data_18329 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18329 _Entry.PDB_ID 2LQU 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 18329 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 25 125.000 125.000 127.177 -2.177 18329 2 1 1 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.355 0.015 18329 3 1 1 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.362 -0.062 18329 4 1 1 . 1 1 2 2 ALA CB C 25 19.700 19.700 17.799 1.901 18329 5 1 1 . 1 1 2 2 ALA H H 25 8.690 8.690 8.228 0.462 18329 6 1 1 . 1 1 3 3 GLY N N 26 106.920 106.920 108.905 -1.985 18329 7 1 1 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.554 -1.554 18329 8 1 1 . 1 1 3 3 GLY H H 26 7.940 7.940 7.951 -0.011 18329 9 1 1 . 1 1 4 4 LEU N N 27 119.140 119.140 123.819 -4.679 18329 10 1 1 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.451 -0.041 18329 11 1 1 . 1 1 4 4 LEU C C 27 177.100 177.100 175.851 1.249 18329 12 1 1 . 1 1 4 4 LEU CA C 27 54.400 54.400 55.321 -0.921 18329 13 1 1 . 1 1 4 4 LEU CB C 27 42.100 42.100 43.052 -0.952 18329 14 1 1 . 1 1 4 4 LEU H H 27 8.210 8.210 8.566 -0.356 18329 15 1 1 . 1 1 5 5 THR N N 28 112.940 112.940 111.330 1.610 18329 16 1 1 . 1 1 5 5 THR HA H 28 4.650 4.650 3.899 0.751 18329 17 1 1 . 1 1 5 5 THR C C 28 175.500 175.500 174.958 0.542 18329 18 1 1 . 1 1 5 5 THR CA C 28 60.100 60.100 62.654 -2.554 18329 19 1 1 . 1 1 5 5 THR CB C 28 72.600 72.600 68.273 4.327 18329 20 1 1 . 1 1 5 5 THR H H 28 9.220 9.220 7.971 1.249 18329 21 1 1 . 1 1 6 6 GLY N N 29 108.230 108.230 108.587 -0.357 18329 22 1 1 . 1 1 6 6 GLY C C 29 174.800 174.800 175.320 -0.520 18329 23 1 1 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.764 1.236 18329 24 1 1 . 1 1 6 6 GLY H H 29 8.520 8.520 8.580 -0.060 18329 25 1 1 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.300 -0.260 18329 26 1 1 . 1 1 7 7 ALA CA C 30 54.800 54.800 53.648 1.152 18329 27 1 1 . 1 1 7 7 ALA CB C 30 18.200 18.200 18.775 -0.575 18329 28 1 1 . 1 1 8 8 THR N N 31 116.970 116.970 115.588 1.382 18329 29 1 1 . 1 1 8 8 THR HA H 31 3.740 3.740 3.850 -0.110 18329 30 1 1 . 1 1 8 8 THR C C 31 175.300 175.300 176.526 -1.226 18329 31 1 1 . 1 1 8 8 THR CA C 31 67.000 67.000 66.380 0.620 18329 32 1 1 . 1 1 8 8 THR CB C 31 68.700 68.700 68.557 0.143 18329 33 1 1 . 1 1 8 8 THR H H 31 8.110 8.110 8.158 -0.048 18329 34 1 1 . 1 1 9 9 LYS N N 32 120.540 120.540 121.725 -1.185 18329 35 1 1 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.071 -0.481 18329 36 1 1 . 1 1 9 9 LYS C C 32 176.900 176.900 178.432 -1.532 18329 37 1 1 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.185 0.615 18329 38 1 1 . 1 1 9 9 LYS CB C 32 32.400 32.400 32.003 0.397 18329 39 1 1 . 1 1 9 9 LYS H H 32 6.860 6.860 7.598 -0.738 18329 40 1 1 . 1 1 10 10 ILE N N 33 115.940 115.940 115.654 0.286 18329 41 1 1 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.809 -0.099 18329 42 1 1 . 1 1 10 10 ILE C C 33 179.000 179.000 177.798 1.202 18329 43 1 1 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.361 -0.361 18329 44 1 1 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.404 0.596 18329 45 1 1 . 1 1 10 10 ILE H H 33 7.380 7.380 7.955 -0.575 18329 46 1 1 . 1 1 11 11 ARG N N 34 118.350 118.350 121.201 -2.851 18329 47 1 1 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.065 -0.025 18329 48 1 1 . 1 1 11 11 ARG C C 34 180.000 180.000 178.809 1.191 18329 49 1 1 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.704 -0.304 18329 50 1 1 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.255 0.045 18329 51 1 1 . 1 1 11 11 ARG H H 34 8.250 8.250 8.015 0.235 18329 52 1 1 . 1 1 12 12 LEU N N 35 117.420 117.420 119.046 -1.626 18329 53 1 1 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.066 0.104 18329 54 1 1 . 1 1 12 12 LEU C C 35 179.000 179.000 179.065 -0.065 18329 55 1 1 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.591 0.409 18329 56 1 1 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.785 -0.985 18329 57 1 1 . 1 1 12 12 LEU H H 35 8.340 8.340 7.817 0.523 18329 58 1 1 . 1 1 13 13 GLU N N 36 117.890 117.890 120.140 -2.250 18329 59 1 1 . 1 1 13 13 GLU HA H 36 4.020 4.020 4.056 -0.036 18329 60 1 1 . 1 1 13 13 GLU C C 36 180.100 180.100 179.054 1.046 18329 61 1 1 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.633 0.567 18329 62 1 1 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.312 -1.012 18329 63 1 1 . 1 1 13 13 GLU H H 36 8.610 8.610 7.965 0.645 18329 64 1 1 . 1 1 14 14 ARG N N 37 121.100 121.100 118.107 2.993 18329 65 1 1 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.070 0.170 18329 66 1 1 . 1 1 14 14 ARG C C 37 178.100 178.100 178.874 -0.774 18329 67 1 1 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.503 -1.003 18329 68 1 1 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.256 -0.056 18329 69 1 1 . 1 1 14 14 ARG H H 37 7.980 7.980 7.969 0.011 18329 70 1 1 . 1 1 15 15 SER N N 38 115.420 115.420 114.027 1.393 18329 71 1 1 . 1 1 15 15 SER HA H 38 4.380 4.380 4.594 -0.214 18329 72 1 1 . 1 1 15 15 SER C C 38 177.300 177.300 175.631 1.669 18329 73 1 1 . 1 1 15 15 SER CA C 38 62.200 62.200 60.639 1.561 18329 74 1 1 . 1 1 15 15 SER CB C 38 63.200 63.200 63.220 -0.020 18329 75 1 1 . 1 1 15 15 SER H H 38 8.230 8.230 7.947 0.283 18329 76 1 1 . 1 1 16 16 ALA N N 39 123.970 123.970 123.596 0.374 18329 77 1 1 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.244 -0.614 18329 78 1 1 . 1 1 16 16 ALA C C 39 179.500 179.500 179.862 -0.362 18329 79 1 1 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.556 0.144 18329 80 1 1 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.788 -0.788 18329 81 1 1 . 1 1 16 16 ALA H H 39 8.280 8.280 7.912 0.368 18329 82 1 1 . 1 1 17 17 LYS N N 40 121.690 121.690 119.779 1.911 18329 83 1 1 . 1 1 17 17 LYS HA H 40 4.090 4.090 3.980 0.110 18329 84 1 1 . 1 1 17 17 LYS C C 40 178.000 178.000 178.229 -0.229 18329 85 1 1 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.753 -1.353 18329 86 1 1 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.153 -0.353 18329 87 1 1 . 1 1 17 17 LYS H H 40 7.930 7.930 7.832 0.098 18329 88 1 1 . 1 1 18 18 ASP N N 41 118.730 118.730 118.026 0.704 18329 89 1 1 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.456 -0.096 18329 90 1 1 . 1 1 18 18 ASP C C 41 179.900 179.900 178.544 1.356 18329 91 1 1 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.733 0.967 18329 92 1 1 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.203 -0.603 18329 93 1 1 . 1 1 18 18 ASP H H 41 8.320 8.320 7.721 0.599 18329 94 1 1 . 1 1 19 19 ILE N N 42 118.180 118.180 119.118 -0.938 18329 95 1 1 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.752 -0.062 18329 96 1 1 . 1 1 19 19 ILE C C 42 177.400 177.400 177.804 -0.404 18329 97 1 1 . 1 1 19 19 ILE CA C 42 65.200 65.200 64.826 0.374 18329 98 1 1 . 1 1 19 19 ILE CB C 42 37.900 37.900 36.812 1.088 18329 99 1 1 . 1 1 19 19 ILE H H 42 7.420 7.420 7.894 -0.474 18329 100 1 1 . 1 1 20 20 THR N N 43 113.360 113.360 111.472 1.888 18329 101 1 1 . 1 1 20 20 THR HA H 43 3.770 3.770 4.052 -0.282 18329 102 1 1 . 1 1 20 20 THR C C 43 177.800 177.800 176.634 1.166 18329 103 1 1 . 1 1 20 20 THR CA C 43 66.400 66.400 65.350 1.050 18329 104 1 1 . 1 1 20 20 THR CB C 43 67.400 67.400 68.731 -1.331 18329 105 1 1 . 1 1 20 20 THR H H 43 7.610 7.610 7.472 0.138 18329 106 1 1 . 1 1 21 21 ASP N N 44 123.650 123.650 121.719 1.931 18329 107 1 1 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.434 -0.024 18329 108 1 1 . 1 1 21 21 ASP C C 44 179.200 179.200 178.655 0.545 18329 109 1 1 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.156 0.044 18329 110 1 1 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.156 -0.556 18329 111 1 1 . 1 1 21 21 ASP H H 44 9.260 9.260 8.322 0.938 18329 112 1 1 . 1 1 22 22 GLU N N 45 123.560 123.560 118.982 4.578 18329 113 1 1 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.186 0.184 18329 114 1 1 . 1 1 22 22 GLU C C 45 178.500 178.500 179.471 -0.971 18329 115 1 1 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.759 -0.559 18329 116 1 1 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.737 -0.537 18329 117 1 1 . 1 1 22 22 GLU H H 45 7.750 7.750 7.806 -0.056 18329 118 1 1 . 1 1 23 23 ILE N N 46 119.940 119.940 115.971 3.969 18329 119 1 1 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.714 -0.094 18329 120 1 1 . 1 1 23 23 ILE C C 46 177.600 177.600 177.378 0.222 18329 121 1 1 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.466 1.133 18329 122 1 1 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.269 -0.269 18329 123 1 1 . 1 1 23 23 ILE H H 46 8.360 8.360 7.333 1.027 18329 124 1 1 . 1 1 24 24 ASP N N 47 120.730 120.730 120.848 -0.118 18329 125 1 1 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.410 -0.010 18329 126 1 1 . 1 1 24 24 ASP C C 47 178.900 178.900 178.179 0.721 18329 127 1 1 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.102 0.398 18329 128 1 1 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.177 -0.277 18329 129 1 1 . 1 1 24 24 ASP H H 47 8.280 8.280 8.108 0.172 18329 130 1 1 . 1 1 25 25 ALA N N 48 123.870 123.870 121.759 2.111 18329 131 1 1 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.070 0.050 18329 132 1 1 . 1 1 25 25 ALA C C 48 180.400 180.400 179.454 0.946 18329 133 1 1 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.767 0.733 18329 134 1 1 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.215 -0.415 18329 135 1 1 . 1 1 25 25 ALA H H 48 7.880 7.880 7.628 0.252 18329 136 1 1 . 1 1 26 26 ILE N N 49 121.970 121.970 117.977 3.993 18329 137 1 1 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.606 0.124 18329 138 1 1 . 1 1 26 26 ILE C C 49 178.400 178.400 177.887 0.513 18329 139 1 1 . 1 1 26 26 ILE CA C 49 65.900 65.900 65.050 0.850 18329 140 1 1 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.687 -0.187 18329 141 1 1 . 1 1 26 26 ILE H H 49 8.710 8.710 7.448 1.262 18329 142 1 1 . 1 1 27 27 LYS N N 50 119.820 119.820 119.950 -0.130 18329 143 1 1 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.618 0.262 18329 144 1 1 . 1 1 27 27 LYS C C 50 179.900 179.900 179.138 0.762 18329 145 1 1 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.389 1.011 18329 146 1 1 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.881 0.019 18329 147 1 1 . 1 1 27 27 LYS H H 50 8.540 8.540 7.701 0.839 18329 148 1 1 . 1 1 28 28 LYS N N 51 121.960 121.960 118.276 3.684 18329 149 1 1 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.009 0.081 18329 150 1 1 . 1 1 28 28 LYS C C 51 179.200 179.200 179.111 0.089 18329 151 1 1 . 1 1 28 28 LYS CA C 51 59.300 59.300 58.664 0.636 18329 152 1 1 . 1 1 28 28 LYS CB C 51 31.400 31.400 31.944 -0.544 18329 153 1 1 . 1 1 28 28 LYS H H 51 8.070 8.070 7.355 0.715 18329 154 1 1 . 1 1 29 29 ASP N N 52 121.710 121.710 119.074 2.636 18329 155 1 1 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.468 0.002 18329 156 1 1 . 1 1 29 29 ASP C C 52 178.500 178.500 178.736 -0.236 18329 157 1 1 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.713 0.287 18329 158 1 1 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.970 0.030 18329 159 1 1 . 1 1 29 29 ASP H H 52 8.340 8.340 7.934 0.406 18329 160 1 1 . 1 1 30 30 ALA N N 53 121.990 121.990 121.754 0.236 18329 161 1 1 . 1 1 30 30 ALA HA H 53 3.340 3.340 3.845 -0.505 18329 162 1 1 . 1 1 30 30 ALA C C 53 179.500 179.500 179.255 0.245 18329 163 1 1 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.482 0.618 18329 164 1 1 . 1 1 30 30 ALA CB C 53 18.100 18.100 17.848 0.252 18329 165 1 1 . 1 1 30 30 ALA H H 53 8.800 8.800 8.202 0.598 18329 166 1 1 . 1 1 31 31 ALA N N 54 119.970 119.970 120.773 -0.803 18329 167 1 1 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.002 0.148 18329 168 1 1 . 1 1 31 31 ALA C C 54 181.600 181.600 178.788 2.812 18329 169 1 1 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.245 0.455 18329 170 1 1 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.376 -0.576 18329 171 1 1 . 1 1 31 31 ALA H H 54 7.730 7.730 7.322 0.408 18329 172 1 1 . 1 1 32 32 LEU N N 55 119.660 119.660 117.666 1.994 18329 173 1 1 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.040 0.100 18329 174 1 1 . 1 1 32 32 LEU C C 55 179.100 179.100 177.301 1.799 18329 175 1 1 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.898 0.102 18329 176 1 1 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.920 -0.020 18329 177 1 1 . 1 1 32 32 LEU H H 55 7.660 7.660 7.342 0.318 18329 178 1 1 . 1 1 33 33 LYS N N 56 117.160 117.160 118.015 -0.855 18329 179 1 1 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.404 -0.194 18329 180 1 1 . 1 1 33 33 LYS C C 56 176.600 176.600 175.906 0.694 18329 181 1 1 . 1 1 33 33 LYS CA C 56 56.100 56.100 54.972 1.128 18329 182 1 1 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.930 -0.730 18329 183 1 1 . 1 1 33 33 LYS H H 56 7.610 7.610 7.278 0.332 18329 184 1 1 . 1 1 34 34 GLY N N 57 108.680 108.680 110.331 -1.651 18329 185 1 1 . 1 1 34 34 GLY C C 57 174.400 174.400 173.896 0.504 18329 186 1 1 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.250 0.950 18329 187 1 1 . 1 1 34 34 GLY H H 57 7.710 7.710 8.470 -0.760 18329 188 1 1 . 1 1 35 35 VAL N N 58 121.000 121.000 124.280 -3.280 18329 189 1 1 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.332 -0.432 18329 190 1 1 . 1 1 35 35 VAL C C 58 174.200 174.200 175.291 -1.091 18329 191 1 1 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.538 0.962 18329 192 1 1 . 1 1 35 35 VAL CB C 58 32.800 32.800 34.507 -1.707 18329 193 1 1 . 1 1 35 35 VAL H H 58 7.990 7.990 7.494 0.496 18329 194 1 1 . 1 1 36 36 ASN N N 59 124.960 124.960 124.969 -0.009 18329 195 1 1 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.574 0.096 18329 196 1 1 . 1 1 36 36 ASN C C 59 175.700 175.700 176.053 -0.353 18329 197 1 1 . 1 1 36 36 ASN CA C 59 51.600 51.600 54.333 -2.733 18329 198 1 1 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.808 0.292 18329 199 1 1 . 1 1 36 36 ASN H H 59 8.460 8.460 8.504 -0.044 18329 200 1 1 . 1 1 37 37 PHE N N 60 124.460 124.460 121.075 3.385 18329 201 1 1 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.233 -0.093 18329 202 1 1 . 1 1 37 37 PHE C C 60 177.000 177.000 173.635 3.365 18329 203 1 1 . 1 1 37 37 PHE CA C 60 60.400 60.400 59.391 1.009 18329 204 1 1 . 1 1 37 37 PHE CB C 60 39.200 39.200 37.891 1.309 18329 205 1 1 . 1 1 37 37 PHE H H 60 8.780 8.780 8.229 0.551 18329 206 1 1 . 1 1 38 38 ASP N N 61 119.270 119.270 119.805 -0.535 18329 207 1 1 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.315 0.175 18329 208 1 1 . 1 1 38 38 ASP C C 61 177.000 177.000 174.498 2.502 18329 209 1 1 . 1 1 38 38 ASP CA C 61 55.500 55.500 54.431 1.069 18329 210 1 1 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.988 -0.988 18329 211 1 1 . 1 1 38 38 ASP H H 61 8.400 8.400 7.666 0.734 18329 212 1 1 . 1 1 39 39 ALA N N 62 122.020 122.020 121.846 0.174 18329 213 1 1 . 1 1 39 39 ALA HA H 62 4.200 4.200 3.933 0.267 18329 214 1 1 . 1 1 39 39 ALA C C 62 178.300 178.300 177.125 1.175 18329 215 1 1 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.737 0.163 18329 216 1 1 . 1 1 39 39 ALA CB C 62 18.500 18.500 17.402 1.098 18329 217 1 1 . 1 1 39 39 ALA H H 62 7.740 7.740 8.151 -0.411 18329 218 1 1 . 1 1 40 40 PHE N N 63 116.940 116.940 116.250 0.690 18329 219 1 1 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.382 -0.002 18329 220 1 1 . 1 1 40 40 PHE C C 63 176.100 176.100 175.492 0.608 18329 221 1 1 . 1 1 40 40 PHE CA C 63 58.300 58.300 57.298 1.002 18329 222 1 1 . 1 1 40 40 PHE CB C 63 38.800 38.800 38.925 -0.125 18329 223 1 1 . 1 1 40 40 PHE H H 63 7.730 7.730 7.809 -0.079 18329 224 1 1 . 1 1 41 41 LYS N N 64 119.840 119.840 121.274 -1.434 18329 225 1 1 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.186 0.034 18329 226 1 1 . 1 1 41 41 LYS C C 64 176.100 176.100 176.935 -0.835 18329 227 1 1 . 1 1 41 41 LYS CA C 64 56.600 56.600 57.067 -0.467 18329 228 1 1 . 1 1 41 41 LYS CB C 64 32.900 32.900 32.515 0.385 18329 229 1 1 . 1 1 41 41 LYS H H 64 7.650 7.650 7.524 0.126 18329 230 1 1 . 1 1 42 42 ASP N N 65 120.770 120.770 122.429 -1.659 18329 231 1 1 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.231 0.339 18329 232 1 1 . 1 1 42 42 ASP C C 65 176.100 176.100 175.871 0.229 18329 233 1 1 . 1 1 42 42 ASP CA C 65 54.200 54.200 56.435 -2.235 18329 234 1 1 . 1 1 42 42 ASP CB C 65 40.900 40.900 40.959 -0.058 18329 235 1 1 . 1 1 42 42 ASP H H 65 8.030 8.030 8.768 -0.738 18329 236 1 1 . 1 1 43 43 LYS N N 66 122.070 122.070 121.511 0.559 18329 237 1 1 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.525 -0.245 18329 238 1 1 . 1 1 43 43 LYS C C 66 176.800 176.800 175.353 1.447 18329 239 1 1 . 1 1 43 43 LYS CA C 66 56.500 56.500 55.694 0.806 18329 240 1 1 . 1 1 43 43 LYS CB C 66 32.800 32.800 34.931 -2.131 18329 241 1 1 . 1 1 43 43 LYS H H 66 8.180 8.180 8.254 -0.074 18329 242 1 1 . 1 1 44 44 LYS N N 67 122.170 122.170 123.654 -1.484 18329 243 1 1 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.413 -0.063 18329 244 1 1 . 1 1 44 44 LYS C C 67 177.000 177.000 176.059 0.941 18329 245 1 1 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.278 0.322 18329 246 1 1 . 1 1 44 44 LYS CB C 67 32.800 32.800 33.062 -0.262 18329 247 1 1 . 1 1 44 44 LYS H H 67 8.460 8.460 8.345 0.115 18329 248 1 1 . 1 1 45 45 THR N N 68 114.390 114.390 116.617 -2.227 18329 249 1 1 . 1 1 45 45 THR HA H 68 4.330 4.330 4.560 -0.230 18329 250 1 1 . 1 1 45 45 THR C C 68 175.200 175.200 174.362 0.838 18329 251 1 1 . 1 1 45 45 THR CA C 68 62.000 62.000 62.053 -0.053 18329 252 1 1 . 1 1 45 45 THR CB C 68 69.900 69.900 70.398 -0.498 18329 253 1 1 . 1 1 45 45 THR H H 68 8.120 8.120 8.078 0.042 18329 254 1 1 . 1 1 46 46 GLY N N 69 111.200 111.200 113.386 -2.186 18329 255 1 1 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.312 -0.112 18329 256 1 1 . 1 1 46 46 GLY H H 69 8.450 8.450 8.167 0.283 18329 257 1 1 . 1 1 47 47 SER CA C 70 58.400 58.400 59.193 -0.793 18329 258 1 1 . 1 1 47 47 SER CB C 70 64.000 64.000 62.670 1.330 18329 259 1 1 . 1 1 48 48 GLY N N 71 111.200 111.200 110.710 0.490 18329 260 1 1 . 1 1 48 48 GLY CA C 71 45.000 45.000 45.578 -0.578 18329 261 1 1 . 1 1 48 48 GLY H H 71 8.580 8.580 8.666 -0.086 18329 262 1 1 . 1 1 49 49 VAL N N 72 118.910 118.910 122.267 -3.357 18329 263 1 1 . 1 1 49 49 VAL HA H 72 4.130 4.130 3.942 0.188 18329 264 1 1 . 1 1 49 49 VAL C C 72 176.100 176.100 177.389 -1.289 18329 265 1 1 . 1 1 49 49 VAL CA C 72 62.100 62.100 63.468 -1.369 18329 266 1 1 . 1 1 49 49 VAL CB C 72 32.500 32.500 31.682 0.818 18329 267 1 1 . 1 1 49 49 VAL H H 72 7.860 7.860 8.239 -0.379 18329 268 1 1 . 1 1 50 50 SER N N 73 118.500 118.500 121.152 -2.652 18329 269 1 1 . 1 1 50 50 SER C C 73 176.100 176.100 175.017 1.083 18329 270 1 1 . 1 1 50 50 SER CA C 73 58.300 58.300 61.155 -2.855 18329 271 1 1 . 1 1 50 50 SER CB C 73 63.800 63.800 61.919 1.881 18329 272 1 1 . 1 1 50 50 SER H H 73 8.300 8.300 8.913 -0.613 18329 273 1 1 . 1 1 51 51 GLU N N 74 122.560 122.560 125.808 -3.248 18329 274 1 1 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.238 0.032 18329 275 1 1 . 1 1 51 51 GLU CA C 74 55.700 55.700 55.116 0.584 18329 276 1 1 . 1 1 51 51 GLU CB C 74 30.500 30.500 28.836 1.664 18329 277 1 1 . 1 1 51 51 GLU H H 74 8.360 8.360 8.220 0.140 18329 278 1 1 . 1 1 52 52 ASN N N 75 122.830 122.830 124.680 -1.850 18329 279 1 1 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.514 0.306 18329 280 1 1 . 1 1 52 52 ASN C C 75 174.800 174.800 174.720 0.080 18329 281 1 1 . 1 1 52 52 ASN CA C 75 51.400 51.400 52.627 -1.227 18329 282 1 1 . 1 1 52 52 ASN CB C 75 39.200 39.200 37.832 1.368 18329 283 1 1 . 1 1 52 52 ASN H H 75 8.450 8.450 8.093 0.357 18329 284 1 1 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.200 -0.020 18329 285 1 1 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.331 0.869 18329 286 1 1 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.422 0.578 18329 287 1 1 . 1 1 54 54 PHE N N 77 118.060 118.060 119.211 -1.151 18329 288 1 1 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.260 0.010 18329 289 1 1 . 1 1 54 54 PHE C C 77 177.500 177.500 177.030 0.470 18329 290 1 1 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.333 0.167 18329 291 1 1 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.023 0.377 18329 292 1 1 . 1 1 54 54 PHE H H 77 8.430 8.430 7.884 0.546 18329 293 1 1 . 1 1 55 55 ILE N N 78 119.350 119.350 118.859 0.491 18329 294 1 1 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.697 -0.197 18329 295 1 1 . 1 1 55 55 ILE C C 78 177.400 177.400 177.735 -0.335 18329 296 1 1 . 1 1 55 55 ILE CA C 78 63.500 63.500 65.377 -1.877 18329 297 1 1 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.564 -0.564 18329 298 1 1 . 1 1 55 55 ILE H H 78 7.540 7.540 7.833 -0.293 18329 299 1 1 . 1 1 56 56 LEU N N 79 118.450 118.450 120.350 -1.900 18329 300 1 1 . 1 1 56 56 LEU HA H 79 4.150 4.150 3.957 0.193 18329 301 1 1 . 1 1 56 56 LEU C C 79 179.200 179.200 179.346 -0.146 18329 302 1 1 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.461 -0.661 18329 303 1 1 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.385 -0.285 18329 304 1 1 . 1 1 56 56 LEU H H 79 7.260 7.260 8.058 -0.798 18329 305 1 1 . 1 1 57 57 GLU N N 80 117.980 117.980 117.691 0.289 18329 306 1 1 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.823 -0.173 18329 307 1 1 . 1 1 57 57 GLU C C 80 178.700 178.700 179.000 -0.300 18329 308 1 1 . 1 1 57 57 GLU CA C 80 59.300 59.300 59.240 0.059 18329 309 1 1 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.462 0.038 18329 310 1 1 . 1 1 57 57 GLU H H 80 7.890 7.890 8.333 -0.443 18329 311 1 1 . 1 1 58 58 ALA N N 81 122.040 122.040 122.432 -0.392 18329 312 1 1 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.919 -0.119 18329 313 1 1 . 1 1 58 58 ALA C C 81 179.500 179.500 179.034 0.466 18329 314 1 1 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.871 0.329 18329 315 1 1 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.041 0.758 18329 316 1 1 . 1 1 58 58 ALA H H 81 8.400 8.400 8.117 0.283 18329 317 1 1 . 1 1 59 59 LYS N N 82 116.000 116.000 117.826 -1.826 18329 318 1 1 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.034 -0.184 18329 319 1 1 . 1 1 59 59 LYS C C 82 180.300 180.300 178.803 1.497 18329 320 1 1 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.286 1.814 18329 321 1 1 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.469 -0.269 18329 322 1 1 . 1 1 59 59 LYS H H 82 8.000 8.000 8.255 -0.255 18329 323 1 1 . 1 1 60 60 VAL N N 83 122.920 122.920 118.770 4.150 18329 324 1 1 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.838 -0.508 18329 325 1 1 . 1 1 60 60 VAL C C 83 178.300 178.300 178.028 0.272 18329 326 1 1 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.526 2.374 18329 327 1 1 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.976 -0.776 18329 328 1 1 . 1 1 60 60 VAL H H 83 8.110 8.110 7.475 0.635 18329 329 1 1 . 1 1 61 61 ARG N N 84 121.770 121.770 119.730 2.040 18329 330 1 1 . 1 1 61 61 ARG C C 84 179.500 179.500 178.641 0.859 18329 331 1 1 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.276 -0.076 18329 332 1 1 . 1 1 61 61 ARG CB C 84 30.800 30.800 30.049 0.751 18329 333 1 1 . 1 1 61 61 ARG H H 84 8.710 8.710 7.326 1.384 18329 334 1 1 . 1 1 62 62 ALA N N 85 119.450 119.450 120.615 -1.165 18329 335 1 1 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.120 -0.230 18329 336 1 1 . 1 1 62 62 ALA C C 85 179.500 179.500 178.856 0.644 18329 337 1 1 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.276 -0.277 18329 338 1 1 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.630 0.370 18329 339 1 1 . 1 1 62 62 ALA H H 85 8.700 8.700 8.350 0.350 18329 340 1 1 . 1 1 63 63 THR N N 86 106.650 106.650 110.313 -3.663 18329 341 1 1 . 1 1 63 63 THR HA H 86 3.970 3.970 4.164 -0.194 18329 342 1 1 . 1 1 63 63 THR C C 86 177.700 177.700 176.432 1.268 18329 343 1 1 . 1 1 63 63 THR CA C 86 66.000 66.000 65.320 0.679 18329 344 1 1 . 1 1 63 63 THR CB C 86 68.200 68.200 68.353 -0.153 18329 345 1 1 . 1 1 63 63 THR H H 86 8.150 8.150 7.657 0.492 18329 346 1 1 . 1 1 64 64 THR N N 87 120.430 120.430 119.625 0.805 18329 347 1 1 . 1 1 64 64 THR HA H 87 4.050 4.050 3.999 0.051 18329 348 1 1 . 1 1 64 64 THR C C 87 176.800 176.800 176.206 0.594 18329 349 1 1 . 1 1 64 64 THR CA C 87 67.300 67.300 67.294 0.006 18329 350 1 1 . 1 1 64 64 THR CB C 87 68.600 68.600 68.135 0.465 18329 351 1 1 . 1 1 64 64 THR H H 87 7.920 7.920 7.731 0.189 18329 352 1 1 . 1 1 65 65 VAL N N 88 119.230 119.230 120.368 -1.138 18329 353 1 1 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.846 0.134 18329 354 1 1 . 1 1 65 65 VAL C C 88 178.500 178.500 177.035 1.465 18329 355 1 1 . 1 1 65 65 VAL CA C 88 65.600 65.600 64.827 0.773 18329 356 1 1 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.142 0.558 18329 357 1 1 . 1 1 65 65 VAL H H 88 7.380 7.380 7.454 -0.074 18329 358 1 1 . 1 1 66 66 ALA N N 89 124.260 124.260 122.296 1.964 18329 359 1 1 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.930 0.320 18329 360 1 1 . 1 1 66 66 ALA C C 89 179.900 179.900 179.127 0.773 18329 361 1 1 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.119 -0.219 18329 362 1 1 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.192 1.308 18329 363 1 1 . 1 1 66 66 ALA H H 89 8.390 8.390 7.557 0.833 18329 364 1 1 . 1 1 67 67 GLU N N 90 120.180 120.180 118.880 1.300 18329 365 1 1 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.989 -0.269 18329 366 1 1 . 1 1 67 67 GLU C C 90 177.600 177.600 178.940 -1.340 18329 367 1 1 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.424 0.476 18329 368 1 1 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.349 -1.049 18329 369 1 1 . 1 1 67 67 GLU H H 90 8.520 8.520 8.267 0.253 18329 370 1 1 . 1 1 68 68 LYS N N 91 116.340 116.340 118.344 -2.004 18329 371 1 1 . 1 1 68 68 LYS HA H 91 3.960 3.960 3.982 -0.022 18329 372 1 1 . 1 1 68 68 LYS C C 91 179.200 179.200 178.999 0.201 18329 373 1 1 . 1 1 68 68 LYS CA C 91 59.800 59.800 59.242 0.558 18329 374 1 1 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.237 -0.237 18329 375 1 1 . 1 1 68 68 LYS H H 91 7.210 7.210 7.510 -0.300 18329 376 1 1 . 1 1 69 69 PHE N N 92 120.990 120.990 119.165 1.825 18329 377 1 1 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.213 0.297 18329 378 1 1 . 1 1 69 69 PHE C C 92 175.100 175.100 177.423 -2.323 18329 379 1 1 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.355 -1.555 18329 380 1 1 . 1 1 69 69 PHE CB C 92 39.200 39.200 38.900 0.300 18329 381 1 1 . 1 1 69 69 PHE H H 92 7.180 7.180 7.522 -0.342 18329 382 1 1 . 1 1 70 70 VAL N N 93 120.330 120.330 119.263 1.067 18329 383 1 1 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.636 -0.546 18329 384 1 1 . 1 1 70 70 VAL C C 93 177.500 177.500 177.794 -0.294 18329 385 1 1 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.810 0.090 18329 386 1 1 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.403 -0.003 18329 387 1 1 . 1 1 70 70 VAL H H 93 7.930 7.930 7.619 0.311 18329 388 1 1 . 1 1 71 71 ILE N N 94 120.410 120.410 119.062 1.348 18329 389 1 1 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.576 0.254 18329 390 1 1 . 1 1 71 71 ILE C C 94 177.700 177.700 177.392 0.308 18329 391 1 1 . 1 1 71 71 ILE CA C 94 65.000 65.000 65.222 -0.221 18329 392 1 1 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.009 0.291 18329 393 1 1 . 1 1 71 71 ILE H H 94 8.180 8.180 7.415 0.765 18329 394 1 1 . 1 1 72 72 ALA N N 95 122.440 122.440 122.387 0.053 18329 395 1 1 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.898 0.062 18329 396 1 1 . 1 1 72 72 ALA C C 95 179.600 179.600 179.569 0.031 18329 397 1 1 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.066 0.834 18329 398 1 1 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.858 -0.657 18329 399 1 1 . 1 1 72 72 ALA H H 95 7.340 7.340 7.433 -0.093 18329 400 1 1 . 1 1 73 73 ILE N N 96 119.330 119.330 119.961 -0.631 18329 401 1 1 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.641 -0.201 18329 402 1 1 . 1 1 73 73 ILE C C 96 177.400 177.400 177.905 -0.505 18329 403 1 1 . 1 1 73 73 ILE CA C 96 62.800 62.800 64.406 -1.606 18329 404 1 1 . 1 1 73 73 ILE CB C 96 34.400 34.400 37.357 -2.957 18329 405 1 1 . 1 1 73 73 ILE H H 96 7.820 7.820 7.485 0.335 18329 406 1 1 . 1 1 74 74 GLU N N 97 118.440 118.440 120.543 -2.103 18329 407 1 1 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.891 -0.201 18329 408 1 1 . 1 1 74 74 GLU C C 97 180.500 180.500 178.890 1.610 18329 409 1 1 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.617 0.083 18329 410 1 1 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.288 0.412 18329 411 1 1 . 1 1 74 74 GLU H H 97 8.380 8.380 7.585 0.795 18329 412 1 1 . 1 1 75 75 GLU N N 98 120.470 120.470 119.800 0.670 18329 413 1 1 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.045 -0.105 18329 414 1 1 . 1 1 75 75 GLU C C 98 180.600 180.600 178.755 1.845 18329 415 1 1 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.163 0.537 18329 416 1 1 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.757 0.443 18329 417 1 1 . 1 1 75 75 GLU H H 98 8.800 8.800 8.293 0.507 18329 418 1 1 . 1 1 76 76 GLU N N 99 119.230 119.230 119.632 -0.402 18329 419 1 1 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.064 0.076 18329 420 1 1 . 1 1 76 76 GLU C C 99 178.900 178.900 178.684 0.216 18329 421 1 1 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.862 -0.262 18329 422 1 1 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.635 -0.335 18329 423 1 1 . 1 1 76 76 GLU H H 99 8.840 8.840 8.454 0.386 18329 424 1 1 . 1 1 77 77 ALA N N 100 121.950 121.950 121.746 0.204 18329 425 1 1 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.163 -0.163 18329 426 1 1 . 1 1 77 77 ALA C C 100 179.000 179.000 179.619 -0.619 18329 427 1 1 . 1 1 77 77 ALA CA C 100 56.300 56.300 56.010 0.291 18329 428 1 1 . 1 1 77 77 ALA CB C 100 16.800 16.800 17.971 -1.171 18329 429 1 1 . 1 1 77 77 ALA H H 100 9.400 9.400 8.281 1.119 18329 430 1 1 . 1 1 78 78 THR N N 101 111.820 111.820 112.648 -0.828 18329 431 1 1 . 1 1 78 78 THR HA H 101 3.750 3.750 4.044 -0.294 18329 432 1 1 . 1 1 78 78 THR CA C 101 67.500 67.500 65.939 1.561 18329 433 1 1 . 1 1 78 78 THR CB C 101 68.600 68.600 68.398 0.202 18329 434 1 1 . 1 1 78 78 THR H H 101 7.770 7.770 7.625 0.145 18329 435 1 1 . 1 1 79 79 LYS N N 102 122.940 122.940 119.524 3.416 18329 436 1 1 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.236 -0.146 18329 437 1 1 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.324 0.876 18329 438 1 1 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.507 -0.007 18329 439 1 1 . 1 1 79 79 LYS H H 102 7.870 7.870 7.488 0.382 18329 440 1 1 . 1 1 80 80 LEU N N 103 117.690 117.690 121.770 -4.080 18329 441 1 1 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.078 0.412 18329 442 1 1 . 1 1 80 80 LEU C C 103 178.140 178.140 177.470 0.670 18329 443 1 1 . 1 1 80 80 LEU CA C 103 54.000 54.000 56.035 -2.035 18329 444 1 1 . 1 1 80 80 LEU CB C 103 43.100 43.100 41.745 1.355 18329 445 1 1 . 1 1 80 80 LEU H H 103 7.550 7.550 8.306 -0.756 18329 446 1 1 . 1 1 81 81 LYS N N 104 122.210 122.210 118.539 3.671 18329 447 1 1 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.984 -0.054 18329 448 1 1 . 1 1 81 81 LYS C C 104 178.000 178.000 176.801 1.199 18329 449 1 1 . 1 1 81 81 LYS CA C 104 61.300 61.300 58.897 2.403 18329 450 1 1 . 1 1 81 81 LYS CB C 104 32.800 32.800 32.279 0.520 18329 451 1 1 . 1 1 81 81 LYS H H 104 7.500 7.500 7.655 -0.155 18329 452 1 1 . 1 1 82 82 GLU N N 105 114.920 114.920 116.693 -1.773 18329 453 1 1 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.137 0.423 18329 454 1 1 . 1 1 82 82 GLU C C 105 177.900 177.900 177.157 0.743 18329 455 1 1 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.523 0.137 18329 456 1 1 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.817 0.583 18329 457 1 1 . 1 1 82 82 GLU H H 105 8.780 8.780 7.960 0.820 18329 458 1 1 . 1 1 83 83 THR N N 106 107.260 107.260 111.198 -3.938 18329 459 1 1 . 1 1 83 83 THR HA H 106 4.550 4.550 3.841 0.709 18329 460 1 1 . 1 1 83 83 THR C C 106 176.300 176.300 174.842 1.458 18329 461 1 1 . 1 1 83 83 THR CA C 106 61.900 61.900 64.201 -2.300 18329 462 1 1 . 1 1 83 83 THR CB C 106 70.400 70.400 68.403 1.997 18329 463 1 1 . 1 1 83 83 THR H H 106 7.570 7.570 8.610 -1.040 18329 464 1 1 . 1 1 84 84 GLY N N 107 112.110 112.110 112.000 0.110 18329 465 1 1 . 1 1 84 84 GLY C C 107 172.800 172.800 172.874 -0.074 18329 466 1 1 . 1 1 84 84 GLY CA C 107 45.400 45.400 44.680 0.720 18329 467 1 1 . 1 1 84 84 GLY H H 107 9.000 9.000 8.357 0.643 18329 468 1 1 . 1 1 85 85 SER N N 108 119.030 119.030 114.845 4.185 18329 469 1 1 . 1 1 85 85 SER CA C 108 56.300 56.300 58.554 -2.254 18329 470 1 1 . 1 1 85 85 SER CB C 108 66.300 66.300 63.257 3.043 18329 471 1 1 . 1 1 85 85 SER H H 108 8.950 8.950 8.639 0.311 18329 472 1 1 . 1 1 86 86 SER HA H 109 4.480 4.480 4.426 0.054 18329 473 1 1 . 1 1 86 86 SER C C 109 177.000 177.000 176.953 0.047 18329 474 1 1 . 1 1 86 86 SER CA C 109 61.600 61.600 60.663 0.937 18329 475 1 1 . 1 1 86 86 SER CB C 109 62.900 62.900 63.310 -0.410 18329 476 1 1 . 