 1 15 . 1 1 88 88 LEU H H 88 7.561 7.561 8.128 -0.567 19298 7457 1 15 . 1 1 89 89 ASN N N 89 117.970 117.970 117.582 0.388 19298 7458 1 15 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.644 -0.388 19298 7459 1 15 . 1 1 89 89 ASN C C 89 177.700 177.700 176.342 1.358 19298 7460 1 15 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.647 2.343 19298 7461 1 15 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.108 0.463 19298 7462 1 15 . 1 1 89 89 ASN H H 89 7.550 7.550 7.543 0.007 19298 7463 1 15 . 1 1 90 90 GLY N N 90 112.220 112.220 112.844 -0.624 19298 7464 1 15 . 1 1 90 90 GLY C C 90 174.360 174.360 173.953 0.407 19298 7465 1 15 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.823 0.937 19298 7466 1 15 . 1 1 90 90 GLY H H 90 8.734 8.734 9.012 -0.278 19298 7467 1 15 . 1 1 91 91 ILE N N 91 115.840 115.840 121.661 -5.821 19298 7468 1 15 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.143 0.333 19298 7469 1 15 . 1 1 91 91 ILE C C 91 175.940 175.940 175.018 0.922 19298 7470 1 15 . 1 1 91 91 ILE CA C 91 60.520 60.520 60.631 -0.111 19298 7471 1 15 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.177 -0.157 19298 7472 1 15 . 1 1 91 91 ILE H H 91 7.518 7.518 7.308 0.210 19298 7473 1 15 . 1 1 92 92 ARG N N 92 120.160 120.160 128.283 -8.123 19298 7474 1 15 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.169 0.308 19298 7475 1 15 . 1 1 92 92 ARG C C 92 175.840 175.840 176.236 -0.396 19298 7476 1 15 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.725 -0.065 19298 7477 1 15 . 1 1 92 92 ARG CB C 92 30.550 30.550 29.195 1.355 19298 7478 1 15 . 1 1 92 92 ARG H H 92 8.461 8.461 8.832 -0.371 19298 7479 1 15 . 1 1 93 93 PHE N N 93 126.780 126.780 126.266 0.514 19298 7480 1 15 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.342 -0.285 19298 7481 1 15 . 1 1 93 93 PHE C C 93 171.620 171.620 175.441 -3.821 19298 7482 1 15 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.715 1.296 19298 7483 1 15 . 1 1 93 93 PHE CB C 93 40.480 40.480 40.250 0.230 19298 7484 1 15 . 1 1 93 93 PHE H H 93 8.443 8.443 8.392 0.051 19298 7485 1 15 . 1 1 94 94 ASP N N 94 110.650 110.650 117.685 -7.035 19298 7486 1 15 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.818 0.051 19298 7487 1 15 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.624 -3.094 19298 7488 1 15 . 1 1 94 94 ASP H H 94 7.860 7.860 7.687 0.173 19298 7489 1 15 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.410 -0.563 19298 7490 1 15 . 1 1 95 95 PRO C C 95 177.650 177.650 176.808 0.842 19298 7491 1 15 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.344 -1.054 19298 7492 1 15 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.435 -0.345 19298 7493 1 15 . 1 1 96 96 GLU N N 96 115.270 115.270 117.858 -2.588 19298 7494 1 15 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.278 -0.053 19298 7495 1 15 . 1 1 96 96 GLU C C 96 175.310 175.310 176.429 -1.119 19298 7496 1 15 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.646 -0.476 19298 7497 1 15 . 1 1 96 96 GLU CB C 96 30.000 30.000 30.371 -0.371 19298 7498 1 15 . 1 1 96 96 GLU H H 96 7.944 7.944 8.272 -0.328 19298 7499 1 15 . 1 1 97 97 ASN N N 97 121.610 121.610 119.506 2.104 19298 7500 1 15 . 1 1 97 97 ASN HA H 97 5.202 5.202 4.954 0.248 19298 7501 1 15 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.202 -0.342 19298 7502 1 15 . 1 1 97 97 ASN H H 97 8.190 8.190 7.772 0.418 19298 7503 1 15 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.324 -0.155 19298 7504 1 15 . 1 1 98 98 PRO C C 98 176.940 176.940 176.302 0.638 19298 7505 1 15 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.717 -0.427 19298 7506 1 15 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.542 0.668 19298 7507 1 15 . 1 1 99 99 GLN N N 99 120.230 120.230 121.108 -0.878 19298 7508 1 15 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.256 -0.073 19298 7509 1 15 . 1 1 99 99 GLN C C 99 176.660 176.660 174.946 1.714 19298 7510 1 15 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.428 1.652 19298 7511 1 15 . 1 1 99 99 GLN CB C 99 28.990 28.990 28.511 0.479 19298 7512 1 15 . 1 1 99 99 GLN H H 99 8.174 8.174 8.051 0.123 19298 7513 1 15 . 1 1 100 100 THR N N 100 117.080 117.080 117.109 -0.029 19298 7514 1 15 . 1 1 100 100 THR HA H 100 4.784 4.784 4.690 0.094 19298 7515 1 15 . 1 1 100 100 THR C C 100 174.540 174.540 172.989 1.551 19298 7516 1 15 . 1 1 100 100 THR CA C 100 59.870 59.870 59.595 0.275 19298 7517 1 15 . 1 1 100 100 THR CB C 100 71.920 71.920 71.096 0.824 19298 7518 1 15 . 1 1 100 100 THR H H 100 8.241 8.241 8.216 0.025 19298 7519 1 15 . 1 1 101 101 LEU N N 101 120.720 120.720 125.635 -4.915 19298 7520 1 15 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.046 -0.407 19298 7521 1 15 . 1 1 101 101 LEU C C 101 177.930 177.930 174.656 3.274 19298 7522 1 15 . 1 1 101 101 LEU CA C 101 54.660 54.660 53.911 0.749 19298 7523 1 15 . 1 1 101 101 LEU CB C 101 44.480 44.480 44.507 -0.027 19298 7524 1 15 . 1 1 101 101 LEU H H 101 8.809 8.809 9.299 -0.490 19298 7525 1 15 . 1 1 102 102 ARG N N 102 124.040 124.040 127.090 -3.050 19298 7526 1 15 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.684 0.287 19298 7527 1 15 . 1 1 102 102 ARG C C 102 174.500 174.500 173.528 0.972 19298 7528 1 15 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.369 0.341 19298 7529 1 15 . 1 1 102 102 ARG CB C 102 32.000 32.000 33.153 -1.153 19298 7530 1 15 . 1 1 102 102 ARG H H 102 8.327 8.327 9.039 -0.712 19298 7531 1 15 . 1 1 103 103 LEU N N 103 125.780 125.780 127.665 -1.885 19298 7532 1 15 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.707 0.663 19298 7533 1 15 . 1 1 103 103 LEU C C 103 174.660 174.660 175.634 -0.974 19298 7534 1 15 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.209 0.451 19298 7535 1 15 . 1 1 103 103 LEU CB C 103 44.780 44.780 42.944 1.836 19298 7536 1 15 . 1 1 103 103 LEU H H 103 8.825 8.825 8.537 0.288 19298 7537 1 15 . 1 1 104 104 GLU N N 104 119.100 119.100 121.710 -2.610 19298 7538 1 15 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.289 0.220 19298 7539 1 15 . 1 1 104 104 GLU C C 104 175.110 175.110 174.813 0.297 19298 7540 1 15 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.119 0.321 19298 7541 1 15 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.553 0.467 19298 7542 1 15 . 