1 1 87 87 GLY N N 110 108.100 108.100 109.935 -1.835 18329 477 1 1 . 1 1 87 87 GLY C C 110 177.100 177.100 176.376 0.724 18329 478 1 1 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.962 -0.762 18329 479 1 1 . 1 1 87 87 GLY H H 110 8.480 8.480 8.529 -0.049 18329 480 1 1 . 1 1 88 88 GLU N N 111 123.040 123.040 122.226 0.814 18329 481 1 1 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.124 -0.434 18329 482 1 1 . 1 1 88 88 GLU C C 111 177.700 177.700 179.068 -1.368 18329 483 1 1 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.066 1.434 18329 484 1 1 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.023 -0.323 18329 485 1 1 . 1 1 88 88 GLU H H 111 7.560 7.560 7.598 -0.038 18329 486 1 1 . 1 1 89 89 PHE N N 112 118.270 118.270 119.352 -1.082 18329 487 1 1 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.365 0.055 18329 488 1 1 . 1 1 89 89 PHE C C 112 178.600 178.600 177.983 0.617 18329 489 1 1 . 1 1 89 89 PHE CA C 112 61.100 61.100 60.826 0.274 18329 490 1 1 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.447 -0.547 18329 491 1 1 . 1 1 89 89 PHE H H 112 7.200 7.200 7.606 -0.406 18329 492 1 1 . 1 1 90 90 SER N N 113 115.980 115.980 115.335 0.645 18329 493 1 1 . 1 1 90 90 SER HA H 113 4.290 4.290 4.137 0.153 18329 494 1 1 . 1 1 90 90 SER C C 113 178.600 178.600 176.453 2.147 18329 495 1 1 . 1 1 90 90 SER CA C 113 62.700 62.700 62.102 0.598 18329 496 1 1 . 1 1 90 90 SER CB C 113 62.800 62.800 62.979 -0.179 18329 497 1 1 . 1 1 90 90 SER H H 113 8.830 8.830 8.818 0.012 18329 498 1 1 . 1 1 91 91 ALA N N 114 123.130 123.130 123.543 -0.413 18329 499 1 1 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.200 0.180 18329 500 1 1 . 1 1 91 91 ALA C C 114 181.300 181.300 179.681 1.619 18329 501 1 1 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.903 -0.203 18329 502 1 1 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.238 0.162 18329 503 1 1 . 1 1 91 91 ALA H H 114 7.580 7.580 7.566 0.014 18329 504 1 1 . 1 1 92 92 MET N N 115 118.700 118.700 117.585 1.115 18329 505 1 1 . 1 1 92 92 MET HA H 115 3.980 3.980 4.336 -0.356 18329 506 1 1 . 1 1 92 92 MET C C 115 178.000 178.000 178.433 -0.433 18329 507 1 1 . 1 1 92 92 MET CA C 115 61.000 61.000 57.326 3.674 18329 508 1 1 . 1 1 92 92 MET CB C 115 31.400 31.400 31.859 -0.459 18329 509 1 1 . 1 1 92 92 MET H H 115 7.880 7.880 8.030 -0.150 18329 510 1 1 . 1 1 93 93 TYR N N 116 119.200 119.200 121.069 -1.869 18329 511 1 1 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.156 0.124 18329 512 1 1 . 1 1 93 93 TYR C C 116 176.300 176.300 177.229 -0.929 18329 513 1 1 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.645 0.455 18329 514 1 1 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.437 -0.137 18329 515 1 1 . 1 1 93 93 TYR H H 116 7.870 7.870 8.039 -0.169 18329 516 1 1 . 1 1 94 94 ASP N N 117 120.210 120.210 120.263 -0.053 18329 517 1 1 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.475 -0.285 18329 518 1 1 . 1 1 94 94 ASP C C 117 179.000 179.000 178.306 0.694 18329 519 1 1 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.367 0.333 18329 520 1 1 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.546 -0.546 18329 521 1 1 . 1 1 94 94 ASP H H 117 8.720 8.720 8.035 0.685 18329 522 1 1 . 1 1 95 95 LEU N N 118 118.420 118.420 119.818 -1.398 18329 523 1 1 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.002 0.208 18329 524 1 1 . 1 1 95 95 LEU C C 118 178.600 178.600 179.183 -0.583 18329 525 1 1 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.776 -0.076 18329 526 1 1 . 1 1 95 95 LEU CB C 118 43.100 43.100 42.000 1.100 18329 527 1 1 . 1 1 95 95 LEU H H 118 7.510 7.510 7.507 0.003 18329 528 1 1 . 1 1 96 96 MET N N 119 118.470 118.470 119.305 -0.835 18329 529 1 1 . 1 1 96 96 MET HA H 119 3.990 3.990 4.058 -0.068 18329 530 1 1 . 1 1 96 96 MET C C 119 177.500 177.500 178.203 -0.703 18329 531 1 1 . 1 1 96 96 MET CA C 119 60.500 60.500 57.654 2.845 18329 532 1 1 . 1 1 96 96 MET CB C 119 33.900 33.900 31.537 2.363 18329 533 1 1 . 1 1 96 96 MET H H 119 7.820 7.820 7.356 0.464 18329 534 1 1 . 1 1 97 97 PHE N N 120 119.580 119.580 120.688 -1.108 18329 535 1 1 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.073 -0.263 18329 536 1 1 . 1 1 97 97 PHE C C 120 178.800 178.800 177.804 0.996 18329 537 1 1 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.596 0.204 18329 538 1 1 . 1 1 97 97 PHE CB C 120 39.200 39.200 39.049 0.151 18329 539 1 1 . 1 1 97 97 PHE H H 120 8.940 8.940 7.903 1.037 18329 540 1 1 . 1 1 98 98 GLU N N 121 119.940 119.940 117.690 2.250 18329 541 1 1 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.078 -0.198 18329 542 1 1 . 1 1 98 98 GLU C C 121 180.800 180.800 178.783 2.017 18329 543 1 1 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.210 0.590 18329 544 1 1 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.428 -0.228 18329 545 1 1 . 1 1 98 98 GLU H H 121 8.690 8.690 8.624 0.066 18329 546 1 1 . 1 1 99 99 VAL N N 122 115.350 115.350 117.289 -1.939 18329 547 1 1 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.750 -0.010 18329 548 1 1 . 1 1 99 99 VAL C C 122 176.500 176.500 177.185 -0.685 18329 549 1 1 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.722 -0.221 18329 550 1 1 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.780 -0.480 18329 551 1 1 . 1 1 99 99 VAL H H 122 8.210 8.210 7.902 0.308 18329 552 1 1 . 1 1 100 100 SER N N 123 115.450 115.450 115.859 -0.409 18329 553 1 1 . 1 1 100 100 SER HA H 123 4.270 4.270 4.009 0.261 18329 554 1 1 . 1 1 100 100 SER C C 123 174.700 174.700 176.509 -1.809 18329 555 1 1 . 1 1 100 100 SER CA C 123 62.000 62.000 61.133 0.867 18329 556 1 1 . 1 1 100 100 SER H H 123 7.520 7.520 8.072 -0.552 18329 557 1 1 . 1 1 101 101 LYS N N 124 120.310 120.310 122.467 -2.157 18329 558 1 1 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.118 -0.148 18329 559 1 1 . 1 1 101 101 LYS C C 124 176.600 176.600 175.577 1.023 18329 560 1 1 . 1 1 101 101 LYS CA C 124 61.100 61.100 60.482 0.618 18329 561 1 1 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.607 -2.107 18329 562 1 1 . 1 1 101 101 LYS H H 124 6.930 6.930 7.347 -0.417 18329 563 1 1 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.122 0.138 18329 564 1 1 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.876 -0.676 18329 565 1 1 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.203 -0.603 18329 566 1 1 . 1 1 103 103 LEU N N 126 116.020 116.020 115.698 0.322 18329 567 1 1 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.134 -0.254 18329 568 1 1 . 1 1 103 103 LEU C C 126 177.900 177.900 178.838 -0.938 18329 569 1 1 . 1 1 103 103 LEU CA C 126 57.700 57.700 56.631 1.069 18329 570 1 1 . 1 1 103 103 LEU CB C 126 41.800 41.800 40.736 1.064 18329 571 1 1 . 1 1 103 103 LEU H H 126 6.520 6.520 7.394 -0.874 18329 572 1 1 . 1 1 104 104 GLN N N 127 120.500 120.500 120.231 0.269 18329 573 1 1 . 1 1 104 104 GLN C C 127 180.600 180.600 178.363 2.237 18329 574 1 1 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.641 -0.341 18329 575 1 1 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.188 0.812 18329 576 1 1 . 1 1 104 104 GLN H H 127 8.160 8.160 7.988 0.172 18329 577 1 1 . 1 1 105 105 LYS N N 128 120.000 120.000 118.273 1.727 18329 578 1 1 . 1 1 105 105 LYS HA H 128 4.050 4.050 3.935 0.115 18329 579 1 1 . 1 1 105 105 LYS C C 128 177.100 177.100 179.241 -2.141 18329 580 1 1 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.719 -0.219 18329 581 1 1 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.082 -0.682 18329 582 1 1 . 1 1 105 105 LYS H H 128 7.810 7.810 7.455 0.355 18329 583 1 1 . 1 1 106 106 LEU N N 129 118.530 118.530 117.491 1.039 18329 584 1 1 . 1 1 106 106 LEU HA H 129 3.970 3.970 3.957 0.013 18329 585 1 1 . 1 1 106 106 LEU C C 129 175.200 175.200 176.287 -1.087 18329 586 1 1 . 1 1 106 106 LEU CA C 129 54.500 54.500 55.667 -1.167 18329 587 1 1 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.004 -0.604 18329 588 1 1 . 1 1 106 106 LEU H H 129 7.220 7.220 7.376 -0.156 18329 589 1 1 . 1 1 107 107 GLY N N 130 101.490 101.490 105.119 -3.629 18329 590 1 1 . 1 1 107 107 GLY C C 130 174.800 174.800 173.584 1.216 18329 591 1 1 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.212 0.888 18329 592 1 1 . 1 1 107 107 GLY H H 130 7.560 7.560 7.608 -0.048 18329 593 1 1 . 1 1 108 108 ILE N N 131 121.340 121.340 121.012 0.328 18329 594 1 1 . 1 1 108 108 ILE HA H 131 4.150 4.150 4.116 0.034 18329 595 1 1 . 1 1 108 108 ILE C C 131 174.300 174.300 175.919 -1.619 18329 596 1 1 . 1 1 108 108 ILE CA C 131 60.400 60.400 61.055 -0.655 18329 597 1 1 . 1 1 108 108 ILE CB C 131 35.200 35.200 38.632 -3.432 18329 598 1 1 . 1 1 108 108 ILE H H 131 7.290 7.290 8.081 -0.791 18329 599 1 1 . 1 1 109 109 GLN N N 132 125.650 125.650 117.430 8.220 18329 600 1 1 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.438 -0.428 18329 601 1 1 . 1 1 109 109 GLN C C 132 176.800 176.800 176.364 0.436 18329 602 1 1 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.507 2.093 18329 603 1 1 . 1 1 109 109 GLN CB C 132 29.000 29.000 30.932 -1.932 18329 604 1 1 . 1 1 109 109 GLN H H 132 8.080 8.080 8.000 0.080 18329 605 1 1 . 1 1 110 110 GLU N N 133 114.890 114.890 122.255 -7.365 18329 606 1 1 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.430 -0.280 18329 607 1 1 . 1 1 110 110 GLU C C 133 177.100 177.100 176.465 0.635 18329 608 1 1 . 1 1 110 110 GLU CA C 133 57.100 57.100 55.944 1.156 18329 609 1 1 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.033 -0.733 18329 610 1 1 . 1 1 110 110 GLU H H 133 9.270 9.270 8.774 0.496 18329 611 1 1 . 1 1 111 111 MET N N 134 121.210 121.210 121.681 -0.471 18329 612 1 1 . 1 1 111 111 MET HA H 134 4.350 4.350 4.108 0.242 18329 613 1 1 . 1 1 111 111 MET C C 134 177.500 177.500 177.205 0.295 18329 614 1 1 . 1 1 111 111 MET CA C 134 57.900 57.900 58.876 -0.976 18329 615 1 1 . 1 1 111 111 MET CB C 134 33.300 33.300 32.339 0.961 18329 616 1 1 . 1 1 111 111 MET H H 134 7.620 7.620 7.819 -0.199 18329 617 1 1 . 1 1 112 112 THR N N 135 113.170 113.170 109.427 3.743 18329 618 1 1 . 1 1 112 112 THR HA H 135 3.920 3.920 3.969 -0.049 18329 619 1 1 . 1 1 112 112 THR C C 135 176.400 176.400 176.274 0.126 18329 620 1 1 . 1 1 112 112 THR CA C 135 65.900 65.900 65.312 0.588 18329 621 1 1 . 1 1 112 112 THR CB C 135 68.200 68.200 68.371 -0.171 18329 622 1 1 . 1 1 112 112 THR H H 135 8.320 8.320 8.661 -0.341 18329 623 1 1 . 1 1 113 113 LYS N N 136 123.440 123.440 121.132 2.308 18329 624 1 1 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.328 -0.398 18329 625 1 1 . 1 1 113 113 LYS C C 136 177.600 177.600 178.490 -0.890 18329 626 1 1 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.215 -0.916 18329 627 1 1 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.550 -0.550 18329 628 1 1 . 1 1 113 113 LYS H H 136 8.060 8.060 7.217 0.843 18329 629 1 1 . 1 1 114 114 THR N N 137 114.590 114.590 118.204 -3.614 18329 630 1 1 . 1 1 114 114 THR HA H 137 4.000 4.000 4.095 -0.095 18329 631 1 1 . 1 1 114 114 THR C C 137 176.800 176.800 176.643 0.157 18329 632 1 1 . 1 1 114 114 THR CA C 137 67.600 67.600 67.355 0.245 18329 633 1 1 . 1 1 114 114 THR CB C 137 69.200 69.200 68.557 0.643 18329 634 1 1 . 1 1 114 114 THR H H 137 7.950 7.950 8.504 -0.554 18329 635 1 1 . 1 1 115 115 VAL N N 138 119.080 119.080 120.219 -1.139 18329 636 1 1 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.781 0.039 18329 637 1 1 . 1 1 115 115 VAL C C 138 176.900 176.900 177.267 -0.367 18329 638 1 1 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.896 0.904 18329 639 1 1 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.881 0.619 18329 640 1 1 . 1 1 115 115 VAL H H 138 7.320 7.320 8.628 -1.308 18329 641 1 1 . 1 1 116 116 SER N N 139 116.630 116.630 113.854 2.776 18329 642 1 1 . 1 1 116 116 SER HA H 139 4.680 4.680 4.399 0.281 18329 643 1 1 . 1 1 116 116 SER C C 139 179.000 179.000 176.896 2.104 18329 644 1 1 . 1 1 116 116 SER CA C 139 61.400 61.400 61.386 0.014 18329 645 1 1 . 1 1 116 116 SER CB C 139 62.800 62.800 62.818 -0.018 18329 646 1 1 . 1 1 116 116 SER H H 139 8.990 8.990 7.760 1.230 18329 647 1 1 . 1 1 117 117 ASP N N 140 124.220 124.220 123.557 0.663 18329 648 1 1 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.532 -0.172 18329 649 1 1 . 1 1 117 117 ASP C C 140 179.900 179.900 177.239 2.661 18329 650 1 1 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.592 0.708 18329 651 1 1 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.689 -1.189 18329 652 1 1 . 1 1 117 117 ASP H H 140 9.480 9.480 8.602 0.878 18329 653 1 1 . 1 1 118 118 ALA N N 141 121.420 121.420 120.705 0.715 18329 654 1 1 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.244 0.036 18329 655 1 1 . 1 1 118 118 ALA C C 141 179.800 179.800 179.052 0.748 18329 656 1 1 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.422 -0.022 18329 657 1 1 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.358 0.642 18329 658 1 1 . 1 1 118 118 ALA H H 141 7.340 7.340 7.583 -0.243 18329 659 1 1 . 1 1 119 119 ALA N N 142 121.680 121.680 120.539 1.141 18329 660 1 1 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.047 0.083 18329 661 1 1 . 1 1 119 119 ALA C C 142 178.800 178.800 179.398 -0.598 18329 662 1 1 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.774 -1.574 18329 663 1 1 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.463 -0.163 18329 664 1 1 . 1 1 119 119 ALA H H 142 7.890 7.890 7.698 0.192 18329 665 1 1 . 1 1 120 120 GLU N N 143 117.690 117.690 117.416 0.274 18329 666 1 1 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.068 -0.128 18329 667 1 1 . 1 1 120 120 GLU C C 143 178.100 178.100 178.654 -0.554 18329 668 1 1 . 1 1 120 120 GLU CA C 143 58.700 58.700 58.735 -0.035 18329 669 1 1 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.311 0.189 18329 670 1 1 . 1 1 120 120 GLU H H 143 7.500 7.500 7.877 -0.377 18329 671 1 1 . 1 1 121 121 GLU N N 144 115.680 115.680 119.517 -3.837 18329 672 1 1 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.168 -0.008 18329 673 1 1 . 1 1 121 121 GLU C C 144 176.100 176.100 176.973 -0.873 18329 674 1 1 . 1 1 121 121 GLU CA C 144 56.900 56.900 58.272 -1.372 18329 675 1 1 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.378 0.722 18329 676 1 1 . 1 1 121 121 GLU H H 144 6.970 6.970 7.730 -0.760 18329 677 1 1 . 1 1 122 122 ASN N N 145 117.750 117.750 115.555 2.195 18329 678 1 1 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.037 -0.047 18329 679 1 1 . 1 1 122 122 ASN C C 145 185.300 185.300 172.647 12.653 18329 680 1 1 . 1 1 122 122 ASN CA C 145 50.200 50.200 51.295 -1.095 18329 681 1 1 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.827 1.274 18329 682 1 1 . 1 1 122 122 ASN H H 145 7.670 7.670 8.030 -0.360 18329 683 1 1 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.463 0.167 18329 684 1 1 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.231 -1.231 18329 685 1 1 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.502 -0.202 18329 686 1 1 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.204 0.236 18329 687 1 1 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.801 -0.901 18329 688 1 1 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.856 -3.456 18329 689 1 1 . 1 1 125 125 THR N N 148 106.090 106.090 116.013 -9.923 18329 690 1 1 . 1 1 125 125 THR HA H 148 4.530 4.530 4.461 0.069 18329 691 1 1 . 1 1 125 125 THR C C 148 174.300 174.300 173.383 0.917 18329 692 1 1 . 1 1 125 125 THR CA C 148 61.200 61.200 61.745 -0.545 18329 693 1 1 . 1 1 125 125 THR CB C 148 68.600 68.600 70.050 -1.450 18329 694 1 1 . 1 1 125 125 THR H H 148 7.800 7.800 8.034 -0.234 18329 695 1 1 . 1 1 126 126 THR N N 149 108.650 108.650 114.079 -5.429 18329 696 1 1 . 1 1 126 126 THR HA H 149 4.170 4.170 4.492 -0.322 18329 697 1 1 . 1 1 126 126 THR C C 149 173.100 173.100 173.538 -0.438 18329 698 1 1 . 1 1 126 126 THR CA C 149 58.800 58.800 60.304 -1.504 18329 699 1 1 . 1 1 126 126 THR CB C 149 73.100 73.100 71.649 1.451 18329 700 1 1 . 1 1 126 126 THR H H 149 7.350 7.350 7.170 0.180 18329 701 1 1 . 1 1 127 127 ALA N N 150 123.270 123.270 123.756 -0.486 18329 702 1 1 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.647 -0.627 18329 703 1 1 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.119 -0.119 18329 704 1 1 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.619 0.081 18329 705 1 1 . 1 1 127 127 ALA H H 150 7.750 7.750 8.585 -0.835 18329 706 1 1 . 1 1 128 128 GLN N N 151 114.920 114.920 116.177 -1.257 18329 707 1 1 . 1 1 128 128 GLN HA H 151 3.750 3.750 3.954 -0.204 18329 708 1 1 . 1 1 128 128 GLN C C 151 178.400 178.400 178.438 -0.038 18329 709 1 1 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.168 0.632 18329 710 1 1 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.167 -0.967 18329 711 1 1 . 1 1 128 128 GLN H H 151 8.300 8.300 8.733 -0.433 18329 712 1 1 . 1 1 129 129 GLY N N 152 107.280 107.280 107.842 -0.562 18329 713 1 1 . 1 1 129 129 GLY C C 152 174.900 174.900 175.549 -0.649 18329 714 1 1 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.588 0.612 18329 715 1 1 . 1 1 129 129 GLY H H 152 7.920 7.920 7.512 0.408 18329 716 1 1 . 1 1 130 130 VAL N N 153 119.440 119.440 122.191 -2.751 18329 717 1 1 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.614 -0.144 18329 718 1 1 . 1 1 130 130 VAL C C 153 177.700 177.700 177.323 0.377 18329 719 1 1 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.675 2.125 18329 720 1 1 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.762 -0.062 18329 721 1 1 . 1 1 130 130 VAL H H 153 7.390 7.390 7.184 0.206 18329 722 1 1 . 1 1 131 131 LEU N N 154 118.990 118.990 119.776 -0.786 18329 723 1 1 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.891 0.019 18329 724 1 1 . 1 1 131 131 LEU C C 154 180.400 180.400 178.489 1.911 18329 725 1 1 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.831 -0.531 18329 726 1 1 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.283 -0.283 18329 727 1 1 . 1 1 131 131 LEU H H 154 8.640 8.640 7.567 1.073 18329 728 1 1 . 1 1 132 132 GLU N N 155 120.980 120.980 119.889 1.091 18329 729 1 1 . 1 1 132 132 GLU HA H 155 4.120 4.120 3.963 0.157 18329 730 1 1 . 1 1 132 132 GLU C C 155 179.400 179.400 179.046 0.354 18329 731 1 1 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.642 -0.743 18329 732 1 1 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.334 -0.134 18329 733 1 1 . 1 1 132 132 GLU H H 155 8.000 8.000 7.429 0.571 18329 734 1 1 . 1 1 133 133 ILE N N 156 121.830 121.830 120.404 1.426 18329 735 1 1 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.666 -0.086 18329 736 1 1 . 1 1 133 133 ILE C C 156 178.000 178.000 177.845 0.155 18329 737 1 1 . 1 1 133 133 ILE CA C 156 65.500 65.500 64.687 0.813 18329 738 1 1 . 1 1 133 133 ILE CB C 156 39.600 39.600 37.690 1.910 18329 739 1 1 . 1 1 133 133 ILE H H 156 8.040 8.040 7.372 0.668 18329 740 1 1 . 1 1 134 134 ALA N N 157 121.470 121.470 122.283 -0.813 18329 741 1 1 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.854 0.046 18329 742 1 1 . 1 1 134 134 ALA C C 157 178.800 178.800 179.579 -0.779 18329 743 1 1 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.676 -0.376 18329 744 1 1 . 1 1 134 134 ALA CB C 157 18.100 18.100 17.982 0.118 18329 745 1 1 . 1 1 134 134 ALA H H 157 8.950 8.950 8.491 0.459 18329 746 1 1 . 1 1 135 135 LYS N N 158 118.470 118.470 117.856 0.614 18329 747 1 1 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.938 -0.028 18329 748 1 1 . 1 1 135 135 LYS C C 158 179.300 179.300 179.320 -0.020 18329 749 1 1 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.726 -0.226 18329 750 1 1 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.232 -0.832 18329 751 1 1 . 1 1 135 135 LYS H H 158 8.000 8.000 7.934 0.066 18329 752 1 1 . 1 1 136 136 LYS N N 159 118.000 118.000 119.238 -1.238 18329 753 1 1 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.071 -0.021 18329 754 1 1 . 1 1 136 136 LYS C C 159 180.200 180.200 179.458 0.742 18329 755 1 1 . 1 1 136 136 LYS CA C 159 59.500 59.500 58.895 0.605 18329 756 1 1 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.122 -1.222 18329 757 1 1 . 1 1 136 136 LYS H H 159 7.530 7.530 7.817 -0.287 18329 758 1 1 . 1 1 137 137 MET N N 160 120.990 120.990 119.772 1.218 18329 759 1 1 . 1 1 137 137 MET HA H 160 3.800 3.800 4.242 -0.442 18329 760 1 1 . 1 1 137 137 MET C C 160 177.400 177.400 178.626 -1.226 18329 761 1 1 . 1 1 137 137 MET CA C 160 60.600 60.600 59.482 1.118 18329 762 1 1 . 1 1 137 137 MET CB C 160 31.800 31.800 32.842 -1.042 18329 763 1 1 . 1 1 137 137 MET H H 160 8.660 8.660 8.510 0.150 18329 764 1 1 . 1 1 138 138 ARG N N 161 119.480 119.480 120.034 -0.554 18329 765 1 1 . 1 1 138 138 ARG HA H 161 3.800 3.800 4.072 -0.272 18329 766 1 1 . 1 1 138 138 ARG C C 161 177.900 177.900 179.036 -1.136 18329 767 1 1 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.713 0.887 18329 768 1 1 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.256 -0.457 18329 769 1 1 . 1 1 138 138 ARG H H 161 9.280 9.280 8.381 0.899 18329 770 1 1 . 1 1 139 139 GLU N N 162 118.700 118.700 118.454 0.246 18329 771 1 1 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.060 -0.060 18329 772 1 1 . 1 1 139 139 GLU C C 162 179.100 179.100 178.644 0.456 18329 773 1 1 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.228 0.572 18329 774 1 1 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.322 0.178 18329 775 1 1 . 1 1 139 139 GLU H H 162 8.430 8.430 8.283 0.147 18329 776 1 1 . 1 1 140 140 LYS N N 163 119.310 119.310 119.625 -0.315 18329 777 1 1 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.109 0.101 18329 778 1 1 . 1 1 140 140 LYS C C 163 177.900 177.900 179.603 -1.703 18329 779 1 1 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.964 -0.063 18329 780 1 1 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.538 -1.438 18329 781 1 1 . 1 1 140 140 LYS H H 163 7.440 7.440 7.598 -0.158 18329 782 1 1 . 1 1 141 141 LEU N N 164 117.630 117.630 120.835 -3.205 18329 783 1 1 . 1 1 141 141 LEU HA H 164 3.890 3.890 3.998 -0.108 18329 784 1 1 . 1 1 141 141 LEU C C 164 178.700 178.700 178.982 -0.282 18329 785 1 1 . 1 1 141 141 LEU CA C 164 58.000 58.000 58.047 -0.047 18329 786 1 1 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.839 -0.339 18329 787 1 1 . 1 1 141 141 LEU H H 164 8.180 8.180 8.418 -0.238 18329 788 1 1 . 1 1 142 142 GLN N N 165 117.710 117.710 117.697 0.013 18329 789 1 1 . 1 1 142 142 GLN HA H 165 4.310 4.310 4.048 0.262 18329 790 1 1 . 1 1 142 142 GLN C C 165 179.200 179.200 178.174 1.026 18329 791 1 1 . 1 1 142 142 GLN CA C 165 58.500 58.500 58.439 0.061 18329 792 1 1 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.521 -1.021 18329 793 1 1 . 1 1 142 142 GLN H H 165 8.730 8.730 7.929 0.801 18329 794 1 1 . 1 1 143 143 ARG N N 166 121.410 121.410 119.699 1.711 18329 795 1 1 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.053 0.137 18329 796 1 1 . 1 1 143 143 ARG C C 166 179.700 179.700 178.100 1.600 18329 797 1 1 . 1 1 143 143 ARG CA C 166 59.800 59.800 58.934 0.866 18329 798 1 1 . 1 1 143 143 ARG CB C 166 30.200 30.200 30.033 0.167 18329 799 1 1 . 1 1 143 143 ARG H H 166 8.050 8.050 8.297 -0.247 18329 800 1 1 . 1 1 144 144 VAL N N 167 120.950 120.950 115.642 5.308 18329 801 1 1 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.761 -0.001 18329 802 1 1 . 1 1 144 144 VAL C C 167 179.200 179.200 177.468 1.732 18329 803 1 1 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.613 -0.213 18329 804 1 1 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.009 1.091 18329 805 1 1 . 1 1 144 144 VAL H H 167 8.190 8.190 7.463 0.727 18329 806 1 1 . 1 1 145 145 HIS N N 168 123.520 123.520 118.746 4.774 18329 807 1 1 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.460 -0.560 18329 808 1 1 . 1 1 145 145 HIS C C 168 177.100 177.100 177.470 -0.370 18329 809 1 1 . 1 1 145 145 HIS CA C 168 61.300 61.300 58.512 2.788 18329 810 1 1 . 1 1 145 145 HIS CB C 168 29.900 29.900 29.846 0.054 18329 811 1 1 . 1 1 145 145 HIS H H 168 9.240 9.240 8.065 1.175 18329 812 1 1 . 1 1 146 146 THR N N 169 115.020 115.020 116.914 -1.894 18329 813 1 1 . 1 1 146 146 THR HA H 169 3.860 3.860 3.877 -0.017 18329 814 1 1 . 1 1 146 146 THR C C 169 175.700 175.700 176.568 -0.868 18329 815 1 1 . 1 1 146 146 THR CA C 169 67.200 67.200 66.860 0.340 18329 816 1 1 . 1 1 146 146 THR CB C 169 69.300 69.300 68.461 0.839 18329 817 1 1 . 1 1 146 146 THR H H 169 8.750 8.750 7.596 1.154 18329 818 1 1 . 1 1 147 147 LYS N N 170 120.300 120.300 121.203 -0.903 18329 819 1 1 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.913 0.087 18329 820 1 1 . 1 1 147 147 LYS C C 170 179.300 179.300 178.903 0.397 18329 821 1 1 . 1 1 147 147 LYS CA C 170 59.100 59.100 60.491 -1.391 18329 822 1 1 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.231 -0.431 18329 823 1 1 . 1 1 147 147 LYS H H 170 8.020 8.020 7.916 0.104 18329 824 1 1 . 1 1 148 148 ASN N N 171 117.600 117.600 118.860 -1.260 18329 825 1 1 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.568 -0.248 18329 826 1 1 . 1 1 148 148 ASN C C 171 175.400 175.400 177.943 -2.543 18329 827 1 1 . 1 1 148 148 ASN CA C 171 57.700 57.700 56.279 1.421 18329 828 1 1 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.638 1.062 18329 829 1 1 . 1 1 148 148 ASN H H 171 7.810 7.810 7.714 0.096 18329 830 1 1 . 1 1 149 149 TYR N N 172 121.560 121.560 121.788 -0.228 18329 831 1 1 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.239 -0.349 18329 832 1 1 . 1 1 149 149 TYR C C 172 176.900 176.900 177.772 -0.872 18329 833 1 1 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.956 -0.457 18329 834 1 1 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.383 0.537 18329 835 1 1 . 1 1 149 149 TYR H H 172 9.020 9.020 8.181 0.839 18329 836 1 1 . 1 1 150 150 CYS N N 173 116.050 116.050 118.064 -2.014 18329 837 1 1 . 1 1 150 150 CYS C C 173 177.100 177.100 176.451 0.649 18329 838 1 1 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.123 -2.723 18329 839 1 1 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.393 12.207 18329 840 1 1 . 1 1 150 150 CYS H H 173 8.810 8.810 8.387 0.423 18329 841 1 1 . 1 1 151 151 THR N N 174 117.190 117.190 115.201 1.989 18329 842 1 1 . 1 1 151 151 THR HA H 174 3.880 3.880 4.011 -0.131 18329 843 1 1 . 1 1 151 151 THR C C 174 176.000 176.000 176.915 -0.915 18329 844 1 1 . 1 1 151 151 THR CA C 174 66.900 66.900 65.329 1.571 18329 845 1 1 . 1 1 151 151 THR CB C 174 68.500 68.500 68.247 0.253 18329 846 1 1 . 1 1 151 151 THR H H 174 7.720 7.720 8.290 -0.570 18329 847 1 1 . 1 1 152 152 LEU N N 175 123.110 123.110 121.930 1.180 18329 848 1 1 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.001 -0.191 18329 849 1 1 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.484 0.516 18329 850 1 1 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.161 0.339 18329 851 1 1 . 1 1 152 152 LEU H H 175 7.870 7.870 7.789 0.081 18329 852 1 1 . 1 1 153 153 LYS N N 176 117.270 117.270 118.819 -1.549 18329 853 1 1 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.877 -0.177 18329 854 1 1 . 1 1 153 153 LYS C C 176 179.100 179.100 177.679 1.421 18329 855 1 1 . 1 1 153 153 LYS CA C 176 56.700 56.700 58.550 -1.851 18329 856 1 1 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.706 -1.806 18329 857 1 1 . 1 1 153 153 LYS H H 176 7.900 7.900 7.557 0.343 18329 858 1 1 . 1 1 154 154 LYS N N 177 119.290 119.290 118.870 0.420 18329 859 1 1 . 1 1 154 154 LYS HA H 177 4.260 4.260 3.911 0.349 18329 860 1 1 . 1 1 154 154 LYS C C 177 178.100 178.100 178.387 -0.287 18329 861 1 1 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.401 -1.601 18329 862 1 1 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.722 0.078 18329 863 1 1 . 1 1 154 154 LYS H H 177 7.540 7.540 7.859 -0.319 18329 864 1 1 . 1 1 155 155 LYS N N 178 118.910 118.910 118.972 -0.062 18329 865 1 1 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.055 -0.005 18329 866 1 1 . 1 1 155 155 LYS C C 178 178.100 178.100 178.006 0.094 18329 867 1 1 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.825 -0.826 18329 868 1 1 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.012 0.188 18329 869 1 1 . 1 1 155 155 LYS H H 178 7.630 7.630 7.742 -0.112 18329 870 1 1 . 1 1 156 156 GLU N N 179 117.950 117.950 117.102 0.848 18329 871 1 1 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.191 -0.081 18329 872 1 1 . 1 1 156 156 GLU C C 179 176.700 176.700 178.008 -1.308 18329 873 1 1 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.215 -0.715 18329 874 1 1 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.665 -0.065 18329 875 1 1 . 1 1 156 156 GLU H H 179 7.560 7.560 7.627 -0.067 18329 876 1 1 . 1 1 157 157 ASN N N 180 116.590 116.590 115.773 0.817 18329 877 1 1 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.521 0.199 18329 878 1 1 . 1 1 157 157 ASN C C 180 175.000 175.000 176.250 -1.250 18329 879 1 1 . 1 1 157 157 ASN CA C 180 52.700 52.700 54.851 -2.151 18329 880 1 1 . 1 1 157 157 ASN CB C 180 38.800 38.800 39.175 -0.375 18329 881 1 1 . 1 1 157 157 ASN H H 180 7.820 7.820 7.982 -0.162 18329 882 1 1 . 1 1 158 158 SER HA H 181 4.450 4.450 4.053 0.397 18329 883 1 1 . 1 1 158 158 SER CA C 181 60.400 60.400 60.791 -0.391 18329 884 1 1 . 1 1 158 158 SER CB C 181 63.500 63.500 62.008 1.492 18329 885 1 1 . 1 1 158 158 SER H H 181 8.030 8.030 8.802 -0.772 18329 886 1 1 . 1 1 159 159 THR N N 182 112.800 112.800 114.350 -1.550 18329 887 1 1 . 1 1 159 159 THR HA H 182 4.380 4.380 4.234 0.146 18329 888 1 1 . 1 1 159 159 THR C C 182 174.300 174.300 174.810 -0.510 18329 889 1 1 . 1 1 159 159 THR CA C 182 61.800 61.800 63.629 -1.829 18329 890 1 1 . 1 1 159 159 THR CB C 182 69.100 69.100 69.216 -0.116 18329 891 1 1 . 1 1 159 159 THR H H 182 8.070 8.070 8.065 0.005 18329 892 1 1 . 1 1 160 160 PHE N N 183 123.120 123.120 120.017 3.103 18329 893 1 1 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.297 0.143 18329 894 1 1 . 1 1 160 160 PHE C C 183 175.100 175.100 176.043 -0.943 18329 895 1 1 . 1 1 160 160 PHE CA C 183 58.900 58.900 58.448 0.452 18329 896 1 1 . 1 1 160 160 PHE CB C 183 40.000 40.000 38.052 1.948 18329 897 1 1 . 1 1 160 160 PHE H H 183 7.900 7.900 8.050 -0.150 18329 898 1 1 . 1 1 161 161 THR N N 184 119.330 119.330 112.459 6.871 18329 899 1 1 . 1 1 161 161 THR HA H 184 4.190 4.190 4.272 -0.082 18329 900 1 1 . 1 1 161 161 THR CA C 184 60.700 60.700 62.498 -1.798 18329 901 1 1 . 1 1 161 161 THR CB C 184 70.700 70.700 68.148 2.552 18329 902 1 1 . 1 1 161 161 THR H H 184 7.810 7.810 8.424 -0.614 18329 903 1 1 . 1 1 162 162 ASP N N 185 123.190 123.190 121.181 2.009 18329 904 1 1 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.698 -0.288 18329 905 1 1 . 1 1 162 162 ASP C C 185 176.900 176.900 174.635 2.265 18329 906 1 1 . 1 1 162 162 ASP CA C 185 53.900 53.900 54.805 -0.905 18329 907 1 1 . 1 1 162 162 ASP CB C 185 44.000 44.000 42.061 1.939 18329 908 1 1 . 1 1 162 162 ASP H H 185 8.000 8.000 7.820 0.180 18329 909 1 1 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.576 -0.096 18329 910 1 1 . 1 1 163 163 GLU CA C 186 58.800 58.800 56.047 2.753 18329 911 1 1 . 1 1 163 163 GLU CB C 186 28.100 28.100 30.648 -2.548 18329 912 1 1 . 1 1 166 166 LYS N N 189 118.150 118.150 124.332 -6.182 18329 913 1 1 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.495 -0.275 18329 914 1 1 . 1 1 166 166 LYS C C 189 177.500 177.500 176.378 1.122 18329 915 1 1 . 1 1 166 166 LYS CA C 189 58.000 58.000 56.326 1.674 18329 916 1 1 . 1 1 166 166 LYS CB C 189 32.600 32.600 32.224 0.376 18329 917 1 1 . 1 1 166 166 LYS H H 189 8.890 8.890 8.216 0.674 18329 918 1 1 . 1 1 167 167 ASN N N 190 116.210 116.210 121.139 -4.929 18329 919 1 1 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.678 0.282 18329 920 1 1 . 1 1 167 167 ASN C C 190 174.900 174.900 175.234 -0.334 18329 921 1 1 . 1 1 167 167 ASN CA C 190 52.900 52.900 53.333 -0.433 18329 922 1 1 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.522 -0.122 18329 923 1 1 . 1 1 167 167 ASN H H 190 8.030 8.030 8.721 -0.691 18329 924 1 2 . 1 1 2 2 ALA N N 25 125.000 125.000 124.915 0.085 18329 925 1 2 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.168 0.202 18329 926 1 2 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.644 -0.344 18329 927 1 2 . 1 1 2 2 ALA CB C 25 19.700 19.700 18.181 1.519 18329 928 1 2 . 1 1 2 2 ALA H H 25 8.690 8.690 8.233 0.457 18329 929 1 2 . 1 1 3 3 GLY N N 26 106.920 106.920 105.967 0.953 18329 930 1 2 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.168 -1.168 18329 931 1 2 . 1 1 3 3 GLY H H 26 7.940 7.940 7.964 -0.024 18329 932 1 2 . 1 1 4 4 LEU N N 27 119.140 119.140 122.780 -3.640 18329 933 1 2 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.556 -0.146 18329 934 1 2 . 1 1 4 4 LEU C C 27 177.100 177.100 177.731 -0.631 18329 935 1 2 . 1 1 4 4 LEU CA C 27 54.400 54.400 53.325 1.075 18329 936 1 2 . 1 1 4 4 LEU CB C 27 42.100 42.100 40.583 1.517 18329 937 1 2 . 1 1 4 4 LEU H H 27 8.210 8.210 8.056 0.154 18329 938 1 2 . 1 1 5 5 THR N N 28 112.940 112.940 111.092 1.848 18329 939 1 2 . 1 1 5 5 THR HA H 28 4.650 4.650 3.991 0.659 18329 940 1 2 . 