1 1 104 104 GLU H H 104 8.348 8.348 7.853 0.495 19298 7543 1 15 . 1 1 105 105 PHE N N 105 121.070 121.070 120.614 0.456 19298 7544 1 15 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.893 -0.282 19298 7545 1 15 . 1 1 105 105 PHE C C 105 177.060 177.060 176.836 0.224 19298 7546 1 15 . 1 1 105 105 PHE CA C 105 61.190 61.190 58.257 2.933 19298 7547 1 15 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.701 -0.521 19298 7548 1 15 . 1 1 105 105 PHE H H 105 9.227 9.227 8.607 0.620 19298 7549 1 15 . 1 1 106 106 ALA N N 106 124.890 124.890 129.394 -4.504 19298 7550 1 15 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.781 -0.356 19298 7551 1 15 . 1 1 106 106 ALA C C 106 175.860 175.860 176.988 -1.128 19298 7552 1 15 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.216 -0.936 19298 7553 1 15 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.155 -0.405 19298 7554 1 15 . 1 1 106 106 ALA H H 106 9.567 9.567 8.887 0.680 19298 7555 1 15 . 1 1 107 107 LYS N N 107 117.510 117.510 119.582 -2.072 19298 7556 1 15 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.313 -0.141 19298 7557 1 15 . 1 1 107 107 LYS C C 107 176.060 176.060 175.381 0.679 19298 7558 1 15 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.138 0.012 19298 7559 1 15 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.534 -0.034 19298 7560 1 15 . 1 1 107 107 LYS H H 107 8.581 8.581 8.543 0.038 19298 7561 1 15 . 1 1 108 108 ALA N N 108 118.700 118.700 121.540 -2.840 19298 7562 1 15 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.517 -0.143 19298 7563 1 15 . 1 1 108 108 ALA C C 108 176.650 176.650 176.007 0.643 19298 7564 1 15 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.268 -0.398 19298 7565 1 15 . 1 1 108 108 ALA CB C 108 21.520 21.520 21.390 0.130 19298 7566 1 15 . 1 1 108 108 ALA H H 108 7.731 7.731 7.614 0.117 19298 7567 1 15 . 1 1 109 109 ASN N N 109 116.530 116.530 120.892 -4.362 19298 7568 1 15 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.786 0.187 19298 7569 1 15 . 1 1 109 109 ASN C C 109 175.940 175.940 174.896 1.044 19298 7570 1 15 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.421 -0.291 19298 7571 1 15 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.524 0.146 19298 7572 1 15 . 1 1 109 109 ASN H H 109 8.936 8.936 8.528 0.408 19298 7573 1 15 . 1 1 110 110 THR N N 110 116.260 116.260 118.781 -2.521 19298 7574 1 15 . 1 1 110 110 THR HA H 110 4.153 4.153 4.398 -0.245 19298 7575 1 15 . 1 1 110 110 THR C C 110 173.240 173.240 173.649 -0.409 19298 7576 1 15 . 1 1 110 110 THR CA C 110 61.990 61.990 61.074 0.916 19298 7577 1 15 . 1 1 110 110 THR CB C 110 69.830 69.830 70.168 -0.339 19298 7578 1 15 . 1 1 110 110 THR H H 110 7.437 7.437 8.916 -1.479 19298 7579 1 15 . 1 1 111 111 LYS N N 111 124.500 124.500 124.498 0.002 19298 7580 1 15 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.564 -0.317 19298 7581 1 15 . 1 1 111 111 LYS C C 111 176.140 176.140 175.606 0.534 19298 7582 1 15 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.150 0.780 19298 7583 1 15 . 1 1 111 111 LYS CB C 111 32.700 32.700 35.067 -2.367 19298 7584 1 15 . 1 1 111 111 LYS H H 111 8.248 8.248 8.319 -0.071 19298 7585 1 15 . 1 1 112 112 MET N N 112 122.000 122.000 122.560 -0.560 19298 7586 1 15 . 1 1 112 112 MET HA H 112 4.408 4.408 4.348 0.060 19298 7587 1 15 . 1 1 112 112 MET C C 112 175.550 175.550 176.392 -0.842 19298 7588 1 15 . 1 1 112 112 MET CA C 112 54.780 54.780 55.560 -0.780 19298 7589 1 15 . 1 1 112 112 MET CB C 112 33.280 33.280 32.518 0.762 19298 7590 1 15 . 1 1 112 112 MET H H 112 8.290 8.290 8.631 -0.341 19298 7591 1 15 . 1 1 113 113 ALA N N 113 125.150 125.150 128.614 -3.464 19298 7592 1 15 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.433 -0.177 19298 7593 1 15 . 1 1 113 113 ALA C C 113 177.580 177.580 176.921 0.659 19298 7594 1 15 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.669 0.801 19298 7595 1 15 . 1 1 113 113 ALA CB C 113 19.140 19.140 19.144 -0.004 19298 7596 1 15 . 1 1 113 113 ALA H H 113 8.213 8.213 8.568 -0.355 19298 7597 1 15 . 1 1 114 114 LYS N N 114 120.740 120.740 124.795 -4.055 19298 7598 1 15 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.345 -0.089 19298 7599 1 15 . 1 1 114 114 LYS C C 114 176.790 176.790 176.171 0.619 19298 7600 1 15 . 1 1 114 114 LYS CA C 114 56.340 56.340 55.775 0.565 19298 7601 1 15 . 1 1 114 114 LYS CB C 114 32.870 32.870 32.431 0.439 19298 7602 1 15 . 1 1 114 114 LYS H H 114 8.261 8.261 8.623 -0.362 19298 7603 1 15 . 1 1 115 115 SER N N 115 116.780 116.780 120.299 -3.519 19298 7604 1 15 . 1 1 115 115 SER HA H 115 4.393 4.393 4.393 -0.000 19298 7605 1 15 . 1 1 115 115 SER C C 115 174.710 174.710 174.584 0.126 19298 7606 1 15 . 1 1 115 115 SER CA C 115 58.410 58.410 59.219 -0.809 19298 7607 1 15 . 1 1 115 115 SER CB C 115 63.870 63.870 63.913 -0.043 19298 7608 1 15 . 1 1 115 115 SER H H 115 8.268 8.268 8.668 -0.400 19298 7609 1 15 . 1 1 116 116 LYS N N 116 123.210 123.210 127.483 -4.273 19298 7610 1 15 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.512 -0.221 19298 7611 1 15 . 1 1 116 116 LYS C C 116 176.400 176.400 175.674 0.726 19298 7612 1 15 . 1 1 116 116 LYS CA C 116 56.330 56.330 55.534 0.796 19298 7613 1 15 . 1 1 116 116 LYS CB C 116 32.710 32.710 31.568 1.142 19298 7614 1 15 . 1 1 116 116 LYS H H 116 8.346 8.346 8.637 -0.291 19298 7615 1 15 . 1 1 117 117 LEU N N 117 122.470 122.470 121.292 1.178 19298 7616 1 15 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.346 -0.070 19298 7617 1 15 . 1 1 117 117 LEU C C 117 177.080 177.080 176.618 0.462 19298 7618 1 15 . 1 1 117 117 LEU CA C 117 55.050 55.050 56.091 -1.041 19298 7619 1 15 . 1 1 117 117 LEU CB C 117 42.210 42.210 43.379 -1.169 19298 7620 1 15 . 1 1 117 117 LEU H H 117 8.093 8.093 8.297 -0.204 19298 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 84 2.947 1.605 2.486 19298 2 1 1 "Average Difference" HA 97 0.357 0.071 0.352 19298 3 1 1 "Average Difference" C 85 1.200 0.068 1.205 19298 4 1 1 "Average Difference" CA 91 0.992 -0.094 0.993 19298 5 1 1 "Average Difference" CB 79 1.260 -0.273 1.238 19298 6 1 1 "Average Difference" HN 84 0.433 0.023 0.435 19298 7 1 2 "Average Difference" N 84 3.174 1.504 2.812 19298 8 1 2 "Average Difference" HA 97 0.335 0.054 0.332 19298 9 1 2 "Average Difference" C 85 1.177 0.054 1.183 19298 10 1 2 "Average Difference" CA 91 0.946 -0.066 0.948 19298 11 1 2 "Average Difference" CB 79 1.361 -0.313 1.333 19298 12 1 2 "Average Difference" HN 84 0.425 0.032 0.426 19298 13 1 3 "Average Difference" N 84 2.833 1.404 2.475 19298 14 1 3 "Average Difference" HA 97 0.340 0.053 0.338 19298 15 1 3 "Average Difference" C 85 1.219 0.176 1.214 19298 16 1 3 "Average Difference" CA 91 0.995 0.007 1.000 19298 17 1 3 "Average Difference" CB 79 1.167 -0.326 1.128 19298 18 1 3 "Average Difference" HN 84 0.442 0.041 0.443 19298 19 1 4 "Average Difference" N 84 3.232 1.798 2.702 19298 20 1 4 "Average Difference" HA 97 0.346 0.040 0.345 19298 21 1 4 "Average Difference" C 85 1.223 0.099 1.226 19298 22 1 4 "Average Difference" CA 91 1.046 -0.114 1.045 19298 23 1 4 "Average Difference" CB 79 1.239 -0.324 1.204 19298 24 1 4 "Average Difference" HN 84 0.433 0.068 0.430 19298 25 1 5 "Average Difference" N 84 3.254 1.740 2.767 19298 26 1 5 "Average Difference" HA 97 0.355 0.056 0.353 19298 27 1 5 "Average Difference" C 85 1.163 0.077 1.168 19298 28 1 5 "Average Difference" CA 91 0.990 -0.075 0.992 19298 29 1 5 "Average Difference" CB 79 1.240 -0.333 1.202 19298 30 1 5 "Average Difference" HN 84 0.456 0.055 0.456 19298 31 1 6 "Average Difference" N 84 3.075 1.569 2.661 19298 32 1 6 "Average Difference" HA 97 0.340 0.053 0.337 19298 33 1 6 "Average Difference" C 85 1.217 0.102 1.220 19298 34 1 6 "Average Difference" CA 91 0.966 -0.088 0.967 19298 35 1 6 "Average Difference" CB 79 1.258 -0.245 1.242 19298 36 1 6 "Average Difference" HN 84 0.469 0.026 0.471 19298 37 1 7 "Average Difference" N 84 3.085 1.637 2.631 19298 38 1 7 "Average Difference" HA 97 0.353 0.052 0.351 19298 39 1 7 "Average Difference" C 85 1.153 0.043 1.159 19298 40 1 7 "Average Difference" CA 91 0.866 -0.102 0.865 19298 41 1 7 "Average Difference" CB 79 1.205 -0.107 1.208 19298 42 1 7 "Average Difference" HN 84 0.411 0.035 0.412 19298 43 1 8 "Average Difference" N 84 3.169 1.670 2.710 19298 44 1 8 "Average Difference" HA 97 0.368 0.065 0.364 19298 45 1 8 "Average Difference" C 85 1.190 0.128 1.190 19298 46 1 8 "Average Difference" CA 91 0.984 -0.046 0.988 19298 47 1 8 "Average Difference" CB 79 1.336 -0.271 1.316 19298 48 1 8 "Average Difference" HN 84 0.449 0.058 0.448 19298 49 1 9 "Average Difference" N 84 3.134 1.666 2.670 19298 50 1 9 "Average Difference" HA 97 0.349 0.070 0.344 19298 51 1 9 "Average Difference" C 85 1.281 0.041 1.288 19298 52 1 9 "Average Difference" CA 91 1.110 -0.155 1.105 19298 53 1 9 "Average Difference" CB 79 1.275 -0.271 1.253 19298 54 1 9 "Average Difference" HN 84 0.485 0.061 0.484 19298 55 1 10 "Average Difference" N 84 2.849 1.461 2.460 19298 56 1 10 "Average Difference" HA 97 0.340 0.065 0.336 19298 57 1 10 "Average Difference" C 85 1.157 0.095 1.160 19298 58 1 10 "Average Difference" CA 91 0.925 -0.108 0.924 19298 59 1 10 "Average Difference" CB 79 1.247 -0.183 1.242 19298 60 1 10 "Average Difference" HN 84 0.442 0.042 0.442 19298 61 1 11 "Average Difference" N 84 2.775 1.526 2.332 19298 62 1 11 "Average Difference" HA 97 0.351 0.083 0.343 19298 63 1 11 "Average Difference" C 85 1.190 0.158 1.186 19298 64 1 11 "Average Difference" CA 91 0.931 -0.079 0.932 19298 65 1 11 "Average Difference" CB 79 1.268 -0.170 1.265 19298 66 1 11 "Average Difference" HN 84 0.423 0.059 0.421 19298 67 1 12 "Average Difference" N 84 3.080 1.075 2.903 19298 68 1 12 "Average Difference" HA 97 0.339 0.036 0.339 19298 69 1 12 "Average Difference" C 85 1.196 0.120 1.198 19298 70 1 12 "Average Difference" CA 91 0.994 0.004 1.000 19298 71 1 12 "Average Difference" CB 79 1.287 -0.316 1.256 19298 72 1 12 "Average Difference" HN 84 0.432 0.026 0.434 19298 73 1 13 "Average Difference" N 84 2.846 1.376 2.507 19298 74 1 13 "Average Difference" HA 97 0.341 0.052 0.339 19298 75 1 13 "Average Difference" C 85 1.193 0.064 1.198 19298 76 1 13 "Average Difference" CA 91 1.102 -0.096 1.104 19298 77 1 13 "Average Difference" CB 79 1.107 -0.156 1.103 19298 78 1 13 "Average Difference" HN 84 0.505 0.028 0.508 19298 79 1 14 "Average Difference" N 84 2.922 1.542 2.497 19298 80 1 14 "Average Difference" HA 97 0.339 0.042 0.338 19298 81 1 14 "Average Difference" C 85 1.139 0.184 1.131 19298 82 1 14 "Average Difference" CA 91 0.931 -0.021 0.936 19298 83 1 14 "Average Difference" CB 79 1.304 -0.294 1.279 19298 84 1 14 "Average Difference" HN 84 0.449 0.073 0.446 19298 85 1 15 "Average Difference" N 84 2.960 1.628 2.487 19298 86 1 15 "Average Difference" HA 97 0.354 0.070 0.349 19298 87 1 15 "Average Difference" C 85 1.207 0.118 1.209 19298 88 1 15 "Average Difference" CA 91 1.006 -0.130 1.003 19298 89 1 15 "Average Difference" CB 79 1.305 -0.207 1.297 19298 90 1 15 "Average Difference" HN 84 0.446 0.060 0.444 19298 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 19298 _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 27 27 GLU HA H 27 4.366 4.366 4.414 -0.048 19298 2 1 . 1 1 27 27 GLU C C 27 176.230 176.230 176.072 0.158 19298 3 1 . 1 1 27 27 GLU CA C 27 56.240 56.240 56.510 -0.270 19298 4 1 . 1 1 27 27 GLU CB C 27 30.720 30.720 30.696 0.024 19298 5 1 . 1 1 28 28 GLU N N 28 122.500 122.500 121.048 1.452 19298 6 1 . 1 1 28 28 GLU HA H 28 4.262 4.262 4.341 -0.079 19298 7 1 . 1 1 28 28 GLU C C 28 175.860 175.860 175.437 0.423 19298 8 1 . 1 1 28 28 GLU CA C 28 56.360 56.360 56.335 0.025 19298 9 1 . 1 1 28 28 GLU CB C 28 30.510 30.510 29.749 0.761 19298 10 1 . 1 1 28 28 GLU H H 28 8.521 8.521 8.418 0.103 19298 11 1 . 1 1 29 29 GLU N N 29 123.290 123.290 122.188 1.102 19298 12 1 . 1 1 29 29 GLU HA H 29 4.231 4.231 4.327 -0.096 19298 13 1 . 1 1 29 29 GLU C C 29 176.740 176.740 175.603 1.137 19298 14 1 . 1 1 29 29 GLU CA C 29 56.360 56.360 55.579 0.781 19298 15 1 . 1 1 29 29 GLU CB C 29 30.840 30.840 30.687 0.153 19298 16 1 . 1 1 29 29 GLU H H 29 8.521 8.521 8.219 0.302 19298 17 1 . 1 1 30 30 VAL N N 30 125.640 125.640 122.929 2.711 19298 18 1 . 1 1 30 30 VAL HA H 30 3.807 3.807 4.106 -0.299 19298 19 1 . 1 1 30 30 VAL C C 30 175.110 175.110 175.796 -0.686 19298 20 1 . 1 1 30 30 VAL CA C 30 65.080 65.080 62.835 2.245 19298 21 1 . 