1 1 5 5 THR C C 28 175.500 175.500 175.989 -0.489 18329 941 1 2 . 1 1 5 5 THR CA C 28 60.100 60.100 64.535 -4.435 18329 942 1 2 . 1 1 5 5 THR CB C 28 72.600 72.600 69.200 3.400 18329 943 1 2 . 1 1 5 5 THR H H 28 9.220 9.220 7.490 1.730 18329 944 1 2 . 1 1 6 6 GLY N N 29 108.230 108.230 107.728 0.502 18329 945 1 2 . 1 1 6 6 GLY C C 29 174.800 174.800 174.151 0.649 18329 946 1 2 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.978 1.022 18329 947 1 2 . 1 1 6 6 GLY H H 29 8.520 8.520 7.808 0.712 18329 948 1 2 . 1 1 7 7 ALA HA H 30 4.040 4.040 3.911 0.129 18329 949 1 2 . 1 1 7 7 ALA CA C 30 54.800 54.800 55.658 -0.858 18329 950 1 2 . 1 1 7 7 ALA CB C 30 18.200 18.200 18.237 -0.037 18329 951 1 2 . 1 1 8 8 THR N N 31 116.970 116.970 114.930 2.040 18329 952 1 2 . 1 1 8 8 THR HA H 31 3.740 3.740 3.875 -0.135 18329 953 1 2 . 1 1 8 8 THR C C 31 175.300 175.300 176.751 -1.451 18329 954 1 2 . 1 1 8 8 THR CA C 31 67.000 67.000 66.443 0.557 18329 955 1 2 . 1 1 8 8 THR CB C 31 68.700 68.700 68.412 0.288 18329 956 1 2 . 1 1 8 8 THR H H 31 8.110 8.110 8.151 -0.041 18329 957 1 2 . 1 1 9 9 LYS N N 32 120.540 120.540 122.481 -1.941 18329 958 1 2 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.071 -0.481 18329 959 1 2 . 1 1 9 9 LYS C C 32 176.900 176.900 178.928 -2.028 18329 960 1 2 . 1 1 9 9 LYS CA C 32 59.800 59.800 58.754 1.046 18329 961 1 2 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.612 0.788 18329 962 1 2 . 1 1 9 9 LYS H H 32 6.860 6.860 7.351 -0.491 18329 963 1 2 . 1 1 10 10 ILE N N 33 115.940 115.940 120.325 -4.385 18329 964 1 2 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.736 -0.026 18329 965 1 2 . 1 1 10 10 ILE C C 33 179.000 179.000 178.348 0.652 18329 966 1 2 . 1 1 10 10 ILE CA C 33 64.000 64.000 65.592 -1.592 18329 967 1 2 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.863 0.137 18329 968 1 2 . 1 1 10 10 ILE H H 33 7.380 7.380 8.745 -1.365 18329 969 1 2 . 1 1 11 11 ARG N N 34 118.350 118.350 120.375 -2.025 18329 970 1 2 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.000 0.040 18329 971 1 2 . 1 1 11 11 ARG C C 34 180.000 180.000 178.807 1.193 18329 972 1 2 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.925 -0.525 18329 973 1 2 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.162 0.138 18329 974 1 2 . 1 1 11 11 ARG H H 34 8.250 8.250 8.555 -0.305 18329 975 1 2 . 1 1 12 12 LEU N N 35 117.420 117.420 119.620 -2.200 18329 976 1 2 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.030 0.140 18329 977 1 2 . 1 1 12 12 LEU C C 35 179.000 179.000 178.904 0.096 18329 978 1 2 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.974 0.027 18329 979 1 2 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.813 -1.013 18329 980 1 2 . 1 1 12 12 LEU H H 35 8.340 8.340 8.099 0.241 18329 981 1 2 . 1 1 13 13 GLU N N 36 117.890 117.890 120.005 -2.115 18329 982 1 2 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.912 0.108 18329 983 1 2 . 1 1 13 13 GLU C C 36 180.100 180.100 178.607 1.493 18329 984 1 2 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.906 0.294 18329 985 1 2 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.671 -1.371 18329 986 1 2 . 1 1 13 13 GLU H H 36 8.610 8.610 8.286 0.324 18329 987 1 2 . 1 1 14 14 ARG N N 37 121.100 121.100 119.900 1.200 18329 988 1 2 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.063 0.177 18329 989 1 2 . 1 1 14 14 ARG C C 37 178.100 178.100 178.746 -0.646 18329 990 1 2 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.511 -1.011 18329 991 1 2 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.349 -0.149 18329 992 1 2 . 1 1 14 14 ARG H H 37 7.980 7.980 8.438 -0.458 18329 993 1 2 . 1 1 15 15 SER N N 38 115.420 115.420 114.932 0.488 18329 994 1 2 . 1 1 15 15 SER HA H 38 4.380 4.380 4.452 -0.072 18329 995 1 2 . 1 1 15 15 SER C C 38 177.300 177.300 175.953 1.347 18329 996 1 2 . 1 1 15 15 SER CA C 38 62.200 62.200 60.822 1.378 18329 997 1 2 . 1 1 15 15 SER CB C 38 63.200 63.200 63.450 -0.250 18329 998 1 2 . 1 1 15 15 SER H H 38 8.230 8.230 8.309 -0.079 18329 999 1 2 . 1 1 16 16 ALA N N 39 123.970 123.970 123.873 0.097 18329 1000 1 2 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.224 -0.594 18329 1001 1 2 . 1 1 16 16 ALA C C 39 179.500 179.500 179.361 0.139 18329 1002 1 2 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.633 0.067 18329 1003 1 2 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.528 -0.528 18329 1004 1 2 . 1 1 16 16 ALA H H 39 8.280 8.280 8.101 0.179 18329 1005 1 2 . 1 1 17 17 LYS N N 40 121.690 121.690 119.467 2.223 18329 1006 1 2 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.009 0.081 18329 1007 1 2 . 1 1 17 17 LYS C C 40 178.000 178.000 177.848 0.152 18329 1008 1 2 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.348 -0.948 18329 1009 1 2 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.267 -0.467 18329 1010 1 2 . 1 1 17 17 LYS H H 40 7.930 7.930 8.311 -0.381 18329 1011 1 2 . 1 1 18 18 ASP N N 41 118.730 118.730 119.070 -0.340 18329 1012 1 2 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.479 -0.119 18329 1013 1 2 . 1 1 18 18 ASP C C 41 179.900 179.900 178.738 1.162 18329 1014 1 2 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.849 0.852 18329 1015 1 2 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.329 -0.729 18329 1016 1 2 . 1 1 18 18 ASP H H 41 8.320 8.320 7.668 0.652 18329 1017 1 2 . 1 1 19 19 ILE N N 42 118.180 118.180 120.103 -1.923 18329 1018 1 2 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.743 -0.053 18329 1019 1 2 . 1 1 19 19 ILE C C 42 177.400 177.400 177.834 -0.434 18329 1020 1 2 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.399 -0.199 18329 1021 1 2 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.868 0.032 18329 1022 1 2 . 1 1 19 19 ILE H H 42 7.420 7.420 7.822 -0.402 18329 1023 1 2 . 1 1 20 20 THR N N 43 113.360 113.360 111.785 1.575 18329 1024 1 2 . 1 1 20 20 THR HA H 43 3.770 3.770 4.023 -0.253 18329 1025 1 2 . 1 1 20 20 THR C C 43 177.800 177.800 176.242 1.558 18329 1026 1 2 . 1 1 20 20 THR CA C 43 66.400 66.400 65.392 1.008 18329 1027 1 2 . 1 1 20 20 THR CB C 43 67.400 67.400 68.583 -1.183 18329 1028 1 2 . 1 1 20 20 THR H H 43 7.610 7.610 7.550 0.060 18329 1029 1 2 . 1 1 21 21 ASP N N 44 123.650 123.650 121.974 1.676 18329 1030 1 2 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.402 0.008 18329 1031 1 2 . 1 1 21 21 ASP C C 44 179.200 179.200 178.033 1.167 18329 1032 1 2 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.172 0.028 18329 1033 1 2 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.724 -1.124 18329 1034 1 2 . 1 1 21 21 ASP H H 44 9.260 9.260 8.063 1.197 18329 1035 1 2 . 1 1 22 22 GLU N N 45 123.560 123.560 118.740 4.820 18329 1036 1 2 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.128 0.242 18329 1037 1 2 . 1 1 22 22 GLU C C 45 178.500 178.500 179.371 -0.871 18329 1038 1 2 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.942 -0.742 18329 1039 1 2 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.738 -0.538 18329 1040 1 2 . 1 1 22 22 GLU H H 45 7.750 7.750 7.822 -0.072 18329 1041 1 2 . 1 1 23 23 ILE N N 46 119.940 119.940 115.111 4.829 18329 1042 1 2 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.791 -0.171 18329 1043 1 2 . 1 1 23 23 ILE C C 46 177.600 177.600 177.541 0.059 18329 1044 1 2 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.176 1.424 18329 1045 1 2 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.455 -0.454 18329 1046 1 2 . 1 1 23 23 ILE H H 46 8.360 8.360 7.298 1.062 18329 1047 1 2 . 1 1 24 24 ASP N N 47 120.730 120.730 121.640 -0.910 18329 1048 1 2 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.383 0.017 18329 1049 1 2 . 1 1 24 24 ASP C C 47 178.900 178.900 178.278 0.622 18329 1050 1 2 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.406 0.094 18329 1051 1 2 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.125 -0.225 18329 1052 1 2 . 1 1 24 24 ASP H H 47 8.280 8.280 8.047 0.233 18329 1053 1 2 . 1 1 25 25 ALA N N 48 123.870 123.870 121.156 2.714 18329 1054 1 2 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.052 0.068 18329 1055 1 2 . 1 1 25 25 ALA C C 48 180.400 180.400 179.294 1.106 18329 1056 1 2 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.904 0.596 18329 1057 1 2 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.414 -0.614 18329 1058 1 2 . 1 1 25 25 ALA H H 48 7.880 7.880 7.517 0.363 18329 1059 1 2 . 1 1 26 26 ILE N N 49 121.970 121.970 117.735 4.235 18329 1060 1 2 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.884 -0.154 18329 1061 1 2 . 1 1 26 26 ILE C C 49 178.400 178.400 178.123 0.277 18329 1062 1 2 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.677 1.223 18329 1063 1 2 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.747 -0.247 18329 1064 1 2 . 1 1 26 26 ILE H H 49 8.710 8.710 7.483 1.227 18329 1065 1 2 . 1 1 27 27 LYS N N 50 119.820 119.820 120.029 -0.209 18329 1066 1 2 . 1 1 27 27 LYS HA H 50 3.880 3.880 4.152 -0.272 18329 1067 1 2 . 1 1 27 27 LYS C C 50 179.900 179.900 179.219 0.681 18329 1068 1 2 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.772 0.628 18329 1069 1 2 . 1 1 27 27 LYS CB C 50 31.900 31.900 32.106 -0.206 18329 1070 1 2 . 1 1 27 27 LYS H H 50 8.540 8.540 7.897 0.643 18329 1071 1 2 . 1 1 28 28 LYS N N 51 121.960 121.960 118.822 3.138 18329 1072 1 2 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.059 0.031 18329 1073 1 2 . 1 1 28 28 LYS C C 51 179.200 179.200 179.052 0.148 18329 1074 1 2 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.321 -0.021 18329 1075 1 2 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.336 -0.936 18329 1076 1 2 . 1 1 28 28 LYS H H 51 8.070 8.070 7.582 0.488 18329 1077 1 2 . 1 1 29 29 ASP N N 52 121.710 121.710 119.604 2.106 18329 1078 1 2 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.493 -0.023 18329 1079 1 2 . 1 1 29 29 ASP C C 52 178.500 178.500 178.586 -0.086 18329 1080 1 2 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.857 0.143 18329 1081 1 2 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.314 0.686 18329 1082 1 2 . 1 1 29 29 ASP H H 52 8.340 8.340 7.856 0.484 18329 1083 1 2 . 1 1 30 30 ALA N N 53 121.990 121.990 121.618 0.372 18329 1084 1 2 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.096 -0.756 18329 1085 1 2 . 1 1 30 30 ALA C C 53 179.500 179.500 179.397 0.103 18329 1086 1 2 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.663 0.438 18329 1087 1 2 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.431 -0.331 18329 1088 1 2 . 1 1 30 30 ALA H H 53 8.800 8.800 7.917 0.883 18329 1089 1 2 . 1 1 31 31 ALA N N 54 119.970 119.970 121.888 -1.918 18329 1090 1 2 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.103 0.047 18329 1091 1 2 . 1 1 31 31 ALA C C 54 181.600 181.600 178.515 3.085 18329 1092 1 2 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.338 0.362 18329 1093 1 2 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.330 -0.530 18329 1094 1 2 . 1 1 31 31 ALA H H 54 7.730 7.730 7.567 0.163 18329 1095 1 2 . 1 1 32 32 LEU N N 55 119.660 119.660 116.535 3.125 18329 1096 1 2 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.057 0.083 18329 1097 1 2 . 1 1 32 32 LEU C C 55 179.100 179.100 177.030 2.070 18329 1098 1 2 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.638 0.362 18329 1099 1 2 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.573 0.327 18329 1100 1 2 . 1 1 32 32 LEU H H 55 7.660 7.660 7.599 0.061 18329 1101 1 2 . 1 1 33 33 LYS N N 56 117.160 117.160 117.301 -0.141 18329 1102 1 2 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.498 -0.288 18329 1103 1 2 . 1 1 33 33 LYS C C 56 176.600 176.600 176.795 -0.195 18329 1104 1 2 . 1 1 33 33 LYS CA C 56 56.100 56.100 55.062 1.038 18329 1105 1 2 . 1 1 33 33 LYS CB C 56 33.200 33.200 34.513 -1.313 18329 1106 1 2 . 1 1 33 33 LYS H H 56 7.610 7.610 7.590 0.020 18329 1107 1 2 . 1 1 34 34 GLY N N 57 108.680 108.680 111.643 -2.963 18329 1108 1 2 . 1 1 34 34 GLY C C 57 174.400 174.400 173.838 0.562 18329 1109 1 2 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.216 0.984 18329 1110 1 2 . 1 1 34 34 GLY H H 57 7.710 7.710 8.681 -0.971 18329 1111 1 2 . 1 1 35 35 VAL N N 58 121.000 121.000 120.419 0.581 18329 1112 1 2 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.241 -0.341 18329 1113 1 2 . 1 1 35 35 VAL C C 58 174.200 174.200 174.943 -0.743 18329 1114 1 2 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.844 0.656 18329 1115 1 2 . 1 1 35 35 VAL CB C 58 32.800 32.800 33.769 -0.969 18329 1116 1 2 . 1 1 35 35 VAL H H 58 7.990 7.990 7.738 0.252 18329 1117 1 2 . 1 1 36 36 ASN N N 59 124.960 124.960 125.679 -0.719 18329 1118 1 2 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.829 -0.159 18329 1119 1 2 . 1 1 36 36 ASN C C 59 175.700 175.700 175.562 0.138 18329 1120 1 2 . 1 1 36 36 ASN CA C 59 51.600 51.600 52.585 -0.985 18329 1121 1 2 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.954 0.146 18329 1122 1 2 . 1 1 36 36 ASN H H 59 8.460 8.460 8.338 0.122 18329 1123 1 2 . 1 1 37 37 PHE N N 60 124.460 124.460 120.308 4.152 18329 1124 1 2 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.331 -0.191 18329 1125 1 2 . 1 1 37 37 PHE C C 60 177.000 177.000 175.322 1.678 18329 1126 1 2 . 1 1 37 37 PHE CA C 60 60.400 60.400 59.621 0.779 18329 1127 1 2 . 1 1 37 37 PHE CB C 60 39.200 39.200 38.443 0.757 18329 1128 1 2 . 1 1 37 37 PHE H H 60 8.780 8.780 8.553 0.227 18329 1129 1 2 . 1 1 38 38 ASP N N 61 119.270 119.270 116.818 2.452 18329 1130 1 2 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.107 0.383 18329 1131 1 2 . 1 1 38 38 ASP C C 61 177.000 177.000 175.302 1.698 18329 1132 1 2 . 1 1 38 38 ASP CA C 61 55.500 55.500 56.828 -1.328 18329 1133 1 2 . 1 1 38 38 ASP CB C 61 40.000 40.000 39.788 0.213 18329 1134 1 2 . 1 1 38 38 ASP H H 61 8.400 8.400 8.319 0.081 18329 1135 1 2 . 1 1 39 39 ALA N N 62 122.020 122.020 121.364 0.656 18329 1136 1 2 . 1 1 39 39 ALA HA H 62 4.200 4.200 3.745 0.455 18329 1137 1 2 . 1 1 39 39 ALA C C 62 178.300 178.300 177.247 1.053 18329 1138 1 2 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.144 0.756 18329 1139 1 2 . 1 1 39 39 ALA CB C 62 18.500 18.500 17.721 0.779 18329 1140 1 2 . 1 1 39 39 ALA H H 62 7.740 7.740 8.182 -0.442 18329 1141 1 2 . 1 1 40 40 PHE N N 63 116.940 116.940 120.128 -3.188 18329 1142 1 2 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.204 0.176 18329 1143 1 2 . 1 1 40 40 PHE C C 63 176.100 176.100 176.289 -0.189 18329 1144 1 2 . 1 1 40 40 PHE CA C 63 58.300 58.300 58.909 -0.609 18329 1145 1 2 . 1 1 40 40 PHE CB C 63 38.800 38.800 39.285 -0.485 18329 1146 1 2 . 1 1 40 40 PHE H H 63 7.730 7.730 7.679 0.051 18329 1147 1 2 . 1 1 41 41 LYS N N 64 119.840 119.840 121.825 -1.985 18329 1148 1 2 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.445 -0.225 18329 1149 1 2 . 1 1 41 41 LYS C C 64 176.100 176.100 175.946 0.154 18329 1150 1 2 . 1 1 41 41 LYS CA C 64 56.600 56.600 56.504 0.096 18329 1151 1 2 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.279 -0.379 18329 1152 1 2 . 1 1 41 41 LYS H H 64 7.650 7.650 8.515 -0.865 18329 1153 1 2 . 1 1 42 42 ASP N N 65 120.770 120.770 118.005 2.765 18329 1154 1 2 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.611 -0.040 18329 1155 1 2 . 1 1 42 42 ASP C C 65 176.100 176.100 176.567 -0.467 18329 1156 1 2 . 1 1 42 42 ASP CA C 65 54.200 54.200 54.868 -0.668 18329 1157 1 2 . 1 1 42 42 ASP CB C 65 40.900 40.900 40.748 0.152 18329 1158 1 2 . 1 1 42 42 ASP H H 65 8.030 8.030 8.350 -0.320 18329 1159 1 2 . 1 1 43 43 LYS N N 66 122.070 122.070 120.852 1.218 18329 1160 1 2 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.140 0.140 18329 1161 1 2 . 1 1 43 43 LYS C C 66 176.800 176.800 176.829 -0.029 18329 1162 1 2 . 1 1 43 43 LYS CA C 66 56.500 56.500 57.139 -0.639 18329 1163 1 2 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.577 0.223 18329 1164 1 2 . 1 1 43 43 LYS H H 66 8.180 8.180 8.369 -0.189 18329 1165 1 2 . 1 1 44 44 LYS N N 67 122.170 122.170 119.468 2.702 18329 1166 1 2 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.173 0.177 18329 1167 1 2 . 1 1 44 44 LYS C C 67 177.000 177.000 177.240 -0.240 18329 1168 1 2 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.948 -0.348 18329 1169 1 2 . 1 1 44 44 LYS CB C 67 32.800 32.800 33.085 -0.285 18329 1170 1 2 . 1 1 44 44 LYS H H 67 8.460 8.460 7.814 0.646 18329 1171 1 2 . 1 1 45 45 THR N N 68 114.390 114.390 119.445 -5.055 18329 1172 1 2 . 1 1 45 45 THR HA H 68 4.330 4.330 4.460 -0.130 18329 1173 1 2 . 1 1 45 45 THR C C 68 175.200 175.200 175.449 -0.249 18329 1174 1 2 . 1 1 45 45 THR CA C 68 62.000 62.000 62.177 -0.177 18329 1175 1 2 . 1 1 45 45 THR CB C 68 69.900 69.900 69.939 -0.039 18329 1176 1 2 . 1 1 45 45 THR H H 68 8.120 8.120 8.312 -0.192 18329 1177 1 2 . 1 1 46 46 GLY N N 69 111.200 111.200 109.073 2.127 18329 1178 1 2 . 1 1 46 46 GLY CA C 69 45.200 45.200 44.641 0.560 18329 1179 1 2 . 1 1 46 46 GLY H H 69 8.450 8.450 8.452 -0.002 18329 1180 1 2 . 1 1 47 47 SER CA C 70 58.400 58.400 58.411 -0.011 18329 1181 1 2 . 1 1 47 47 SER CB C 70 64.000 64.000 63.868 0.132 18329 1182 1 2 . 1 1 48 48 GLY N N 71 111.200 111.200 112.275 -1.075 18329 1183 1 2 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.201 -1.201 18329 1184 1 2 . 1 1 48 48 GLY H H 71 8.580 8.580 8.598 -0.018 18329 1185 1 2 . 1 1 49 49 VAL N N 72 118.910 118.910 118.873 0.037 18329 1186 1 2 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.048 0.082 18329 1187 1 2 . 1 1 49 49 VAL C C 72 176.100 176.100 176.506 -0.406 18329 1188 1 2 . 1 1 49 49 VAL CA C 72 62.100 62.100 62.541 -0.441 18329 1189 1 2 . 1 1 49 49 VAL CB C 72 32.500 32.500 32.767 -0.267 18329 1190 1 2 . 1 1 49 49 VAL H H 72 7.860 7.860 7.497 0.363 18329 1191 1 2 . 1 1 50 50 SER N N 73 118.500 118.500 116.627 1.873 18329 1192 1 2 . 1 1 50 50 SER C C 73 176.100 176.100 173.297 2.803 18329 1193 1 2 . 1 1 50 50 SER CA C 73 58.300 58.300 58.567 -0.267 18329 1194 1 2 . 1 1 50 50 SER CB C 73 63.800 63.800 61.857 1.943 18329 1195 1 2 . 1 1 50 50 SER H H 73 8.300 8.300 8.429 -0.129 18329 1196 1 2 . 1 1 51 51 GLU N N 74 122.560 122.560 122.703 -0.143 18329 1197 1 2 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.491 -0.221 18329 1198 1 2 . 1 1 51 51 GLU CA C 74 55.700 55.700 56.228 -0.528 18329 1199 1 2 . 1 1 51 51 GLU CB C 74 30.500 30.500 32.770 -2.270 18329 1200 1 2 . 1 1 51 51 GLU H H 74 8.360 8.360 7.954 0.406 18329 1201 1 2 . 1 1 52 52 ASN N N 75 122.830 122.830 119.540 3.290 18329 1202 1 2 . 1 1 52 52 ASN HA H 75 4.820 4.820 5.056 -0.236 18329 1203 1 2 . 1 1 52 52 ASN C C 75 174.800 174.800 174.534 0.266 18329 1204 1 2 . 1 1 52 52 ASN CA C 75 51.400 51.400 51.695 -0.295 18329 1205 1 2 . 1 1 52 52 ASN CB C 75 39.200 39.200 38.836 0.364 18329 1206 1 2 . 1 1 52 52 ASN H H 75 8.450 8.450 8.517 -0.067 18329 1207 1 2 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.511 -0.331 18329 1208 1 2 . 1 1 53 53 PRO CA C 76 65.200 65.200 63.863 1.337 18329 1209 1 2 . 1 1 53 53 PRO CB C 76 32.000 32.000 32.000 -0.000 18329 1210 1 2 . 1 1 54 54 PHE N N 77 118.060 118.060 121.137 -3.077 18329 1211 1 2 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.199 0.071 18329 1212 1 2 . 1 1 54 54 PHE C C 77 177.500 177.500 176.929 0.571 18329 1213 1 2 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.858 -0.357 18329 1214 1 2 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.289 0.111 18329 1215 1 2 . 1 1 54 54 PHE H H 77 8.430 8.430 7.940 0.490 18329 1216 1 2 . 1 1 55 55 ILE N N 78 119.350 119.350 118.357 0.993 18329 1217 1 2 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.699 -0.199 18329 1218 1 2 . 1 1 55 55 ILE C C 78 177.400 177.400 177.021 0.379 18329 1219 1 2 . 1 1 55 55 ILE CA C 78 63.500 63.500 63.428 0.072 18329 1220 1 2 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.803 -0.803 18329 1221 1 2 . 1 1 55 55 ILE H H 78 7.540 7.540 7.968 -0.428 18329 1222 1 2 . 1 1 56 56 LEU N N 79 118.450 118.450 120.295 -1.845 18329 1223 1 2 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.054 0.096 18329 1224 1 2 . 1 1 56 56 LEU C C 79 179.200 179.200 179.159 0.041 18329 1225 1 2 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.336 -0.536 18329 1226 1 2 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.825 -0.725 18329 1227 1 2 . 1 1 56 56 LEU H H 79 7.260 7.260 7.580 -0.320 18329 1228 1 2 . 1 1 57 57 GLU N N 80 117.980 117.980 118.848 -0.868 18329 1229 1 2 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.860 -0.210 18329 1230 1 2 . 1 1 57 57 GLU C C 80 178.700 178.700 178.882 -0.182 18329 1231 1 2 . 1 1 57 57 GLU CA C 80 59.300 59.300 59.120 0.180 18329 1232 1 2 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.154 0.346 18329 1233 1 2 . 1 1 57 57 GLU H H 80 7.890 7.890 7.863 0.027 18329 1234 1 2 . 1 1 58 58 ALA N N 81 122.040 122.040 122.301 -0.261 18329 1235 1 2 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.974 -0.174 18329 1236 1 2 . 1 1 58 58 ALA C C 81 179.500 179.500 178.522 0.978 18329 1237 1 2 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.697 0.503 18329 1238 1 2 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.027 0.773 18329 1239 1 2 . 1 1 58 58 ALA H H 81 8.400 8.400 7.629 0.771 18329 1240 1 2 . 1 1 59 59 LYS N N 82 116.000 116.000 118.092 -2.092 18329 1241 1 2 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.096 -0.246 18329 1242 1 2 . 1 1 59 59 LYS C C 82 180.300 180.300 178.427 1.873 18329 1243 1 2 . 1 1 59 59 LYS CA C 82 61.100 61.100 58.887 2.213 18329 1244 1 2 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.403 -0.203 18329 1245 1 2 . 1 1 59 59 LYS H H 82 8.000 8.000 7.509 0.491 18329 1246 1 2 . 1 1 60 60 VAL N N 83 122.920 122.920 119.286 3.634 18329 1247 1 2 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.703 -0.373 18329 1248 1 2 . 1 1 60 60 VAL C C 83 178.300 178.300 178.300 0.000 18329 1249 1 2 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.951 1.949 18329 1250 1 2 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.680 -0.480 18329 1251 1 2 . 1 1 60 60 VAL H H 83 8.110 8.110 7.644 0.466 18329 1252 1 2 . 1 1 61 61 ARG N N 84 121.770 121.770 119.307 2.463 18329 1253 1 2 . 1 1 61 61 ARG C C 84 179.500 179.500 178.428 1.072 18329 1254 1 2 . 1 1 61 61 ARG CA C 84 59.200 59.200 58.752 0.448 18329 1255 1 2 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.177 1.623 18329 1256 1 2 . 1 1 61 61 ARG H H 84 8.710 8.710 7.644 1.066 18329 1257 1 2 . 1 1 62 62 ALA N N 85 119.450 119.450 121.576 -2.126 18329 1258 1 2 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.112 -0.222 18329 1259 1 2 . 1 1 62 62 ALA C C 85 179.500 179.500 179.015 0.485 18329 1260 1 2 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.272 -0.272 18329 1261 1 2 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.452 0.548 18329 1262 1 2 . 1 1 62 62 ALA H H 85 8.700 8.700 7.595 1.105 18329 1263 1 2 . 1 1 63 63 THR N N 86 106.650 106.650 111.107 -4.457 18329 1264 1 2 . 1 1 63 63 THR HA H 86 3.970 3.970 3.992 -0.022 18329 1265 1 2 . 1 1 63 63 THR C C 86 177.700 177.700 177.106 0.594 18329 1266 1 2 . 1 1 63 63 THR CA C 86 66.000 66.000 66.236 -0.236 18329 1267 1 2 . 1 1 63 63 THR CB C 86 68.200 68.200 68.704 -0.504 18329 1268 1 2 . 1 1 63 63 THR H H 86 8.150 8.150 7.793 0.357 18329 1269 1 2 . 1 1 64 64 THR N N 87 120.430 120.430 119.967 0.463 18329 1270 1 2 . 1 1 64 64 THR HA H 87 4.050 4.050 4.000 0.050 18329 1271 1 2 . 1 1 64 64 THR C C 87 176.800 176.800 176.270 0.530 18329 1272 1 2 . 1 1 64 64 THR CA C 87 67.300 67.300 66.661 0.639 18329 1273 1 2 . 1 1 64 64 THR CB C 87 68.600 68.600 68.913 -0.313 18329 1274 1 2 . 1 1 64 64 THR H H 87 7.920 7.920 7.738 0.182 18329 1275 1 2 . 1 1 65 65 VAL N N 88 119.230 119.230 120.920 -1.690 18329 1276 1 2 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.749 0.231 18329 1277 1 2 . 1 1 65 65 VAL C C 88 178.500 178.500 177.571 0.929 18329 1278 1 2 . 1 1 65 65 VAL CA C 88 65.600 65.600 65.948 -0.348 18329 1279 1 2 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.255 0.445 18329 1280 1 2 . 1 1 65 65 VAL H H 88 7.380 7.380 7.488 -0.108 18329 1281 1 2 . 1 1 66 66 ALA N N 89 124.260 124.260 121.458 2.802 18329 1282 1 2 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.965 0.285 18329 1283 1 2 . 1 1 66 66 ALA C C 89 179.900 179.900 179.455 0.445 18329 1284 1 2 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.292 -0.392 18329 1285 1 2 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.091 1.409 18329 1286 1 2 . 1 1 66 66 ALA H H 89 8.390 8.390 7.953 0.437 18329 1287 1 2 . 1 1 67 67 GLU N N 90 120.180 120.180 118.312 1.868 18329 1288 1 2 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.988 -0.268 18329 1289 1 2 . 1 1 67 67 GLU C C 90 177.600 177.600 178.720 -1.120 18329 1290 1 2 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.915 -0.015 18329 1291 1 2 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.400 -1.100 18329 1292 1 2 . 1 1 67 67 GLU H H 90 8.520 8.520 8.152 0.368 18329 1293 1 2 . 1 1 68 68 LYS N N 91 116.340 116.340 117.694 -1.354 18329 1294 1 2 . 1 1 68 68 LYS HA H 91 3.960 3.960 3.993 -0.033 18329 1295 1 2 . 1 1 68 68 LYS C C 91 179.200 179.200 178.837 0.363 18329 1296 1 2 . 1 1 68 68 LYS CA C 91 59.800 59.800 59.156 0.644 18329 1297 1 2 . 1 1 68 68 LYS CB C 91 32.000 32.000 31.991 0.009 18329 1298 1 2 . 1 1 68 68 LYS H H 91 7.210 7.210 7.703 -0.493 18329 1299 1 2 . 1 1 69 69 PHE N N 92 120.990 120.990 119.193 1.797 18329 1300 1 2 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.210 0.300 18329 1301 1 2 . 1 1 69 69 PHE C C 92 175.100 175.100 176.719 -1.619 18329 1302 1 2 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.151 -1.351 18329 1303 1 2 . 1 1 69 69 PHE CB C 92 39.200 39.200 38.966 0.234 18329 1304 1 2 . 1 1 69 69 PHE H H 92 7.180 7.180 7.542 -0.362 18329 1305 1 2 . 1 1 70 70 VAL N N 93 120.330 120.330 119.403 0.927 18329 1306 1 2 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.549 -0.459 18329 1307 1 2 . 1 1 70 70 VAL C C 93 177.500 177.500 177.709 -0.209 18329 1308 1 2 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.681 0.219 18329 1309 1 2 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.389 0.011 18329 1310 1 2 . 1 1 70 70 VAL H H 93 7.930 7.930 7.545 0.385 18329 1311 1 2 . 1 1 71 71 ILE N N 94 120.410 120.410 119.468 0.942 18329 1312 1 2 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.575 0.255 18329 1313 1 2 . 1 1 71 71 ILE C C 94 177.700 177.700 177.900 -0.200 18329 1314 1 2 . 1 1 71 71 ILE CA C 94 65.000 65.000 65.373 -0.373 18329 1315 1 2 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.325 -0.025 18329 1316 1 2 . 1 1 71 71 ILE H H 94 8.180 8.180 7.419 0.761 18329 1317 1 2 . 1 1 72 72 ALA N N 95 122.440 122.440 121.741 0.699 18329 1318 1 2 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.914 0.046 18329 1319 1 2 . 1 1 72 72 ALA C C 95 179.600 179.600 179.391 0.209 18329 1320 1 2 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.152 0.748 18329 1321 1 2 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.996 -0.796 18329 1322 1 2 . 1 1 72 72 ALA H H 95 7.340 7.340 7.543 -0.203 18329 1323 1 2 . 1 1 73 73 ILE N N 96 119.330 119.330 117.986 1.344 18329 1324 1 2 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.663 -0.223 18329 1325 1 2 . 1 1 73 73 ILE C C 96 177.400 177.400 177.847 -0.447 18329 1326 1 2 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.141 -0.341 18329 1327 1 2 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.403 -2.003 18329 1328 1 2 . 1 1 73 73 ILE H H 96 7.820 7.820 7.531 0.289 18329 1329 1 2 . 1 1 74 74 GLU N N 97 118.440 118.440 121.333 -2.893 18329 1330 1 2 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.848 -0.158 18329 1331 1 2 . 1 1 74 74 GLU C C 97 180.500 180.500 178.876 1.624 18329 1332 1 2 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.861 -0.161 18329 1333 1 2 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.360 0.340 18329 1334 1 2 . 1 1 74 74 GLU H H 97 8.380 8.380 7.761 0.619 18329 1335 1 2 . 1 1 75 75 GLU N N 98 120.470 120.470 118.420 2.050 18329 1336 1 2 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.043 -0.103 18329 1337 1 2 . 1 1 75 75 GLU C C 98 180.600 180.600 179.329 1.271 18329 1338 1 2 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.171 0.529 18329 1339 1 2 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.215 0.985 18329 1340 1 2 . 1 1 75 75 GLU H H 98 8.800 8.800 7.744 1.056 18329 1341 1 2 . 1 1 76 76 GLU N N 99 119.230 119.230 118.875 0.355 18329 1342 1 2 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.082 0.058 18329 1343 1 2 . 1 1 76 76 GLU C C 99 178.900 178.900 178.920 -0.020 18329 1344 1 2 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.714 -0.114 18329 1345 1 2 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.328 -0.029 18329 1346 1 2 . 1 1 76 76 GLU H H 99 8.840 8.840 7.732 1.108 18329 1347 1 2 . 1 1 77 77 ALA N N 100 121.950 121.950 121.748 0.202 18329 1348 1 2 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.215 -0.215 18329 1349 1 2 . 1 1 77 77 ALA C C 100 179.000 179.000 179.410 -0.410 18329 1350 1 2 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.066 1.234 18329 1351 1 2 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.293 -1.493 18329 1352 1 2 . 1 1 77 77 ALA H H 100 9.400 9.400 7.971 1.429 18329 1353 1 2 . 1 1 78 78 THR N N 101 111.820 111.820 113.723 -1.903 18329 1354 1 2 . 1 1 78 78 THR HA H 101 3.750 3.750 3.976 -0.226 18329 1355 1 2 . 1 1 78 78 THR CA C 101 67.500 67.500 66.962 0.538 18329 1356 1 2 . 1 1 78 78 THR CB C 101 68.600 68.600 68.602 -0.002 18329 1357 1 2 . 1 1 78 78 THR H H 101 7.770 7.770 7.689 0.081 18329 1358 1 2 . 1 1 79 79 LYS N N 102 122.940 122.940 117.026 5.914 18329 1359 1 2 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.181 -0.091 18329 1360 1 2 . 1 1 79 79 LYS CA C 102 59.200 59.200 57.913 1.288 18329 1361 1 2 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.015 0.485 18329 1362 1 2 . 1 1 79 79 LYS H H 102 7.870 7.870 7.869 0.001 18329 1363 1 2 . 1 1 80 80 LEU N N 103 117.690 117.690 116.157 1.533 18329 1364 1 2 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.558 -0.068 18329 1365 1 2 . 1 1 80 80 LEU C C 103 178.140 178.140 177.426 0.714 18329 1366 1 2 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.509 -0.509 18329 1367 1 2 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.889 0.211 18329 1368 1 2 . 1 1 80 80 LEU H H 103 7.550 7.550 7.538 0.012 18329 1369 1 2 . 1 1 81 81 LYS N N 104 122.210 122.210 120.548 1.662 18329 1370 1 2 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.859 0.071 18329 1371 1 2 . 1 1 81 81 LYS C C 104 178.000 178.000 177.513 0.487 18329 1372 1 2 . 1 1 81 81 LYS CA C 104 61.300 61.300 59.255 2.045 18329 1373 1 2 . 1 1 81 81 LYS CB C 104 32.800 32.800 32.462 0.337 18329 1374 1 2 . 1 1 81 81 LYS H H 104 7.500 7.500 8.072 -0.572 18329 1375 1 2 . 1 1 82 82 GLU N N 105 114.920 114.920 116.463 -1.543 18329 1376 1 2 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.199 0.361 18329 1377 1 2 . 1 1 82 82 GLU C C 105 177.900 177.900 177.918 -0.018 18329 1378 1 2 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.487 0.173 18329 1379 1 2 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.843 0.557 18329 1380 1 2 . 1 1 82 82 GLU H H 105 8.780 8.780 8.249 0.531 18329 1381 1 2 . 1 1 83 83 THR N N 106 107.260 107.260 114.516 -7.256 18329 1382 1 2 . 1 1 83 83 THR HA H 106 4.550 4.550 4.075 0.475 18329 1383 1 2 . 1 1 83 83 THR C C 106 176.300 176.300 175.003 1.297 18329 1384 1 2 . 1 1 83 83 THR CA C 106 61.900 61.900 64.829 -2.929 18329 1385 1 2 . 1 1 83 83 THR CB C 106 70.400 70.400 68.975 1.425 18329 1386 1 2 . 1 1 83 83 THR H H 106 7.570 7.570 8.240 -0.670 18329 1387 1 2 . 1 1 84 84 GLY N N 107 112.110 112.110 106.815 5.295 18329 1388 1 2 . 1 1 84 84 GLY C C 107 172.800 172.800 173.102 -0.302 18329 1389 1 2 . 1 1 84 84 GLY CA C 107 45.400 45.400 44.709 0.691 18329 1390 1 2 . 1 1 84 84 GLY H H 107 9.000 9.000 7.998 1.002 18329 1391 1 2 . 1 1 85 85 SER N N 108 119.030 119.030 116.270 2.760 18329 1392 1 2 . 1 1 85 85 SER CA C 108 56.300 56.300 56.414 -0.114 18329 1393 1 2 . 1 1 85 85 SER CB C 108 66.300 66.300 64.737 1.563 18329 1394 1 2 . 1 1 85 85 SER H H 108 8.950 8.950 8.244 0.706 18329 1395 1 2 . 1 1 86 86 SER HA H 109 4.480 4.480 4.512 -0.032 18329 1396 1 2 . 1 1 86 86 SER C C 109 177.000 177.000 176.606 0.394 18329 1397 1 2 . 1 1 86 86 SER CA C 109 61.600 61.600 60.970 0.630 18329 1398 1 2 . 1 1 86 86 SER CB C 109 62.900 62.900 62.604 0.296 18329 1399 1 2 . 1 1 87 87 GLY N N 110 108.100 108.100 110.362 -2.262 18329 1400 1 2 . 1 1 87 87 GLY C C 110 177.100 177.100 175.480 1.620 18329 1401 1 2 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.897 -0.697 18329 1402 1 2 . 1 1 87 87 GLY H H 110 8.480 8.480 8.005 0.475 18329 1403 1 2 . 1 1 88 88 GLU N N 111 123.040 123.040 123.012 0.028 18329 1404 1 2 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.014 -0.324 18329 1405 1 2 . 1 1 88 88 GLU C C 111 177.700 177.700 178.659 -0.959 18329 1406 1 2 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.842 0.658 18329 1407 1 2 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.167 -0.467 18329 1408 1 2 . 