1 1 30 30 VAL CB C 30 31.330 31.330 31.299 0.031 19298 22 1 . 1 1 30 30 VAL H H 30 8.715 8.715 8.292 0.423 19298 23 1 . 1 1 31 31 ARG N N 31 124.730 124.730 125.153 -0.423 19298 24 1 . 1 1 31 31 ARG HA H 31 4.674 4.674 4.659 0.015 19298 25 1 . 1 1 31 31 ARG C C 31 172.600 172.600 175.720 -3.120 19298 26 1 . 1 1 31 31 ARG CA C 31 54.580 54.580 56.209 -1.629 19298 27 1 . 1 1 31 31 ARG CB C 31 29.750 29.750 31.474 -1.724 19298 28 1 . 1 1 31 31 ARG H H 31 9.378 9.378 8.979 0.399 19298 29 1 . 1 1 32 32 THR N N 32 115.380 115.380 117.484 -2.104 19298 30 1 . 1 1 32 32 THR HA H 32 5.471 5.471 5.498 -0.027 19298 31 1 . 1 1 32 32 THR C C 32 173.810 173.810 173.453 0.357 19298 32 1 . 1 1 32 32 THR CA C 32 61.250 61.250 62.350 -1.100 19298 33 1 . 1 1 32 32 THR CB C 32 71.360 71.360 70.981 0.379 19298 34 1 . 1 1 32 32 THR H H 32 7.144 7.144 7.866 -0.722 19298 35 1 . 1 1 33 33 LEU N N 33 124.600 124.600 126.379 -1.779 19298 36 1 . 1 1 33 33 LEU HA H 33 4.927 4.927 5.209 -0.282 19298 37 1 . 1 1 33 33 LEU C C 33 174.960 174.960 175.381 -0.421 19298 38 1 . 1 1 33 33 LEU CA C 33 52.890 52.890 53.719 -0.829 19298 39 1 . 1 1 33 33 LEU CB C 33 44.910 44.910 44.796 0.114 19298 40 1 . 1 1 33 33 LEU H H 33 9.701 9.701 9.360 0.341 19298 41 1 . 1 1 34 34 PHE N N 34 122.600 122.600 120.872 1.728 19298 42 1 . 1 1 34 34 PHE HA H 34 5.089 5.089 5.167 -0.078 19298 43 1 . 1 1 34 34 PHE C C 34 174.530 174.530 174.113 0.417 19298 44 1 . 1 1 34 34 PHE CA C 34 55.740 55.740 55.023 0.717 19298 45 1 . 1 1 34 34 PHE CB C 34 41.410 41.410 39.588 1.822 19298 46 1 . 1 1 34 34 PHE H H 34 9.411 9.411 9.245 0.166 19298 47 1 . 1 1 35 35 VAL N N 35 127.050 127.050 127.901 -0.851 19298 48 1 . 1 1 35 35 VAL HA H 35 4.726 4.726 4.494 0.232 19298 49 1 . 1 1 35 35 VAL C C 35 173.520 173.520 175.562 -2.042 19298 50 1 . 1 1 35 35 VAL CA C 35 60.650 60.650 61.715 -1.065 19298 51 1 . 1 1 35 35 VAL CB C 35 34.170 34.170 31.953 2.217 19298 52 1 . 1 1 35 35 VAL H H 35 8.878 8.878 8.682 0.196 19298 53 1 . 1 1 36 36 SER N N 36 120.260 120.260 121.783 -1.523 19298 54 1 . 1 1 36 36 SER HA H 36 4.876 4.876 4.760 0.116 19298 55 1 . 1 1 36 36 SER C C 36 173.170 173.170 174.725 -1.555 19298 56 1 . 1 1 36 36 SER CA C 36 56.700 56.700 56.433 0.267 19298 57 1 . 1 1 36 36 SER CB C 36 65.440 65.440 65.906 -0.466 19298 58 1 . 1 1 36 36 SER H H 36 8.964 8.964 8.852 0.112 19298 59 1 . 1 1 37 37 GLY N N 37 108.690 108.690 108.319 0.371 19298 60 1 . 1 1 37 37 GLY C C 37 174.150 174.150 173.330 0.820 19298 61 1 . 1 1 37 37 GLY CA C 37 45.530 45.530 45.281 0.249 19298 62 1 . 1 1 37 37 GLY H H 37 8.567 8.567 8.947 -0.380 19298 63 1 . 1 1 38 38 LEU N N 38 118.640 118.640 121.059 -2.419 19298 64 1 . 1 1 38 38 LEU HA H 38 3.901 3.901 4.161 -0.260 19298 65 1 . 1 1 38 38 LEU CA C 38 51.410 51.410 51.681 -0.271 19298 66 1 . 1 1 38 38 LEU H H 38 7.426 7.426 7.551 -0.125 19298 67 1 . 1 1 39 39 PRO HA H 39 4.550 4.550 4.356 0.194 19298 68 1 . 1 1 39 39 PRO C C 39 177.540 177.540 177.644 -0.104 19298 69 1 . 1 1 39 39 PRO CA C 39 62.130 62.130 62.379 -0.249 19298 70 1 . 1 1 39 39 PRO CB C 39 32.210 32.210 32.524 -0.314 19298 71 1 . 1 1 40 40 VAL N N 40 114.990 114.990 119.471 -4.481 19298 72 1 . 1 1 40 40 VAL HA H 40 3.684 3.684 3.872 -0.188 19298 73 1 . 1 1 40 40 VAL C C 40 175.650 175.650 175.518 0.132 19298 74 1 . 1 1 40 40 VAL CA C 40 64.460 64.460 63.903 0.557 19298 75 1 . 1 1 40 40 VAL CB C 40 31.730 31.730 31.863 -0.133 19298 76 1 . 1 1 40 40 VAL H H 40 8.311 8.311 8.534 -0.223 19298 77 1 . 1 1 41 41 ASP N N 41 117.410 117.410 118.123 -0.713 19298 78 1 . 1 1 41 41 ASP HA H 41 4.684 4.684 4.709 -0.025 19298 79 1 . 1 1 41 41 ASP C C 41 176.140 176.140 175.605 0.535 19298 80 1 . 1 1 41 41 ASP CA C 41 51.800 51.800 52.806 -1.006 19298 81 1 . 1 1 41 41 ASP CB C 41 39.680 39.680 40.733 -1.053 19298 82 1 . 1 1 41 41 ASP H H 41 7.809 7.809 7.924 -0.115 19298 83 1 . 1 1 42 42 ILE N N 42 119.180 119.180 120.239 -1.059 19298 84 1 . 1 1 42 42 ILE HA H 42 4.084 4.084 4.411 -0.327 19298 85 1 . 1 1 42 42 ILE C C 42 173.940 173.940 176.048 -2.108 19298 86 1 . 1 1 42 42 ILE CA C 42 60.770 60.770 61.229 -0.459 19298 87 1 . 1 1 42 42 ILE CB C 42 38.740 38.740 37.935 0.805 19298 88 1 . 1 1 42 42 ILE H H 42 7.098 7.098 7.598 -0.500 19298 89 1 . 1 1 43 43 LYS N N 43 126.520 126.520 129.670 -3.150 19298 90 1 . 1 1 43 43 LYS HA H 43 4.993 4.993 4.881 0.112 19298 91 1 . 1 1 43 43 LYS CA C 43 53.600 53.600 52.862 0.738 19298 92 1 . 1 1 43 43 LYS H H 43 8.963 8.963 9.441 -0.478 19298 93 1 . 1 1 44 44 PRO HA H 44 4.100 4.100 4.288 -0.188 19298 94 1 . 1 1 44 44 PRO C C 44 180.110 180.110 177.894 2.216 19298 95 1 . 1 1 44 44 PRO CA C 44 66.690 66.690 65.416 1.274 19298 96 1 . 1 1 44 44 PRO CB C 44 31.810 31.810 31.962 -0.152 19298 97 1 . 1 1 45 45 ARG N N 45 115.440 115.440 117.026 -1.586 19298 98 1 . 1 1 45 45 ARG HA H 45 4.243 4.243 4.260 -0.017 19298 99 1 . 1 1 45 45 ARG C C 45 176.200 176.200 178.070 -1.870 19298 100 1 . 1 1 45 45 ARG CA C 45 58.550 58.550 58.597 -0.047 19298 101 1 . 1 1 45 45 ARG CB C 45 30.420 30.420 29.002 1.418 19298 102 1 . 1 1 45 45 ARG H H 45 8.922 8.922 8.696 0.226 19298 103 1 . 1 1 46 46 GLU N N 46 119.720 119.720 121.139 -1.419 19298 104 1 . 1 1 46 46 GLU HA H 46 4.038 4.038 4.167 -0.129 19298 105 1 . 1 1 46 46 GLU C C 46 178.820 178.820 179.125 -0.305 19298 106 1 . 1 1 46 46 GLU CA C 46 60.210 60.210 59.324 0.885 19298 107 1 . 1 1 46 46 GLU CB C 46 30.880 30.880 29.418 1.462 19298 108 1 . 1 1 46 46 GLU H H 46 8.340 8.340 8.070 0.270 19298 109 1 . 1 1 47 47 LEU N N 47 115.570 115.570 119.644 -4.074 19298 110 1 . 1 1 47 47 LEU HA H 47 4.373 4.373 4.189 0.184 19298 111 1 . 1 1 47 47 LEU C C 47 178.380 178.380 178.854 -0.474 19298 112 1 . 1 1 47 47 LEU CA C 47 57.520 57.520 57.739 -0.219 19298 113 1 . 1 1 47 47 LEU CB C 47 41.680 41.680 41.697 -0.017 19298 114 1 . 1 1 47 47 LEU H H 47 7.196 7.196 7.726 -0.530 19298 115 1 . 1 1 48 48 TYR N N 48 119.670 119.670 120.597 -0.927 19298 116 1 . 1 1 48 48 TYR HA H 48 4.209 4.209 4.060 0.149 19298 117 1 . 1 1 48 48 TYR C C 48 176.380 176.380 177.538 -1.158 19298 118 1 . 1 1 48 48 TYR CA C 48 60.630 60.630 61.994 -1.364 19298 119 1 . 1 1 48 48 TYR CB C 48 36.630 36.630 38.520 -1.890 19298 120 1 . 1 1 48 48 TYR H H 48 6.816 6.816 7.703 -0.887 19298 121 1 . 1 1 49 49 LEU N N 49 118.190 118.190 118.044 0.146 19298 122 1 . 1 1 49 49 LEU HA H 49 3.202 3.202 3.859 -0.657 19298 123 1 . 1 1 49 49 LEU C C 49 179.030 179.030 179.019 0.011 19298 124 1 . 1 1 49 49 LEU CA C 49 57.740 57.740 57.450 0.290 19298 125 1 . 1 1 49 49 LEU CB C 49 43.230 43.230 41.857 1.373 19298 126 1 . 1 1 49 49 LEU H H 49 8.129 8.129 8.280 -0.151 19298 127 1 . 1 1 50 50 LEU N N 50 117.130 117.130 119.972 -2.842 19298 128 1 . 1 1 50 50 LEU HA H 50 3.710 3.710 4.010 -0.300 19298 129 1 . 1 1 50 50 LEU C C 50 176.420 176.420 177.707 -1.287 19298 130 1 . 1 1 50 50 LEU CA C 50 57.290 57.290 57.612 -0.322 19298 131 1 . 1 1 50 50 LEU CB C 50 42.640 42.640 42.310 0.330 19298 132 1 . 1 1 50 50 LEU H H 50 7.543 7.543 7.823 -0.280 19298 133 1 . 1 1 51 51 PHE N N 51 110.420 110.420 114.586 -4.166 19298 134 1 . 1 1 51 51 PHE HA H 51 4.660 4.660 4.530 0.130 19298 135 1 . 1 1 51 51 PHE C C 51 175.110 175.110 177.192 -2.082 19298 136 1 . 1 1 51 51 PHE CA C 51 59.640 59.640 58.999 0.641 19298 137 1 . 1 1 51 51 PHE CB C 51 40.250 40.250 38.314 1.936 19298 138 1 . 1 1 51 51 PHE H H 51 7.439 7.439 8.041 -0.602 19298 139 1 . 1 1 52 52 ARG N N 52 120.680 120.680 120.845 -0.165 19298 140 1 . 1 1 52 52 ARG HA H 52 3.743 3.743 4.104 -0.361 19298 141 1 . 1 1 52 52 ARG CA C 52 59.920 59.920 60.138 -0.218 19298 142 1 . 1 1 52 52 ARG H H 52 7.865 7.865 7.437 0.428 19298 143 1 . 1 1 53 53 PRO HA H 53 4.202 4.202 4.336 -0.134 19298 144 1 . 1 1 53 53 PRO C C 53 176.600 176.600 176.476 0.124 19298 145 1 . 1 1 53 53 PRO CA C 53 64.540 64.540 63.488 1.052 19298 146 1 . 1 1 53 53 PRO CB C 53 30.960 30.960 31.593 -0.633 19298 147 1 . 1 1 54 54 PHE N N 54 117.470 117.470 120.619 -3.149 19298 148 1 . 1 1 54 54 PHE HA H 54 4.256 4.256 4.644 -0.388 19298 149 1 . 1 1 54 54 PHE C C 54 175.500 175.500 175.097 0.403 19298 150 1 . 1 1 54 54 PHE CA C 54 59.200 59.200 56.892 2.308 19298 151 1 . 1 1 54 54 PHE CB C 54 38.680 38.680 38.713 -0.033 19298 152 1 . 1 1 54 54 PHE H H 54 7.943 7.943 7.672 0.271 19298 153 1 . 1 1 55 55 LYS N N 55 126.460 126.460 125.859 0.601 19298 154 1 . 1 1 55 55 LYS HA H 55 4.153 4.153 4.309 -0.156 19298 155 1 . 1 1 55 55 LYS C C 55 177.900 177.900 176.826 1.074 19298 156 1 . 1 1 55 55 LYS CA C 55 58.040 58.040 57.359 0.681 19298 157 1 . 1 1 55 55 LYS CB C 55 32.530 32.530 31.604 0.926 19298 158 1 . 1 1 55 55 LYS H H 55 8.571 8.571 8.277 0.294 19298 159 1 . 1 1 56 56 GLY N N 56 112.780 112.780 111.262 1.518 19298 160 1 . 1 1 56 56 GLY C C 56 174.830 174.830 173.860 0.970 19298 161 1 . 1 1 56 56 GLY CA C 56 45.150 45.150 44.904 0.246 19298 162 1 . 1 1 56 56 GLY H H 56 9.045 9.045 8.426 0.619 19298 163 1 . 1 1 57 57 TYR N N 57 121.700 121.700 123.603 -1.903 19298 164 1 . 1 1 57 57 TYR HA H 57 3.076 3.076 3.603 -0.527 19298 165 1 . 1 1 57 57 TYR C C 57 175.260 175.260 175.079 0.181 19298 166 1 . 1 1 57 57 TYR CA C 57 59.650 59.650 59.105 0.545 19298 167 1 . 1 1 57 57 TYR CB C 57 38.190 38.190 37.779 0.411 19298 168 1 . 1 1 57 57 TYR H H 57 7.560 7.560 7.743 -0.183 19298 169 1 . 1 1 58 58 GLU N N 58 128.500 128.500 127.923 0.577 19298 170 1 . 1 1 58 58 GLU HA H 58 4.268 4.268 4.230 0.038 19298 171 1 . 1 1 58 58 GLU C C 58 175.700 175.700 175.774 -0.074 19298 172 1 . 1 1 58 58 GLU CA C 58 56.340 56.340 57.132 -0.792 19298 173 1 . 1 1 58 58 GLU CB C 58 31.730 31.730 31.295 0.435 19298 174 1 . 1 1 58 58 GLU H H 58 8.356 8.356 8.524 -0.168 19298 175 1 . 1 1 59 59 GLY N N 59 104.920 104.920 106.755 -1.835 19298 176 1 . 1 1 59 59 GLY C C 59 170.310 170.310 171.998 -1.688 19298 177 1 . 1 1 59 59 GLY CA C 59 45.530 45.530 44.929 0.601 19298 178 1 . 1 1 59 59 GLY H H 59 6.411 6.411 7.304 -0.893 19298 179 1 . 1 1 60 60 SER N N 60 110.020 110.020 115.063 -5.043 19298 180 1 . 1 1 60 60 SER HA H 60 5.468 5.468 5.262 0.206 19298 181 1 . 1 1 60 60 SER C C 60 172.470 172.470 173.466 -0.996 19298 182 1 . 1 1 60 60 SER CA C 60 57.170 57.170 57.053 0.117 19298 183 1 . 1 1 60 60 SER CB C 60 66.610 66.610 66.404 0.206 19298 184 1 . 1 1 60 60 SER H H 60 8.280 8.280 8.290 -0.010 19298 185 1 . 1 1 61 61 LEU N N 61 118.490 118.490 125.343 -6.853 19298 186 1 . 1 1 61 61 LEU HA H 61 4.743 4.743 4.785 -0.042 19298 187 1 . 1 1 61 61 LEU C C 61 174.600 174.600 175.245 -0.645 19298 188 1 . 1 1 61 61 LEU CA C 61 54.680 54.680 53.943 0.737 19298 189 1 . 1 1 61 61 LEU CB C 61 45.380 45.380 44.417 0.963 19298 190 1 . 1 1 61 61 LEU H H 61 8.953 8.953 9.050 -0.097 19298 191 1 . 1 1 62 62 ILE N N 62 120.760 120.760 124.469 -3.709 19298 192 1 . 1 1 62 62 ILE HA H 62 4.917 4.917 4.896 0.021 19298 193 1 . 1 1 62 62 ILE C C 62 175.600 175.600 175.818 -0.218 19298 194 1 . 1 1 62 62 ILE CA C 62 59.490 59.490 59.481 0.009 19298 195 1 . 1 1 62 62 ILE CB C 62 39.920 39.920 38.875 1.045 19298 196 1 . 1 1 62 62 ILE H H 62 8.639 8.639 8.565 0.074 19298 197 1 . 1 1 63 63 LYS N N 63 127.240 127.240 128.142 -0.902 19298 198 1 . 1 1 63 63 LYS HA H 63 4.702 4.702 4.692 0.010 19298 199 1 . 1 1 63 63 LYS C C 63 174.700 174.700 174.681 0.019 19298 200 1 . 1 1 63 63 LYS CA C 63 54.550 54.550 54.438 0.112 19298 201 1 . 1 1 63 63 LYS CB C 63 35.490 35.490 34.963 0.527 19298 202 1 . 1 1 63 63 LYS H H 63 9.145 9.145 9.059 0.086 19298 203 1 . 1 1 64 64 LEU N N 64 124.700 124.700 127.812 -3.112 19298 204 1 . 1 1 64 64 LEU HA H 64 4.702 4.702 4.461 0.241 19298 205 1 . 1 1 64 64 LEU C C 64 177.470 177.470 176.231 1.239 19298 206 1 . 1 1 64 64 LEU CA C 64 54.590 54.590 55.344 -0.754 19298 207 1 . 1 1 64 64 LEU CB C 64 42.420 42.420 41.422 0.998 19298 208 1 . 1 1 64 64 LEU H H 64 8.648 8.648 8.768 -0.120 19298 209 1 . 1 1 65 65 THR N N 65 116.860 116.860 122.471 -5.611 19298 210 1 . 1 1 65 65 THR HA H 65 4.521 4.521 4.534 -0.013 19298 211 1 . 1 1 65 65 THR C C 65 174.160 174.160 174.351 -0.191 19298 212 1 . 1 1 65 65 THR CA C 65 60.990 60.990 60.820 0.170 19298 213 1 . 1 1 65 65 THR CB C 65 70.630 70.630 70.810 -0.181 19298 214 1 . 1 1 65 65 THR H H 65 8.330 8.330 7.842 0.488 19298 215 1 . 1 1 66 66 ALA N N 66 127.310 127.310 126.042 1.268 19298 216 1 . 1 1 66 66 ALA HA H 66 4.170 4.170 4.140 0.030 19298 217 1 . 1 1 66 66 ALA C C 66 177.060 177.060 178.457 -1.397 19298 218 1 . 1 1 66 66 ALA CA C 66 53.590 53.590 54.506 -0.916 19298 219 1 . 