1 1 88 88 GLU H H 111 7.560 7.560 7.413 0.147 18329 1409 1 2 . 1 1 89 89 PHE N N 112 118.270 118.270 118.223 0.047 18329 1410 1 2 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.339 0.081 18329 1411 1 2 . 1 1 89 89 PHE C C 112 178.600 178.600 178.061 0.539 18329 1412 1 2 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.294 -0.194 18329 1413 1 2 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.472 -0.572 18329 1414 1 2 . 1 1 89 89 PHE H H 112 7.200 7.200 7.516 -0.316 18329 1415 1 2 . 1 1 90 90 SER N N 113 115.980 115.980 116.204 -0.224 18329 1416 1 2 . 1 1 90 90 SER HA H 113 4.290 4.290 4.141 0.149 18329 1417 1 2 . 1 1 90 90 SER C C 113 178.600 178.600 176.301 2.299 18329 1418 1 2 . 1 1 90 90 SER CA C 113 62.700 62.700 62.667 0.033 18329 1419 1 2 . 1 1 90 90 SER CB C 113 62.800 62.800 62.796 0.004 18329 1420 1 2 . 1 1 90 90 SER H H 113 8.830 8.830 8.226 0.604 18329 1421 1 2 . 1 1 91 91 ALA N N 114 123.130 123.130 122.530 0.600 18329 1422 1 2 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.183 0.197 18329 1423 1 2 . 1 1 91 91 ALA C C 114 181.300 181.300 179.092 2.208 18329 1424 1 2 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.611 0.089 18329 1425 1 2 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.465 -0.065 18329 1426 1 2 . 1 1 91 91 ALA H H 114 7.580 7.580 7.824 -0.244 18329 1427 1 2 . 1 1 92 92 MET N N 115 118.700 118.700 119.789 -1.089 18329 1428 1 2 . 1 1 92 92 MET HA H 115 3.980 3.980 4.288 -0.308 18329 1429 1 2 . 1 1 92 92 MET C C 115 178.000 178.000 177.819 0.181 18329 1430 1 2 . 1 1 92 92 MET CA C 115 61.000 61.000 57.943 3.057 18329 1431 1 2 . 1 1 92 92 MET CB C 115 31.400 31.400 32.509 -1.109 18329 1432 1 2 . 1 1 92 92 MET H H 115 7.880 7.880 7.678 0.202 18329 1433 1 2 . 1 1 93 93 TYR N N 116 119.200 119.200 120.766 -1.566 18329 1434 1 2 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.091 0.189 18329 1435 1 2 . 1 1 93 93 TYR C C 116 176.300 176.300 177.281 -0.981 18329 1436 1 2 . 1 1 93 93 TYR CA C 116 62.100 62.100 62.077 0.023 18329 1437 1 2 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.308 -0.008 18329 1438 1 2 . 1 1 93 93 TYR H H 116 7.870 7.870 8.659 -0.789 18329 1439 1 2 . 1 1 94 94 ASP N N 117 120.210 120.210 119.591 0.619 18329 1440 1 2 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.461 -0.271 18329 1441 1 2 . 1 1 94 94 ASP C C 117 179.000 179.000 178.707 0.293 18329 1442 1 2 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.680 0.020 18329 1443 1 2 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.233 -0.233 18329 1444 1 2 . 1 1 94 94 ASP H H 117 8.720 8.720 8.075 0.645 18329 1445 1 2 . 1 1 95 95 LEU N N 118 118.420 118.420 121.539 -3.119 18329 1446 1 2 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.261 -0.051 18329 1447 1 2 . 1 1 95 95 LEU C C 118 178.600 178.600 178.752 -0.152 18329 1448 1 2 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.353 0.347 18329 1449 1 2 . 1 1 95 95 LEU CB C 118 43.100 43.100 42.117 0.983 18329 1450 1 2 . 1 1 95 95 LEU H H 118 7.510 7.510 7.718 -0.208 18329 1451 1 2 . 1 1 96 96 MET N N 119 118.470 118.470 119.457 -0.987 18329 1452 1 2 . 1 1 96 96 MET HA H 119 3.990 3.990 4.038 -0.048 18329 1453 1 2 . 1 1 96 96 MET C C 119 177.500 177.500 177.988 -0.488 18329 1454 1 2 . 1 1 96 96 MET CA C 119 60.500 60.500 57.778 2.722 18329 1455 1 2 . 1 1 96 96 MET CB C 119 33.900 33.900 31.975 1.925 18329 1456 1 2 . 1 1 96 96 MET H H 119 7.820 7.820 7.906 -0.086 18329 1457 1 2 . 1 1 97 97 PHE N N 120 119.580 119.580 120.291 -0.711 18329 1458 1 2 . 1 1 97 97 PHE HA H 120 3.810 3.810 3.976 -0.166 18329 1459 1 2 . 1 1 97 97 PHE C C 120 178.800 178.800 177.215 1.585 18329 1460 1 2 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.858 -0.058 18329 1461 1 2 . 1 1 97 97 PHE CB C 120 39.200 39.200 39.016 0.184 18329 1462 1 2 . 1 1 97 97 PHE H H 120 8.940 8.940 7.887 1.053 18329 1463 1 2 . 1 1 98 98 GLU N N 121 119.940 119.940 118.400 1.540 18329 1464 1 2 . 1 1 98 98 GLU HA H 121 3.880 3.880 3.990 -0.110 18329 1465 1 2 . 1 1 98 98 GLU C C 121 180.800 180.800 178.123 2.677 18329 1466 1 2 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.168 0.632 18329 1467 1 2 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.509 -0.309 18329 1468 1 2 . 1 1 98 98 GLU H H 121 8.690 8.690 8.042 0.648 18329 1469 1 2 . 1 1 99 99 VAL N N 122 115.350 115.350 116.430 -1.080 18329 1470 1 2 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.673 0.067 18329 1471 1 2 . 1 1 99 99 VAL C C 122 176.500 176.500 176.999 -0.499 18329 1472 1 2 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.630 -0.130 18329 1473 1 2 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.973 -0.673 18329 1474 1 2 . 1 1 99 99 VAL H H 122 8.210 8.210 7.583 0.627 18329 1475 1 2 . 1 1 100 100 SER N N 123 115.450 115.450 115.976 -0.526 18329 1476 1 2 . 1 1 100 100 SER HA H 123 4.270 4.270 4.024 0.246 18329 1477 1 2 . 1 1 100 100 SER C C 123 174.700 174.700 175.738 -1.038 18329 1478 1 2 . 1 1 100 100 SER CA C 123 62.000 62.000 61.550 0.450 18329 1479 1 2 . 1 1 100 100 SER H H 123 7.520 7.520 7.971 -0.451 18329 1480 1 2 . 1 1 101 101 LYS N N 124 120.310 120.310 121.307 -0.997 18329 1481 1 2 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.060 -0.090 18329 1482 1 2 . 1 1 101 101 LYS C C 124 176.600 176.600 176.586 0.014 18329 1483 1 2 . 1 1 101 101 LYS CA C 124 61.100 61.100 59.874 1.226 18329 1484 1 2 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.238 -1.738 18329 1485 1 2 . 1 1 101 101 LYS H H 124 6.930 6.930 7.483 -0.553 18329 1486 1 2 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.206 0.054 18329 1487 1 2 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.189 0.011 18329 1488 1 2 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.201 -0.601 18329 1489 1 2 . 1 1 103 103 LEU N N 126 116.020 116.020 118.603 -2.583 18329 1490 1 2 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.068 -0.188 18329 1491 1 2 . 1 1 103 103 LEU C C 126 177.900 177.900 179.083 -1.183 18329 1492 1 2 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.615 0.084 18329 1493 1 2 . 1 1 103 103 LEU CB C 126 41.800 41.800 40.931 0.869 18329 1494 1 2 . 1 1 103 103 LEU H H 126 6.520 6.520 7.530 -1.010 18329 1495 1 2 . 1 1 104 104 GLN N N 127 120.500 120.500 118.896 1.604 18329 1496 1 2 . 1 1 104 104 GLN C C 127 180.600 180.600 178.307 2.293 18329 1497 1 2 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.676 -0.376 18329 1498 1 2 . 1 1 104 104 GLN CB C 127 29.000 29.000 27.718 1.282 18329 1499 1 2 . 1 1 104 104 GLN H H 127 8.160 8.160 7.893 0.267 18329 1500 1 2 . 1 1 105 105 LYS N N 128 120.000 120.000 119.878 0.122 18329 1501 1 2 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.069 -0.019 18329 1502 1 2 . 1 1 105 105 LYS C C 128 177.100 177.100 177.342 -0.242 18329 1503 1 2 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.278 0.222 18329 1504 1 2 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.240 -0.840 18329 1505 1 2 . 1 1 105 105 LYS H H 128 7.810 7.810 7.494 0.316 18329 1506 1 2 . 1 1 106 106 LEU N N 129 118.530 118.530 117.817 0.713 18329 1507 1 2 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.725 -0.755 18329 1508 1 2 . 1 1 106 106 LEU C C 129 175.200 175.200 176.355 -1.155 18329 1509 1 2 . 1 1 106 106 LEU CA C 129 54.500 54.500 54.092 0.408 18329 1510 1 2 . 1 1 106 106 LEU CB C 129 42.400 42.400 42.045 0.355 18329 1511 1 2 . 1 1 106 106 LEU H H 129 7.220 7.220 7.791 -0.571 18329 1512 1 2 . 1 1 107 107 GLY N N 130 101.490 101.490 108.057 -6.567 18329 1513 1 2 . 1 1 107 107 GLY C C 130 174.800 174.800 173.792 1.008 18329 1514 1 2 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.878 0.222 18329 1515 1 2 . 1 1 107 107 GLY H H 130 7.560 7.560 8.056 -0.496 18329 1516 1 2 . 1 1 108 108 ILE N N 131 121.340 121.340 119.947 1.393 18329 1517 1 2 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.696 0.454 18329 1518 1 2 . 1 1 108 108 ILE C C 131 174.300 174.300 175.274 -0.974 18329 1519 1 2 . 1 1 108 108 ILE CA C 131 60.400 60.400 61.536 -1.136 18329 1520 1 2 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.056 -1.856 18329 1521 1 2 . 1 1 108 108 ILE H H 131 7.290 7.290 8.425 -1.135 18329 1522 1 2 . 1 1 109 109 GLN N N 132 125.650 125.650 127.288 -1.638 18329 1523 1 2 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.397 -0.387 18329 1524 1 2 . 1 1 109 109 GLN C C 132 176.800 176.800 175.334 1.466 18329 1525 1 2 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.721 1.879 18329 1526 1 2 . 1 1 109 109 GLN CB C 132 29.000 29.000 28.346 0.654 18329 1527 1 2 . 1 1 109 109 GLN H H 132 8.080 8.080 8.598 -0.518 18329 1528 1 2 . 1 1 110 110 GLU N N 133 114.890 114.890 119.809 -4.919 18329 1529 1 2 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.285 -0.135 18329 1530 1 2 . 1 1 110 110 GLU C C 133 177.100 177.100 176.803 0.297 18329 1531 1 2 . 1 1 110 110 GLU CA C 133 57.100 57.100 56.711 0.389 18329 1532 1 2 . 1 1 110 110 GLU CB C 133 27.300 27.300 29.006 -1.706 18329 1533 1 2 . 1 1 110 110 GLU H H 133 9.270 9.270 8.340 0.930 18329 1534 1 2 . 1 1 111 111 MET N N 134 121.210 121.210 121.327 -0.117 18329 1535 1 2 . 1 1 111 111 MET HA H 134 4.350 4.350 4.093 0.257 18329 1536 1 2 . 1 1 111 111 MET C C 134 177.500 177.500 177.431 0.069 18329 1537 1 2 . 1 1 111 111 MET CA C 134 57.900 57.900 59.611 -1.711 18329 1538 1 2 . 1 1 111 111 MET CB C 134 33.300 33.300 32.418 0.882 18329 1539 1 2 . 1 1 111 111 MET H H 134 7.620 7.620 8.366 -0.746 18329 1540 1 2 . 1 1 112 112 THR N N 135 113.170 113.170 114.693 -1.523 18329 1541 1 2 . 1 1 112 112 THR HA H 135 3.920 3.920 4.108 -0.188 18329 1542 1 2 . 1 1 112 112 THR C C 135 176.400 176.400 176.340 0.060 18329 1543 1 2 . 1 1 112 112 THR CA C 135 65.900 65.900 67.323 -1.423 18329 1544 1 2 . 1 1 112 112 THR CB C 135 68.200 68.200 68.080 0.120 18329 1545 1 2 . 1 1 112 112 THR H H 135 8.320 8.320 8.314 0.006 18329 1546 1 2 . 1 1 113 113 LYS N N 136 123.440 123.440 121.862 1.578 18329 1547 1 2 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.110 -0.180 18329 1548 1 2 . 1 1 113 113 LYS C C 136 177.600 177.600 179.629 -2.029 18329 1549 1 2 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.828 -1.528 18329 1550 1 2 . 1 1 113 113 LYS CB C 136 32.000 32.000 31.560 0.440 18329 1551 1 2 . 1 1 113 113 LYS H H 136 8.060 8.060 8.371 -0.311 18329 1552 1 2 . 1 1 114 114 THR N N 137 114.590 114.590 116.037 -1.447 18329 1553 1 2 . 1 1 114 114 THR HA H 137 4.000 4.000 4.090 -0.090 18329 1554 1 2 . 1 1 114 114 THR C C 137 176.800 176.800 176.751 0.049 18329 1555 1 2 . 1 1 114 114 THR CA C 137 67.600 67.600 67.033 0.567 18329 1556 1 2 . 1 1 114 114 THR CB C 137 69.200 69.200 68.523 0.677 18329 1557 1 2 . 1 1 114 114 THR H H 137 7.950 7.950 8.518 -0.568 18329 1558 1 2 . 1 1 115 115 VAL N N 138 119.080 119.080 121.085 -2.005 18329 1559 1 2 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.727 0.093 18329 1560 1 2 . 1 1 115 115 VAL C C 138 176.900 176.900 178.280 -1.380 18329 1561 1 2 . 1 1 115 115 VAL CA C 138 66.800 66.800 66.555 0.245 18329 1562 1 2 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.285 1.215 18329 1563 1 2 . 1 1 115 115 VAL H H 138 7.320 7.320 7.692 -0.372 18329 1564 1 2 . 1 1 116 116 SER N N 139 116.630 116.630 116.722 -0.092 18329 1565 1 2 . 1 1 116 116 SER HA H 139 4.680 4.680 4.489 0.191 18329 1566 1 2 . 1 1 116 116 SER C C 139 179.000 179.000 176.939 2.061 18329 1567 1 2 . 1 1 116 116 SER CA C 139 61.400 61.400 61.895 -0.495 18329 1568 1 2 . 1 1 116 116 SER CB C 139 62.800 62.800 63.026 -0.226 18329 1569 1 2 . 1 1 116 116 SER H H 139 8.990 8.990 9.044 -0.054 18329 1570 1 2 . 1 1 117 117 ASP N N 140 124.220 124.220 121.625 2.595 18329 1571 1 2 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.464 -0.104 18329 1572 1 2 . 1 1 117 117 ASP C C 140 179.900 179.900 177.184 2.716 18329 1573 1 2 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.706 0.594 18329 1574 1 2 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.446 -0.946 18329 1575 1 2 . 1 1 117 117 ASP H H 140 9.480 9.480 8.599 0.881 18329 1576 1 2 . 1 1 118 118 ALA N N 141 121.420 121.420 120.315 1.105 18329 1577 1 2 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.107 0.173 18329 1578 1 2 . 1 1 118 118 ALA C C 141 179.800 179.800 178.739 1.061 18329 1579 1 2 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.323 0.077 18329 1580 1 2 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.925 0.075 18329 1581 1 2 . 1 1 118 118 ALA H H 141 7.340 7.340 7.695 -0.355 18329 1582 1 2 . 1 1 119 119 ALA N N 142 121.680 121.680 119.858 1.822 18329 1583 1 2 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.080 0.050 18329 1584 1 2 . 1 1 119 119 ALA C C 142 178.800 178.800 178.468 0.332 18329 1585 1 2 . 1 1 119 119 ALA CA C 142 53.200 53.200 53.835 -0.635 18329 1586 1 2 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.731 -0.431 18329 1587 1 2 . 1 1 119 119 ALA H H 142 7.890 7.890 7.511 0.379 18329 1588 1 2 . 1 1 120 120 GLU N N 143 117.690 117.690 118.996 -1.306 18329 1589 1 2 . 1 1 120 120 GLU HA H 143 3.940 3.940 3.984 -0.044 18329 1590 1 2 . 1 1 120 120 GLU C C 143 178.100 178.100 176.896 1.204 18329 1591 1 2 . 1 1 120 120 GLU CA C 143 58.700 58.700 57.873 0.827 18329 1592 1 2 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.491 0.009 18329 1593 1 2 . 1 1 120 120 GLU H H 143 7.500 7.500 7.440 0.060 18329 1594 1 2 . 1 1 121 121 GLU N N 144 115.680 115.680 118.644 -2.964 18329 1595 1 2 . 1 1 121 121 GLU HA H 144 4.160 4.160 3.968 0.192 18329 1596 1 2 . 1 1 121 121 GLU C C 144 176.100 176.100 176.177 -0.077 18329 1597 1 2 . 1 1 121 121 GLU CA C 144 56.900 56.900 58.836 -1.936 18329 1598 1 2 . 1 1 121 121 GLU CB C 144 31.100 31.100 29.594 1.506 18329 1599 1 2 . 1 1 121 121 GLU H H 144 6.970 6.970 8.585 -1.615 18329 1600 1 2 . 1 1 122 122 ASN N N 145 117.750 117.750 118.207 -0.457 18329 1601 1 2 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.026 -0.036 18329 1602 1 2 . 1 1 122 122 ASN C C 145 185.300 185.300 172.762 12.538 18329 1603 1 2 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.441 -0.241 18329 1604 1 2 . 1 1 122 122 ASN CB C 145 41.100 41.100 38.970 2.130 18329 1605 1 2 . 1 1 122 122 ASN H H 145 7.670 7.670 8.529 -0.859 18329 1606 1 2 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.665 -0.035 18329 1607 1 2 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.084 -1.084 18329 1608 1 2 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.654 -0.354 18329 1609 1 2 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.440 -0.000 18329 1610 1 2 . 1 1 124 124 PRO CA C 147 62.900 62.900 62.525 0.375 18329 1611 1 2 . 1 1 124 124 PRO CB C 147 28.400 28.400 30.287 -1.887 18329 1612 1 2 . 1 1 125 125 THR N N 148 106.090 106.090 112.404 -6.314 18329 1613 1 2 . 1 1 125 125 THR HA H 148 4.530 4.530 4.250 0.280 18329 1614 1 2 . 1 1 125 125 THR C C 148 174.300 174.300 174.005 0.295 18329 1615 1 2 . 1 1 125 125 THR CA C 148 61.200 61.200 62.108 -0.908 18329 1616 1 2 . 1 1 125 125 THR CB C 148 68.600 68.600 68.602 -0.002 18329 1617 1 2 . 1 1 125 125 THR H H 148 7.800 7.800 8.143 -0.343 18329 1618 1 2 . 1 1 126 126 THR N N 149 108.650 108.650 114.850 -6.200 18329 1619 1 2 . 1 1 126 126 THR HA H 149 4.170 4.170 4.529 -0.359 18329 1620 1 2 . 1 1 126 126 THR C C 149 173.100 173.100 174.042 -0.942 18329 1621 1 2 . 1 1 126 126 THR CA C 149 58.800 58.800 60.696 -1.896 18329 1622 1 2 . 1 1 126 126 THR CB C 149 73.100 73.100 71.958 1.142 18329 1623 1 2 . 1 1 126 126 THR H H 149 7.350 7.350 7.095 0.255 18329 1624 1 2 . 1 1 127 127 ALA N N 150 123.270 123.270 124.485 -1.215 18329 1625 1 2 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.513 -0.493 18329 1626 1 2 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.459 -0.459 18329 1627 1 2 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.789 -0.089 18329 1628 1 2 . 1 1 127 127 ALA H H 150 7.750 7.750 8.934 -1.184 18329 1629 1 2 . 1 1 128 128 GLN N N 151 114.920 114.920 118.132 -3.212 18329 1630 1 2 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.043 -0.293 18329 1631 1 2 . 1 1 128 128 GLN C C 151 178.400 178.400 178.197 0.203 18329 1632 1 2 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.165 0.635 18329 1633 1 2 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.357 -1.157 18329 1634 1 2 . 1 1 128 128 GLN H H 151 8.300 8.300 8.589 -0.289 18329 1635 1 2 . 1 1 129 129 GLY N N 152 107.280 107.280 107.989 -0.709 18329 1636 1 2 . 1 1 129 129 GLY C C 152 174.900 174.900 176.433 -1.533 18329 1637 1 2 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.868 0.332 18329 1638 1 2 . 1 1 129 129 GLY H H 152 7.920 7.920 7.963 -0.043 18329 1639 1 2 . 1 1 130 130 VAL N N 153 119.440 119.440 122.590 -3.150 18329 1640 1 2 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.692 -0.222 18329 1641 1 2 . 1 1 130 130 VAL C C 153 177.700 177.700 177.252 0.448 18329 1642 1 2 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.441 2.359 18329 1643 1 2 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.111 0.589 18329 1644 1 2 . 1 1 130 130 VAL H H 153 7.390 7.390 7.706 -0.316 18329 1645 1 2 . 1 1 131 131 LEU N N 154 118.990 118.990 120.590 -1.600 18329 1646 1 2 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.847 0.063 18329 1647 1 2 . 1 1 131 131 LEU C C 154 180.400 180.400 178.237 2.163 18329 1648 1 2 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.308 -0.008 18329 1649 1 2 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.548 -0.548 18329 1650 1 2 . 1 1 131 131 LEU H H 154 8.640 8.640 7.487 1.153 18329 1651 1 2 . 1 1 132 132 GLU N N 155 120.980 120.980 119.450 1.530 18329 1652 1 2 . 1 1 132 132 GLU HA H 155 4.120 4.120 3.939 0.181 18329 1653 1 2 . 1 1 132 132 GLU C C 155 179.400 179.400 179.150 0.250 18329 1654 1 2 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.532 -0.632 18329 1655 1 2 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.394 -0.194 18329 1656 1 2 . 1 1 132 132 GLU H H 155 8.000 8.000 7.641 0.359 18329 1657 1 2 . 1 1 133 133 ILE N N 156 121.830 121.830 119.768 2.062 18329 1658 1 2 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.712 -0.132 18329 1659 1 2 . 1 1 133 133 ILE C C 156 178.000 178.000 178.270 -0.270 18329 1660 1 2 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.631 1.869 18329 1661 1 2 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.244 3.356 18329 1662 1 2 . 1 1 133 133 ILE H H 156 8.040 8.040 7.340 0.700 18329 1663 1 2 . 1 1 134 134 ALA N N 157 121.470 121.470 121.955 -0.485 18329 1664 1 2 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.883 0.017 18329 1665 1 2 . 1 1 134 134 ALA C C 157 178.800 178.800 179.639 -0.839 18329 1666 1 2 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.545 -0.245 18329 1667 1 2 . 1 1 134 134 ALA CB C 157 18.100 18.100 17.951 0.149 18329 1668 1 2 . 1 1 134 134 ALA H H 157 8.950 8.950 8.150 0.800 18329 1669 1 2 . 1 1 135 135 LYS N N 158 118.470 118.470 118.225 0.245 18329 1670 1 2 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.971 -0.061 18329 1671 1 2 . 1 1 135 135 LYS C C 158 179.300 179.300 178.684 0.616 18329 1672 1 2 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.296 0.204 18329 1673 1 2 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.375 -0.975 18329 1674 1 2 . 1 1 135 135 LYS H H 158 8.000 8.000 8.122 -0.122 18329 1675 1 2 . 1 1 136 136 LYS N N 159 118.000 118.000 120.094 -2.094 18329 1676 1 2 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.256 -0.206 18329 1677 1 2 . 1 1 136 136 LYS C C 159 180.200 180.200 179.284 0.916 18329 1678 1 2 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.121 0.379 18329 1679 1 2 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.311 -1.411 18329 1680 1 2 . 1 1 136 136 LYS H H 159 7.530 7.530 8.265 -0.735 18329 1681 1 2 . 1 1 137 137 MET N N 160 120.990 120.990 118.397 2.593 18329 1682 1 2 . 1 1 137 137 MET HA H 160 3.800 3.800 4.162 -0.362 18329 1683 1 2 . 1 1 137 137 MET C C 160 177.400 177.400 178.095 -0.695 18329 1684 1 2 . 1 1 137 137 MET CA C 160 60.600 60.600 59.799 0.801 18329 1685 1 2 . 1 1 137 137 MET CB C 160 31.800 31.800 32.500 -0.700 18329 1686 1 2 . 1 1 137 137 MET H H 160 8.660 8.660 8.420 0.240 18329 1687 1 2 . 1 1 138 138 ARG N N 161 119.480 119.480 119.638 -0.158 18329 1688 1 2 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.944 -0.144 18329 1689 1 2 . 1 1 138 138 ARG C C 161 177.900 177.900 178.607 -0.707 18329 1690 1 2 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.960 0.640 18329 1691 1 2 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.239 -0.439 18329 1692 1 2 . 1 1 138 138 ARG H H 161 9.280 9.280 7.939 1.341 18329 1693 1 2 . 1 1 139 139 GLU N N 162 118.700 118.700 118.483 0.217 18329 1694 1 2 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.091 -0.091 18329 1695 1 2 . 1 1 139 139 GLU C C 162 179.100 179.100 178.798 0.302 18329 1696 1 2 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.095 0.705 18329 1697 1 2 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.426 0.074 18329 1698 1 2 . 1 1 139 139 GLU H H 162 8.430 8.430 7.800 0.630 18329 1699 1 2 . 1 1 140 140 LYS N N 163 119.310 119.310 119.734 -0.424 18329 1700 1 2 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.240 -0.030 18329 1701 1 2 . 1 1 140 140 LYS C C 163 177.900 177.900 179.070 -1.170 18329 1702 1 2 . 1 1 140 140 LYS CA C 163 58.900 58.900 57.632 1.268 18329 1703 1 2 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.628 -1.528 18329 1704 1 2 . 1 1 140 140 LYS H H 163 7.440 7.440 7.515 -0.075 18329 1705 1 2 . 1 1 141 141 LEU N N 164 117.630 117.630 119.023 -1.393 18329 1706 1 2 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.060 -0.170 18329 1707 1 2 . 1 1 141 141 LEU C C 164 178.700 178.700 178.652 0.048 18329 1708 1 2 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.911 0.089 18329 1709 1 2 . 1 1 141 141 LEU CB C 164 41.500 41.500 42.046 -0.546 18329 1710 1 2 . 1 1 141 141 LEU H H 164 8.180 8.180 8.445 -0.265 18329 1711 1 2 . 1 1 142 142 GLN N N 165 117.710 117.710 118.061 -0.351 18329 1712 1 2 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.998 0.312 18329 1713 1 2 . 1 1 142 142 GLN C C 165 179.200 179.200 177.709 1.491 18329 1714 1 2 . 1 1 142 142 GLN CA C 165 58.500 58.500 58.598 -0.098 18329 1715 1 2 . 1 1 142 142 GLN CB C 165 27.500 27.500 27.642 -0.142 18329 1716 1 2 . 1 1 142 142 GLN H H 165 8.730 8.730 8.132 0.598 18329 1717 1 2 . 1 1 143 143 ARG N N 166 121.410 121.410 119.344 2.066 18329 1718 1 2 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.067 0.123 18329 1719 1 2 . 1 1 143 143 ARG C C 166 179.700 179.700 177.979 1.721 18329 1720 1 2 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.584 0.216 18329 1721 1 2 . 1 1 143 143 ARG CB C 166 30.200 30.200 30.061 0.139 18329 1722 1 2 . 1 1 143 143 ARG H H 166 8.050 8.050 7.478 0.572 18329 1723 1 2 . 1 1 144 144 VAL N N 167 120.950 120.950 118.413 2.537 18329 1724 1 2 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.761 -0.001 18329 1725 1 2 . 1 1 144 144 VAL C C 167 179.200 179.200 177.957 1.243 18329 1726 1 2 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.150 0.250 18329 1727 1 2 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.248 0.851 18329 1728 1 2 . 1 1 144 144 VAL H H 167 8.190 8.190 7.374 0.816 18329 1729 1 2 . 1 1 145 145 HIS N N 168 123.520 123.520 118.701 4.819 18329 1730 1 2 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.493 -0.593 18329 1731 1 2 . 1 1 145 145 HIS C C 168 177.100 177.100 177.779 -0.679 18329 1732 1 2 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.000 2.300 18329 1733 1 2 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.267 -0.367 18329 1734 1 2 . 1 1 145 145 HIS H H 168 9.240 9.240 7.797 1.443 18329 1735 1 2 . 1 1 146 146 THR N N 169 115.020 115.020 117.495 -2.475 18329 1736 1 2 . 1 1 146 146 THR HA H 169 3.860 3.860 4.089 -0.229 18329 1737 1 2 . 1 1 146 146 THR C C 169 175.700 175.700 175.861 -0.161 18329 1738 1 2 . 1 1 146 146 THR CA C 169 67.200 67.200 67.167 0.033 18329 1739 1 2 . 1 1 146 146 THR CB C 169 69.300 69.300 69.057 0.243 18329 1740 1 2 . 1 1 146 146 THR H H 169 8.750 8.750 8.587 0.163 18329 1741 1 2 . 1 1 147 147 LYS N N 170 120.300 120.300 121.442 -1.142 18329 1742 1 2 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.943 0.057 18329 1743 1 2 . 1 1 147 147 LYS C C 170 179.300 179.300 178.633 0.667 18329 1744 1 2 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.786 -0.686 18329 1745 1 2 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.445 -0.645 18329 1746 1 2 . 1 1 147 147 LYS H H 170 8.020 8.020 8.037 -0.017 18329 1747 1 2 . 1 1 148 148 ASN N N 171 117.600 117.600 117.205 0.395 18329 1748 1 2 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.400 -0.080 18329 1749 1 2 . 1 1 148 148 ASN C C 171 175.400 175.400 177.658 -2.258 18329 1750 1 2 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.891 1.809 18329 1751 1 2 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.555 1.145 18329 1752 1 2 . 1 1 148 148 ASN H H 171 7.810 7.810 7.713 0.097 18329 1753 1 2 . 1 1 149 149 TYR N N 172 121.560 121.560 121.035 0.525 18329 1754 1 2 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.203 -0.313 18329 1755 1 2 . 1 1 149 149 TYR C C 172 176.900 176.900 177.326 -0.426 18329 1756 1 2 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.834 -0.334 18329 1757 1 2 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.840 0.080 18329 1758 1 2 . 1 1 149 149 TYR H H 172 9.020 9.020 7.547 1.473 18329 1759 1 2 . 1 1 150 150 CYS N N 173 116.050 116.050 118.585 -2.535 18329 1760 1 2 . 1 1 150 150 CYS C C 173 177.100 177.100 176.620 0.480 18329 1761 1 2 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.284 -2.884 18329 1762 1 2 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.100 12.500 18329 1763 1 2 . 1 1 150 150 CYS H H 173 8.810 8.810 8.109 0.701 18329 1764 1 2 . 1 1 151 151 THR N N 174 117.190 117.190 116.213 0.977 18329 1765 1 2 . 1 1 151 151 THR HA H 174 3.880 3.880 3.978 -0.098 18329 1766 1 2 . 1 1 151 151 THR C C 174 176.000 176.000 176.737 -0.737 18329 1767 1 2 . 1 1 151 151 THR CA C 174 66.900 66.900 65.883 1.017 18329 1768 1 2 . 1 1 151 151 THR CB C 174 68.500 68.500 68.528 -0.029 18329 1769 1 2 . 1 1 151 151 THR H H 174 7.720 7.720 8.206 -0.486 18329 1770 1 2 . 1 1 152 152 LEU N N 175 123.110 123.110 122.022 1.088 18329 1771 1 2 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.124 -0.314 18329 1772 1 2 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.493 0.507 18329 1773 1 2 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.264 0.236 18329 1774 1 2 . 1 1 152 152 LEU H H 175 7.870 7.870 7.591 0.279 18329 1775 1 2 . 1 1 153 153 LYS N N 176 117.270 117.270 119.213 -1.943 18329 1776 1 2 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.798 -0.098 18329 1777 1 2 . 1 1 153 153 LYS C C 176 179.100 179.100 177.960 1.140 18329 1778 1 2 . 1 1 153 153 LYS CA C 176 56.700 56.700 59.291 -2.591 18329 1779 1 2 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.998 -2.098 18329 1780 1 2 . 1 1 153 153 LYS H H 176 7.900 7.900 7.559 0.341 18329 1781 1 2 . 1 1 154 154 LYS N N 177 119.290 119.290 118.988 0.302 18329 1782 1 2 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.100 0.160 18329 1783 1 2 . 1 1 154 154 LYS C C 177 178.100 178.100 178.388 -0.288 18329 1784 1 2 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.124 -1.324 18329 1785 1 2 . 1 1 154 154 LYS CB C 177 31.800 31.800 32.052 -0.252 18329 1786 1 2 . 1 1 154 154 LYS H H 177 7.540 7.540 7.412 0.128 18329 1787 1 2 . 1 1 155 155 LYS N N 178 118.910 118.910 117.249 1.661 18329 1788 1 2 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.027 0.023 18329 1789 1 2 . 1 1 155 155 LYS C C 178 178.100 178.100 179.217 -1.117 18329 1790 1 2 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.872 -0.872 18329 1791 1 2 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.081 0.119 18329 1792 1 2 . 1 1 155 155 LYS H H 178 7.630 7.630 7.783 -0.153 18329 1793 1 2 . 1 1 156 156 GLU N N 179 117.950 117.950 116.965 0.985 18329 1794 1 2 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.106 0.004 18329 1795 1 2 . 1 1 156 156 GLU C C 179 176.700 176.700 177.010 -0.310 18329 1796 1 2 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.156 -0.656 18329 1797 1 2 . 1 1 156 156 GLU CB C 179 29.600 29.600 30.176 -0.576 18329 1798 1 2 . 1 1 156 156 GLU H H 179 7.560 7.560 7.841 -0.281 18329 1799 1 2 . 1 1 157 157 ASN N N 180 116.590 116.590 115.917 0.673 18329 1800 1 2 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.894 -0.174 18329 1801 1 2 . 1 1 157 157 ASN C C 180 175.000 175.000 174.944 0.056 18329 1802 1 2 . 1 1 157 157 ASN CA C 180 52.700 52.700 52.081 0.619 18329 1803 1 2 . 1 1 157 157 ASN CB C 180 38.800 38.800 39.218 -0.418 18329 1804 1 2 . 1 1 157 157 ASN H H 180 7.820 7.820 7.609 0.211 18329 1805 1 2 . 1 1 158 158 SER HA H 181 4.450 4.450 4.230 0.220 18329 1806 1 2 . 1 1 158 158 SER CA C 181 60.400 60.400 60.649 -0.249 18329 1807 1 2 . 1 1 158 158 SER CB C 181 63.500 63.500 63.072 0.428 18329 1808 1 2 . 1 1 158 158 SER H H 181 8.030 8.030 8.745 -0.715 18329 1809 1 2 . 1 1 159 159 THR N N 182 112.800 112.800 115.149 -2.349 18329 1810 1 2 . 1 1 159 159 THR HA H 182 4.380 4.380 4.115 0.265 18329 1811 1 2 . 1 1 159 159 THR C C 182 174.300 174.300 174.763 -0.463 18329 1812 1 2 . 1 1 159 159 THR CA C 182 61.800 61.800 62.436 -0.636 18329 1813 1 2 . 1 1 159 159 THR CB C 182 69.100 69.100 67.938 1.162 18329 1814 1 2 . 1 1 159 159 THR H H 182 8.070 8.070 7.761 0.309 18329 1815 1 2 . 1 1 160 160 PHE N N 183 123.120 123.120 124.809 -1.689 18329 1816 1 2 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.367 0.073 18329 1817 1 2 . 1 1 160 160 PHE C C 183 175.100 175.100 175.381 -0.281 18329 1818 1 2 . 1 1 160 160 PHE CA C 183 58.900 58.900 59.050 -0.150 18329 1819 1 2 . 1 1 160 160 PHE CB C 183 40.000 40.000 38.351 1.649 18329 1820 1 2 . 1 1 160 160 PHE H H 183 7.900 7.900 7.647 0.253 18329 1821 1 2 . 1 1 161 161 THR N N 184 119.330 119.330 113.806 5.524 18329 1822 1 2 . 1 1 161 161 THR HA H 184 4.190 4.190 3.751 0.439 18329 1823 1 2 . 1 1 161 161 THR CA C 184 60.700 60.700 63.209 -2.509 18329 1824 1 2 . 1 1 161 161 THR CB C 184 70.700 70.700 68.642 2.058 18329 1825 1 2 . 1 1 161 161 THR H H 184 7.810 7.810 5.774 2.036 18329 1826 1 2 . 1 1 162 162 ASP N N 185 123.190 123.190 122.028 1.162 18329 1827 1 2 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.356 0.054 18329 1828 1 2 . 1 1 162 162 ASP C C 185 176.900 176.900 175.078 1.822 18329 1829 1 2 . 1 1 162 162 ASP CA C 185 53.900 53.900 55.383 -1.483 18329 1830 1 2 . 1 1 162 162 ASP CB C 185 44.000 44.000 40.418 3.582 18329 1831 1 2 . 1 1 162 162 ASP H H 185 8.000 8.000 8.570 -0.570 18329 1832 1 2 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.341 0.139 18329 1833 1 2 . 1 1 163 163 GLU CA C 186 58.800 58.800 56.596 2.204 18329 1834 1 2 . 1 1 163 163 GLU CB C 186 28.100 28.100 30.347 -2.247 18329 1835 1 2 . 1 1 166 166 LYS N N 189 118.150 118.150 119.321 -1.171 18329 1836 1 2 . 1 1 166 166 LYS HA H 189 4.220 4.220 3.911 0.309 18329 1837 1 2 . 1 1 166 166 LYS C C 189 177.500 177.500 176.198 1.302 18329 1838 1 2 . 1 1 166 166 LYS CA C 189 58.000 58.000 58.803 -0.803 18329 1839 1 2 . 1 1 166 166 LYS CB C 189 32.600 32.600 31.804 0.796 18329 1840 1 2 . 1 1 166 166 LYS H H 189 8.890 8.890 8.429 0.461 18329 1841 1 2 . 1 1 167 167 ASN N N 190 116.210 116.210 116.707 -0.497 18329 1842 1 2 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.755 0.205 18329 1843 1 2 . 1 1 167 167 ASN C C 190 174.900 174.900 174.148 0.752 18329 1844 1 2 . 1 1 167 167 ASN CA C 190 52.900 52.900 53.708 -0.807 18329 1845 1 2 . 1 1 167 167 ASN CB C 190 38.400 38.400 39.643 -1.243 18329 1846 1 2 . 1 1 167 167 ASN H H 190 8.030 8.030 8.593 -0.563 18329 1847 1 3 . 1 1 2 2 ALA N N 25 125.000 125.000 126.738 -1.738 18329 1848 1 3 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.664 -0.294 18329 1849 1 3 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.501 -0.201 18329 1850 1 3 . 1 1 2 2 ALA CB C 25 19.700 19.700 20.036 -0.336 18329 1851 1 3 . 1 1 2 2 ALA H H 25 8.690 8.690 8.322 0.368 18329 1852 1 3 . 1 1 3 3 GLY N N 26 106.920 106.920 105.968 0.952 18329 1853 1 3 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.414 -1.414 18329 1854 1 3 . 1 1 3 3 GLY H H 26 7.940 7.940 8.211 -0.271 18329 1855 1 3 . 1 1 4 4 LEU N N 27 119.140 119.140 121.462 -2.322 18329 1856 1 3 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.119 0.291 18329 1857 1 3 . 1 1 4 4 LEU C C 27 177.100 177.100 176.156 0.944 18329 1858 1 3 . 1 1 4 4 LEU CA C 27 54.400 54.400 56.640 -2.240 18329 1859 1 3 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.145 -0.045 18329 1860 1 3 . 1 1 4 4 LEU H H 27 8.210 8.210 7.987 0.223 18329 1861 1 3 . 1 1 5 5 THR N N 28 112.940 112.940 115.119 -2.179 18329 1862 1 3 . 1 1 5 5 THR HA H 28 4.650 4.650 4.421 0.229 18329 1863 1 3 . 1 1 5 5 THR C C 28 175.500 175.500 174.478 1.022 18329 1864 1 3 . 1 1 5 5 THR CA C 28 60.100 60.100 62.070 -1.970 18329 1865 1 3 . 1 1 5 5 THR CB C 28 72.600 72.600 69.146 3.454 18329 1866 1 3 . 