1 1 66 66 ALA CB C 66 18.060 18.060 18.712 -0.652 19298 220 1 . 1 1 66 66 ALA H H 66 8.834 8.834 8.575 0.259 19298 221 1 . 1 1 67 67 ARG N N 67 113.660 113.660 116.564 -2.904 19298 222 1 . 1 1 67 67 ARG HA H 67 4.064 4.064 4.366 -0.302 19298 223 1 . 1 1 67 67 ARG C C 67 175.400 175.400 175.266 0.134 19298 224 1 . 1 1 67 67 ARG CA C 67 57.310 57.310 56.493 0.817 19298 225 1 . 1 1 67 67 ARG CB C 67 29.770 29.770 31.072 -1.302 19298 226 1 . 1 1 67 67 ARG H H 67 8.335 8.335 8.295 0.040 19298 227 1 . 1 1 68 68 GLN N N 68 118.790 118.790 115.757 3.033 19298 228 1 . 1 1 68 68 GLN HA H 68 4.815 4.815 4.688 0.127 19298 229 1 . 1 1 68 68 GLN CA C 68 53.280 53.280 52.905 0.375 19298 230 1 . 1 1 68 68 GLN H H 68 7.832 7.832 7.529 0.303 19298 231 1 . 1 1 69 69 PRO HA H 69 4.846 4.846 4.781 0.065 19298 232 1 . 1 1 69 69 PRO C C 69 175.480 175.480 176.715 -1.235 19298 233 1 . 1 1 69 69 PRO CA C 69 62.900 62.900 62.650 0.250 19298 234 1 . 1 1 69 69 PRO CB C 69 32.450 32.450 31.628 0.822 19298 235 1 . 1 1 70 70 VAL N N 70 117.700 117.700 120.244 -2.544 19298 236 1 . 1 1 70 70 VAL HA H 70 4.542 4.542 4.370 0.172 19298 237 1 . 1 1 70 70 VAL C C 70 174.470 174.470 175.146 -0.676 19298 238 1 . 1 1 70 70 VAL CA C 70 60.040 60.040 60.226 -0.186 19298 239 1 . 1 1 70 70 VAL CB C 70 34.920 34.920 32.929 1.991 19298 240 1 . 1 1 70 70 VAL H H 70 8.722 8.722 8.630 0.092 19298 241 1 . 1 1 71 71 GLY N N 71 107.930 107.930 109.643 -1.713 19298 242 1 . 1 1 71 71 GLY C C 71 171.000 171.000 172.608 -1.608 19298 243 1 . 1 1 71 71 GLY CA C 71 43.990 43.990 43.873 0.117 19298 244 1 . 1 1 71 71 GLY H H 71 8.716 8.716 8.507 0.209 19298 245 1 . 1 1 72 72 PHE N N 72 119.400 119.400 125.527 -6.127 19298 246 1 . 1 1 72 72 PHE HA H 72 5.635 5.635 5.228 0.407 19298 247 1 . 1 1 72 72 PHE C C 72 175.350 175.350 175.429 -0.079 19298 248 1 . 1 1 72 72 PHE CA C 72 56.830 56.830 57.585 -0.755 19298 249 1 . 1 1 72 72 PHE CB C 72 42.110 42.110 39.633 2.477 19298 250 1 . 1 1 72 72 PHE H H 72 8.934 8.934 9.274 -0.340 19298 251 1 . 1 1 73 73 VAL N N 73 122.000 122.000 125.552 -3.552 19298 252 1 . 1 1 73 73 VAL HA H 73 4.563 4.563 4.488 0.075 19298 253 1 . 1 1 73 73 VAL C C 73 172.930 172.930 174.982 -2.052 19298 254 1 . 1 1 73 73 VAL CA C 73 60.760 60.760 61.698 -0.938 19298 255 1 . 1 1 73 73 VAL CB C 73 34.570 34.570 32.757 1.813 19298 256 1 . 1 1 73 73 VAL H H 73 8.934 8.934 9.186 -0.252 19298 257 1 . 1 1 74 74 ILE N N 74 128.000 128.000 126.940 1.060 19298 258 1 . 1 1 74 74 ILE HA H 74 4.867 4.867 4.989 -0.122 19298 259 1 . 1 1 74 74 ILE C C 74 173.700 173.700 174.507 -0.807 19298 260 1 . 1 1 74 74 ILE CA C 74 60.880 60.880 59.669 1.211 19298 261 1 . 1 1 74 74 ILE CB C 74 33.400 33.400 39.261 -5.861 19298 262 1 . 1 1 74 74 ILE H H 74 8.702 8.702 8.757 -0.055 19298 263 1 . 1 1 75 75 PHE N N 75 125.200 125.200 126.893 -1.693 19298 264 1 . 1 1 75 75 PHE HA H 75 5.147 5.147 5.188 -0.041 19298 265 1 . 1 1 75 75 PHE C C 75 175.880 175.880 176.146 -0.266 19298 266 1 . 1 1 75 75 PHE CA C 75 56.220 56.220 57.174 -0.954 19298 267 1 . 1 1 75 75 PHE CB C 75 44.680 44.680 41.950 2.730 19298 268 1 . 1 1 75 75 PHE H H 75 8.200 8.200 9.187 -0.987 19298 269 1 . 1 1 76 76 ASP N N 76 119.150 119.150 120.474 -1.324 19298 270 1 . 1 1 76 76 ASP HA H 76 4.277 4.277 4.486 -0.209 19298 271 1 . 1 1 76 76 ASP C C 76 176.020 176.020 175.698 0.322 19298 272 1 . 1 1 76 76 ASP CA C 76 55.580 55.580 56.664 -1.084 19298 273 1 . 1 1 76 76 ASP CB C 76 40.520 40.520 41.816 -1.296 19298 274 1 . 1 1 76 76 ASP H H 76 9.400 9.400 8.900 0.500 19298 275 1 . 1 1 77 77 SER N N 77 111.280 111.280 110.286 0.994 19298 276 1 . 1 1 77 77 SER HA H 77 4.683 4.683 4.786 -0.103 19298 277 1 . 1 1 77 77 SER C C 77 173.670 173.670 174.686 -1.016 19298 278 1 . 1 1 77 77 SER CA C 77 56.620 56.620 57.163 -0.543 19298 279 1 . 1 1 77 77 SER CB C 77 66.470 66.470 66.345 0.125 19298 280 1 . 1 1 77 77 SER H H 77 7.804 7.804 7.841 -0.037 19298 281 1 . 1 1 78 78 ARG N N 78 125.240 125.240 123.277 1.963 19298 282 1 . 1 1 78 78 ARG HA H 78 4.030 4.030 4.432 -0.402 19298 283 1 . 1 1 78 78 ARG C C 78 177.710 177.710 177.816 -0.106 19298 284 1 . 1 1 78 78 ARG CA C 78 59.870 59.870 58.995 0.875 19298 285 1 . 1 1 78 78 ARG CB C 78 29.800 29.800 29.667 0.133 19298 286 1 . 1 1 78 78 ARG H H 78 9.348 9.348 9.055 0.293 19298 287 1 . 1 1 79 79 ALA N N 79 120.700 120.700 121.515 -0.815 19298 288 1 . 1 1 79 79 ALA HA H 79 4.200 4.200 4.412 -0.212 19298 289 1 . 1 1 79 79 ALA C C 79 181.360 181.360 179.449 1.911 19298 290 1 . 1 1 79 79 ALA CA C 79 55.280 55.280 54.475 0.805 19298 291 1 . 1 1 79 79 ALA CB C 79 18.150 18.150 18.118 0.032 19298 292 1 . 1 1 79 79 ALA H H 79 8.660 8.660 8.469 0.191 19298 293 1 . 1 1 80 80 GLY N N 80 107.500 107.500 106.347 1.153 19298 294 1 . 1 1 80 80 GLY C C 80 175.710 175.710 175.505 0.205 19298 295 1 . 1 1 80 80 GLY CA C 80 46.790 46.790 45.955 0.835 19298 296 1 . 1 1 80 80 GLY H H 80 8.161 8.161 7.833 0.328 19298 297 1 . 1 1 81 81 ALA N N 81 124.650 124.650 125.103 -0.453 19298 298 1 . 1 1 81 81 ALA HA H 81 2.576 2.576 3.126 -0.550 19298 299 1 . 1 1 81 81 ALA C C 81 178.570 178.570 179.012 -0.442 19298 300 1 . 1 1 81 81 ALA CA C 81 54.220 54.220 54.764 -0.544 19298 301 1 . 1 1 81 81 ALA CB C 81 18.180 18.180 18.533 -0.353 19298 302 1 . 1 1 81 81 ALA H H 81 7.298 7.298 7.881 -0.583 19298 303 1 . 1 1 82 82 GLU N N 82 118.890 118.890 117.906 0.984 19298 304 1 . 1 1 82 82 GLU HA H 82 3.731 3.731 3.866 -0.135 19298 305 1 . 1 1 82 82 GLU C C 82 177.800 177.800 178.500 -0.700 19298 306 1 . 1 1 82 82 GLU CA C 82 59.560 59.560 59.137 0.423 19298 307 1 . 1 1 82 82 GLU CB C 82 29.860 29.860 29.235 0.625 19298 308 1 . 1 1 82 82 GLU H H 82 8.930 8.930 8.680 0.250 19298 309 1 . 1 1 83 83 ALA N N 83 119.410 119.410 121.852 -2.442 19298 310 1 . 1 1 83 83 ALA HA H 83 4.117 4.117 4.177 -0.060 19298 311 1 . 1 1 83 83 ALA C C 83 180.810 180.810 179.502 1.308 19298 312 1 . 1 1 83 83 ALA CA C 83 54.890 54.890 54.530 0.360 19298 313 1 . 1 1 83 83 ALA CB C 83 18.150 18.150 18.113 0.037 19298 314 1 . 1 1 83 83 ALA H H 83 7.572 7.572 7.527 0.045 19298 315 1 . 1 1 84 84 ALA N N 84 120.280 120.280 121.203 -0.923 19298 316 1 . 1 1 84 84 ALA HA H 84 3.140 3.140 4.303 -1.163 19298 317 1 . 1 1 84 84 ALA C C 84 178.010 178.010 179.399 -1.389 19298 318 1 . 