1 1 5 5 THR H H 28 9.220 9.220 8.709 0.511 18329 1867 1 3 . 1 1 6 6 GLY N N 29 108.230 108.230 109.064 -0.834 18329 1868 1 3 . 1 1 6 6 GLY C C 29 174.800 174.800 174.330 0.470 18329 1869 1 3 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.743 1.257 18329 1870 1 3 . 1 1 6 6 GLY H H 29 8.520 8.520 8.118 0.402 18329 1871 1 3 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.020 0.020 18329 1872 1 3 . 1 1 7 7 ALA CA C 30 54.800 54.800 53.670 1.130 18329 1873 1 3 . 1 1 7 7 ALA CB C 30 18.200 18.200 17.082 1.118 18329 1874 1 3 . 1 1 8 8 THR N N 31 116.970 116.970 113.998 2.972 18329 1875 1 3 . 1 1 8 8 THR HA H 31 3.740 3.740 3.918 -0.178 18329 1876 1 3 . 1 1 8 8 THR C C 31 175.300 175.300 175.853 -0.553 18329 1877 1 3 . 1 1 8 8 THR CA C 31 67.000 67.000 66.188 0.812 18329 1878 1 3 . 1 1 8 8 THR CB C 31 68.700 68.700 68.370 0.330 18329 1879 1 3 . 1 1 8 8 THR H H 31 8.110 8.110 8.188 -0.078 18329 1880 1 3 . 1 1 9 9 LYS N N 32 120.540 120.540 119.712 0.828 18329 1881 1 3 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.066 -0.476 18329 1882 1 3 . 1 1 9 9 LYS C C 32 176.900 176.900 178.551 -1.651 18329 1883 1 3 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.062 0.738 18329 1884 1 3 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.838 0.562 18329 1885 1 3 . 1 1 9 9 LYS H H 32 6.860 6.860 8.213 -1.353 18329 1886 1 3 . 1 1 10 10 ILE N N 33 115.940 115.940 119.653 -3.713 18329 1887 1 3 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.873 -0.163 18329 1888 1 3 . 1 1 10 10 ILE C C 33 179.000 179.000 178.122 0.878 18329 1889 1 3 . 1 1 10 10 ILE CA C 33 64.000 64.000 63.899 0.101 18329 1890 1 3 . 1 1 10 10 ILE CB C 33 38.000 38.000 36.886 1.114 18329 1891 1 3 . 1 1 10 10 ILE H H 33 7.380 7.380 8.782 -1.402 18329 1892 1 3 . 1 1 11 11 ARG N N 34 118.350 118.350 120.403 -2.053 18329 1893 1 3 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.087 -0.047 18329 1894 1 3 . 1 1 11 11 ARG C C 34 180.000 180.000 178.935 1.065 18329 1895 1 3 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.625 -0.225 18329 1896 1 3 . 1 1 11 11 ARG CB C 34 30.300 30.300 29.974 0.326 18329 1897 1 3 . 1 1 11 11 ARG H H 34 8.250 8.250 7.552 0.698 18329 1898 1 3 . 1 1 12 12 LEU N N 35 117.420 117.420 119.173 -1.753 18329 1899 1 3 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.201 -0.031 18329 1900 1 3 . 1 1 12 12 LEU C C 35 179.000 179.000 179.414 -0.414 18329 1901 1 3 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.284 0.716 18329 1902 1 3 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.756 -0.956 18329 1903 1 3 . 1 1 12 12 LEU H H 35 8.340 8.340 7.596 0.744 18329 1904 1 3 . 1 1 13 13 GLU N N 36 117.890 117.890 120.136 -2.246 18329 1905 1 3 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.888 0.132 18329 1906 1 3 . 1 1 13 13 GLU C C 36 180.100 180.100 178.849 1.251 18329 1907 1 3 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.960 0.240 18329 1908 1 3 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.660 -1.360 18329 1909 1 3 . 1 1 13 13 GLU H H 36 8.610 8.610 8.588 0.022 18329 1910 1 3 . 1 1 14 14 ARG N N 37 121.100 121.100 118.061 3.039 18329 1911 1 3 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.045 0.195 18329 1912 1 3 . 1 1 14 14 ARG C C 37 178.100 178.100 179.021 -0.921 18329 1913 1 3 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.512 -1.012 18329 1914 1 3 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.457 -0.257 18329 1915 1 3 . 1 1 14 14 ARG H H 37 7.980 7.980 8.062 -0.082 18329 1916 1 3 . 1 1 15 15 SER N N 38 115.420 115.420 113.977 1.443 18329 1917 1 3 . 1 1 15 15 SER HA H 38 4.380 4.380 4.663 -0.283 18329 1918 1 3 . 1 1 15 15 SER C C 38 177.300 177.300 175.702 1.598 18329 1919 1 3 . 1 1 15 15 SER CA C 38 62.200 62.200 60.574 1.627 18329 1920 1 3 . 1 1 15 15 SER CB C 38 63.200 63.200 63.270 -0.070 18329 1921 1 3 . 1 1 15 15 SER H H 38 8.230 8.230 8.034 0.196 18329 1922 1 3 . 1 1 16 16 ALA N N 39 123.970 123.970 124.847 -0.877 18329 1923 1 3 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.211 -0.581 18329 1924 1 3 . 1 1 16 16 ALA C C 39 179.500 179.500 179.609 -0.109 18329 1925 1 3 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.515 0.185 18329 1926 1 3 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.544 -0.544 18329 1927 1 3 . 1 1 16 16 ALA H H 39 8.280 8.280 8.054 0.226 18329 1928 1 3 . 1 1 17 17 LYS N N 40 121.690 121.690 119.791 1.899 18329 1929 1 3 . 1 1 17 17 LYS HA H 40 4.090 4.090 3.965 0.125 18329 1930 1 3 . 1 1 17 17 LYS C C 40 178.000 178.000 178.076 -0.076 18329 1931 1 3 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.599 -1.199 18329 1932 1 3 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.278 -0.478 18329 1933 1 3 . 1 1 17 17 LYS H H 40 7.930 7.930 7.843 0.087 18329 1934 1 3 . 1 1 18 18 ASP N N 41 118.730 118.730 119.008 -0.278 18329 1935 1 3 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.367 -0.007 18329 1936 1 3 . 1 1 18 18 ASP C C 41 179.900 179.900 178.774 1.126 18329 1937 1 3 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.983 0.717 18329 1938 1 3 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.006 -0.406 18329 1939 1 3 . 1 1 18 18 ASP H H 41 8.320 8.320 7.756 0.564 18329 1940 1 3 . 1 1 19 19 ILE N N 42 118.180 118.180 119.560 -1.380 18329 1941 1 3 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.697 -0.007 18329 1942 1 3 . 1 1 19 19 ILE C C 42 177.400 177.400 177.757 -0.357 18329 1943 1 3 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.427 -0.227 18329 1944 1 3 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.661 0.239 18329 1945 1 3 . 1 1 19 19 ILE H H 42 7.420 7.420 8.131 -0.711 18329 1946 1 3 . 1 1 20 20 THR N N 43 113.360 113.360 113.306 0.054 18329 1947 1 3 . 1 1 20 20 THR HA H 43 3.770 3.770 4.055 -0.285 18329 1948 1 3 . 1 1 20 20 THR C C 43 177.800 177.800 176.400 1.400 18329 1949 1 3 . 1 1 20 20 THR CA C 43 66.400 66.400 65.663 0.737 18329 1950 1 3 . 1 1 20 20 THR CB C 43 67.400 67.400 68.179 -0.779 18329 1951 1 3 . 1 1 20 20 THR H H 43 7.610 7.610 7.810 -0.200 18329 1952 1 3 . 1 1 21 21 ASP N N 44 123.650 123.650 122.661 0.989 18329 1953 1 3 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.392 0.018 18329 1954 1 3 . 1 1 21 21 ASP C C 44 179.200 179.200 178.325 0.875 18329 1955 1 3 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.300 -0.100 18329 1956 1 3 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.543 -0.943 18329 1957 1 3 . 1 1 21 21 ASP H H 44 9.260 9.260 8.214 1.046 18329 1958 1 3 . 1 1 22 22 GLU N N 45 123.560 123.560 118.797 4.763 18329 1959 1 3 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.139 0.231 18329 1960 1 3 . 1 1 22 22 GLU C C 45 178.500 178.500 179.292 -0.792 18329 1961 1 3 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.947 -0.747 18329 1962 1 3 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.750 -0.550 18329 1963 1 3 . 1 1 22 22 GLU H H 45 7.750 7.750 7.884 -0.134 18329 1964 1 3 . 1 1 23 23 ILE N N 46 119.940 119.940 115.782 4.158 18329 1965 1 3 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.880 -0.260 18329 1966 1 3 . 1 1 23 23 ILE C C 46 177.600 177.600 177.721 -0.121 18329 1967 1 3 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.352 1.248 18329 1968 1 3 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.712 -0.712 18329 1969 1 3 . 1 1 23 23 ILE H H 46 8.360 8.360 7.303 1.057 18329 1970 1 3 . 1 1 24 24 ASP N N 47 120.730 120.730 120.943 -0.213 18329 1971 1 3 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.341 0.059 18329 1972 1 3 . 1 1 24 24 ASP C C 47 178.900 178.900 177.792 1.108 18329 1973 1 3 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.027 0.473 18329 1974 1 3 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.670 -0.770 18329 1975 1 3 . 1 1 24 24 ASP H H 47 8.280 8.280 8.580 -0.300 18329 1976 1 3 . 1 1 25 25 ALA N N 48 123.870 123.870 121.171 2.699 18329 1977 1 3 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.079 0.041 18329 1978 1 3 . 1 1 25 25 ALA C C 48 180.400 180.400 179.398 1.002 18329 1979 1 3 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.963 0.537 18329 1980 1 3 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.487 -0.687 18329 1981 1 3 . 1 1 25 25 ALA H H 48 7.880 7.880 7.175 0.705 18329 1982 1 3 . 1 1 26 26 ILE N N 49 121.970 121.970 119.019 2.951 18329 1983 1 3 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.579 0.151 18329 1984 1 3 . 1 1 26 26 ILE C C 49 178.400 178.400 178.097 0.303 18329 1985 1 3 . 1 1 26 26 ILE CA C 49 65.900 65.900 65.068 0.832 18329 1986 1 3 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.639 -0.139 18329 1987 1 3 . 1 1 26 26 ILE H H 49 8.710 8.710 7.286 1.424 18329 1988 1 3 . 1 1 27 27 LYS N N 50 119.820 119.820 118.854 0.966 18329 1989 1 3 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.579 0.301 18329 1990 1 3 . 1 1 27 27 LYS C C 50 179.900 179.900 178.711 1.189 18329 1991 1 3 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.584 0.816 18329 1992 1 3 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.738 0.163 18329 1993 1 3 . 1 1 27 27 LYS H H 50 8.540 8.540 7.572 0.968 18329 1994 1 3 . 1 1 28 28 LYS N N 51 121.960 121.960 120.287 1.673 18329 1995 1 3 . 1 1 28 28 LYS HA H 51 4.090 4.090 3.915 0.175 18329 1996 1 3 . 1 1 28 28 LYS C C 51 179.200 179.200 178.893 0.307 18329 1997 1 3 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.549 -0.249 18329 1998 1 3 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.334 -0.934 18329 1999 1 3 . 1 1 28 28 LYS H H 51 8.070 8.070 7.580 0.490 18329 2000 1 3 . 1 1 29 29 ASP N N 52 121.710 121.710 118.957 2.753 18329 2001 1 3 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.516 -0.046 18329 2002 1 3 . 1 1 29 29 ASP C C 52 178.500 178.500 177.668 0.832 18329 2003 1 3 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.237 0.763 18329 2004 1 3 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.690 0.310 18329 2005 1 3 . 1 1 29 29 ASP H H 52 8.340 8.340 8.180 0.160 18329 2006 1 3 . 1 1 30 30 ALA N N 53 121.990 121.990 121.986 0.004 18329 2007 1 3 . 1 1 30 30 ALA HA H 53 3.340 3.340 3.987 -0.647 18329 2008 1 3 . 1 1 30 30 ALA C C 53 179.500 179.500 178.629 0.871 18329 2009 1 3 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.557 0.543 18329 2010 1 3 . 1 1 30 30 ALA CB C 53 18.100 18.100 19.320 -1.220 18329 2011 1 3 . 1 1 30 30 ALA H H 53 8.800 8.800 8.118 0.682 18329 2012 1 3 . 1 1 31 31 ALA N N 54 119.970 119.970 121.683 -1.713 18329 2013 1 3 . 1 1 31 31 ALA HA H 54 4.150 4.150 3.981 0.169 18329 2014 1 3 . 1 1 31 31 ALA C C 54 181.600 181.600 177.952 3.648 18329 2015 1 3 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.083 0.617 18329 2016 1 3 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.790 -0.990 18329 2017 1 3 . 1 1 31 31 ALA H H 54 7.730 7.730 8.037 -0.307 18329 2018 1 3 . 1 1 32 32 LEU N N 55 119.660 119.660 118.979 0.681 18329 2019 1 3 . 1 1 32 32 LEU HA H 55 4.140 4.140 3.978 0.162 18329 2020 1 3 . 1 1 32 32 LEU C C 55 179.100 179.100 176.270 2.830 18329 2021 1 3 . 1 1 32 32 LEU CA C 55 57.000 57.000 54.896 2.104 18329 2022 1 3 . 1 1 32 32 LEU CB C 55 41.900 41.900 40.432 1.468 18329 2023 1 3 . 1 1 32 32 LEU H H 55 7.660 7.660 7.706 -0.046 18329 2024 1 3 . 1 1 33 33 LYS N N 56 117.160 117.160 116.572 0.588 18329 2025 1 3 . 1 1 33 33 LYS HA H 56 4.210 4.210 3.889 0.321 18329 2026 1 3 . 1 1 33 33 LYS C C 56 176.600 176.600 175.495 1.105 18329 2027 1 3 . 1 1 33 33 LYS CA C 56 56.100 56.100 56.970 -0.870 18329 2028 1 3 . 1 1 33 33 LYS CB C 56 33.200 33.200 30.247 2.953 18329 2029 1 3 . 1 1 33 33 LYS H H 56 7.610 7.610 8.426 -0.816 18329 2030 1 3 . 1 1 34 34 GLY N N 57 108.680 108.680 107.567 1.113 18329 2031 1 3 . 1 1 34 34 GLY C C 57 174.400 174.400 173.709 0.691 18329 2032 1 3 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.413 0.787 18329 2033 1 3 . 1 1 34 34 GLY H H 57 7.710 7.710 8.045 -0.335 18329 2034 1 3 . 1 1 35 35 VAL N N 58 121.000 121.000 122.875 -1.875 18329 2035 1 3 . 1 1 35 35 VAL HA H 58 3.900 3.900 3.620 0.280 18329 2036 1 3 . 1 1 35 35 VAL C C 58 174.200 174.200 176.686 -2.486 18329 2037 1 3 . 1 1 35 35 VAL CA C 58 61.500 61.500 63.130 -1.630 18329 2038 1 3 . 1 1 35 35 VAL CB C 58 32.800 32.800 31.841 0.959 18329 2039 1 3 . 1 1 35 35 VAL H H 58 7.990 7.990 7.687 0.303 18329 2040 1 3 . 1 1 36 36 ASN N N 59 124.960 124.960 125.162 -0.202 18329 2041 1 3 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.524 0.146 18329 2042 1 3 . 1 1 36 36 ASN C C 59 175.700 175.700 175.892 -0.192 18329 2043 1 3 . 1 1 36 36 ASN CA C 59 51.600 51.600 54.357 -2.757 18329 2044 1 3 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.450 0.650 18329 2045 1 3 . 1 1 36 36 ASN H H 59 8.460 8.460 8.558 -0.098 18329 2046 1 3 . 1 1 37 37 PHE N N 60 124.460 124.460 118.780 5.680 18329 2047 1 3 . 1 1 37 37 PHE HA H 60 4.140 4.140 3.981 0.159 18329 2048 1 3 . 1 1 37 37 PHE C C 60 177.000 177.000 174.974 2.026 18329 2049 1 3 . 1 1 37 37 PHE CA C 60 60.400 60.400 60.291 0.109 18329 2050 1 3 . 1 1 37 37 PHE CB C 60 39.200 39.200 38.935 0.265 18329 2051 1 3 . 1 1 37 37 PHE H H 60 8.780 8.780 7.792 0.988 18329 2052 1 3 . 1 1 38 38 ASP N N 61 119.270 119.270 117.485 1.785 18329 2053 1 3 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.230 0.260 18329 2054 1 3 . 1 1 38 38 ASP C C 61 177.000 177.000 174.430 2.570 18329 2055 1 3 . 1 1 38 38 ASP CA C 61 55.500 55.500 55.442 0.058 18329 2056 1 3 . 1 1 38 38 ASP CB C 61 40.000 40.000 39.755 0.244 18329 2057 1 3 . 1 1 38 38 ASP H H 61 8.400 8.400 8.216 0.184 18329 2058 1 3 . 1 1 39 39 ALA N N 62 122.020 122.020 120.515 1.505 18329 2059 1 3 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.370 -0.170 18329 2060 1 3 . 1 1 39 39 ALA C C 62 178.300 178.300 175.641 2.659 18329 2061 1 3 . 1 1 39 39 ALA CA C 62 52.900 52.900 51.601 1.299 18329 2062 1 3 . 1 1 39 39 ALA CB C 62 18.500 18.500 19.621 -1.121 18329 2063 1 3 . 1 1 39 39 ALA H H 62 7.740 7.740 7.266 0.474 18329 2064 1 3 . 1 1 40 40 PHE N N 63 116.940 116.940 119.845 -2.905 18329 2065 1 3 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.755 -0.375 18329 2066 1 3 . 1 1 40 40 PHE C C 63 176.100 176.100 176.180 -0.080 18329 2067 1 3 . 1 1 40 40 PHE CA C 63 58.300 58.300 56.962 1.338 18329 2068 1 3 . 1 1 40 40 PHE CB C 63 38.800 38.800 39.695 -0.895 18329 2069 1 3 . 1 1 40 40 PHE H H 63 7.730 7.730 8.334 -0.604 18329 2070 1 3 . 1 1 41 41 LYS N N 64 119.840 119.840 120.592 -0.752 18329 2071 1 3 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.124 0.096 18329 2072 1 3 . 1 1 41 41 LYS C C 64 176.100 176.100 176.452 -0.352 18329 2073 1 3 . 1 1 41 41 LYS CA C 64 56.600 56.600 57.891 -1.291 18329 2074 1 3 . 1 1 41 41 LYS CB C 64 32.900 32.900 32.118 0.782 18329 2075 1 3 . 1 1 41 41 LYS H H 64 7.650 7.650 7.881 -0.231 18329 2076 1 3 . 1 1 42 42 ASP N N 65 120.770 120.770 119.586 1.184 18329 2077 1 3 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.706 -0.136 18329 2078 1 3 . 1 1 42 42 ASP C C 65 176.100 176.100 176.183 -0.083 18329 2079 1 3 . 1 1 42 42 ASP CA C 65 54.200 54.200 53.844 0.356 18329 2080 1 3 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.342 -0.442 18329 2081 1 3 . 1 1 42 42 ASP H H 65 8.030 8.030 8.099 -0.069 18329 2082 1 3 . 1 1 43 43 LYS N N 66 122.070 122.070 121.565 0.505 18329 2083 1 3 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.265 0.015 18329 2084 1 3 . 1 1 43 43 LYS C C 66 176.800 176.800 176.828 -0.028 18329 2085 1 3 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.599 -0.098 18329 2086 1 3 . 1 1 43 43 LYS CB C 66 32.800 32.800 33.112 -0.312 18329 2087 1 3 . 1 1 43 43 LYS H H 66 8.180 8.180 8.336 -0.156 18329 2088 1 3 . 1 1 44 44 LYS N N 67 122.170 122.170 122.467 -0.297 18329 2089 1 3 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.373 -0.023 18329 2090 1 3 . 1 1 44 44 LYS C C 67 177.000 177.000 176.465 0.535 18329 2091 1 3 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.678 -0.079 18329 2092 1 3 . 1 1 44 44 LYS CB C 67 32.800 32.800 33.446 -0.646 18329 2093 1 3 . 1 1 44 44 LYS H H 67 8.460 8.460 8.362 0.098 18329 2094 1 3 . 1 1 45 45 THR N N 68 114.390 114.390 114.945 -0.555 18329 2095 1 3 . 1 1 45 45 THR HA H 68 4.330 4.330 4.527 -0.197 18329 2096 1 3 . 1 1 45 45 THR C C 68 175.200 175.200 174.646 0.554 18329 2097 1 3 . 1 1 45 45 THR CA C 68 62.000 62.000 61.028 0.972 18329 2098 1 3 . 1 1 45 45 THR CB C 68 69.900 69.900 70.746 -0.846 18329 2099 1 3 . 1 1 45 45 THR H H 68 8.120 8.120 8.304 -0.184 18329 2100 1 3 . 1 1 46 46 GLY N N 69 111.200 111.200 115.152 -3.952 18329 2101 1 3 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.748 -0.548 18329 2102 1 3 . 1 1 46 46 GLY H H 69 8.450 8.450 8.645 -0.195 18329 2103 1 3 . 1 1 47 47 SER CA C 70 58.400 58.400 57.306 1.094 18329 2104 1 3 . 1 1 47 47 SER CB C 70 64.000 64.000 64.341 -0.341 18329 2105 1 3 . 1 1 48 48 GLY N N 71 111.200 111.200 110.053 1.147 18329 2106 1 3 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.130 -1.130 18329 2107 1 3 . 1 1 48 48 GLY H H 71 8.580 8.580 8.542 0.038 18329 2108 1 3 . 1 1 49 49 VAL N N 72 118.910 118.910 116.873 2.037 18329 2109 1 3 . 1 1 49 49 VAL HA H 72 4.130 4.130 3.805 0.325 18329 2110 1 3 . 1 1 49 49 VAL C C 72 176.100 176.100 176.224 -0.124 18329 2111 1 3 . 1 1 49 49 VAL CA C 72 62.100 62.100 62.219 -0.119 18329 2112 1 3 . 1 1 49 49 VAL CB C 72 32.500 32.500 32.135 0.365 18329 2113 1 3 . 1 1 49 49 VAL H H 72 7.860 7.860 7.653 0.207 18329 2114 1 3 . 1 1 50 50 SER N N 73 118.500 118.500 116.593 1.907 18329 2115 1 3 . 1 1 50 50 SER C C 73 176.100 176.100 174.649 1.451 18329 2116 1 3 . 1 1 50 50 SER CA C 73 58.300 58.300 60.270 -1.970 18329 2117 1 3 . 1 1 50 50 SER CB C 73 63.800 63.800 62.623 1.177 18329 2118 1 3 . 1 1 50 50 SER H H 73 8.300 8.300 8.469 -0.169 18329 2119 1 3 . 1 1 51 51 GLU N N 74 122.560 122.560 125.170 -2.610 18329 2120 1 3 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.094 0.176 18329 2121 1 3 . 1 1 51 51 GLU CA C 74 55.700 55.700 56.003 -0.303 18329 2122 1 3 . 1 1 51 51 GLU CB C 74 30.500 30.500 29.171 1.329 18329 2123 1 3 . 1 1 51 51 GLU H H 74 8.360 8.360 8.145 0.215 18329 2124 1 3 . 1 1 52 52 ASN N N 75 122.830 122.830 123.822 -0.992 18329 2125 1 3 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.557 0.263 18329 2126 1 3 . 1 1 52 52 ASN C C 75 174.800 174.800 174.747 0.053 18329 2127 1 3 . 1 1 52 52 ASN CA C 75 51.400 51.400 52.704 -1.304 18329 2128 1 3 . 1 1 52 52 ASN CB C 75 39.200 39.200 38.178 1.022 18329 2129 1 3 . 1 1 52 52 ASN H H 75 8.450 8.450 8.105 0.345 18329 2130 1 3 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.213 -0.033 18329 2131 1 3 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.477 0.723 18329 2132 1 3 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.517 0.483 18329 2133 1 3 . 1 1 54 54 PHE N N 77 118.060 118.060 117.307 0.753 18329 2134 1 3 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.316 -0.046 18329 2135 1 3 . 1 1 54 54 PHE C C 77 177.500 177.500 177.868 -0.368 18329 2136 1 3 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.943 -0.443 18329 2137 1 3 . 1 1 54 54 PHE CB C 77 39.400 39.400 38.747 0.653 18329 2138 1 3 . 1 1 54 54 PHE H H 77 8.430 8.430 8.027 0.403 18329 2139 1 3 . 1 1 55 55 ILE N N 78 119.350 119.350 118.538 0.812 18329 2140 1 3 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.880 -0.380 18329 2141 1 3 . 1 1 55 55 ILE C C 78 177.400 177.400 177.841 -0.441 18329 2142 1 3 . 1 1 55 55 ILE CA C 78 63.500 63.500 64.832 -1.331 18329 2143 1 3 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.822 -0.822 18329 2144 1 3 . 1 1 55 55 ILE H H 78 7.540 7.540 8.030 -0.490 18329 2145 1 3 . 1 1 56 56 LEU N N 79 118.450 118.450 119.752 -1.302 18329 2146 1 3 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.003 0.147 18329 2147 1 3 . 1 1 56 56 LEU C C 79 179.200 179.200 179.262 -0.062 18329 2148 1 3 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.069 -0.270 18329 2149 1 3 . 1 1 56 56 LEU CB C 79 41.100 41.100 40.705 0.395 18329 2150 1 3 . 1 1 56 56 LEU H H 79 7.260 7.260 7.511 -0.251 18329 2151 1 3 . 1 1 57 57 GLU N N 80 117.980 117.980 117.732 0.248 18329 2152 1 3 . 1 1 57 57 GLU HA H 80 3.650 3.650 4.015 -0.365 18329 2153 1 3 . 1 1 57 57 GLU C C 80 178.700 178.700 178.982 -0.282 18329 2154 1 3 . 1 1 57 57 GLU CA C 80 59.300 59.300 59.120 0.180 18329 2155 1 3 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.373 0.127 18329 2156 1 3 . 1 1 57 57 GLU H H 80 7.890 7.890 8.232 -0.342 18329 2157 1 3 . 1 1 58 58 ALA N N 81 122.040 122.040 120.840 1.200 18329 2158 1 3 . 1 1 58 58 ALA HA H 81 3.800 3.800 4.293 -0.493 18329 2159 1 3 . 1 1 58 58 ALA C C 81 179.500 179.500 178.833 0.667 18329 2160 1 3 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.287 0.913 18329 2161 1 3 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.628 0.172 18329 2162 1 3 . 1 1 58 58 ALA H H 81 8.400 8.400 7.815 0.585 18329 2163 1 3 . 1 1 59 59 LYS N N 82 116.000 116.000 119.523 -3.523 18329 2164 1 3 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.097 -0.247 18329 2165 1 3 . 1 1 59 59 LYS C C 82 180.300 180.300 178.596 1.704 18329 2166 1 3 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.534 1.566 18329 2167 1 3 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.647 -0.447 18329 2168 1 3 . 1 1 59 59 LYS H H 82 8.000 8.000 7.474 0.526 18329 2169 1 3 . 1 1 60 60 VAL N N 83 122.920 122.920 115.739 7.181 18329 2170 1 3 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.663 -0.333 18329 2171 1 3 . 1 1 60 60 VAL C C 83 178.300 178.300 178.157 0.143 18329 2172 1 3 . 1 1 60 60 VAL CA C 83 67.900 67.900 64.508 3.392 18329 2173 1 3 . 1 1 60 60 VAL CB C 83 31.200 31.200 30.846 0.354 18329 2174 1 3 . 1 1 60 60 VAL H H 83 8.110 8.110 7.354 0.756 18329 2175 1 3 . 1 1 61 61 ARG N N 84 121.770 121.770 120.070 1.700 18329 2176 1 3 . 1 1 61 61 ARG C C 84 179.500 179.500 178.388 1.112 18329 2177 1 3 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.178 0.022 18329 2178 1 3 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.561 1.239 18329 2179 1 3 . 1 1 61 61 ARG H H 84 8.710 8.710 7.612 1.098 18329 2180 1 3 . 1 1 62 62 ALA N N 85 119.450 119.450 120.888 -1.438 18329 2181 1 3 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.115 -0.225 18329 2182 1 3 . 1 1 62 62 ALA C C 85 179.500 179.500 179.127 0.373 18329 2183 1 3 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.173 -0.173 18329 2184 1 3 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.494 0.506 18329 2185 1 3 . 1 1 62 62 ALA H H 85 8.700 8.700 7.821 0.879 18329 2186 1 3 . 1 1 63 63 THR N N 86 106.650 106.650 109.629 -2.979 18329 2187 1 3 . 1 1 63 63 THR HA H 86 3.970 3.970 4.190 -0.220 18329 2188 1 3 . 1 1 63 63 THR C C 86 177.700 177.700 176.818 0.882 18329 2189 1 3 . 1 1 63 63 THR CA C 86 66.000 66.000 65.437 0.563 18329 2190 1 3 . 1 1 63 63 THR CB C 86 68.200 68.200 68.887 -0.687 18329 2191 1 3 . 1 1 63 63 THR H H 86 8.150 8.150 7.632 0.518 18329 2192 1 3 . 1 1 64 64 THR N N 87 120.430 120.430 120.064 0.366 18329 2193 1 3 . 1 1 64 64 THR HA H 87 4.050 4.050 4.102 -0.052 18329 2194 1 3 . 1 1 64 64 THR C C 87 176.800 176.800 176.411 0.389 18329 2195 1 3 . 1 1 64 64 THR CA C 87 67.300 67.300 67.386 -0.086 18329 2196 1 3 . 1 1 64 64 THR CB C 87 68.600 68.600 68.594 0.006 18329 2197 1 3 . 1 1 64 64 THR H H 87 7.920 7.920 7.995 -0.075 18329 2198 1 3 . 1 1 65 65 VAL N N 88 119.230 119.230 120.340 -1.110 18329 2199 1 3 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.702 0.278 18329 2200 1 3 . 1 1 65 65 VAL C C 88 178.500 178.500 177.400 1.100 18329 2201 1 3 . 1 1 65 65 VAL CA C 88 65.600 65.600 66.357 -0.757 18329 2202 1 3 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.504 0.196 18329 2203 1 3 . 1 1 65 65 VAL H H 88 7.380 7.380 7.565 -0.185 18329 2204 1 3 . 1 1 66 66 ALA N N 89 124.260 124.260 121.439 2.821 18329 2205 1 3 . 1 1 66 66 ALA HA H 89 4.250 4.250 4.016 0.234 18329 2206 1 3 . 1 1 66 66 ALA C C 89 179.900 179.900 179.055 0.845 18329 2207 1 3 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.051 -0.151 18329 2208 1 3 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.111 1.389 18329 2209 1 3 . 1 1 66 66 ALA H H 89 8.390 8.390 7.522 0.868 18329 2210 1 3 . 1 1 67 67 GLU N N 90 120.180 120.180 117.835 2.345 18329 2211 1 3 . 1 1 67 67 GLU HA H 90 3.720 3.720 4.019 -0.299 18329 2212 1 3 . 1 1 67 67 GLU C C 90 177.600 177.600 178.817 -1.217 18329 2213 1 3 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.527 0.373 18329 2214 1 3 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.494 -1.194 18329 2215 1 3 . 1 1 67 67 GLU H H 90 8.520 8.520 8.337 0.183 18329 2216 1 3 . 1 1 68 68 LYS N N 91 116.340 116.340 118.311 -1.971 18329 2217 1 3 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.034 -0.074 18329 2218 1 3 . 1 1 68 68 LYS C C 91 179.200 179.200 178.793 0.407 18329 2219 1 3 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.862 0.938 18329 2220 1 3 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.291 -0.291 18329 2221 1 3 . 1 1 68 68 LYS H H 91 7.210 7.210 7.516 -0.306 18329 2222 1 3 . 1 1 69 69 PHE N N 92 120.990 120.990 120.904 0.086 18329 2223 1 3 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.151 0.359 18329 2224 1 3 . 1 1 69 69 PHE C C 92 175.100 175.100 177.126 -2.026 18329 2225 1 3 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.514 -1.714 18329 2226 1 3 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.086 0.114 18329 2227 1 3 . 1 1 69 69 PHE H H 92 7.180 7.180 7.792 -0.612 18329 2228 1 3 . 1 1 70 70 VAL N N 93 120.330 120.330 117.055 3.275 18329 2229 1 3 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.471 -0.381 18329 2230 1 3 . 1 1 70 70 VAL C C 93 177.500 177.500 177.699 -0.199 18329 2231 1 3 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.210 0.690 18329 2232 1 3 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.367 0.033 18329 2233 1 3 . 1 1 70 70 VAL H H 93 7.930 7.930 7.562 0.368 18329 2234 1 3 . 1 1 71 71 ILE N N 94 120.410 120.410 119.870 0.540 18329 2235 1 3 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.699 0.131 18329 2236 1 3 . 1 1 71 71 ILE C C 94 177.700 177.700 177.800 -0.100 18329 2237 1 3 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.995 0.005 18329 2238 1 3 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.544 -0.244 18329 2239 1 3 . 1 1 71 71 ILE H H 94 8.180 8.180 7.608 0.572 18329 2240 1 3 . 1 1 72 72 ALA N N 95 122.440 122.440 122.486 -0.046 18329 2241 1 3 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.976 -0.016 18329 2242 1 3 . 1 1 72 72 ALA C C 95 179.600 179.600 179.447 0.153 18329 2243 1 3 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.184 0.716 18329 2244 1 3 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.792 -0.592 18329 2245 1 3 . 1 1 72 72 ALA H H 95 7.340 7.340 7.641 -0.301 18329 2246 1 3 . 1 1 73 73 ILE N N 96 119.330 119.330 119.181 0.149 18329 2247 1 3 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.618 -0.178 18329 2248 1 3 . 1 1 73 73 ILE C C 96 177.400 177.400 177.871 -0.471 18329 2249 1 3 . 1 1 73 73 ILE CA C 96 62.800 62.800 62.959 -0.159 18329 2250 1 3 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.218 -1.819 18329 2251 1 3 . 1 1 73 73 ILE H H 96 7.820 7.820 7.007 0.813 18329 2252 1 3 . 1 1 74 74 GLU N N 97 118.440 118.440 121.441 -3.001 18329 2253 1 3 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.818 -0.128 18329 2254 1 3 . 1 1 74 74 GLU C C 97 180.500 180.500 179.022 1.478 18329 2255 1 3 . 1 1 74 74 GLU CA C 97 59.700 59.700 60.218 -0.518 18329 2256 1 3 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.556 0.144 18329 2257 1 3 . 1 1 74 74 GLU H H 97 8.380 8.380 8.077 0.303 18329 2258 1 3 . 1 1 75 75 GLU N N 98 120.470 120.470 118.206 2.264 18329 2259 1 3 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.059 -0.119 18329 2260 1 3 . 1 1 75 75 GLU C C 98 180.600 180.600 178.979 1.621 18329 2261 1 3 . 1 1 75 75 GLU CA C 98 59.700 59.700 58.921 0.779 18329 2262 1 3 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.664 0.536 18329 2263 1 3 . 1 1 75 75 GLU H H 98 8.800 8.800 7.788 1.012 18329 2264 1 3 . 1 1 76 76 GLU N N 99 119.230 119.230 120.424 -1.194 18329 2265 1 3 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.049 0.091 18329 2266 1 3 . 1 1 76 76 GLU C C 99 178.900 178.900 178.628 0.272 18329 2267 1 3 . 1 1 76 76 GLU CA C 99 58.600 58.600 59.076 -0.476 18329 2268 1 3 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.284 0.016 18329 2269 1 3 . 1 1 76 76 GLU H H 99 8.840 8.840 8.165 0.675 18329 2270 1 3 . 1 1 77 77 ALA N N 100 121.950 121.950 120.643 1.307 18329 2271 1 3 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.209 -0.209 18329 2272 1 3 . 1 1 77 77 ALA C C 100 179.000 179.000 179.739 -0.739 18329 2273 1 3 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.418 0.882 18329 2274 1 3 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.465 -1.665 18329 2275 1 3 . 1 1 77 77 ALA H H 100 9.400 9.400 8.344 1.056 18329 2276 1 3 . 1 1 78 78 THR N N 101 111.820 111.820 113.748 -1.928 18329 2277 1 3 . 1 1 78 78 THR HA H 101 3.750 3.750 3.978 -0.228 18329 2278 1 3 . 1 1 78 78 THR CA C 101 67.500 67.500 66.114 1.386 18329 2279 1 3 . 1 1 78 78 THR CB C 101 68.600 68.600 68.553 0.047 18329 2280 1 3 . 1 1 78 78 THR H H 101 7.770 7.770 7.546 0.224 18329 2281 1 3 . 1 1 79 79 LYS N N 102 122.940 122.940 119.465 3.475 18329 2282 1 3 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.113 -0.023 18329 2283 1 3 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.431 0.769 18329 2284 1 3 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.572 -0.072 18329 2285 1 3 . 1 1 79 79 LYS H H 102 7.870 7.870 7.470 0.400 18329 2286 1 3 . 1 1 80 80 LEU N N 103 117.690 117.690 117.232 0.458 18329 2287 1 3 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.348 0.142 18329 2288 1 3 . 1 1 80 80 LEU C C 103 178.140 178.140 177.039 1.101 18329 2289 1 3 . 1 1 80 80 LEU CA C 103 54.000 54.000 55.189 -1.189 18329 2290 1 3 . 1 1 80 80 LEU CB C 103 43.100 43.100 41.585 1.515 18329 2291 1 3 . 1 1 80 80 LEU H H 103 7.550 7.550 7.801 -0.251 18329 2292 1 3 . 1 1 81 81 LYS N N 104 122.210 122.210 116.505 5.705 18329 2293 1 3 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.919 0.011 18329 2294 1 3 . 1 1 81 81 LYS C C 104 178.000 178.000 177.003 0.997 18329 2295 1 3 . 1 1 81 81 LYS CA C 104 61.300 61.300 57.748 3.552 18329 2296 1 3 . 1 1 81 81 LYS CB C 104 32.800 32.800 30.576 2.224 18329 2297 1 3 . 1 1 81 81 LYS H H 104 7.500 7.500 7.603 -0.103 18329 2298 1 3 . 1 1 82 82 GLU N N 105 114.920 114.920 120.494 -5.574 18329 2299 1 3 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.108 0.452 18329 2300 1 3 . 1 1 82 82 GLU C C 105 177.900 177.900 176.955 0.945 18329 2301 1 3 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.078 0.582 18329 2302 1 3 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.665 0.735 18329 2303 1 3 . 1 1 82 82 GLU H H 105 8.780 8.780 8.376 0.404 18329 2304 1 3 . 1 1 83 83 THR N N 106 107.260 107.260 113.145 -5.885 18329 2305 1 3 . 1 1 83 83 THR HA H 106 4.550 4.550 4.038 0.512 18329 2306 1 3 . 1 1 83 83 THR C C 106 176.300 176.300 174.088 2.212 18329 2307 1 3 . 1 1 83 83 THR CA C 106 61.900 61.900 62.522 -0.621 18329 2308 1 3 . 1 1 83 83 THR CB C 106 70.400 70.400 68.529 1.871 18329 2309 1 3 . 1 1 83 83 THR H H 106 7.570 7.570 8.351 -0.781 18329 2310 1 3 . 1 1 84 84 GLY N N 107 112.110 112.110 107.296 4.814 18329 2311 1 3 . 1 1 84 84 GLY C C 107 172.800 172.800 173.466 -0.666 18329 2312 1 3 . 1 1 84 84 GLY CA C 107 45.400 45.400 44.337 1.063 18329 2313 1 3 . 1 1 84 84 GLY H H 107 9.000 9.000 7.855 1.145 18329 2314 1 3 . 1 1 85 85 SER N N 108 119.030 119.030 115.641 3.389 18329 2315 1 3 . 1 1 85 85 SER CA C 108 56.300 56.300 57.522 -1.222 18329 2316 1 3 . 1 1 85 85 SER CB C 108 66.300 66.300 65.462 0.838 18329 2317 1 3 . 1 1 85 85 SER H H 108 8.950 8.950 8.210 0.740 18329 2318 1 3 . 1 1 86 86 SER HA H 109 4.480 4.480 4.437 0.043 18329 2319 1 3 . 1 1 86 86 SER C C 109 177.000 177.000 176.860 0.140 18329 2320 1 3 . 1 1 86 86 SER CA C 109 61.600 61.600 60.729 0.871 18329 2321 1 3 . 1 1 86 86 SER CB C 109 62.900 62.900 63.095 -0.195 18329 2322 1 3 . 1 1 87 87 GLY N N 110 108.100 108.100 109.425 -1.325 18329 2323 1 3 . 1 1 87 87 GLY C C 110 177.100 177.100 176.439 0.661 18329 2324 1 3 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.975 -0.775 18329 2325 1 3 . 1 1 87 87 GLY H H 110 8.480 8.480 8.493 -0.013 18329 2326 1 3 . 1 1 88 88 GLU N N 111 123.040 123.040 122.398 0.642 18329 2327 1 3 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.067 -0.377 18329 2328 1 3 . 1 1 88 88 GLU C C 111 177.700 177.700 178.907 -1.207 18329 2329 1 3 . 1 1 88 88 GLU CA C 111 59.500 59.500 59.011 0.489 18329 2330 1 3 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.021 -0.321 18329 2331 1 3 . 1 1 88 88 GLU H H 111 7.560 7.560 7.550 0.010 18329 2332 1 3 . 1 1 89 89 PHE N N 112 118.270 118.270 119.297 -1.027 18329 2333 1 3 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.305 0.115 18329 2334 1 3 . 