1 1 84 84 ALA CA C 84 54.730 54.730 55.223 -0.493 19298 319 1 . 1 1 84 84 ALA CB C 84 18.710 18.710 18.366 0.344 19298 320 1 . 1 1 84 84 ALA H H 84 6.950 6.950 7.924 -0.975 19298 321 1 . 1 1 85 85 LYS N N 85 118.040 118.040 117.867 0.173 19298 322 1 . 1 1 85 85 LYS HA H 85 3.588 3.588 3.845 -0.257 19298 323 1 . 1 1 85 85 LYS C C 85 177.700 177.700 178.569 -0.869 19298 324 1 . 1 1 85 85 LYS CA C 85 59.560 59.560 59.289 0.271 19298 325 1 . 1 1 85 85 LYS CB C 85 32.090 32.090 31.812 0.278 19298 326 1 . 1 1 85 85 LYS H H 85 8.042 8.042 8.192 -0.150 19298 327 1 . 1 1 86 86 ASN N N 86 114.630 114.630 118.148 -3.518 19298 328 1 . 1 1 86 86 ASN HA H 86 4.473 4.473 4.515 -0.042 19298 329 1 . 1 1 86 86 ASN C C 86 177.320 177.320 176.617 0.703 19298 330 1 . 1 1 86 86 ASN CA C 86 55.070 55.070 55.624 -0.554 19298 331 1 . 1 1 86 86 ASN CB C 86 37.990 37.990 38.213 -0.223 19298 332 1 . 1 1 86 86 ASN H H 86 8.087 8.087 7.889 0.198 19298 333 1 . 1 1 87 87 ALA N N 87 120.200 120.200 121.150 -0.950 19298 334 1 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.235 0.072 19298 335 1 . 1 1 87 87 ALA C C 87 179.630 179.630 178.640 0.990 19298 336 1 . 1 1 87 87 ALA CA C 87 54.300 54.300 54.173 0.127 19298 337 1 . 1 1 87 87 ALA CB C 87 20.180 20.180 19.674 0.506 19298 338 1 . 1 1 87 87 ALA H H 87 7.557 7.557 7.554 0.003 19298 339 1 . 1 1 88 88 LEU N N 88 114.210 114.210 116.836 -2.626 19298 340 1 . 1 1 88 88 LEU HA H 88 4.413 4.413 4.418 -0.005 19298 341 1 . 1 1 88 88 LEU C C 88 176.580 176.580 176.497 0.083 19298 342 1 . 1 1 88 88 LEU CA C 88 54.410 54.410 54.448 -0.038 19298 343 1 . 1 1 88 88 LEU CB C 88 44.330 44.330 42.432 1.898 19298 344 1 . 1 1 88 88 LEU H H 88 7.561 7.561 7.951 -0.390 19298 345 1 . 1 1 89 89 ASN N N 89 117.970 117.970 117.699 0.271 19298 346 1 . 1 1 89 89 ASN HA H 89 4.256 4.256 4.564 -0.308 19298 347 1 . 1 1 89 89 ASN C C 89 177.700 177.700 176.390 1.310 19298 348 1 . 1 1 89 89 ASN CA C 89 55.990 55.990 53.714 2.276 19298 349 1 . 1 1 89 89 ASN CB C 89 38.570 38.570 38.175 0.395 19298 350 1 . 1 1 89 89 ASN H H 89 7.550 7.550 7.869 -0.319 19298 351 1 . 1 1 90 90 GLY N N 90 112.220 112.220 112.349 -0.129 19298 352 1 . 1 1 90 90 GLY C C 90 174.360 174.360 173.584 0.776 19298 353 1 . 1 1 90 90 GLY CA C 90 45.760 45.760 44.829 0.931 19298 354 1 . 1 1 90 90 GLY H H 90 8.734 8.734 9.032 -0.298 19298 355 1 . 1 1 91 91 ILE N N 91 115.840 115.840 121.488 -5.648 19298 356 1 . 1 1 91 91 ILE HA H 91 4.476 4.476 4.255 0.221 19298 357 1 . 1 1 91 91 ILE C C 91 175.940 175.940 174.515 1.425 19298 358 1 . 1 1 91 91 ILE CA C 91 60.520 60.520 59.763 0.756 19298 359 1 . 1 1 91 91 ILE CB C 91 39.020 39.020 39.768 -0.748 19298 360 1 . 1 1 91 91 ILE H H 91 7.518 7.518 7.410 0.108 19298 361 1 . 1 1 92 92 ARG N N 92 120.160 120.160 127.920 -7.760 19298 362 1 . 1 1 92 92 ARG HA H 92 4.477 4.477 4.298 0.179 19298 363 1 . 1 1 92 92 ARG C C 92 175.840 175.840 176.085 -0.245 19298 364 1 . 1 1 92 92 ARG CA C 92 56.660 56.660 56.711 -0.051 19298 365 1 . 1 1 92 92 ARG CB C 92 30.550 30.550 30.248 0.302 19298 366 1 . 1 1 92 92 ARG H H 92 8.461 8.461 8.749 -0.288 19298 367 1 . 1 1 93 93 PHE N N 93 126.780 126.780 126.046 0.734 19298 368 1 . 1 1 93 93 PHE HA H 93 4.057 4.057 4.290 -0.233 19298 369 1 . 1 1 93 93 PHE C C 93 171.620 171.620 175.333 -3.713 19298 370 1 . 1 1 93 93 PHE CA C 93 61.010 61.010 59.930 1.080 19298 371 1 . 1 1 93 93 PHE CB C 93 40.480 40.480 39.929 0.551 19298 372 1 . 1 1 93 93 PHE H H 93 8.443 8.443 8.696 -0.253 19298 373 1 . 1 1 94 94 ASP N N 94 110.650 110.650 116.624 -5.974 19298 374 1 . 1 1 94 94 ASP HA H 94 4.869 4.869 4.919 -0.050 19298 375 1 . 1 1 94 94 ASP CA C 94 48.530 48.530 51.884 -3.354 19298 376 1 . 1 1 94 94 ASP H H 94 7.860 7.860 7.820 0.040 19298 377 1 . 1 1 95 95 PRO HA H 95 3.847 3.847 4.314 -0.467 19298 378 1 . 1 1 95 95 PRO C C 95 177.650 177.650 177.166 0.484 19298 379 1 . 1 1 95 95 PRO CA C 95 63.290 63.290 64.498 -1.208 19298 380 1 . 1 1 95 95 PRO CB C 95 32.090 32.090 32.314 -0.224 19298 381 1 . 1 1 96 96 GLU N N 96 115.270 115.270 116.619 -1.349 19298 382 1 . 1 1 96 96 GLU HA H 96 4.225 4.225 4.273 -0.048 19298 383 1 . 1 1 96 96 GLU C C 96 175.310 175.310 176.326 -1.016 19298 384 1 . 1 1 96 96 GLU CA C 96 56.170 56.170 56.540 -0.370 19298 385 1 . 1 1 96 96 GLU CB C 96 30.000 30.000 29.742 0.257 19298 386 1 . 1 1 96 96 GLU H H 96 7.944 7.944 8.392 -0.448 19298 387 1 . 1 1 97 97 ASN N N 97 121.610 121.610 118.865 2.745 19298 388 1 . 1 1 97 97 ASN HA H 97 5.202 5.202 5.022 0.180 19298 389 1 . 1 1 97 97 ASN CA C 97 49.860 49.860 50.082 -0.222 19298 390 1 . 1 1 97 97 ASN H H 97 8.190 8.190 7.674 0.516 19298 391 1 . 1 1 98 98 PRO HA H 98 4.169 4.169 4.341 -0.172 19298 392 1 . 1 1 98 98 PRO C C 98 176.940 176.940 176.344 0.596 19298 393 1 . 1 1 98 98 PRO CA C 98 63.290 63.290 63.792 -0.502 19298 394 1 . 1 1 98 98 PRO CB C 98 32.210 32.210 31.893 0.317 19298 395 1 . 1 1 99 99 GLN N N 99 120.230 120.230 120.604 -0.374 19298 396 1 . 1 1 99 99 GLN HA H 99 4.183 4.183 4.278 -0.095 19298 397 1 . 1 1 99 99 GLN C C 99 176.660 176.660 174.927 1.733 19298 398 1 . 1 1 99 99 GLN CA C 99 57.080 57.080 55.673 1.407 19298 399 1 . 1 1 99 99 GLN CB C 99 28.990 28.990 29.012 -0.022 19298 400 1 . 1 1 99 99 GLN H H 99 8.174 8.174 7.964 0.210 19298 401 1 . 1 1 100 100 THR N N 100 117.080 117.080 115.742 1.338 19298 402 1 . 1 1 100 100 THR HA H 100 4.784 4.784 4.550 0.234 19298 403 1 . 1 1 100 100 THR C C 100 174.540 174.540 173.542 0.998 19298 404 1 . 1 1 100 100 THR CA C 100 59.870 59.870 59.854 0.016 19298 405 1 . 1 1 100 100 THR CB C 100 71.920 71.920 70.918 1.002 19298 406 1 . 1 1 100 100 THR H H 100 8.241 8.241 8.163 0.078 19298 407 1 . 1 1 101 101 LEU N N 101 120.720 120.720 125.358 -4.638 19298 408 1 . 1 1 101 101 LEU HA H 101 4.639 4.639 5.043 -0.404 19298 409 1 . 1 1 101 101 LEU C C 101 177.930 177.930 175.246 2.684 19298 410 1 . 1 1 101 101 LEU CA C 101 54.660 54.660 54.406 0.254 19298 411 1 . 1 1 101 101 LEU CB C 101 44.480 44.480 43.645 0.835 19298 412 1 . 1 1 101 101 LEU H H 101 8.809 8.809 9.175 -0.366 19298 413 1 . 1 1 102 102 ARG N N 102 124.040 124.040 125.371 -1.331 19298 414 1 . 1 1 102 102 ARG HA H 102 4.971 4.971 4.647 0.324 19298 415 1 . 