1 1 89 89 PHE C C 112 178.600 178.600 177.789 0.811 18329 2335 1 3 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.284 -0.184 18329 2336 1 3 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.760 -0.860 18329 2337 1 3 . 1 1 89 89 PHE H H 112 7.200 7.200 7.862 -0.662 18329 2338 1 3 . 1 1 90 90 SER N N 113 115.980 115.980 115.255 0.725 18329 2339 1 3 . 1 1 90 90 SER HA H 113 4.290 4.290 4.135 0.155 18329 2340 1 3 . 1 1 90 90 SER C C 113 178.600 178.600 176.489 2.111 18329 2341 1 3 . 1 1 90 90 SER CA C 113 62.700 62.700 62.080 0.621 18329 2342 1 3 . 1 1 90 90 SER CB C 113 62.800 62.800 62.901 -0.101 18329 2343 1 3 . 1 1 90 90 SER H H 113 8.830 8.830 8.385 0.445 18329 2344 1 3 . 1 1 91 91 ALA N N 114 123.130 123.130 121.907 1.223 18329 2345 1 3 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.249 0.131 18329 2346 1 3 . 1 1 91 91 ALA C C 114 181.300 181.300 179.583 1.717 18329 2347 1 3 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.611 0.089 18329 2348 1 3 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.354 0.046 18329 2349 1 3 . 1 1 91 91 ALA H H 114 7.580 7.580 7.626 -0.046 18329 2350 1 3 . 1 1 92 92 MET N N 115 118.700 118.700 119.342 -0.642 18329 2351 1 3 . 1 1 92 92 MET HA H 115 3.980 3.980 4.325 -0.345 18329 2352 1 3 . 1 1 92 92 MET C C 115 178.000 178.000 177.687 0.313 18329 2353 1 3 . 1 1 92 92 MET CA C 115 61.000 61.000 57.676 3.324 18329 2354 1 3 . 1 1 92 92 MET CB C 115 31.400 31.400 32.699 -1.299 18329 2355 1 3 . 1 1 92 92 MET H H 115 7.880 7.880 7.821 0.059 18329 2356 1 3 . 1 1 93 93 TYR N N 116 119.200 119.200 120.107 -0.907 18329 2357 1 3 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.199 0.081 18329 2358 1 3 . 1 1 93 93 TYR C C 116 176.300 176.300 177.525 -1.225 18329 2359 1 3 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.836 0.264 18329 2360 1 3 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.592 -0.291 18329 2361 1 3 . 1 1 93 93 TYR H H 116 7.870 7.870 8.460 -0.590 18329 2362 1 3 . 1 1 94 94 ASP N N 117 120.210 120.210 119.803 0.407 18329 2363 1 3 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.491 -0.301 18329 2364 1 3 . 1 1 94 94 ASP C C 117 179.000 179.000 178.582 0.418 18329 2365 1 3 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.161 0.539 18329 2366 1 3 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.754 -0.754 18329 2367 1 3 . 1 1 94 94 ASP H H 117 8.720 8.720 7.976 0.744 18329 2368 1 3 . 1 1 95 95 LEU N N 118 118.420 118.420 120.465 -2.045 18329 2369 1 3 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.050 0.160 18329 2370 1 3 . 1 1 95 95 LEU C C 118 178.600 178.600 178.192 0.408 18329 2371 1 3 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.609 0.091 18329 2372 1 3 . 1 1 95 95 LEU CB C 118 43.100 43.100 42.064 1.036 18329 2373 1 3 . 1 1 95 95 LEU H H 118 7.510 7.510 7.187 0.323 18329 2374 1 3 . 1 1 96 96 MET N N 119 118.470 118.470 118.947 -0.477 18329 2375 1 3 . 1 1 96 96 MET HA H 119 3.990 3.990 3.843 0.147 18329 2376 1 3 . 1 1 96 96 MET C C 119 177.500 177.500 177.944 -0.444 18329 2377 1 3 . 1 1 96 96 MET CA C 119 60.500 60.500 57.836 2.664 18329 2378 1 3 . 1 1 96 96 MET CB C 119 33.900 33.900 32.010 1.890 18329 2379 1 3 . 1 1 96 96 MET H H 119 7.820 7.820 7.656 0.164 18329 2380 1 3 . 1 1 97 97 PHE N N 120 119.580 119.580 118.496 1.084 18329 2381 1 3 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.014 -0.204 18329 2382 1 3 . 1 1 97 97 PHE C C 120 178.800 178.800 176.892 1.908 18329 2383 1 3 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.996 -0.196 18329 2384 1 3 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.986 0.214 18329 2385 1 3 . 1 1 97 97 PHE H H 120 8.940 8.940 7.702 1.238 18329 2386 1 3 . 1 1 98 98 GLU N N 121 119.940 119.940 118.574 1.366 18329 2387 1 3 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.049 -0.169 18329 2388 1 3 . 1 1 98 98 GLU C C 121 180.800 180.800 179.173 1.627 18329 2389 1 3 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.391 0.409 18329 2390 1 3 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.520 -0.320 18329 2391 1 3 . 1 1 98 98 GLU H H 121 8.690 8.690 7.836 0.854 18329 2392 1 3 . 1 1 99 99 VAL N N 122 115.350 115.350 116.085 -0.735 18329 2393 1 3 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.723 0.017 18329 2394 1 3 . 1 1 99 99 VAL C C 122 176.500 176.500 177.519 -1.019 18329 2395 1 3 . 1 1 99 99 VAL CA C 122 64.500 64.500 65.176 -0.676 18329 2396 1 3 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.192 0.108 18329 2397 1 3 . 1 1 99 99 VAL H H 122 8.210 8.210 7.604 0.606 18329 2398 1 3 . 1 1 100 100 SER N N 123 115.450 115.450 114.527 0.923 18329 2399 1 3 . 1 1 100 100 SER HA H 123 4.270 4.270 4.000 0.270 18329 2400 1 3 . 1 1 100 100 SER C C 123 174.700 174.700 175.803 -1.103 18329 2401 1 3 . 1 1 100 100 SER CA C 123 62.000 62.000 61.000 1.000 18329 2402 1 3 . 1 1 100 100 SER H H 123 7.520 7.520 8.052 -0.532 18329 2403 1 3 . 1 1 101 101 LYS N N 124 120.310 120.310 120.798 -0.488 18329 2404 1 3 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.140 -0.170 18329 2405 1 3 . 1 1 101 101 LYS C C 124 176.600 176.600 176.524 0.076 18329 2406 1 3 . 1 1 101 101 LYS CA C 124 61.100 61.100 60.103 0.997 18329 2407 1 3 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.140 -1.640 18329 2408 1 3 . 1 1 101 101 LYS H H 124 6.930 6.930 7.204 -0.274 18329 2409 1 3 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.129 0.131 18329 2410 1 3 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.653 -0.453 18329 2411 1 3 . 1 1 102 102 PRO CB C 125 30.600 30.600 30.934 -0.334 18329 2412 1 3 . 1 1 103 103 LEU N N 126 116.020 116.020 114.196 1.824 18329 2413 1 3 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.046 -0.166 18329 2414 1 3 . 1 1 103 103 LEU C C 126 177.900 177.900 179.603 -1.703 18329 2415 1 3 . 1 1 103 103 LEU CA C 126 57.700 57.700 56.495 1.204 18329 2416 1 3 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.334 0.466 18329 2417 1 3 . 1 1 103 103 LEU H H 126 6.520 6.520 7.391 -0.871 18329 2418 1 3 . 1 1 104 104 GLN N N 127 120.500 120.500 120.007 0.493 18329 2419 1 3 . 1 1 104 104 GLN C C 127 180.600 180.600 178.088 2.512 18329 2420 1 3 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.955 -0.655 18329 2421 1 3 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.526 0.474 18329 2422 1 3 . 1 1 104 104 GLN H H 127 8.160 8.160 8.651 -0.491 18329 2423 1 3 . 1 1 105 105 LYS N N 128 120.000 120.000 116.762 3.238 18329 2424 1 3 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.056 -0.006 18329 2425 1 3 . 1 1 105 105 LYS C C 128 177.100 177.100 177.180 -0.080 18329 2426 1 3 . 1 1 105 105 LYS CA C 128 58.500 58.500 57.637 0.863 18329 2427 1 3 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.039 -0.639 18329 2428 1 3 . 1 1 105 105 LYS H H 128 7.810 7.810 7.706 0.104 18329 2429 1 3 . 1 1 106 106 LEU N N 129 118.530 118.530 117.948 0.582 18329 2430 1 3 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.318 -0.348 18329 2431 1 3 . 1 1 106 106 LEU C C 129 175.200 175.200 175.731 -0.531 18329 2432 1 3 . 1 1 106 106 LEU CA C 129 54.500 54.500 53.611 0.888 18329 2433 1 3 . 1 1 106 106 LEU CB C 129 42.400 42.400 42.760 -0.360 18329 2434 1 3 . 1 1 106 106 LEU H H 129 7.220 7.220 7.069 0.151 18329 2435 1 3 . 1 1 107 107 GLY N N 130 101.490 101.490 108.115 -6.625 18329 2436 1 3 . 1 1 107 107 GLY C C 130 174.800 174.800 173.942 0.858 18329 2437 1 3 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.424 0.676 18329 2438 1 3 . 1 1 107 107 GLY H H 130 7.560 7.560 7.563 -0.003 18329 2439 1 3 . 1 1 108 108 ILE N N 131 121.340 121.340 115.154 6.186 18329 2440 1 3 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.581 0.569 18329 2441 1 3 . 1 1 108 108 ILE C C 131 174.300 174.300 175.778 -1.478 18329 2442 1 3 . 1 1 108 108 ILE CA C 131 60.400 60.400 62.598 -2.198 18329 2443 1 3 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.044 -1.845 18329 2444 1 3 . 1 1 108 108 ILE H H 131 7.290 7.290 8.230 -0.940 18329 2445 1 3 . 1 1 109 109 GLN N N 132 125.650 125.650 119.685 5.965 18329 2446 1 3 . 1 1 109 109 GLN HA H 132 4.010 4.010 3.885 0.125 18329 2447 1 3 . 1 1 109 109 GLN C C 132 176.800 176.800 176.120 0.680 18329 2448 1 3 . 1 1 109 109 GLN CA C 132 57.600 57.600 57.608 -0.008 18329 2449 1 3 . 1 1 109 109 GLN CB C 132 29.000 29.000 29.033 -0.033 18329 2450 1 3 . 1 1 109 109 GLN H H 132 8.080 8.080 8.050 0.030 18329 2451 1 3 . 1 1 110 110 GLU N N 133 114.890 114.890 114.824 0.066 18329 2452 1 3 . 1 1 110 110 GLU HA H 133 4.150 4.150 3.850 0.300 18329 2453 1 3 . 1 1 110 110 GLU C C 133 177.100 177.100 177.942 -0.842 18329 2454 1 3 . 1 1 110 110 GLU CA C 133 57.100 57.100 58.166 -1.066 18329 2455 1 3 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.757 -1.457 18329 2456 1 3 . 1 1 110 110 GLU H H 133 9.270 9.270 8.621 0.649 18329 2457 1 3 . 1 1 111 111 MET N N 134 121.210 121.210 117.024 4.186 18329 2458 1 3 . 1 1 111 111 MET HA H 134 4.350 4.350 4.124 0.226 18329 2459 1 3 . 1 1 111 111 MET C C 134 177.500 177.500 178.435 -0.935 18329 2460 1 3 . 1 1 111 111 MET CA C 134 57.900 57.900 58.865 -0.965 18329 2461 1 3 . 1 1 111 111 MET CB C 134 33.300 33.300 31.851 1.449 18329 2462 1 3 . 1 1 111 111 MET H H 134 7.620 7.620 8.212 -0.592 18329 2463 1 3 . 1 1 112 112 THR N N 135 113.170 113.170 109.491 3.679 18329 2464 1 3 . 1 1 112 112 THR HA H 135 3.920 3.920 4.102 -0.182 18329 2465 1 3 . 1 1 112 112 THR C C 135 176.400 176.400 176.755 -0.355 18329 2466 1 3 . 1 1 112 112 THR CA C 135 65.900 65.900 65.018 0.882 18329 2467 1 3 . 1 1 112 112 THR CB C 135 68.200 68.200 68.416 -0.216 18329 2468 1 3 . 1 1 112 112 THR H H 135 8.320 8.320 8.569 -0.249 18329 2469 1 3 . 1 1 113 113 LYS N N 136 123.440 123.440 123.095 0.345 18329 2470 1 3 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.173 -0.243 18329 2471 1 3 . 1 1 113 113 LYS C C 136 177.600 177.600 178.219 -0.619 18329 2472 1 3 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.364 -1.065 18329 2473 1 3 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.112 -0.112 18329 2474 1 3 . 1 1 113 113 LYS H H 136 8.060 8.060 7.622 0.438 18329 2475 1 3 . 1 1 114 114 THR N N 137 114.590 114.590 117.144 -2.554 18329 2476 1 3 . 1 1 114 114 THR HA H 137 4.000 4.000 3.946 0.054 18329 2477 1 3 . 1 1 114 114 THR C C 137 176.800 176.800 176.710 0.090 18329 2478 1 3 . 1 1 114 114 THR CA C 137 67.600 67.600 66.945 0.655 18329 2479 1 3 . 1 1 114 114 THR CB C 137 69.200 69.200 68.799 0.401 18329 2480 1 3 . 1 1 114 114 THR H H 137 7.950 7.950 8.136 -0.186 18329 2481 1 3 . 1 1 115 115 VAL N N 138 119.080 119.080 120.230 -1.150 18329 2482 1 3 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.741 0.079 18329 2483 1 3 . 1 1 115 115 VAL C C 138 176.900 176.900 177.167 -0.267 18329 2484 1 3 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.777 1.023 18329 2485 1 3 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.779 0.721 18329 2486 1 3 . 1 1 115 115 VAL H H 138 7.320 7.320 7.549 -0.229 18329 2487 1 3 . 1 1 116 116 SER N N 139 116.630 116.630 115.958 0.672 18329 2488 1 3 . 1 1 116 116 SER HA H 139 4.680 4.680 4.257 0.423 18329 2489 1 3 . 1 1 116 116 SER C C 139 179.000 179.000 176.450 2.550 18329 2490 1 3 . 1 1 116 116 SER CA C 139 61.400 61.400 61.180 0.220 18329 2491 1 3 . 1 1 116 116 SER CB C 139 62.800 62.800 62.782 0.018 18329 2492 1 3 . 1 1 116 116 SER H H 139 8.990 8.990 7.800 1.190 18329 2493 1 3 . 1 1 117 117 ASP N N 140 124.220 124.220 121.426 2.794 18329 2494 1 3 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.383 -0.023 18329 2495 1 3 . 1 1 117 117 ASP C C 140 179.900 179.900 178.178 1.722 18329 2496 1 3 . 1 1 117 117 ASP CA C 140 57.300 57.300 57.094 0.206 18329 2497 1 3 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.846 -1.347 18329 2498 1 3 . 1 1 117 117 ASP H H 140 9.480 9.480 7.840 1.640 18329 2499 1 3 . 1 1 118 118 ALA N N 141 121.420 121.420 122.598 -1.178 18329 2500 1 3 . 1 1 118 118 ALA HA H 141 4.280 4.280 3.982 0.298 18329 2501 1 3 . 1 1 118 118 ALA C C 141 179.800 179.800 178.943 0.857 18329 2502 1 3 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.995 -0.595 18329 2503 1 3 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.457 0.543 18329 2504 1 3 . 1 1 118 118 ALA H H 141 7.340 7.340 7.470 -0.130 18329 2505 1 3 . 1 1 119 119 ALA N N 142 121.680 121.680 119.527 2.153 18329 2506 1 3 . 1 1 119 119 ALA HA H 142 4.130 4.130 3.939 0.191 18329 2507 1 3 . 1 1 119 119 ALA C C 142 178.800 178.800 178.943 -0.143 18329 2508 1 3 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.245 -1.045 18329 2509 1 3 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.616 -0.316 18329 2510 1 3 . 1 1 119 119 ALA H H 142 7.890 7.890 7.649 0.241 18329 2511 1 3 . 1 1 120 120 GLU N N 143 117.690 117.690 117.367 0.323 18329 2512 1 3 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.298 -0.358 18329 2513 1 3 . 1 1 120 120 GLU C C 143 178.100 178.100 175.488 2.612 18329 2514 1 3 . 1 1 120 120 GLU CA C 143 58.700 58.700 56.946 1.754 18329 2515 1 3 . 1 1 120 120 GLU CB C 143 29.500 29.500 28.389 1.111 18329 2516 1 3 . 1 1 120 120 GLU H H 143 7.500 7.500 7.861 -0.361 18329 2517 1 3 . 1 1 121 121 GLU N N 144 115.680 115.680 120.626 -4.946 18329 2518 1 3 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.337 -0.177 18329 2519 1 3 . 1 1 121 121 GLU C C 144 176.100 176.100 174.973 1.127 18329 2520 1 3 . 1 1 121 121 GLU CA C 144 56.900 56.900 56.937 -0.037 18329 2521 1 3 . 1 1 121 121 GLU CB C 144 31.100 31.100 31.554 -0.454 18329 2522 1 3 . 1 1 121 121 GLU H H 144 6.970 6.970 8.226 -1.256 18329 2523 1 3 . 1 1 122 122 ASN N N 145 117.750 117.750 117.724 0.026 18329 2524 1 3 . 1 1 122 122 ASN HA H 145 4.990 4.990 4.913 0.077 18329 2525 1 3 . 1 1 122 122 ASN C C 145 185.300 185.300 172.292 13.008 18329 2526 1 3 . 1 1 122 122 ASN CA C 145 50.200 50.200 52.154 -1.954 18329 2527 1 3 . 1 1 122 122 ASN CB C 145 41.100 41.100 37.595 3.505 18329 2528 1 3 . 1 1 122 122 ASN H H 145 7.670 7.670 7.753 -0.083 18329 2529 1 3 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.399 0.231 18329 2530 1 3 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.688 -1.688 18329 2531 1 3 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.474 -0.174 18329 2532 1 3 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.253 0.187 18329 2533 1 3 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.218 -0.318 18329 2534 1 3 . 1 1 124 124 PRO CB C 147 28.400 28.400 30.079 -1.679 18329 2535 1 3 . 1 1 125 125 THR N N 148 106.090 106.090 110.672 -4.582 18329 2536 1 3 . 1 1 125 125 THR HA H 148 4.530 4.530 4.044 0.486 18329 2537 1 3 . 1 1 125 125 THR C C 148 174.300 174.300 174.237 0.063 18329 2538 1 3 . 1 1 125 125 THR CA C 148 61.200 61.200 63.517 -2.317 18329 2539 1 3 . 1 1 125 125 THR CB C 148 68.600 68.600 68.537 0.063 18329 2540 1 3 . 1 1 125 125 THR H H 148 7.800 7.800 8.343 -0.543 18329 2541 1 3 . 1 1 126 126 THR N N 149 108.650 108.650 107.960 0.690 18329 2542 1 3 . 1 1 126 126 THR HA H 149 4.170 4.170 4.440 -0.270 18329 2543 1 3 . 1 1 126 126 THR C C 149 173.100 173.100 173.701 -0.601 18329 2544 1 3 . 1 1 126 126 THR CA C 149 58.800 58.800 58.794 0.006 18329 2545 1 3 . 1 1 126 126 THR CB C 149 73.100 73.100 72.122 0.978 18329 2546 1 3 . 1 1 126 126 THR H H 149 7.350 7.350 6.956 0.394 18329 2547 1 3 . 1 1 127 127 ALA N N 150 123.270 123.270 122.468 0.802 18329 2548 1 3 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.300 -0.280 18329 2549 1 3 . 1 1 127 127 ALA CA C 150 55.000 55.000 54.511 0.489 18329 2550 1 3 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.720 -0.020 18329 2551 1 3 . 1 1 127 127 ALA H H 150 7.750 7.750 8.726 -0.976 18329 2552 1 3 . 1 1 128 128 GLN N N 151 114.920 114.920 116.545 -1.625 18329 2553 1 3 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.002 -0.252 18329 2554 1 3 . 1 1 128 128 GLN C C 151 178.400 178.400 178.142 0.258 18329 2555 1 3 . 1 1 128 128 GLN CA C 151 58.800 58.800 57.836 0.964 18329 2556 1 3 . 1 1 128 128 GLN CB C 151 27.200 27.200 27.979 -0.779 18329 2557 1 3 . 1 1 128 128 GLN H H 151 8.300 8.300 8.521 -0.221 18329 2558 1 3 . 1 1 129 129 GLY N N 152 107.280 107.280 107.166 0.114 18329 2559 1 3 . 1 1 129 129 GLY C C 152 174.900 174.900 175.723 -0.823 18329 2560 1 3 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.608 0.592 18329 2561 1 3 . 1 1 129 129 GLY H H 152 7.920 7.920 7.644 0.276 18329 2562 1 3 . 1 1 130 130 VAL N N 153 119.440 119.440 121.162 -1.722 18329 2563 1 3 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.718 -0.248 18329 2564 1 3 . 1 1 130 130 VAL C C 153 177.700 177.700 177.199 0.501 18329 2565 1 3 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.282 2.518 18329 2566 1 3 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.203 0.497 18329 2567 1 3 . 1 1 130 130 VAL H H 153 7.390 7.390 7.125 0.265 18329 2568 1 3 . 1 1 131 131 LEU N N 154 118.990 118.990 119.161 -0.171 18329 2569 1 3 . 1 1 131 131 LEU HA H 154 3.910 3.910 4.022 -0.112 18329 2570 1 3 . 1 1 131 131 LEU C C 154 180.400 180.400 179.073 1.327 18329 2571 1 3 . 1 1 131 131 LEU CA C 154 58.300 58.300 57.792 0.507 18329 2572 1 3 . 1 1 131 131 LEU CB C 154 41.000 41.000 40.499 0.501 18329 2573 1 3 . 1 1 131 131 LEU H H 154 8.640 8.640 7.399 1.241 18329 2574 1 3 . 1 1 132 132 GLU N N 155 120.980 120.980 119.724 1.256 18329 2575 1 3 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.079 0.041 18329 2576 1 3 . 1 1 132 132 GLU C C 155 179.400 179.400 178.950 0.450 18329 2577 1 3 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.428 -0.528 18329 2578 1 3 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.236 -0.036 18329 2579 1 3 . 1 1 132 132 GLU H H 155 8.000 8.000 7.629 0.371 18329 2580 1 3 . 1 1 133 133 ILE N N 156 121.830 121.830 119.388 2.442 18329 2581 1 3 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.848 -0.268 18329 2582 1 3 . 1 1 133 133 ILE C C 156 178.000 178.000 177.769 0.231 18329 2583 1 3 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.608 1.892 18329 2584 1 3 . 1 1 133 133 ILE CB C 156 39.600 39.600 37.925 1.675 18329 2585 1 3 . 1 1 133 133 ILE H H 156 8.040 8.040 7.194 0.846 18329 2586 1 3 . 1 1 134 134 ALA N N 157 121.470 121.470 122.552 -1.082 18329 2587 1 3 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.902 -0.002 18329 2588 1 3 . 1 1 134 134 ALA C C 157 178.800 178.800 179.252 -0.452 18329 2589 1 3 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.640 -0.340 18329 2590 1 3 . 1 1 134 134 ALA CB C 157 18.100 18.100 17.902 0.198 18329 2591 1 3 . 1 1 134 134 ALA H H 157 8.950 8.950 8.529 0.421 18329 2592 1 3 . 1 1 135 135 LYS N N 158 118.470 118.470 118.210 0.260 18329 2593 1 3 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.891 0.019 18329 2594 1 3 . 1 1 135 135 LYS C C 158 179.300 179.300 178.795 0.505 18329 2595 1 3 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.933 -0.433 18329 2596 1 3 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.326 -0.926 18329 2597 1 3 . 1 1 135 135 LYS H H 158 8.000 8.000 7.966 0.034 18329 2598 1 3 . 1 1 136 136 LYS N N 159 118.000 118.000 118.436 -0.436 18329 2599 1 3 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.080 -0.030 18329 2600 1 3 . 1 1 136 136 LYS C C 159 180.200 180.200 179.588 0.612 18329 2601 1 3 . 1 1 136 136 LYS CA C 159 59.500 59.500 58.839 0.661 18329 2602 1 3 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.007 -1.107 18329 2603 1 3 . 1 1 136 136 LYS H H 159 7.530 7.530 7.444 0.086 18329 2604 1 3 . 1 1 137 137 MET N N 160 120.990 120.990 119.416 1.574 18329 2605 1 3 . 1 1 137 137 MET HA H 160 3.800 3.800 4.203 -0.403 18329 2606 1 3 . 1 1 137 137 MET C C 160 177.400 177.400 178.628 -1.228 18329 2607 1 3 . 1 1 137 137 MET CA C 160 60.600 60.600 59.459 1.141 18329 2608 1 3 . 1 1 137 137 MET CB C 160 31.800 31.800 32.654 -0.854 18329 2609 1 3 . 1 1 137 137 MET H H 160 8.660 8.660 8.214 0.446 18329 2610 1 3 . 1 1 138 138 ARG N N 161 119.480 119.480 119.598 -0.118 18329 2611 1 3 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.873 -0.073 18329 2612 1 3 . 1 1 138 138 ARG C C 161 177.900 177.900 178.324 -0.424 18329 2613 1 3 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.940 0.660 18329 2614 1 3 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.350 -0.550 18329 2615 1 3 . 1 1 138 138 ARG H H 161 9.280 9.280 8.768 0.512 18329 2616 1 3 . 1 1 139 139 GLU N N 162 118.700 118.700 119.884 -1.184 18329 2617 1 3 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.047 -0.047 18329 2618 1 3 . 1 1 139 139 GLU C C 162 179.100 179.100 178.758 0.342 18329 2619 1 3 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.388 0.412 18329 2620 1 3 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.275 0.225 18329 2621 1 3 . 1 1 139 139 GLU H H 162 8.430 8.430 8.404 0.026 18329 2622 1 3 . 1 1 140 140 LYS N N 163 119.310 119.310 119.401 -0.091 18329 2623 1 3 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.087 0.123 18329 2624 1 3 . 1 1 140 140 LYS C C 163 177.900 177.900 179.281 -1.381 18329 2625 1 3 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.672 0.228 18329 2626 1 3 . 1 1 140 140 LYS CB C 163 31.100 31.100 31.975 -0.875 18329 2627 1 3 . 1 1 140 140 LYS H H 163 7.440 7.440 7.667 -0.227 18329 2628 1 3 . 1 1 141 141 LEU N N 164 117.630 117.630 119.168 -1.538 18329 2629 1 3 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.005 -0.115 18329 2630 1 3 . 1 1 141 141 LEU C C 164 178.700 178.700 179.301 -0.601 18329 2631 1 3 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.808 0.192 18329 2632 1 3 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.902 -0.402 18329 2633 1 3 . 1 1 141 141 LEU H H 164 8.180 8.180 7.598 0.582 18329 2634 1 3 . 1 1 142 142 GLN N N 165 117.710 117.710 117.814 -0.104 18329 2635 1 3 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.996 0.314 18329 2636 1 3 . 1 1 142 142 GLN C C 165 179.200 179.200 178.529 0.671 18329 2637 1 3 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.153 -0.653 18329 2638 1 3 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.620 -1.120 18329 2639 1 3 . 1 1 142 142 GLN H H 165 8.730 8.730 8.331 0.399 18329 2640 1 3 . 1 1 143 143 ARG N N 166 121.410 121.410 121.138 0.272 18329 2641 1 3 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.073 0.117 18329 2642 1 3 . 1 1 143 143 ARG C C 166 179.700 179.700 178.477 1.223 18329 2643 1 3 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.982 -0.182 18329 2644 1 3 . 1 1 143 143 ARG CB C 166 30.200 30.200 30.312 -0.112 18329 2645 1 3 . 1 1 143 143 ARG H H 166 8.050 8.050 8.285 -0.235 18329 2646 1 3 . 1 1 144 144 VAL N N 167 120.950 120.950 118.886 2.064 18329 2647 1 3 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.789 -0.029 18329 2648 1 3 . 1 1 144 144 VAL C C 167 179.200 179.200 177.237 1.963 18329 2649 1 3 . 1 1 144 144 VAL CA C 167 66.400 66.400 65.567 0.833 18329 2650 1 3 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.889 0.211 18329 2651 1 3 . 1 1 144 144 VAL H H 167 8.190 8.190 7.691 0.499 18329 2652 1 3 . 1 1 145 145 HIS N N 168 123.520 123.520 119.393 4.127 18329 2653 1 3 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.482 -0.583 18329 2654 1 3 . 1 1 145 145 HIS C C 168 177.100 177.100 177.459 -0.359 18329 2655 1 3 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.529 1.772 18329 2656 1 3 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.104 -0.204 18329 2657 1 3 . 1 1 145 145 HIS H H 168 9.240 9.240 7.957 1.283 18329 2658 1 3 . 1 1 146 146 THR N N 169 115.020 115.020 116.266 -1.246 18329 2659 1 3 . 1 1 146 146 THR HA H 169 3.860 3.860 4.202 -0.342 18329 2660 1 3 . 1 1 146 146 THR C C 169 175.700 175.700 176.447 -0.747 18329 2661 1 3 . 1 1 146 146 THR CA C 169 67.200 67.200 67.033 0.167 18329 2662 1 3 . 1 1 146 146 THR CB C 169 69.300 69.300 68.694 0.606 18329 2663 1 3 . 1 1 146 146 THR H H 169 8.750 8.750 8.606 0.144 18329 2664 1 3 . 1 1 147 147 LYS N N 170 120.300 120.300 121.561 -1.261 18329 2665 1 3 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.919 0.081 18329 2666 1 3 . 1 1 147 147 LYS C C 170 179.300 179.300 178.519 0.781 18329 2667 1 3 . 1 1 147 147 LYS CA C 170 59.100 59.100 60.243 -1.143 18329 2668 1 3 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.287 -0.487 18329 2669 1 3 . 1 1 147 147 LYS H H 170 8.020 8.020 7.986 0.034 18329 2670 1 3 . 1 1 148 148 ASN N N 171 117.600 117.600 117.569 0.031 18329 2671 1 3 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.482 -0.162 18329 2672 1 3 . 1 1 148 148 ASN C C 171 175.400 175.400 178.042 -2.642 18329 2673 1 3 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.915 1.785 18329 2674 1 3 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.425 1.275 18329 2675 1 3 . 1 1 148 148 ASN H H 171 7.810 7.810 7.663 0.147 18329 2676 1 3 . 1 1 149 149 TYR N N 172 121.560 121.560 121.735 -0.175 18329 2677 1 3 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.275 -0.385 18329 2678 1 3 . 1 1 149 149 TYR C C 172 176.900 176.900 177.377 -0.477 18329 2679 1 3 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.722 -0.222 18329 2680 1 3 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.546 0.374 18329 2681 1 3 . 1 1 149 149 TYR H H 172 9.020 9.020 8.254 0.766 18329 2682 1 3 . 1 1 150 150 CYS N N 173 116.050 116.050 118.379 -2.329 18329 2683 1 3 . 1 1 150 150 CYS C C 173 177.100 177.100 176.640 0.460 18329 2684 1 3 . 1 1 150 150 CYS CA C 173 58.400 58.400 60.491 -2.091 18329 2685 1 3 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.278 12.322 18329 2686 1 3 . 1 1 150 150 CYS H H 173 8.810 8.810 8.329 0.482 18329 2687 1 3 . 1 1 151 151 THR N N 174 117.190 117.190 115.719 1.471 18329 2688 1 3 . 1 1 151 151 THR HA H 174 3.880 3.880 4.074 -0.194 18329 2689 1 3 . 1 1 151 151 THR C C 174 176.000 176.000 175.882 0.118 18329 2690 1 3 . 1 1 151 151 THR CA C 174 66.900 66.900 65.686 1.214 18329 2691 1 3 . 1 1 151 151 THR CB C 174 68.500 68.500 68.307 0.193 18329 2692 1 3 . 1 1 151 151 THR H H 174 7.720 7.720 7.667 0.053 18329 2693 1 3 . 1 1 152 152 LEU N N 175 123.110 123.110 121.505 1.605 18329 2694 1 3 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.097 -0.287 18329 2695 1 3 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.140 0.860 18329 2696 1 3 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.830 -0.330 18329 2697 1 3 . 1 1 152 152 LEU H H 175 7.870 7.870 7.422 0.448 18329 2698 1 3 . 1 1 153 153 LYS N N 176 117.270 117.270 118.999 -1.729 18329 2699 1 3 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.976 -0.276 18329 2700 1 3 . 1 1 153 153 LYS C C 176 179.100 179.100 178.092 1.008 18329 2701 1 3 . 1 1 153 153 LYS CA C 176 56.700 56.700 58.579 -1.879 18329 2702 1 3 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.772 -1.872 18329 2703 1 3 . 1 1 153 153 LYS H H 176 7.900 7.900 7.398 0.502 18329 2704 1 3 . 1 1 154 154 LYS N N 177 119.290 119.290 120.053 -0.763 18329 2705 1 3 . 1 1 154 154 LYS HA H 177 4.260 4.260 3.993 0.267 18329 2706 1 3 . 1 1 154 154 LYS C C 177 178.100 178.100 177.999 0.101 18329 2707 1 3 . 1 1 154 154 LYS CA C 177 57.800 57.800 58.929 -1.129 18329 2708 1 3 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.185 0.615 18329 2709 1 3 . 1 1 154 154 LYS H H 177 7.540 7.540 8.172 -0.632 18329 2710 1 3 . 1 1 155 155 LYS N N 178 118.910 118.910 119.233 -0.323 18329 2711 1 3 . 1 1 155 155 LYS HA H 178 4.050 4.050 3.945 0.105 18329 2712 1 3 . 1 1 155 155 LYS C C 178 178.100 178.100 178.363 -0.263 18329 2713 1 3 . 1 1 155 155 LYS CA C 178 58.000 58.000 59.212 -1.212 18329 2714 1 3 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.092 0.108 18329 2715 1 3 . 1 1 155 155 LYS H H 178 7.630 7.630 7.507 0.123 18329 2716 1 3 . 1 1 156 156 GLU N N 179 117.950 117.950 118.618 -0.668 18329 2717 1 3 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.046 0.064 18329 2718 1 3 . 1 1 156 156 GLU C C 179 176.700 176.700 177.965 -1.265 18329 2719 1 3 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.886 -1.386 18329 2720 1 3 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.814 -0.214 18329 2721 1 3 . 1 1 156 156 GLU H H 179 7.560 7.560 8.353 -0.793 18329 2722 1 3 . 1 1 157 157 ASN N N 180 116.590 116.590 117.646 -1.056 18329 2723 1 3 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.946 -0.226 18329 2724 1 3 . 1 1 157 157 ASN C C 180 175.000 175.000 175.278 -0.278 18329 2725 1 3 . 1 1 157 157 ASN CA C 180 52.700 52.700 52.311 0.389 18329 2726 1 3 . 1 1 157 157 ASN CB C 180 38.800 38.800 38.030 0.770 18329 2727 1 3 . 1 1 157 157 ASN H H 180 7.820 7.820 7.982 -0.162 18329 2728 1 3 . 1 1 158 158 SER HA H 181 4.450 4.450 4.378 0.072 18329 2729 1 3 . 1 1 158 158 SER CA C 181 60.400 60.400 60.693 -0.293 18329 2730 1 3 . 1 1 158 158 SER CB C 181 63.500 63.500 63.105 0.395 18329 2731 1 3 . 1 1 158 158 SER H H 181 8.030 8.030 7.884 0.146 18329 2732 1 3 . 1 1 159 159 THR N N 182 112.800 112.800 117.361 -4.561 18329 2733 1 3 . 1 1 159 159 THR HA H 182 4.380 4.380 4.127 0.253 18329 2734 1 3 . 1 1 159 159 THR C C 182 174.300 174.300 174.737 -0.437 18329 2735 1 3 . 1 1 159 159 THR CA C 182 61.800 61.800 64.588 -2.788 18329 2736 1 3 . 1 1 159 159 THR CB C 182 69.100 69.100 69.000 0.100 18329 2737 1 3 . 1 1 159 159 THR H H 182 8.070 8.070 8.013 0.057 18329 2738 1 3 . 1 1 160 160 PHE N N 183 123.120 123.120 122.470 0.650 18329 2739 1 3 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.614 -0.174 18329 2740 1 3 . 1 1 160 160 PHE C C 183 175.100 175.100 174.267 0.833 18329 2741 1 3 . 1 1 160 160 PHE CA C 183 58.900 58.900 56.956 1.944 18329 2742 1 3 . 1 1 160 160 PHE CB C 183 40.000 40.000 40.554 -0.554 18329 2743 1 3 . 1 1 160 160 PHE H H 183 7.900 7.900 7.599 0.301 18329 2744 1 3 . 1 1 161 161 THR N N 184 119.330 119.330 123.646 -4.316 18329 2745 1 3 . 1 1 161 161 THR HA H 184 4.190 4.190 4.198 -0.008 18329 2746 1 3 . 1 1 161 161 THR CA C 184 60.700 60.700 63.530 -2.830 18329 2747 1 3 . 1 1 161 161 THR CB C 184 70.700 70.700 69.000 1.700 18329 2748 1 3 . 1 1 161 161 THR H H 184 7.810 7.810 8.127 -0.317 18329 2749 1 3 . 1 1 162 162 ASP N N 185 123.190 123.190 126.067 -2.877 18329 2750 1 3 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.345 0.065 18329 2751 1 3 . 1 1 162 162 ASP C C 185 176.900 176.900 174.616 2.284 18329 2752 1 3 . 1 1 162 162 ASP CA C 185 53.900 53.900 55.436 -1.536 18329 2753 1 3 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.461 2.539 18329 2754 1 3 . 1 1 162 162 ASP H H 185 8.000 8.000 8.659 -0.659 18329 2755 1 3 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.486 -0.006 18329 2756 1 3 . 1 1 163 163 GLU CA C 186 58.800 58.800 55.438 3.362 18329 2757 1 3 . 1 1 163 163 GLU CB C 186 28.100 28.100 31.292 -3.192 18329 2758 1 3 . 1 1 166 166 LYS N N 189 118.150 118.150 119.348 -1.198 18329 2759 1 3 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.005 0.215 18329 2760 1 3 . 1 1 166 166 LYS C C 189 177.500 177.500 175.815 1.685 18329 2761 1 3 . 1 1 166 166 LYS CA C 189 58.000 58.000 56.614 1.386 18329 2762 1 3 . 1 1 166 166 LYS CB C 189 32.600 32.600 32.604 -0.004 18329 2763 1 3 . 1 1 166 166 LYS H H 189 8.890 8.890 7.759 1.131 18329 2764 1 3 . 1 1 167 167 ASN N N 190 116.210 116.210 119.883 -3.673 18329 2765 1 3 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.486 0.474 18329 2766 1 3 . 1 1 167 167 ASN C C 190 174.900 174.900 175.039 -0.139 18329 2767 1 3 . 1 1 167 167 ASN CA C 190 52.900 52.900 55.147 -2.247 18329 2768 1 3 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.393 0.007 18329 2769 1 3 . 1 1 167 167 ASN H H 190 8.030 8.030 8.776 -0.746 18329 2770 1 4 . 1 1 2 2 ALA N N 25 125.000 125.000 128.715 -3.715 18329 2771 1 4 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.468 -0.098 18329 2772 1 4 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.705 -0.404 18329 2773 1 4 . 1 1 2 2 ALA CB C 25 19.700 19.700 19.634 0.066 18329 2774 1 4 . 1 1 2 2 ALA H H 25 8.690 8.690 8.417 0.273 18329 2775 1 4 . 1 1 3 3 GLY N N 26 106.920 106.920 110.069 -3.149 18329 2776 1 4 . 1 1 3 3 GLY CA C 26 44.000 44.000 46.276 -2.276 18329 2777 1 4 . 1 1 3 3 GLY H H 26 7.940 7.940 8.660 -0.720 18329 2778 1 4 . 1 1 4 4 LEU N N 27 119.140 119.140 122.053 -2.913 18329 2779 1 4 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.012 0.398 18329 2780 1 4 . 1 1 4 4 LEU C C 27 177.100 177.100 175.243 1.857 18329 2781 1 4 . 1 1 4 4 LEU CA C 27 54.400 54.400 56.091 -1.691 18329 2782 1 4 . 1 1 4 4 LEU CB C 27 42.100 42.100 41.106 0.994 18329 2783 1 4 . 1 1 4 4 LEU H H 27 8.210 8.210 8.259 -0.049 18329 2784 1 4 . 1 1 5 5 THR N N 28 112.940 112.940 119.252 -6.312 18329 2785 1 4 . 1 1 5 5 THR HA H 28 4.650 4.650 4.431 0.219 18329 2786 1 4 . 1 1 5 5 THR C C 28 175.500 175.500 173.581 1.919 18329 2787 1 4 . 1 1 5 5 THR CA C 28 60.100 60.100 61.658 -1.558 18329 2788 1 4 . 1 1 5 5 THR CB C 28 72.600 72.600 69.683 2.917 18329 2789 1 4 . 1 1 5 5 THR H H 28 9.220 9.220 8.063 1.157 18329 2790 1 4 . 1 1 6 6 GLY N N 29 108.230 108.230 110.544 -2.314 18329 2791 1 4 . 1 1 6 6 GLY C C 29 174.800 174.800 174.752 0.048 18329 2792 1 4 . 1 1 6 6 GLY CA C 29 46.000 46.000 45.133 0.867 18329 2793 1 4 . 1 1 6 6 GLY H H 29 8.520 8.520 8.463 0.057 18329 2794 1 4 . 1 1 7 7 ALA HA H 30 4.040 4.040 3.848 0.192 18329 2795 1 4 . 1 1 7 7 ALA CA C 30 54.800 54.800 54.022 0.778 18329 2796 1 4 . 1 1 7 7 ALA CB C 30 18.200 18.200 17.182 1.018 18329 2797 1 4 . 1 1 8 8 THR N N 31 116.970 116.970 113.816 3.154 18329 2798 1 4 . 1 1 8 8 THR HA H 31 3.740 3.740 3.896 -0.156 18329 2799 1 4 . 1 1 8 8 THR C C 31 175.300 175.300 175.909 -0.609 18329 2800 1 4 . 1 1 8 8 THR CA C 31 67.000 67.000 66.223 0.777 18329 2801 1 4 . 1 1 8 8 THR CB C 31 68.700 68.700 68.777 -0.077 18329 2802 1 4 . 1 1 8 8 THR H H 31 8.110 8.110 8.034 0.076 18329 2803 1 4 . 1 1 9 9 LYS N N 32 120.540 120.540 121.822 -1.282 18329 2804 1 4 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.104 -0.514 18329 2805 1 4 . 1 1 9 9 LYS C C 32 176.900 176.900 178.904 -2.004 18329 2806 1 4 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.423 0.377 18329 2807 1 4 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.865 0.535 18329 2808 1 4 . 1 1 9 9 LYS H H 32 6.860 6.860 8.356 -1.496 18329 2809 1 4 . 1 1 10 10 ILE N N 33 115.940 115.940 118.248 -2.308 18329 2810 1 4 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.753 -0.043 18329 2811 1 4 . 1 1 10 10 ILE C C 33 179.000 179.000 178.166 0.834 18329 2812 1 4 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.116 -0.116 18329 2813 1 4 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.430 0.570 18329 2814 1 4 . 1 1 10 10 ILE H H 33 7.380 7.380 7.967 -0.587 18329 2815 1 4 . 1 1 11 11 ARG N N 34 118.350 118.350 121.049 -2.699 18329 2816 1 4 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.095 -0.055 18329 2817 1 4 . 1 1 11 11 ARG C C 34 180.000 180.000 178.665 1.335 18329 2818 1 4 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.817 -0.417 18329 2819 1 4 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.180 0.120 18329 2820 1 4 . 1 1 11 11 ARG H H 34 8.250 8.250 7.625 0.625 18329 2821 1 4 . 1 1 12 12 LEU N N 35 117.420 117.420 119.708 -2.288 18329 2822 1 4 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.282 -0.112 18329 2823 1 4 . 1 1 12 12 LEU C C 35 179.000 179.000 179.708 -0.708 18329 2824 1 4 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.684 0.316 18329 2825 1 4 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.844 -1.044 18329 2826 1 4 . 1 1 12 12 LEU H H 35 8.340 8.340 8.257 0.083 18329 2827 1 4 . 1 1 13 13 GLU N N 36 117.890 117.890 119.539 -1.649 18329 2828 1 4 . 1 1 13 13 GLU HA H 36 4.020 4.020 4.085 -0.065 18329 2829 1 4 . 1 1 13 13 GLU C C 36 180.100 180.100 179.447 0.653 18329 2830 1 4 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.600 0.600 18329 2831 1 4 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.107 -0.807 18329 2832 1 4 . 1 1 13 13 GLU H H 36 8.610 8.610 7.907 0.703 18329 2833 1 4 . 1 1 14 14 ARG N N 37 121.100 121.100 118.544 2.556 18329 2834 1 4 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.107 0.133 18329 2835 1 4 . 1 1 14 14 ARG C C 37 178.100 178.100 178.984 -0.884 18329 2836 1 4 . 1 1 14 14 ARG CA C 37 58.500 58.500 58.580 -0.079 18329 2837 1 4 . 1 1 14 14 ARG CB C 37 30.200 30.200 29.915 0.285 18329 2838 1 4 . 1 1 14 14 ARG H H 37 7.980 7.980 8.070 -0.090 18329 2839 1 4 . 1 1 15 15 SER N N 38 115.420 115.420 115.072 0.348 18329 2840 1 4 . 1 1 15 15 SER HA H 38 4.380 4.380 4.515 -0.135 18329 2841 1 4 . 1 1 15 15 SER C C 38 177.300 177.300 176.207 1.093 18329 2842 1 4 . 1 1 15 15 SER CA C 38 62.200 62.200 60.999 1.201 18329 2843 1 4 . 1 1 15 15 SER CB C 38 63.200 63.200 62.709 0.491 18329 2844 1 4 . 1 1 15 15 SER H H 38 8.230 8.230 8.325 -0.095 18329 2845 1 4 . 1 1 16 16 ALA N N 39 123.970 123.970 124.654 -0.684 18329 2846 1 4 . 1 1 16 16 ALA HA H 39 3.630 3.630 3.968 -0.338 18329 2847 1 4 . 1 1 16 16 ALA C C 39 179.500 179.500 179.929 -0.429 18329 2848 1 4 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.375 0.325 18329 2849 1 4 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.345 -0.345 18329 2850 1 4 . 1 1 16 16 ALA H H 39 8.280 8.280 8.169 0.111 18329 2851 1 4 . 1 1 17 17 LYS N N 40 121.690 121.690 119.582 2.108 18329 2852 1 4 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.033 0.057 18329 2853 1 4 . 1 1 17 17 LYS C C 40 178.000 178.000 177.974 0.026 18329 2854 1 4 . 1 1 17 17 LYS CA C 40 58.400 58.400 58.919 -0.519 18329 2855 1 4 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.154 -0.354 18329 2856 1 4 . 1 1 17 17 LYS H H 40 7.930 7.930 8.302 -0.372 18329 2857 1 4 . 1 1 18 18 ASP N N 41 118.730 118.730 118.942 -0.212 18329 2858 1 4 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.485 -0.125 18329 2859 1 4 . 1 1 18 18 ASP C C 41 179.900 179.900 178.408 1.492 18329 2860 1 4 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.780 0.920 18329 2861 1 4 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.445 -0.845 18329 2862 1 4 . 1 1 18 18 ASP H H 41 8.320 8.320 7.639 0.681 18329 2863 1 4 . 1 1 19 19 ILE N N 42 118.180 118.180 119.834 -1.654 18329 2864 1 4 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.711 -0.021 18329 2865 1 4 . 1 1 19 19 ILE C C 42 177.400 177.400 177.824 -0.424 18329 2866 1 4 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.398 -0.198 18329 2867 1 4 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.786 0.114 18329 2868 1 4 . 1 1 19 19 ILE H H 42 7.420 7.420 7.612 -0.192 18329 2869 1 4 . 1 1 20 20 THR N N 43 113.360 113.360 112.398 0.962 18329 2870 1 4 . 1 1 20 20 THR HA H 43 3.770 3.770 4.037 -0.267 18329 2871 1 4 . 1 1 20 20 THR C C 43 177.800 177.800 176.279 1.521 18329 2872 1 4 . 1 1 20 20 THR CA C 43 66.400 66.400 65.910 0.490 18329 2873 1 4 . 1 1 20 20 THR CB C 43 67.400 67.400 68.368 -0.968 18329 2874 1 4 . 1 1 20 20 THR H H 43 7.610 7.610 7.607 0.003 18329 2875 1 4 . 1 1 21 21 ASP N N 44 123.650 123.650 122.316 1.334 18329 2876 1 4 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.330 0.080 18329 2877 1 4 . 1 1 21 21 ASP C C 44 179.200 179.200 178.220 0.980 18329 2878 1 4 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.652 -0.452 18329 2879 1 4 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.910 -1.310 18329 2880 1 4 . 1 1 21 21 ASP H H 44 9.260 9.260 7.942 1.318 18329 2881 1 4 . 1 1 22 22 GLU N N 45 123.560 123.560 119.676 3.884 18329 2882 1 4 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.152 0.218 18329 2883 1 4 . 1 1 22 22 GLU C C 45 178.500 178.500 179.092 -0.592 18329 2884 1 4 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.940 -0.740 18329 2885 1 4 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.642 -0.442 18329 2886 1 4 . 1 1 22 22 GLU H H 45 7.750 7.750 7.906 -0.156 18329 2887 1 4 . 1 1 23 23 ILE N N 46 119.940 119.940 114.602 5.338 18329 2888 1 4 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.871 -0.251 18329 2889 1 4 . 1 1 23 23 ILE C C 46 177.600 177.600 177.997 -0.397 18329 2890 1 4 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.087 1.513 18329 2891 1 4 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.602 -0.603 18329 2892 1 4 . 1 1 23 23 ILE H H 46 8.360 8.360 7.352 1.008 18329 2893 1 4 . 1 1 24 24 ASP N N 47 120.730 120.730 122.097 -1.367 18329 2894 1 4 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.361 0.039 18329 2895 1 4 . 1 1 24 24 ASP C C 47 178.900 178.900 177.643 1.257 18329 2896 1 4 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.008 0.492 18329 2897 1 4 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.493 -0.593 18329 2898 1 4 . 1 1 24 24 ASP H H 47 8.280 8.280 8.404 -0.124 18329 2899 1 4 . 1 1 25 25 ALA N N 48 123.870 123.870 120.853 3.017 18329 2900 1 4 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.009 0.111 18329 2901 1 4 . 1 1 25 25 ALA C C 48 180.400 180.400 179.490 0.910 18329 2902 1 4 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.790 0.710 18329 2903 1 4 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.493 -0.693 18329 2904 1 4 . 1 1 25 25 ALA H H 48 7.880 7.880 7.442 0.438 18329 2905 1 4 . 1 1 26 26 ILE N N 49 121.970 121.970 118.084 3.886 18329 2906 1 4 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.661 0.069 18329 2907 1 4 . 1 1 26 26 ILE C C 49 178.400 178.400 177.881 0.519 18329 2908 1 4 . 1 1 26 26 ILE CA C 49 65.900 65.900 65.101 0.799 18329 2909 1 4 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.715 -0.215 18329 2910 1 4 . 1 1 26 26 ILE H H 49 8.710 8.710 7.621 1.089 18329 2911 1 4 . 1 1 27 27 LYS N N 50 119.820 119.820 120.069 -0.249 18329 2912 1 4 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.562 0.318 18329 2913 1 4 . 1 1 27 27 LYS C C 50 179.900 179.900 179.082 0.818 18329 2914 1 4 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.722 0.678 18329 2915 1 4 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.836 0.064 18329 2916 1 4 . 1 1 27 27 LYS H H 50 8.540 8.540 7.869 0.671 18329 2917 1 4 . 1 1 28 28 LYS N N 51 121.960 121.960 118.096 3.864 18329 2918 1 4 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.024 0.066 18329 2919 1 4 . 1 1 28 28 LYS C C 51 179.200 179.200 179.043 0.157 18329 2920 1 4 . 1 1 28 28 LYS CA C 51 59.300 59.300 58.539 0.761 18329 2921 1 4 . 1 1 28 28 LYS CB C 51 31.400 31.400 31.852 -0.452 18329 2922 1 4 . 1 1 28 28 LYS H H 51 8.070 8.070 7.373 0.697 18329 2923 1 4 . 1 1 29 29 ASP N N 52 121.710 121.710 119.600 2.110 18329 2924 1 4 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.421 0.049 18329 2925 1 4 . 1 1 29 29 ASP C C 52 178.500 178.500 178.196 0.304 18329 2926 1 4 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.986 0.014 18329 2927 1 4 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.935 0.065 18329 2928 1 4 . 1 1 29 29 ASP H H 52 8.340 8.340 7.870 0.470 18329 2929 1 4 . 1 1 30 30 ALA N N 53 121.990 121.990 121.198 0.792 18329 2930 1 4 . 1 1 30 30 ALA HA H 53 3.340 3.340 3.698 -0.358 18329 2931 1 4 . 1 1 30 30 ALA C C 53 179.500 179.500 179.120 0.380 18329 2932 1 4 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.843 0.257 18329 2933 1 4 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.152 -0.052 18329 2934 1 4 . 1 1 30 30 ALA H H 53 8.800 8.800 8.335 0.465 18329 2935 1 4 . 1 1 31 31 ALA N N 54 119.970 119.970 120.076 -0.106 18329 2936 1 4 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.068 0.082 18329 2937 1 4 . 1 1 31 31 ALA C C 54 181.600 181.600 179.174 2.426 18329 2938 1 4 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.342 0.358 18329 2939 1 4 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.040 -0.240 18329 2940 1 4 . 1 1 31 31 ALA H H 54 7.730 7.730 7.456 0.274 18329 2941 1 4 . 1 1 32 32 LEU N N 55 119.660 119.660 117.615 2.045 18329 2942 1 4 . 1 1 32 32 LEU HA H 55 4.140 4.140 3.961 0.179 18329 2943 1 4 . 1 1 32 32 LEU C C 55 179.100 179.100 178.590 0.510 18329 2944 1 4 . 1 1 32 32 LEU CA C 55 57.000 57.000 57.024 -0.024 18329 2945 1 4 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.760 0.140 18329 2946 1 4 . 1 1 32 32 LEU H H 55 7.660 7.660 7.440 0.220 18329 2947 1 4 . 1 1 33 33 LYS N N 56 117.160 117.160 117.350 -0.190 18329 2948 1 4 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.289 -0.079 18329 2949 1 4 . 1 1 33 33 LYS C C 56 176.600 176.600 177.158 -0.558 18329 2950 1 4 . 1 1 33 33 LYS CA C 56 56.100 56.100 56.229 -0.129 18329 2951 1 4 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.308 -0.108 18329 2952 1 4 . 1 1 33 33 LYS H H 56 7.610 7.610 7.502 0.108 18329 2953 1 4 . 1 1 34 34 GLY N N 57 108.680 108.680 108.027 0.653 18329 2954 1 4 . 1 1 34 34 GLY C C 57 174.400 174.400 174.630 -0.230 18329 2955 1 4 . 1 1 34 34 GLY CA C 57 46.200 46.200 44.828 1.372 18329 2956 1 4 . 1 1 34 34 GLY H H 57 7.710 7.710 8.444 -0.734 18329 2957 1 4 . 1 1 35 35 VAL N N 58 121.000 121.000 121.607 -0.607 18329 2958 1 4 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.010 -0.110 18329 2959 1 4 . 1 1 35 35 VAL C C 58 174.200 174.200 175.498 -1.298 18329 2960 1 4 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.739 0.761 18329 2961 1 4 . 1 1 35 35 VAL CB C 58 32.800 32.800 29.045 3.755 18329 2962 1 4 . 1 1 35 35 VAL H H 58 7.990 7.990 7.917 0.073 18329 2963 1 4 . 1 1 36 36 ASN N N 59 124.960 124.960 119.476 5.484 18329 2964 1 4 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.364 0.306 18329 2965 1 4 . 1 1 36 36 ASN C C 59 175.700 175.700 173.827 1.873 18329 2966 1 4 . 1 1 36 36 ASN CA C 59 51.600 51.600 55.103 -3.503 18329 2967 1 4 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.436 0.664 18329 2968 1 4 . 1 1 36 36 ASN H H 59 8.460 8.460 7.894 0.566 18329 2969 1 4 . 1 1 37 37 PHE N N 60 124.460 124.460 116.323 8.137 18329 2970 1 4 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.465 -0.325 18329 2971 1 4 . 1 1 37 37 PHE C C 60 177.000 177.000 174.080 2.920 18329 2972 1 4 . 1 1 37 37 PHE CA C 60 60.400 60.400 59.220 1.180 18329 2973 1 4 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.924 -0.724 18329 2974 1 4 . 1 1 37 37 PHE H H 60 8.780 8.780 8.289 0.491 18329 2975 1 4 . 1 1 38 38 ASP N N 61 119.270 119.270 121.126 -1.856 18329 2976 1 4 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.684 -0.194 18329 2977 1 4 . 1 1 38 38 ASP C C 61 177.000 177.000 176.107 0.893 18329 2978 1 4 . 1 1 38 38 ASP CA C 61 55.500 55.500 54.672 0.828 18329 2979 1 4 . 1 1 38 38 ASP CB C 61 40.000 40.000 41.075 -1.075 18329 2980 1 4 . 1 1 38 38 ASP H H 61 8.400 8.400 8.443 -0.043 18329 2981 1 4 . 1 1 39 39 ALA N N 62 122.020 122.020 123.075 -1.055 18329 2982 1 4 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.242 -0.042 18329 2983 1 4 . 1 1 39 39 ALA C C 62 178.300 178.300 176.364 1.936 18329 2984 1 4 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.209 0.692 18329 2985 1 4 . 1 1 39 39 ALA CB C 62 18.500 18.500 16.899 1.601 18329 2986 1 4 . 1 1 39 39 ALA H H 62 7.740 7.740 7.748 -0.008 18329 2987 1 4 . 1 1 40 40 PHE N N 63 116.940 116.940 120.560 -3.620 18329 2988 1 4 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.492 -0.112 18329 2989 1 4 . 1 1 40 40 PHE C C 63 176.100 176.100 176.087 0.013 18329 2990 1 4 . 1 1 40 40 PHE CA C 63 58.300 58.300 57.853 0.447 18329 2991 1 4 . 1 1 40 40 PHE CB C 63 38.800 38.800 39.483 -0.683 18329 2992 1 4 . 1 1 40 40 PHE H H 63 7.730 7.730 8.542 -0.812 18329 2993 1 4 . 1 1 41 41 LYS N N 64 119.840 119.840 124.729 -4.889 18329 2994 1 4 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.320 -0.100 18329 2995 1 4 . 1 1 41 41 LYS C C 64 176.100 176.100 176.465 -0.365 18329 2996 1 4 . 1 1 41 41 LYS CA C 64 56.600 56.600 56.123 0.477 18329 2997 1 4 . 1 1 41 41 LYS CB C 64 32.900 32.900 32.782 0.118 18329 2998 1 4 . 1 1 41 41 LYS H H 64 7.650 7.650 8.737 -1.087 18329 2999 1 4 . 1 1 42 42 ASP N N 65 120.770 120.770 119.418 1.352 18329 3000 1 4 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.247 0.323 18329 3001 1 4 . 1 1 42 42 ASP C C 65 176.100 176.100 175.848 0.252 18329 3002 1 4 . 1 1 42 42 ASP CA C 65 54.200 54.200 56.484 -2.284 18329 3003 1 4 . 1 1 42 42 ASP CB C 65 40.900 40.900 40.426 0.474 18329 3004 1 4 . 1 1 42 42 ASP H H 65 8.030 8.030 8.366 -0.336 18329 3005 1 4 . 1 1 43 43 LYS N N 66 122.070 122.070 122.622 -0.552 18329 3006 1 4 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.216 0.064 18329 3007 1 4 . 1 1 43 43 LYS C C 66 176.800 176.800 176.941 -0.141 18329 3008 1 4 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.937 -0.437 18329 3009 1 4 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.438 0.361 18329 3010 1 4 . 1 1 43 43 LYS H H 66 8.180 8.180 8.241 -0.061 18329 3011 1 4 . 1 1 44 44 LYS N N 67 122.170 122.170 123.052 -0.882 18329 3012 1 4 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.259 0.091 18329 3013 1 4 . 1 1 44 44 LYS C C 67 177.000 177.000 175.890 1.110 18329 3014 1 4 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.325 0.275 18329 3015 1 4 . 1 1 44 44 LYS CB C 67 32.800 32.800 32.502 0.298 18329 3016 1 4 . 1 1 44 44 LYS H H 67 8.460 8.460 8.424 0.036 18329 3017 1 4 . 1 1 45 45 THR N N 68 114.390 114.390 114.697 -0.307 18329 3018 1 4 . 1 1 45 45 THR HA H 68 4.330 4.330 4.039 0.291 18329 3019 1 4 . 1 1 45 45 THR C C 68 175.200 175.200 174.364 0.836 18329 3020 1 4 . 1 1 45 45 THR CA C 68 62.000 62.000 62.888 -0.888 18329 3021 1 4 . 1 1 45 45 THR CB C 68 69.900 69.900 68.485 1.415 18329 3022 1 4 . 1 1 45 45 THR H H 68 8.120 8.120 7.687 0.433 18329 3023 1 4 . 1 1 46 46 GLY N N 69 111.200 111.200 114.559 -3.359 18329 3024 1 4 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.155 0.045 18329 3025 1 4 . 1 1 46 46 GLY H H 69 8.450 8.450 8.345 0.105 18329 3026 1 4 . 1 1 47 47 SER CA C 70 58.400 58.400 57.479 0.921 18329 3027 1 4 . 1 1 47 47 SER CB C 70 64.000 64.000 64.091 -0.091 18329 3028 1 4 . 1 1 48 48 GLY N N 71 111.200 111.200 108.599 2.601 18329 3029 1 4 . 1 1 48 48 GLY CA C 71 45.000 45.000 45.485 -0.485 18329 3030 1 4 . 1 1 48 48 GLY H H 71 8.580 8.580 8.536 0.044 18329 3031 1 4 . 1 1 49 49 VAL N N 72 118.910 118.910 117.184 1.726 18329 3032 1 4 . 1 1 49 49 VAL HA H 72 4.130 4.130 3.529 0.601 18329 3033 1 4 . 1 1 49 49 VAL C C 72 176.100 176.100 177.018 -0.918 18329 3034 1 4 . 1 1 49 49 VAL CA C 72 62.100 62.100 65.576 -3.476 18329 3035 1 4 . 1 1 49 49 VAL CB C 72 32.500 32.500 30.983 1.517 18329 3036 1 4 . 1 1 49 49 VAL H H 72 7.860 7.860 8.507 -0.647 18329 3037 1 4 . 1 1 50 50 SER N N 73 118.500 118.500 116.632 1.868 18329 3038 1 4 . 1 1 50 50 SER C C 73 176.100 176.100 175.686 0.414 18329 3039 1 4 . 1 1 50 50 SER CA C 73 58.300 58.300 60.547 -2.247 18329 3040 1 4 . 1 1 50 50 SER CB C 73 63.800 63.800 63.337 0.463 18329 3041 1 4 . 1 1 50 50 SER H H 73 8.300 8.300 8.424 -0.124 18329 3042 1 4 . 1 1 51 51 GLU N N 74 122.560 122.560 119.511 3.049 18329 3043 1 4 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.371 -0.101 18329 3044 1 4 . 1 1 51 51 GLU CA C 74 55.700 55.700 57.024 -1.324 18329 3045 1 4 . 1 1 51 51 GLU CB C 74 30.500 30.500 31.318 -0.818 18329 3046 1 4 . 1 1 51 51 GLU H H 74 8.360 8.360 7.719 0.641 18329 3047 1 4 . 1 1 52 52 ASN N N 75 122.830 122.830 114.117 8.713 18329 3048 1 4 . 1 1 52 52 ASN HA H 75 4.820 4.820 5.009 -0.189 18329 3049 1 4 . 1 1 52 52 ASN C C 75 174.800 174.800 173.022 1.778 18329 3050 1 4 . 1 1 52 52 ASN CA C 75 51.400 51.400 52.763 -1.363 18329 3051 1 4 . 1 1 52 52 ASN CB C 75 39.200 39.200 40.670 -1.470 18329 3052 1 4 . 1 1 52 52 ASN H H 75 8.450 8.450 7.889 0.561 18329 3053 1 4 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.547 -0.367 18329 3054 1 4 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.299 0.901 18329 3055 1 4 . 1 1 53 53 PRO CB C 76 32.000 32.000 32.107 -0.107 18329 3056 1 4 . 1 1 54 54 PHE N N 77 118.060 118.060 120.546 -2.486 18329 3057 1 4 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.222 0.048 18329 3058 1 4 . 1 1 54 54 PHE C C 77 177.500 177.500 177.004 0.496 18329 3059 1 4 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.638 -0.138 18329 3060 1 4 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.257 0.143 18329 3061 1 4 . 1 1 54 54 PHE H H 77 8.430 8.430 8.127 0.303 18329 3062 1 4 . 1 1 55 55 ILE N N 78 119.350 119.350 118.314 1.036 18329 3063 1 4 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.803 -0.303 18329 3064 1 4 . 1 1 55 55 ILE C C 78 177.400 177.400 177.540 -0.140 18329 3065 1 4 . 1 1 55 55 ILE CA C 78 63.500 63.500 64.216 -0.716 18329 3066 1 4 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.633 -0.633 18329 3067 1 4 . 1 1 55 55 ILE H H 78 7.540 7.540 8.062 -0.522 18329 3068 1 4 . 1 1 56 56 LEU N N 79 118.450 118.450 119.936 -1.486 18329 3069 1 4 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.038 0.112 18329 3070 1 4 . 1 1 56 56 LEU C C 79 179.200 179.200 178.841 0.359 18329 3071 1 4 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.141 -0.341 18329 3072 1 4 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.435 -0.335 18329 3073 1 4 . 1 1 56 56 LEU H H 79 7.260 7.260 7.502 -0.242 18329 3074 1 4 . 1 1 57 57 GLU N N 80 117.980 117.980 118.153 -0.173 18329 3075 1 4 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.908 -0.258 18329 3076 1 4 . 1 1 57 57 GLU C C 80 178.700 178.700 178.809 -0.109 18329 3077 1 4 . 1 1 57 57 GLU CA C 80 59.300 59.300 59.005 0.295 18329 3078 1 4 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.207 0.293 18329 3079 1 4 . 1 1 57 57 GLU H H 80 7.890 7.890 7.928 -0.038 18329 3080 1 4 . 1 1 58 58 ALA N N 81 122.040 122.040 121.504 0.536 18329 3081 1 4 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.980 -0.180 18329 3082 1 4 . 1 1 58 58 ALA C C 81 179.500 179.500 179.039 0.461 18329 3083 1 4 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.887 0.313 18329 3084 1 4 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.229 0.571 18329 3085 1 4 . 1 1 58 58 ALA H H 81 8.400 8.400 7.817 0.583 18329 3086 1 4 . 1 1 59 59 LYS N N 82 116.000 116.000 118.485 -2.485 18329 3087 1 4 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.079 -0.229 18329 3088 1 4 . 1 1 59 59 LYS C C 82 180.300 180.300 178.531 1.769 18329 3089 1 4 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.205 1.895 18329 3090 1 4 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.317 -0.117 18329 3091 1 4 . 1 1 59 59 LYS H H 82 8.000 8.000 7.478 0.522 18329 3092 1 4 . 1 1 60 60 VAL N N 83 122.920 122.920 118.680 4.240 18329 3093 1 4 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.683 -0.353 18329 3094 1 4 . 1 1 60 60 VAL C C 83 178.300 178.300 178.276 0.024 18329 3095 1 4 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.942 1.958 18329 3096 1 4 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.240 -0.040 18329 3097 1 4 . 1 1 60 60 VAL H H 83 8.110 8.110 7.154 0.956 18329 3098 1 4 . 1 1 61 61 ARG N N 84 121.770 121.770 120.496 1.274 18329 3099 1 4 . 1 1 61 61 ARG C C 84 179.500 179.500 178.517 0.983 18329 3100 1 4 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.355 -0.155 18329 3101 1 4 . 1 1 61 61 ARG CB C 84 30.800 30.800 30.055 0.745 18329 3102 1 4 . 1 1 61 61 ARG H H 84 8.710 8.710 7.495 1.215 18329 3103 1 4 . 1 1 62 62 ALA N N 85 119.450 119.450 120.492 -1.042 18329 3104 1 4 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.070 -0.180 18329 3105 1 4 . 1 1 62 62 ALA C C 85 179.500 179.500 178.970 0.530 18329 3106 1 4 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.219 -0.219 18329 3107 1 4 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.569 0.431 18329 3108 1 4 . 1 1 62 62 ALA H H 85 8.700 8.700 7.854 0.846 18329 3109 1 4 . 1 1 63 63 THR N N 86 106.650 106.650 110.142 -3.492 18329 3110 1 4 . 1 1 63 63 THR HA H 86 3.970 3.970 4.064 -0.094 18329 3111 1 4 . 1 1 63 63 THR C C 86 177.700 177.700 176.652 1.048 18329 3112 1 4 . 1 1 63 63 THR CA C 86 66.000 66.000 65.428 0.572 18329 3113 1 4 . 1 1 63 63 THR CB C 86 68.200 68.200 68.561 -0.361 18329 3114 1 4 . 1 1 63 63 THR H H 86 8.150 8.150 7.760 0.390 18329 3115 1 4 . 1 1 64 64 THR N N 87 120.430 120.430 119.345 1.085 18329 3116 1 4 . 1 1 64 64 THR HA H 87 4.050 4.050 4.210 -0.160 18329 3117 1 4 . 1 1 64 64 THR C C 87 176.800 176.800 176.357 0.443 18329 3118 1 4 . 1 1 64 64 THR CA C 87 67.300 67.300 67.051 0.249 18329 3119 1 4 . 1 1 64 64 THR CB C 87 68.600 68.600 68.606 -0.006 18329 3120 1 4 . 1 1 64 64 THR H H 87 7.920 7.920 7.697 0.223 18329 3121 1 4 . 1 1 65 65 VAL N N 88 119.230 119.230 121.021 -1.791 18329 3122 1 4 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.822 0.158 18329 3123 1 4 . 1 1 65 65 VAL C C 88 178.500 178.500 177.436 1.064 18329 3124 1 4 . 1 1 65 65 VAL CA C 88 65.600 65.600 65.848 -0.248 18329 3125 1 4 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.195 0.505 18329 3126 1 4 . 1 1 65 65 VAL H H 88 7.380 7.380 7.471 -0.091 18329 3127 1 4 . 1 1 66 66 ALA N N 89 124.260 124.260 121.712 2.548 18329 3128 1 4 . 1 1 66 66 ALA HA H 89 4.250 4.250 4.001 0.249 18329 3129 1 4 . 1 1 66 66 ALA C C 89 179.900 179.900 179.439 0.461 18329 3130 1 4 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.510 -0.610 18329 3131 1 4 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.123 1.377 18329 3132 1 4 . 1 1 66 66 ALA H H 89 8.390 8.390 7.947 0.443 18329 3133 1 4 . 1 1 67 67 GLU N N 90 120.180 120.180 117.485 2.695 18329 3134 1 4 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.908 -0.188 18329 3135 1 4 . 1 1 67 67 GLU C C 90 177.600 177.600 178.692 -1.092 18329 3136 1 4 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.231 0.669 18329 3137 1 4 . 1 1 67 67 GLU CB C 90 28.300 28.300 28.984 -0.684 18329 3138 1 4 . 1 1 67 67 GLU H H 90 8.520 8.520 8.121 0.399 18329 3139 1 4 . 1 1 68 68 LYS N N 91 116.340 116.340 119.557 -3.217 18329 3140 1 4 . 1 1 68 68 LYS HA H 91 3.960 3.960 3.993 -0.033 18329 3141 1 4 . 1 1 68 68 LYS C C 91 179.200 179.200 179.114 0.086 18329 3142 1 4 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.908 0.892 18329 3143 1 4 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.189 -0.189 18329 3144 1 4 . 1 1 68 68 LYS H H 91 7.210 7.210 7.315 -0.105 18329 3145 1 4 . 1 1 69 69 PHE N N 92 120.990 120.990 120.100 0.890 18329 3146 1 4 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.190 0.320 18329 3147 1 4 . 1 1 69 69 PHE C C 92 175.100 175.100 176.884 -1.784 18329 3148 1 4 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.387 -1.587 18329 3149 1 4 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.198 0.002 18329 3150 1 4 . 1 1 69 69 PHE H H 92 7.180 7.180 7.894 -0.714 18329 3151 1 4 . 1 1 70 70 VAL N N 93 120.330 120.330 118.551 1.779 18329 3152 1 4 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.582 -0.492 18329 3153 1 4 . 1 1 70 70 VAL C C 93 177.500 177.500 177.896 -0.396 18329 3154 1 4 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.245 0.655 18329 3155 1 4 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.211 0.189 18329 3156 1 4 . 1 1 70 70 VAL H H 93 7.930 7.930 7.261 0.669 18329 3157 1 4 . 1 1 71 71 ILE N N 94 120.410 120.410 118.731 1.679 18329 3158 1 4 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.649 0.181 18329 3159 1 4 . 1 1 71 71 ILE C C 94 177.700 177.700 178.008 -0.308 18329 3160 1 4 . 1 1 71 71 ILE CA C 94 65.000 65.000 65.026 -0.026 18329 3161 1 4 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.136 0.164 18329 3162 1 4 . 1 1 71 71 ILE H H 94 8.180 8.180 7.444 0.736 18329 3163 1 4 . 1 1 72 72 ALA N N 95 122.440 122.440 122.130 0.310 18329 3164 1 4 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.956 0.004 18329 3165 1 4 . 1 1 72 72 ALA C C 95 179.600 179.600 179.434 0.166 18329 3166 1 4 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.086 0.814 18329 3167 1 4 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.701 -0.501 18329 3168 1 4 . 1 1 72 72 ALA H H 95 7.340 7.340 7.390 -0.050 18329 3169 1 4 . 1 1 73 73 ILE N N 96 119.330 119.330 119.069 0.261 18329 3170 1 4 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.580 -0.140 18329 3171 1 4 . 1 1 73 73 ILE C C 96 177.400 177.400 177.905 -0.505 18329 3172 1 4 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.114 -0.314 18329 3173 1 4 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.353 -1.953 18329 3174 1 4 . 1 1 73 73 ILE H H 96 7.820 7.820 7.376 0.444 18329 3175 1 4 . 1 1 74 74 GLU N N 97 118.440 118.440 120.807 -2.367 18329 3176 1 4 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.808 -0.118 18329 3177 1 4 . 1 1 74 74 GLU C C 97 180.500 180.500 178.675 1.825 18329 3178 1 4 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.783 -0.083 18329 3179 1 4 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.504 0.196 18329 3180 1 4 . 1 1 74 74 GLU H H 97 8.380 8.380 7.703 0.677 18329 3181 1 4 . 1 1 75 75 GLU N N 98 120.470 120.470 120.233 0.237 18329 3182 1 4 . 1 1 75 75 GLU HA H 98 3.940 3.940 3.996 -0.056 18329 3183 1 4 . 1 1 75 75 GLU C C 98 180.600 180.600 178.997 1.603 18329 3184 1 4 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.137 0.563 18329 3185 1 4 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.319 0.881 18329 3186 1 4 . 1 1 75 75 GLU H H 98 8.800 8.800 7.987 0.813 18329 3187 1 4 . 1 1 76 76 GLU N N 99 119.230 119.230 118.596 0.634 18329 3188 1 4 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.006 0.134 18329 3189 1 4 . 1 1 76 76 GLU C C 99 178.900 178.900 179.066 -0.166 18329 3190 1 4 . 1 1 76 76 GLU CA C 99 58.600 58.600 59.026 -0.426 18329 3191 1 4 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.188 0.112 18329 3192 1 4 . 1 1 76 76 GLU H H 99 8.840 8.840 8.129 0.711 18329 3193 1 4 . 1 1 77 77 ALA N N 100 121.950 121.950 121.690 0.260 18329 3194 1 4 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.196 -0.196 18329 3195 1 4 . 1 1 77 77 ALA C C 100 179.000 179.000 179.628 -0.628 18329 3196 1 4 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.053 1.247 18329 3197 1 4 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.296 -1.496 18329 3198 1 4 . 1 1 77 77 ALA H H 100 9.400 9.400 7.756 1.644 18329 3199 1 4 . 1 1 78 78 THR N N 101 111.820 111.820 114.969 -3.149 18329 3200 1 4 . 1 1 78 78 THR HA H 101 3.750 3.750 3.972 -0.222 18329 3201 1 4 . 1 1 78 78 THR CA C 101 67.500 67.500 66.265 1.235 18329 3202 1 4 . 1 1 78 78 THR CB C 101 68.600 68.600 68.734 -0.134 18329 3203 1 4 . 1 1 78 78 THR H H 101 7.770 7.770 7.804 -0.034 18329 3204 1 4 . 1 1 79 79 LYS N N 102 122.940 122.940 120.425 2.515 18329 3205 1 4 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.198 -0.108 18329 3206 1 4 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.443 0.757 18329 3207 1 4 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.417 0.083 18329 3208 1 4 . 1 1 79 79 LYS H H 102 7.870 7.870 7.861 0.009 18329 3209 1 4 . 1 1 80 80 LEU N N 103 117.690 117.690 118.158 -0.468 18329 3210 1 4 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.430 0.060 18329 3211 1 4 . 1 1 80 80 LEU C C 103 178.140 178.140 176.295 1.845 18329 3212 1 4 . 1 1 80 80 LEU CA C 103 54.000 54.000 53.773 0.227 18329 3213 1 4 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.721 0.379 18329 3214 1 4 . 1 1 80 80 LEU H H 103 7.550 7.550 7.757 -0.207 18329 3215 1 4 . 1 1 81 81 LYS N N 104 122.210 122.210 120.505 1.705 18329 3216 1 4 . 1 1 81 81 LYS HA H 104 3.930 3.930 4.191 -0.261 18329 3217 1 4 . 1 1 81 81 LYS C C 104 178.000 178.000 176.416 1.584 18329 3218 1 4 . 1 1 81 81 LYS CA C 104 61.300 61.300 57.792 3.508 18329 3219 1 4 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.495 1.305 18329 3220 1 4 . 1 1 81 81 LYS H H 104 7.500 7.500 7.402 0.098 18329 3221 1 4 . 1 1 82 82 GLU N N 105 114.920 114.920 123.500 -8.580 18329 3222 1 4 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.372 0.188 18329 3223 1 4 . 1 1 82 82 GLU C C 105 177.900 177.900 177.435 0.465 18329 3224 1 4 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.632 0.028 18329 3225 1 4 . 1 1 82 82 GLU CB C 105 30.400 30.400 30.309 0.091 18329 3226 1 4 . 1 1 82 82 GLU H H 105 8.780 8.780 8.785 -0.005 18329 3227 1 4 . 1 1 83 83 THR N N 106 107.260 107.260 113.671 -6.411 18329 3228 1 4 . 1 1 83 83 THR HA H 106 4.550 4.550 4.205 0.345 18329 3229 1 4 . 1 1 83 83 THR C C 106 176.300 176.300 176.237 0.063 18329 3230 1 4 . 1 1 83 83 THR CA C 106 61.900 61.900 63.119 -1.219 18329 3231 1 4 . 1 1 83 83 THR CB C 106 70.400 70.400 69.330 1.070 18329 3232 1 4 . 1 1 83 83 THR H H 106 7.570 7.570 8.015 -0.445 18329 3233 1 4 . 1 1 84 84 GLY N N 107 112.110 112.110 110.225 1.885 18329 3234 1 4 . 1 1 84 84 GLY C C 107 172.800 172.800 173.346 -0.546 18329 3235 1 4 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.199 0.201 18329 3236 1 4 . 1 1 84 84 GLY H H 107 9.000 9.000 7.681 1.319 18329 3237 1 4 . 1 1 85 85 SER N N 108 119.030 119.030 114.829 4.201 18329 3238 1 4 . 1 1 85 85 SER CA C 108 56.300 56.300 58.243 -1.943 18329 3239 1 4 . 1 1 85 85 SER CB C 108 66.300 66.300 63.382 2.918 18329 3240 1 4 . 1 1 85 85 SER H H 108 8.950 8.950 8.714 0.236 18329 3241 1 4 . 1 1 86 86 SER HA H 109 4.480 4.480 4.797 -0.317 18329 3242 1 4 . 1 1 86 86 SER C C 109 177.000 177.000 176.388 0.612 18329 3243 1 4 . 1 1 86 86 SER CA C 109 61.600 61.600 58.852 2.748 18329 3244 1 4 . 1 1 86 86 SER CB C 109 62.900 62.900 63.273 -0.373 18329 3245 1 4 . 1 1 87 87 GLY N N 110 108.100 108.100 111.049 -2.949 18329 3246 1 4 . 1 1 87 87 GLY C C 110 177.100 177.100 175.738 1.362 18329 3247 1 4 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.618 -0.418 18329 3248 1 4 . 1 1 87 87 GLY H H 110 8.480 8.480 8.761 -0.281 18329 3249 1 4 . 1 1 88 88 GLU N N 111 123.040 123.040 121.883 1.157 18329 3250 1 4 . 1 1 88 88 GLU HA H 111 3.690 3.690 3.996 -0.306 18329 3251 1 4 . 1 1 88 88 GLU C C 111 177.700 177.700 178.919 -1.219 18329 3252 1 4 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.645 0.855 18329 3253 1 4 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.477 -0.777 18329 3254 1 4 . 1 1 88 88 GLU H H 111 7.560 7.560 7.862 -0.302 18329 3255 1 4 . 1 1 89 89 PHE N N 112 118.270 118.270 119.070 -0.800 18329 3256 1 4 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.338 0.082 18329 3257 1 4 . 1 1 89 89 PHE C C 112 178.600 178.600 178.180 0.420 18329 3258 1 4 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.284 -0.184 18329 3259 1 4 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.852 -0.952 18329 3260 1 4 . 1 1 89 89 PHE H H 112 7.200 7.200 7.565 -0.365 18329 3261 1 4 . 1 1 90 90 SER N N 113 115.980 115.980 115.504 0.476 18329 3262 1 4 . 1 1 90 90 SER HA H 113 4.290 4.290 4.145 0.145 18329 3263 1 4 . 