1 1 102 102 ARG C C 102 174.500 174.500 173.654 0.846 19298 416 1 . 1 1 102 102 ARG CA C 102 54.710 54.710 54.444 0.266 19298 417 1 . 1 1 102 102 ARG CB C 102 32.000 32.000 32.546 -0.546 19298 418 1 . 1 1 102 102 ARG H H 102 8.327 8.327 8.964 -0.637 19298 419 1 . 1 1 103 103 LEU N N 103 125.780 125.780 127.361 -1.581 19298 420 1 . 1 1 103 103 LEU HA H 103 5.370 5.370 4.859 0.511 19298 421 1 . 1 1 103 103 LEU C C 103 174.660 174.660 175.778 -1.118 19298 422 1 . 1 1 103 103 LEU CA C 103 54.660 54.660 54.060 0.600 19298 423 1 . 1 1 103 103 LEU CB C 103 44.780 44.780 43.002 1.778 19298 424 1 . 1 1 103 103 LEU H H 103 8.825 8.825 8.586 0.239 19298 425 1 . 1 1 104 104 GLU N N 104 119.100 119.100 121.160 -2.060 19298 426 1 . 1 1 104 104 GLU HA H 104 4.509 4.509 4.320 0.189 19298 427 1 . 1 1 104 104 GLU C C 104 175.110 175.110 174.931 0.179 19298 428 1 . 1 1 104 104 GLU CA C 104 53.440 53.440 53.329 0.111 19298 429 1 . 1 1 104 104 GLU CB C 104 34.020 34.020 33.600 0.420 19298 430 1 . 1 1 104 104 GLU H H 104 8.348 8.348 7.901 0.447 19298 431 1 . 1 1 105 105 PHE N N 105 121.070 121.070 120.450 0.620 19298 432 1 . 1 1 105 105 PHE HA H 105 4.611 4.611 4.642 -0.031 19298 433 1 . 1 1 105 105 PHE C C 105 177.060 177.060 176.702 0.358 19298 434 1 . 1 1 105 105 PHE CA C 105 61.190 61.190 58.926 2.264 19298 435 1 . 1 1 105 105 PHE CB C 105 39.180 39.180 39.675 -0.495 19298 436 1 . 1 1 105 105 PHE H H 105 9.227 9.227 8.607 0.620 19298 437 1 . 1 1 106 106 ALA N N 106 124.890 124.890 127.604 -2.714 19298 438 1 . 1 1 106 106 ALA HA H 106 4.425 4.425 4.755 -0.330 19298 439 1 . 1 1 106 106 ALA C C 106 175.860 175.860 176.965 -1.105 19298 440 1 . 1 1 106 106 ALA CA C 106 51.280 51.280 52.076 -0.796 19298 441 1 . 1 1 106 106 ALA CB C 106 19.750 19.750 20.224 -0.474 19298 442 1 . 1 1 106 106 ALA H H 106 9.567 9.567 8.758 0.809 19298 443 1 . 1 1 107 107 LYS N N 107 117.510 117.510 120.289 -2.779 19298 444 1 . 1 1 107 107 LYS HA H 107 4.172 4.172 4.265 -0.093 19298 445 1 . 1 1 107 107 LYS C C 107 176.060 176.060 175.556 0.504 19298 446 1 . 1 1 107 107 LYS CA C 107 57.150 57.150 57.222 -0.072 19298 447 1 . 1 1 107 107 LYS CB C 107 32.500 32.500 32.505 -0.005 19298 448 1 . 1 1 107 107 LYS H H 107 8.581 8.581 8.599 -0.018 19298 449 1 . 1 1 108 108 ALA N N 108 118.700 118.700 121.263 -2.563 19298 450 1 . 1 1 108 108 ALA HA H 108 4.374 4.374 4.478 -0.104 19298 451 1 . 1 1 108 108 ALA C C 108 176.650 176.650 175.777 0.873 19298 452 1 . 1 1 108 108 ALA CA C 108 50.870 50.870 51.410 -0.540 19298 453 1 . 1 1 108 108 ALA CB C 108 21.520 21.520 20.933 0.587 19298 454 1 . 1 1 108 108 ALA H H 108 7.731 7.731 7.559 0.172 19298 455 1 . 1 1 109 109 ASN N N 109 116.530 116.530 121.482 -4.952 19298 456 1 . 1 1 109 109 ASN HA H 109 4.973 4.973 4.727 0.246 19298 457 1 . 1 1 109 109 ASN C C 109 175.940 175.940 174.836 1.104 19298 458 1 . 1 1 109 109 ASN CA C 109 53.130 53.130 53.235 -0.106 19298 459 1 . 1 1 109 109 ASN CB C 109 38.670 38.670 38.878 -0.208 19298 460 1 . 1 1 109 109 ASN H H 109 8.936 8.936 8.487 0.449 19298 461 1 . 1 1 110 110 THR N N 110 116.260 116.260 119.081 -2.821 19298 462 1 . 1 1 110 110 THR HA H 110 4.153 4.153 4.419 -0.266 19298 463 1 . 1 1 110 110 THR C C 110 173.240 173.240 173.567 -0.327 19298 464 1 . 1 1 110 110 THR CA C 110 61.990 61.990 61.189 0.801 19298 465 1 . 1 1 110 110 THR CB C 110 69.830 69.830 70.158 -0.328 19298 466 1 . 1 1 110 110 THR H H 110 7.437 7.437 8.651 -1.214 19298 467 1 . 1 1 111 111 LYS N N 111 124.500 124.500 126.443 -1.943 19298 468 1 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.412 -0.165 19298 469 1 . 1 1 111 111 LYS C C 111 176.140 176.140 176.183 -0.043 19298 470 1 . 1 1 111 111 LYS CA C 111 55.930 55.930 55.797 0.133 19298 471 1 . 1 1 111 111 LYS CB C 111 32.700 32.700 33.093 -0.392 19298 472 1 . 1 1 111 111 LYS H H 111 8.248 8.248 8.448 -0.200 19298 473 1 . 1 1 112 112 MET N N 112 122.000 122.000 121.789 0.211 19298 474 1 . 1 1 112 112 MET HA H 112 4.408 4.408 4.347 0.061 19298 475 1 . 1 1 112 112 MET C C 112 175.550 175.550 176.372 -0.822 19298 476 1 . 1 1 112 112 MET CA C 112 54.780 54.780 56.181 -1.401 19298 477 1 . 1 1 112 112 MET CB C 112 33.280 33.280 32.794 0.486 19298 478 1 . 1 1 112 112 MET H H 112 8.290 8.290 8.496 -0.206 19298 479 1 . 1 1 113 113 ALA N N 113 125.150 125.150 123.054 2.096 19298 480 1 . 1 1 113 113 ALA HA H 113 4.256 4.256 4.383 -0.127 19298 481 1 . 1 1 113 113 ALA C C 113 177.580 177.580 176.392 1.188 19298 482 1 . 1 1 113 113 ALA CA C 113 52.470 52.470 51.739 0.731 19298 483 1 . 1 1 113 113 ALA CB C 113 19.140 19.140 18.547 0.593 19298 484 1 . 1 1 113 113 ALA H H 113 8.213 8.213 7.982 0.231 19298 485 1 . 1 1 114 114 LYS N N 114 120.740 120.740 124.828 -4.088 19298 486 1 . 1 1 114 114 LYS HA H 114 4.256 4.256 4.334 -0.078 19298 487 1 . 1 1 114 114 LYS C C 114 176.790 176.790 175.790 1.000 19298 488 1 . 1 1 114 114 LYS CA C 114 56.340 56.340 56.109 0.231 19298 489 1 . 1 1 114 114 LYS CB C 114 32.870 32.870 33.043 -0.173 19298 490 1 . 1 1 114 114 LYS H H 114 8.261 8.261 8.329 -0.068 19298 491 1 . 1 1 115 115 SER N N 115 116.780 116.780 120.791 -4.011 19298 492 1 . 1 1 115 115 SER HA H 115 4.393 4.393 4.461 -0.068 19298 493 1 . 1 1 115 115 SER C C 115 174.710 174.710 174.031 0.679 19298 494 1 . 1 1 115 115 SER CA C 115 58.410 58.410 58.330 0.080 19298 495 1 . 1 1 115 115 SER CB C 115 63.870 63.870 63.489 0.381 19298 496 1 . 1 1 115 115 SER H H 115 8.268 8.268 8.589 -0.321 19298 497 1 . 1 1 116 116 LYS N N 116 123.210 123.210 126.043 -2.833 19298 498 1 . 1 1 116 116 LYS HA H 116 4.291 4.291 4.369 -0.078 19298 499 1 . 1 1 116 116 LYS C C 116 176.400 176.400 175.968 0.432 19298 500 1 . 1 1 116 116 LYS CA C 116 56.330 56.330 56.079 0.251 19298 501 1 . 1 1 116 116 LYS CB C 116 32.710 32.710 32.614 0.096 19298 502 1 . 1 1 116 116 LYS H H 116 8.346 8.346 8.412 -0.066 19298 503 1 . 1 1 117 117 LEU N N 117 122.470 122.470 124.312 -1.842 19298 504 1 . 1 1 117 117 LEU HA H 117 4.276 4.276 4.441 -0.165 19298 505 1 . 1 1 117 117 LEU C C 117 177.080 177.080 176.722 0.358 19298 506 1 . 1 1 117 117 LEU CA C 117 55.050 55.050 55.671 -0.621 19298 507 1 . 1 1 117 117 LEU CB C 117 42.210 42.210 42.500 -0.290 19298 508 1 . 1 1 117 117 LEU H H 117 8.093 8.093 8.435 -0.342 19298 stop_ save_