1 1 90 90 SER C C 113 178.600 178.600 176.009 2.591 18329 3264 1 4 . 1 1 90 90 SER CA C 113 62.700 62.700 62.354 0.346 18329 3265 1 4 . 1 1 90 90 SER CB C 113 62.800 62.800 62.534 0.266 18329 3266 1 4 . 1 1 90 90 SER H H 113 8.830 8.830 8.180 0.650 18329 3267 1 4 . 1 1 91 91 ALA N N 114 123.130 123.130 123.675 -0.545 18329 3268 1 4 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.165 0.215 18329 3269 1 4 . 1 1 91 91 ALA C C 114 181.300 181.300 179.584 1.716 18329 3270 1 4 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.853 -0.153 18329 3271 1 4 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.324 0.076 18329 3272 1 4 . 1 1 91 91 ALA H H 114 7.580 7.580 7.576 0.004 18329 3273 1 4 . 1 1 92 92 MET N N 115 118.700 118.700 117.032 1.668 18329 3274 1 4 . 1 1 92 92 MET HA H 115 3.980 3.980 4.242 -0.262 18329 3275 1 4 . 1 1 92 92 MET C C 115 178.000 178.000 178.801 -0.801 18329 3276 1 4 . 1 1 92 92 MET CA C 115 61.000 61.000 57.386 3.614 18329 3277 1 4 . 1 1 92 92 MET CB C 115 31.400 31.400 31.716 -0.316 18329 3278 1 4 . 1 1 92 92 MET H H 115 7.880 7.880 8.281 -0.401 18329 3279 1 4 . 1 1 93 93 TYR N N 116 119.200 119.200 118.429 0.771 18329 3280 1 4 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.288 -0.008 18329 3281 1 4 . 1 1 93 93 TYR C C 116 176.300 176.300 178.176 -1.876 18329 3282 1 4 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.777 0.323 18329 3283 1 4 . 1 1 93 93 TYR CB C 116 38.300 38.300 37.464 0.836 18329 3284 1 4 . 1 1 93 93 TYR H H 116 7.870 7.870 7.849 0.021 18329 3285 1 4 . 1 1 94 94 ASP N N 117 120.210 120.210 120.115 0.095 18329 3286 1 4 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.400 -0.210 18329 3287 1 4 . 1 1 94 94 ASP C C 117 179.000 179.000 178.602 0.398 18329 3288 1 4 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.615 0.085 18329 3289 1 4 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.889 -0.889 18329 3290 1 4 . 1 1 94 94 ASP H H 117 8.720 8.720 7.764 0.956 18329 3291 1 4 . 1 1 95 95 LEU N N 118 118.420 118.420 119.574 -1.154 18329 3292 1 4 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.127 0.083 18329 3293 1 4 . 1 1 95 95 LEU C C 118 178.600 178.600 179.074 -0.474 18329 3294 1 4 . 1 1 95 95 LEU CA C 118 57.700 57.700 58.213 -0.513 18329 3295 1 4 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.185 1.915 18329 3296 1 4 . 1 1 95 95 LEU H H 118 7.510 7.510 7.661 -0.151 18329 3297 1 4 . 1 1 96 96 MET N N 119 118.470 118.470 119.691 -1.221 18329 3298 1 4 . 1 1 96 96 MET HA H 119 3.990 3.990 4.158 -0.168 18329 3299 1 4 . 1 1 96 96 MET C C 119 177.500 177.500 178.648 -1.148 18329 3300 1 4 . 1 1 96 96 MET CA C 119 60.500 60.500 58.155 2.345 18329 3301 1 4 . 1 1 96 96 MET CB C 119 33.900 33.900 31.589 2.311 18329 3302 1 4 . 1 1 96 96 MET H H 119 7.820 7.820 7.568 0.252 18329 3303 1 4 . 1 1 97 97 PHE N N 120 119.580 119.580 118.669 0.911 18329 3304 1 4 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.188 -0.378 18329 3305 1 4 . 1 1 97 97 PHE C C 120 178.800 178.800 178.446 0.354 18329 3306 1 4 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.693 0.107 18329 3307 1 4 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.278 0.923 18329 3308 1 4 . 1 1 97 97 PHE H H 120 8.940 8.940 8.410 0.530 18329 3309 1 4 . 1 1 98 98 GLU N N 121 119.940 119.940 119.748 0.192 18329 3310 1 4 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.103 -0.223 18329 3311 1 4 . 1 1 98 98 GLU C C 121 180.800 180.800 179.589 1.211 18329 3312 1 4 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.575 0.225 18329 3313 1 4 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.502 -0.302 18329 3314 1 4 . 1 1 98 98 GLU H H 121 8.690 8.690 8.582 0.108 18329 3315 1 4 . 1 1 99 99 VAL N N 122 115.350 115.350 118.735 -3.385 18329 3316 1 4 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.703 0.037 18329 3317 1 4 . 1 1 99 99 VAL C C 122 176.500 176.500 177.253 -0.753 18329 3318 1 4 . 1 1 99 99 VAL CA C 122 64.500 64.500 65.376 -0.876 18329 3319 1 4 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.660 -0.360 18329 3320 1 4 . 1 1 99 99 VAL H H 122 8.210 8.210 8.417 -0.207 18329 3321 1 4 . 1 1 100 100 SER N N 123 115.450 115.450 116.254 -0.804 18329 3322 1 4 . 1 1 100 100 SER HA H 123 4.270 4.270 4.187 0.083 18329 3323 1 4 . 1 1 100 100 SER C C 123 174.700 174.700 176.552 -1.852 18329 3324 1 4 . 1 1 100 100 SER CA C 123 62.000 62.000 61.453 0.547 18329 3325 1 4 . 1 1 100 100 SER H H 123 7.520 7.520 8.181 -0.661 18329 3326 1 4 . 1 1 101 101 LYS N N 124 120.310 120.310 121.903 -1.593 18329 3327 1 4 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.204 -0.234 18329 3328 1 4 . 1 1 101 101 LYS C C 124 176.600 176.600 176.264 0.336 18329 3329 1 4 . 1 1 101 101 LYS CA C 124 61.100 61.100 61.203 -0.103 18329 3330 1 4 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.080 -1.580 18329 3331 1 4 . 1 1 101 101 LYS H H 124 6.930 6.930 7.684 -0.754 18329 3332 1 4 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.310 -0.050 18329 3333 1 4 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.798 -0.598 18329 3334 1 4 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.447 -0.847 18329 3335 1 4 . 1 1 103 103 LEU N N 126 116.020 116.020 118.904 -2.884 18329 3336 1 4 . 1 1 103 103 LEU HA H 126 3.880 3.880 3.947 -0.067 18329 3337 1 4 . 1 1 103 103 LEU C C 126 177.900 177.900 179.267 -1.367 18329 3338 1 4 . 1 1 103 103 LEU CA C 126 57.700 57.700 58.474 -0.774 18329 3339 1 4 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.254 0.546 18329 3340 1 4 . 1 1 103 103 LEU H H 126 6.520 6.520 7.637 -1.117 18329 3341 1 4 . 1 1 104 104 GLN N N 127 120.500 120.500 119.689 0.811 18329 3342 1 4 . 1 1 104 104 GLN C C 127 180.600 180.600 177.647 2.953 18329 3343 1 4 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.372 -0.072 18329 3344 1 4 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.631 0.369 18329 3345 1 4 . 1 1 104 104 GLN H H 127 8.160 8.160 8.229 -0.069 18329 3346 1 4 . 1 1 105 105 LYS N N 128 120.000 120.000 118.577 1.423 18329 3347 1 4 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.010 0.040 18329 3348 1 4 . 1 1 105 105 LYS C C 128 177.100 177.100 177.763 -0.663 18329 3349 1 4 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.703 -0.203 18329 3350 1 4 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.395 -0.995 18329 3351 1 4 . 1 1 105 105 LYS H H 128 7.810 7.810 7.970 -0.160 18329 3352 1 4 . 1 1 106 106 LEU N N 129 118.530 118.530 116.210 2.320 18329 3353 1 4 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.246 -0.276 18329 3354 1 4 . 1 1 106 106 LEU C C 129 175.200 175.200 176.664 -1.464 18329 3355 1 4 . 1 1 106 106 LEU CA C 129 54.500 54.500 56.159 -1.659 18329 3356 1 4 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.395 -0.995 18329 3357 1 4 . 1 1 106 106 LEU H H 129 7.220 7.220 7.528 -0.308 18329 3358 1 4 . 1 1 107 107 GLY N N 130 101.490 101.490 103.191 -1.701 18329 3359 1 4 . 1 1 107 107 GLY C C 130 174.800 174.800 172.574 2.226 18329 3360 1 4 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.650 0.450 18329 3361 1 4 . 1 1 107 107 GLY H H 130 7.560 7.560 8.039 -0.479 18329 3362 1 4 . 1 1 108 108 ILE N N 131 121.340 121.340 119.023 2.317 18329 3363 1 4 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.641 0.509 18329 3364 1 4 . 1 1 108 108 ILE C C 131 174.300 174.300 174.998 -0.698 18329 3365 1 4 . 1 1 108 108 ILE CA C 131 60.400 60.400 63.544 -3.144 18329 3366 1 4 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.532 -2.332 18329 3367 1 4 . 1 1 108 108 ILE H H 131 7.290 7.290 8.103 -0.813 18329 3368 1 4 . 1 1 109 109 GLN N N 132 125.650 125.650 119.880 5.770 18329 3369 1 4 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.115 -0.105 18329 3370 1 4 . 1 1 109 109 GLN C C 132 176.800 176.800 174.145 2.655 18329 3371 1 4 . 1 1 109 109 GLN CA C 132 57.600 57.600 56.466 1.134 18329 3372 1 4 . 1 1 109 109 GLN CB C 132 29.000 29.000 27.212 1.788 18329 3373 1 4 . 1 1 109 109 GLN H H 132 8.080 8.080 8.581 -0.501 18329 3374 1 4 . 1 1 110 110 GLU N N 133 114.890 114.890 117.622 -2.732 18329 3375 1 4 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.334 -0.184 18329 3376 1 4 . 1 1 110 110 GLU C C 133 177.100 177.100 177.125 -0.025 18329 3377 1 4 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.130 -0.030 18329 3378 1 4 . 1 1 110 110 GLU CB C 133 27.300 27.300 29.887 -2.587 18329 3379 1 4 . 1 1 110 110 GLU H H 133 9.270 9.270 8.524 0.746 18329 3380 1 4 . 1 1 111 111 MET N N 134 121.210 121.210 119.287 1.923 18329 3381 1 4 . 1 1 111 111 MET HA H 134 4.350 4.350 4.082 0.268 18329 3382 1 4 . 1 1 111 111 MET C C 134 177.500 177.500 178.428 -0.928 18329 3383 1 4 . 1 1 111 111 MET CA C 134 57.900 57.900 59.493 -1.593 18329 3384 1 4 . 1 1 111 111 MET CB C 134 33.300 33.300 32.018 1.282 18329 3385 1 4 . 1 1 111 111 MET H H 134 7.620 7.620 8.423 -0.803 18329 3386 1 4 . 1 1 112 112 THR N N 135 113.170 113.170 113.056 0.114 18329 3387 1 4 . 1 1 112 112 THR HA H 135 3.920 3.920 3.591 0.329 18329 3388 1 4 . 1 1 112 112 THR C C 135 176.400 176.400 176.347 0.053 18329 3389 1 4 . 1 1 112 112 THR CA C 135 65.900 65.900 66.434 -0.534 18329 3390 1 4 . 1 1 112 112 THR CB C 135 68.200 68.200 68.032 0.168 18329 3391 1 4 . 1 1 112 112 THR H H 135 8.320 8.320 8.250 0.070 18329 3392 1 4 . 1 1 113 113 LYS N N 136 123.440 123.440 121.847 1.593 18329 3393 1 4 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.212 -0.282 18329 3394 1 4 . 1 1 113 113 LYS C C 136 177.600 177.600 178.680 -1.080 18329 3395 1 4 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.439 -1.139 18329 3396 1 4 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.453 -0.453 18329 3397 1 4 . 1 1 113 113 LYS H H 136 8.060 8.060 7.181 0.879 18329 3398 1 4 . 1 1 114 114 THR N N 137 114.590 114.590 115.842 -1.252 18329 3399 1 4 . 1 1 114 114 THR HA H 137 4.000 4.000 4.112 -0.112 18329 3400 1 4 . 1 1 114 114 THR C C 137 176.800 176.800 176.886 -0.086 18329 3401 1 4 . 1 1 114 114 THR CA C 137 67.600 67.600 66.104 1.496 18329 3402 1 4 . 1 1 114 114 THR CB C 137 69.200 69.200 68.513 0.687 18329 3403 1 4 . 1 1 114 114 THR H H 137 7.950 7.950 8.384 -0.434 18329 3404 1 4 . 1 1 115 115 VAL N N 138 119.080 119.080 119.885 -0.805 18329 3405 1 4 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.656 0.164 18329 3406 1 4 . 1 1 115 115 VAL C C 138 176.900 176.900 177.493 -0.593 18329 3407 1 4 . 1 1 115 115 VAL CA C 138 66.800 66.800 66.526 0.274 18329 3408 1 4 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.679 0.821 18329 3409 1 4 . 1 1 115 115 VAL H H 138 7.320 7.320 8.108 -0.788 18329 3410 1 4 . 1 1 116 116 SER N N 139 116.630 116.630 114.789 1.841 18329 3411 1 4 . 1 1 116 116 SER HA H 139 4.680 4.680 4.272 0.408 18329 3412 1 4 . 1 1 116 116 SER C C 139 179.000 179.000 176.809 2.191 18329 3413 1 4 . 1 1 116 116 SER CA C 139 61.400 61.400 61.460 -0.060 18329 3414 1 4 . 1 1 116 116 SER CB C 139 62.800 62.800 63.090 -0.290 18329 3415 1 4 . 1 1 116 116 SER H H 139 8.990 8.990 7.724 1.266 18329 3416 1 4 . 1 1 117 117 ASP N N 140 124.220 124.220 122.454 1.766 18329 3417 1 4 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.528 -0.168 18329 3418 1 4 . 1 1 117 117 ASP C C 140 179.900 179.900 178.697 1.203 18329 3419 1 4 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.530 0.770 18329 3420 1 4 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.442 -0.942 18329 3421 1 4 . 1 1 117 117 ASP H H 140 9.480 9.480 8.239 1.241 18329 3422 1 4 . 1 1 118 118 ALA N N 141 121.420 121.420 121.809 -0.389 18329 3423 1 4 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.180 0.100 18329 3424 1 4 . 1 1 118 118 ALA C C 141 179.800 179.800 178.611 1.189 18329 3425 1 4 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.656 -0.256 18329 3426 1 4 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.401 0.599 18329 3427 1 4 . 1 1 118 118 ALA H H 141 7.340 7.340 7.920 -0.580 18329 3428 1 4 . 1 1 119 119 ALA N N 142 121.680 121.680 118.925 2.755 18329 3429 1 4 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.064 0.066 18329 3430 1 4 . 1 1 119 119 ALA C C 142 178.800 178.800 178.728 0.072 18329 3431 1 4 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.011 -0.811 18329 3432 1 4 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.693 -0.393 18329 3433 1 4 . 1 1 119 119 ALA H H 142 7.890 7.890 7.428 0.462 18329 3434 1 4 . 1 1 120 120 GLU N N 143 117.690 117.690 119.238 -1.548 18329 3435 1 4 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.026 -0.086 18329 3436 1 4 . 1 1 120 120 GLU C C 143 178.100 178.100 177.433 0.667 18329 3437 1 4 . 1 1 120 120 GLU CA C 143 58.700 58.700 57.446 1.254 18329 3438 1 4 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.056 0.444 18329 3439 1 4 . 1 1 120 120 GLU H H 143 7.500 7.500 7.581 -0.081 18329 3440 1 4 . 1 1 121 121 GLU N N 144 115.680 115.680 117.507 -1.827 18329 3441 1 4 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.005 0.155 18329 3442 1 4 . 1 1 121 121 GLU C C 144 176.100 176.100 176.648 -0.548 18329 3443 1 4 . 1 1 121 121 GLU CA C 144 56.900 56.900 59.001 -2.101 18329 3444 1 4 . 1 1 121 121 GLU CB C 144 31.100 31.100 29.308 1.792 18329 3445 1 4 . 1 1 121 121 GLU H H 144 6.970 6.970 8.722 -1.752 18329 3446 1 4 . 1 1 122 122 ASN N N 145 117.750 117.750 118.594 -0.844 18329 3447 1 4 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.047 -0.057 18329 3448 1 4 . 1 1 122 122 ASN C C 145 185.300 185.300 172.603 12.697 18329 3449 1 4 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.498 -0.298 18329 3450 1 4 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.388 1.712 18329 3451 1 4 . 1 1 122 122 ASN H H 145 7.670 7.670 8.354 -0.684 18329 3452 1 4 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.632 -0.002 18329 3453 1 4 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.287 -1.287 18329 3454 1 4 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.499 -0.199 18329 3455 1 4 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.185 0.255 18329 3456 1 4 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.706 -0.806 18329 3457 1 4 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.127 -2.727 18329 3458 1 4 . 1 1 125 125 THR N N 148 106.090 106.090 116.757 -10.667 18329 3459 1 4 . 1 1 125 125 THR HA H 148 4.530 4.530 4.419 0.111 18329 3460 1 4 . 1 1 125 125 THR C C 148 174.300 174.300 174.086 0.214 18329 3461 1 4 . 1 1 125 125 THR CA C 148 61.200 61.200 62.259 -1.059 18329 3462 1 4 . 1 1 125 125 THR CB C 148 68.600 68.600 69.277 -0.677 18329 3463 1 4 . 1 1 125 125 THR H H 148 7.800 7.800 8.073 -0.273 18329 3464 1 4 . 1 1 126 126 THR N N 149 108.650 108.650 111.309 -2.659 18329 3465 1 4 . 1 1 126 126 THR HA H 149 4.170 4.170 4.433 -0.263 18329 3466 1 4 . 1 1 126 126 THR C C 149 173.100 173.100 173.293 -0.193 18329 3467 1 4 . 1 1 126 126 THR CA C 149 58.800 58.800 59.596 -0.796 18329 3468 1 4 . 1 1 126 126 THR CB C 149 73.100 73.100 71.024 2.076 18329 3469 1 4 . 1 1 126 126 THR H H 149 7.350 7.350 7.122 0.228 18329 3470 1 4 . 1 1 127 127 ALA N N 150 123.270 123.270 123.310 -0.040 18329 3471 1 4 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.613 -0.593 18329 3472 1 4 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.141 -0.141 18329 3473 1 4 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.433 0.268 18329 3474 1 4 . 1 1 127 127 ALA H H 150 7.750 7.750 8.561 -0.811 18329 3475 1 4 . 1 1 128 128 GLN N N 151 114.920 114.920 118.155 -3.235 18329 3476 1 4 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.050 -0.300 18329 3477 1 4 . 1 1 128 128 GLN C C 151 178.400 178.400 178.159 0.241 18329 3478 1 4 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.571 0.229 18329 3479 1 4 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.388 -1.188 18329 3480 1 4 . 1 1 128 128 GLN H H 151 8.300 8.300 8.410 -0.110 18329 3481 1 4 . 1 1 129 129 GLY N N 152 107.280 107.280 107.585 -0.305 18329 3482 1 4 . 1 1 129 129 GLY C C 152 174.900 174.900 176.323 -1.423 18329 3483 1 4 . 1 1 129 129 GLY CA C 152 47.200 47.200 47.100 0.100 18329 3484 1 4 . 1 1 129 129 GLY H H 152 7.920 7.920 7.723 0.197 18329 3485 1 4 . 1 1 130 130 VAL N N 153 119.440 119.440 121.587 -2.147 18329 3486 1 4 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.826 -0.356 18329 3487 1 4 . 1 1 130 130 VAL C C 153 177.700 177.700 177.884 -0.184 18329 3488 1 4 . 1 1 130 130 VAL CA C 153 67.800 67.800 64.976 2.824 18329 3489 1 4 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.793 -0.093 18329 3490 1 4 . 1 1 130 130 VAL H H 153 7.390 7.390 7.452 -0.062 18329 3491 1 4 . 1 1 131 131 LEU N N 154 118.990 118.990 120.352 -1.362 18329 3492 1 4 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.891 0.019 18329 3493 1 4 . 1 1 131 131 LEU C C 154 180.400 180.400 178.291 2.109 18329 3494 1 4 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.056 0.243 18329 3495 1 4 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.616 -0.616 18329 3496 1 4 . 1 1 131 131 LEU H H 154 8.640 8.640 7.357 1.283 18329 3497 1 4 . 1 1 132 132 GLU N N 155 120.980 120.980 119.146 1.834 18329 3498 1 4 . 1 1 132 132 GLU HA H 155 4.120 4.120 3.994 0.126 18329 3499 1 4 . 1 1 132 132 GLU C C 155 179.400 179.400 179.244 0.156 18329 3500 1 4 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.584 -0.684 18329 3501 1 4 . 1 1 132 132 GLU CB C 155 29.200 29.200 28.938 0.262 18329 3502 1 4 . 1 1 132 132 GLU H H 155 8.000 8.000 7.758 0.242 18329 3503 1 4 . 1 1 133 133 ILE N N 156 121.830 121.830 119.450 2.380 18329 3504 1 4 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.774 -0.194 18329 3505 1 4 . 1 1 133 133 ILE C C 156 178.000 178.000 178.116 -0.116 18329 3506 1 4 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.176 2.324 18329 3507 1 4 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.285 3.315 18329 3508 1 4 . 1 1 133 133 ILE H H 156 8.040 8.040 7.348 0.692 18329 3509 1 4 . 1 1 134 134 ALA N N 157 121.470 121.470 123.337 -1.867 18329 3510 1 4 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.921 -0.021 18329 3511 1 4 . 1 1 134 134 ALA C C 157 178.800 178.800 179.631 -0.831 18329 3512 1 4 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.211 0.089 18329 3513 1 4 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.115 -0.015 18329 3514 1 4 . 1 1 134 134 ALA H H 157 8.950 8.950 8.016 0.934 18329 3515 1 4 . 1 1 135 135 LYS N N 158 118.470 118.470 118.251 0.219 18329 3516 1 4 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.956 -0.046 18329 3517 1 4 . 1 1 135 135 LYS C C 158 179.300 179.300 178.963 0.337 18329 3518 1 4 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.297 0.203 18329 3519 1 4 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.422 -1.022 18329 3520 1 4 . 1 1 135 135 LYS H H 158 8.000 8.000 8.003 -0.003 18329 3521 1 4 . 1 1 136 136 LYS N N 159 118.000 118.000 118.886 -0.886 18329 3522 1 4 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.306 -0.256 18329 3523 1 4 . 1 1 136 136 LYS C C 159 180.200 180.200 179.536 0.664 18329 3524 1 4 . 1 1 136 136 LYS CA C 159 59.500 59.500 58.810 0.690 18329 3525 1 4 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.107 -1.207 18329 3526 1 4 . 1 1 136 136 LYS H H 159 7.530 7.530 8.103 -0.573 18329 3527 1 4 . 1 1 137 137 MET N N 160 120.990 120.990 119.561 1.429 18329 3528 1 4 . 1 1 137 137 MET HA H 160 3.800 3.800 4.076 -0.276 18329 3529 1 4 . 1 1 137 137 MET C C 160 177.400 177.400 178.159 -0.759 18329 3530 1 4 . 1 1 137 137 MET CA C 160 60.600 60.600 60.054 0.546 18329 3531 1 4 . 1 1 137 137 MET CB C 160 31.800 31.800 32.564 -0.764 18329 3532 1 4 . 1 1 137 137 MET H H 160 8.660 8.660 8.480 0.180 18329 3533 1 4 . 1 1 138 138 ARG N N 161 119.480 119.480 119.143 0.337 18329 3534 1 4 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.924 -0.124 18329 3535 1 4 . 1 1 138 138 ARG C C 161 177.900 177.900 178.543 -0.643 18329 3536 1 4 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.720 0.880 18329 3537 1 4 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.251 -0.451 18329 3538 1 4 . 1 1 138 138 ARG H H 161 9.280 9.280 7.981 1.300 18329 3539 1 4 . 1 1 139 139 GLU N N 162 118.700 118.700 119.096 -0.396 18329 3540 1 4 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.028 -0.028 18329 3541 1 4 . 1 1 139 139 GLU C C 162 179.100 179.100 178.677 0.423 18329 3542 1 4 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.252 0.548 18329 3543 1 4 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.533 -0.033 18329 3544 1 4 . 1 1 139 139 GLU H H 162 8.430 8.430 7.971 0.459 18329 3545 1 4 . 1 1 140 140 LYS N N 163 119.310 119.310 120.318 -1.008 18329 3546 1 4 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.102 0.108 18329 3547 1 4 . 1 1 140 140 LYS C C 163 177.900 177.900 179.167 -1.267 18329 3548 1 4 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.667 0.233 18329 3549 1 4 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.290 -1.190 18329 3550 1 4 . 1 1 140 140 LYS H H 163 7.440 7.440 7.867 -0.427 18329 3551 1 4 . 1 1 141 141 LEU N N 164 117.630 117.630 119.167 -1.537 18329 3552 1 4 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.028 -0.138 18329 3553 1 4 . 1 1 141 141 LEU C C 164 178.700 178.700 178.422 0.278 18329 3554 1 4 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.446 0.554 18329 3555 1 4 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.820 -0.320 18329 3556 1 4 . 1 1 141 141 LEU H H 164 8.180 8.180 7.873 0.307 18329 3557 1 4 . 1 1 142 142 GLN N N 165 117.710 117.710 119.155 -1.445 18329 3558 1 4 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.938 0.372 18329 3559 1 4 . 1 1 142 142 GLN C C 165 179.200 179.200 178.603 0.597 18329 3560 1 4 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.547 -1.047 18329 3561 1 4 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.586 -1.086 18329 3562 1 4 . 1 1 142 142 GLN H H 165 8.730 8.730 7.810 0.920 18329 3563 1 4 . 1 1 143 143 ARG N N 166 121.410 121.410 119.118 2.292 18329 3564 1 4 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.102 0.088 18329 3565 1 4 . 1 1 143 143 ARG C C 166 179.700 179.700 178.775 0.925 18329 3566 1 4 . 1 1 143 143 ARG CA C 166 59.800 59.800 58.960 0.840 18329 3567 1 4 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.931 0.269 18329 3568 1 4 . 1 1 143 143 ARG H H 166 8.050 8.050 7.884 0.166 18329 3569 1 4 . 1 1 144 144 VAL N N 167 120.950 120.950 120.490 0.460 18329 3570 1 4 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.635 0.125 18329 3571 1 4 . 1 1 144 144 VAL C C 167 179.200 179.200 177.829 1.371 18329 3572 1 4 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.690 -0.290 18329 3573 1 4 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.588 0.512 18329 3574 1 4 . 1 1 144 144 VAL H H 167 8.190 8.190 7.524 0.666 18329 3575 1 4 . 1 1 145 145 HIS N N 168 123.520 123.520 118.539 4.981 18329 3576 1 4 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.494 -0.594 18329 3577 1 4 . 1 1 145 145 HIS C C 168 177.100 177.100 177.462 -0.362 18329 3578 1 4 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.368 1.932 18329 3579 1 4 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.183 -0.283 18329 3580 1 4 . 1 1 145 145 HIS H H 168 9.240 9.240 8.002 1.238 18329 3581 1 4 . 1 1 146 146 THR N N 169 115.020 115.020 117.594 -2.574 18329 3582 1 4 . 1 1 146 146 THR HA H 169 3.860 3.860 4.236 -0.376 18329 3583 1 4 . 1 1 146 146 THR C C 169 175.700 175.700 176.335 -0.635 18329 3584 1 4 . 1 1 146 146 THR CA C 169 67.200 67.200 67.050 0.150 18329 3585 1 4 . 1 1 146 146 THR CB C 169 69.300 69.300 68.720 0.580 18329 3586 1 4 . 1 1 146 146 THR H H 169 8.750 8.750 8.603 0.147 18329 3587 1 4 . 1 1 147 147 LYS N N 170 120.300 120.300 121.816 -1.516 18329 3588 1 4 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.999 0.001 18329 3589 1 4 . 1 1 147 147 LYS C C 170 179.300 179.300 178.912 0.388 18329 3590 1 4 . 1 1 147 147 LYS CA C 170 59.100 59.100 60.077 -0.977 18329 3591 1 4 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.212 -0.412 18329 3592 1 4 . 1 1 147 147 LYS H H 170 8.020 8.020 8.157 -0.137 18329 3593 1 4 . 1 1 148 148 ASN N N 171 117.600 117.600 117.999 -0.399 18329 3594 1 4 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.485 -0.165 18329 3595 1 4 . 1 1 148 148 ASN C C 171 175.400 175.400 177.553 -2.153 18329 3596 1 4 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.750 1.950 18329 3597 1 4 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.337 1.363 18329 3598 1 4 . 1 1 148 148 ASN H H 171 7.810 7.810 7.697 0.113 18329 3599 1 4 . 1 1 149 149 TYR N N 172 121.560 121.560 121.348 0.212 18329 3600 1 4 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.225 -0.335 18329 3601 1 4 . 1 1 149 149 TYR C C 172 176.900 176.900 177.488 -0.588 18329 3602 1 4 . 1 1 149 149 TYR CA C 172 61.500 61.500 62.062 -0.562 18329 3603 1 4 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.741 0.179 18329 3604 1 4 . 1 1 149 149 TYR H H 172 9.020 9.020 7.733 1.287 18329 3605 1 4 . 1 1 150 150 CYS N N 173 116.050 116.050 118.230 -2.180 18329 3606 1 4 . 1 1 150 150 CYS C C 173 177.100 177.100 176.453 0.647 18329 3607 1 4 . 1 1 150 150 CYS CA C 173 58.400 58.400 60.972 -2.572 18329 3608 1 4 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.194 12.406 18329 3609 1 4 . 1 1 150 150 CYS H H 173 8.810 8.810 8.609 0.201 18329 3610 1 4 . 1 1 151 151 THR N N 174 117.190 117.190 114.335 2.855 18329 3611 1 4 . 1 1 151 151 THR HA H 174 3.880 3.880 4.011 -0.131 18329 3612 1 4 . 1 1 151 151 THR C C 174 176.000 176.000 176.722 -0.722 18329 3613 1 4 . 1 1 151 151 THR CA C 174 66.900 66.900 65.237 1.663 18329 3614 1 4 . 1 1 151 151 THR CB C 174 68.500 68.500 68.324 0.176 18329 3615 1 4 . 1 1 151 151 THR H H 174 7.720 7.720 8.083 -0.363 18329 3616 1 4 . 1 1 152 152 LEU N N 175 123.110 123.110 123.311 -0.201 18329 3617 1 4 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.103 -0.293 18329 3618 1 4 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.312 0.688 18329 3619 1 4 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.600 -0.100 18329 3620 1 4 . 1 1 152 152 LEU H H 175 7.870 7.870 7.661 0.209 18329 3621 1 4 . 1 1 153 153 LYS N N 176 117.270 117.270 118.136 -0.866 18329 3622 1 4 . 1 1 153 153 LYS HA H 176 3.700 3.700 4.066 -0.366 18329 3623 1 4 . 1 1 153 153 LYS C C 176 179.100 179.100 177.403 1.697 18329 3624 1 4 . 1 1 153 153 LYS CA C 176 56.700 56.700 57.452 -0.752 18329 3625 1 4 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.294 -1.394 18329 3626 1 4 . 1 1 153 153 LYS H H 176 7.900 7.900 7.540 0.360 18329 3627 1 4 . 1 1 154 154 LYS N N 177 119.290 119.290 118.079 1.211 18329 3628 1 4 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.044 0.216 18329 3629 1 4 . 1 1 154 154 LYS C C 177 178.100 178.100 178.393 -0.293 18329 3630 1 4 . 1 1 154 154 LYS CA C 177 57.800 57.800 58.863 -1.063 18329 3631 1 4 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.714 0.086 18329 3632 1 4 . 1 1 154 154 LYS H H 177 7.540 7.540 7.655 -0.115 18329 3633 1 4 . 1 1 155 155 LYS N N 178 118.910 118.910 119.168 -0.258 18329 3634 1 4 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.145 -0.095 18329 3635 1 4 . 1 1 155 155 LYS C C 178 178.100 178.100 178.865 -0.765 18329 3636 1 4 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.494 -0.494 18329 3637 1 4 . 1 1 155 155 LYS CB C 178 32.200 32.200 31.932 0.268 18329 3638 1 4 . 1 1 155 155 LYS H H 178 7.630 7.630 7.596 0.034 18329 3639 1 4 . 1 1 156 156 GLU N N 179 117.950 117.950 118.873 -0.923 18329 3640 1 4 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.170 -0.060 18329 3641 1 4 . 1 1 156 156 GLU C C 179 176.700 176.700 178.692 -1.992 18329 3642 1 4 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.546 -1.046 18329 3643 1 4 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.385 0.215 18329 3644 1 4 . 1 1 156 156 GLU H H 179 7.560 7.560 7.757 -0.197 18329 3645 1 4 . 1 1 157 157 ASN N N 180 116.590 116.590 115.744 0.846 18329 3646 1 4 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.625 0.095 18329 3647 1 4 . 1 1 157 157 ASN C C 180 175.000 175.000 176.769 -1.769 18329 3648 1 4 . 1 1 157 157 ASN CA C 180 52.700 52.700 54.497 -1.797 18329 3649 1 4 . 1 1 157 157 ASN CB C 180 38.800 38.800 38.943 -0.143 18329 3650 1 4 . 1 1 157 157 ASN H H 180 7.820 7.820 7.851 -0.031 18329 3651 1 4 . 1 1 158 158 SER HA H 181 4.450 4.450 4.138 0.312 18329 3652 1 4 . 1 1 158 158 SER CA C 181 60.400 60.400 60.192 0.208 18329 3653 1 4 . 1 1 158 158 SER CB C 181 63.500 63.500 61.658 1.842 18329 3654 1 4 . 1 1 158 158 SER H H 181 8.030 8.030 8.340 -0.310 18329 3655 1 4 . 1 1 159 159 THR N N 182 112.800 112.800 113.430 -0.630 18329 3656 1 4 . 1 1 159 159 THR HA H 182 4.380 4.380 4.520 -0.140 18329 3657 1 4 . 1 1 159 159 THR C C 182 174.300 174.300 174.202 0.098 18329 3658 1 4 . 1 1 159 159 THR CA C 182 61.800 61.800 61.801 -0.001 18329 3659 1 4 . 1 1 159 159 THR CB C 182 69.100 69.100 70.015 -0.915 18329 3660 1 4 . 1 1 159 159 THR H H 182 8.070 8.070 8.171 -0.101 18329 3661 1 4 . 1 1 160 160 PHE N N 183 123.120 123.120 113.547 9.573 18329 3662 1 4 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.848 -0.408 18329 3663 1 4 . 1 1 160 160 PHE C C 183 175.100 175.100 174.982 0.118 18329 3664 1 4 . 1 1 160 160 PHE CA C 183 58.900 58.900 57.901 0.999 18329 3665 1 4 . 1 1 160 160 PHE CB C 183 40.000 40.000 39.156 0.844 18329 3666 1 4 . 1 1 160 160 PHE H H 183 7.900 7.900 7.777 0.123 18329 3667 1 4 . 1 1 161 161 THR N N 184 119.330 119.330 114.938 4.392 18329 3668 1 4 . 1 1 161 161 THR HA H 184 4.190 4.190 4.206 -0.016 18329 3669 1 4 . 1 1 161 161 THR CA C 184 60.700 60.700 61.909 -1.209 18329 3670 1 4 . 1 1 161 161 THR CB C 184 70.700 70.700 69.957 0.743 18329 3671 1 4 . 1 1 161 161 THR H H 184 7.810 7.810 5.991 1.819 18329 3672 1 4 . 1 1 162 162 ASP N N 185 123.190 123.190 121.037 2.153 18329 3673 1 4 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.332 0.078 18329 3674 1 4 . 1 1 162 162 ASP C C 185 176.900 176.900 174.674 2.226 18329 3675 1 4 . 1 1 162 162 ASP CA C 185 53.900 53.900 55.432 -1.532 18329 3676 1 4 . 1 1 162 162 ASP CB C 185 44.000 44.000 40.619 3.381 18329 3677 1 4 . 1 1 162 162 ASP H H 185 8.000 8.000 8.651 -0.651 18329 3678 1 4 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.466 0.014 18329 3679 1 4 . 1 1 163 163 GLU CA C 186 58.800 58.800 56.176 2.624 18329 3680 1 4 . 1 1 163 163 GLU CB C 186 28.100 28.100 31.826 -3.726 18329 3681 1 4 . 1 1 166 166 LYS N N 189 118.150 118.150 119.748 -1.598 18329 3682 1 4 . 1 1 166 166 LYS HA H 189 4.220 4.220 3.885 0.335 18329 3683 1 4 . 1 1 166 166 LYS C C 189 177.500 177.500 174.757 2.743 18329 3684 1 4 . 1 1 166 166 LYS CA C 189 58.000 58.000 57.128 0.872 18329 3685 1 4 . 1 1 166 166 LYS CB C 189 32.600 32.600 30.837 1.763 18329 3686 1 4 . 1 1 166 166 LYS H H 189 8.890 8.890 8.531 0.359 18329 3687 1 4 . 1 1 167 167 ASN N N 190 116.210 116.210 118.874 -2.664 18329 3688 1 4 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.686 0.274 18329 3689 1 4 . 1 1 167 167 ASN C C 190 174.900 174.900 174.017 0.883 18329 3690 1 4 . 1 1 167 167 ASN CA C 190 52.900 52.900 52.633 0.267 18329 3691 1 4 . 1 1 167 167 ASN CB C 190 38.400 38.400 39.088 -0.688 18329 3692 1 4 . 1 1 167 167 ASN H H 190 8.030 8.030 8.058 -0.028 18329 3693 1 5 . 1 1 2 2 ALA N N 25 125.000 125.000 124.928 0.072 18329 3694 1 5 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.402 -0.032 18329 3695 1 5 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.853 -0.553 18329 3696 1 5 . 1 1 2 2 ALA CB C 25 19.700 19.700 19.892 -0.192 18329 3697 1 5 . 1 1 2 2 ALA H H 25 8.690 8.690 8.275 0.415 18329 3698 1 5 . 1 1 3 3 GLY N N 26 106.920 106.920 108.156 -1.236 18329 3699 1 5 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.296 -1.296 18329 3700 1 5 . 1 1 3 3 GLY H H 26 7.940 7.940 8.094 -0.154 18329 3701 1 5 . 1 1 4 4 LEU N N 27 119.140 119.140 123.945 -4.805 18329 3702 1 5 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.286 0.124 18329 3703 1 5 . 1 1 4 4 LEU C C 27 177.100 177.100 176.518 0.582 18329 3704 1 5 . 1 1 4 4 LEU CA C 27 54.400 54.400 56.515 -2.115 18329 3705 1 5 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.498 -0.398 18329 3706 1 5 . 1 1 4 4 LEU H H 27 8.210 8.210 8.059 0.151 18329 3707 1 5 . 1 1 5 5 THR N N 28 112.940 112.940 108.709 4.231 18329 3708 1 5 . 1 1 5 5 THR HA H 28 4.650 4.650 4.054 0.596 18329 3709 1 5 . 1 1 5 5 THR C C 28 175.500 175.500 174.726 0.774 18329 3710 1 5 . 1 1 5 5 THR CA C 28 60.100 60.100 62.187 -2.087 18329 3711 1 5 . 1 1 5 5 THR CB C 28 72.600 72.600 67.182 5.418 18329 3712 1 5 . 1 1 5 5 THR H H 28 9.220 9.220 7.821 1.399 18329 3713 1 5 . 1 1 6 6 GLY N N 29 108.230 108.230 109.651 -1.421 18329 3714 1 5 . 1 1 6 6 GLY C C 29 174.800 174.800 175.564 -0.764 18329 3715 1 5 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.660 1.340 18329 3716 1 5 . 1 1 6 6 GLY H H 29 8.520 8.520 8.391 0.129 18329 3717 1 5 . 1 1 7 7 ALA HA H 30 4.040 4.040 3.899 0.141 18329 3718 1 5 . 1 1 7 7 ALA CA C 30 54.800 54.800 54.399 0.401 18329 3719 1 5 . 1 1 7 7 ALA CB C 30 18.200 18.200 17.561 0.638 18329 3720 1 5 . 1 1 8 8 THR N N 31 116.970 116.970 117.941 -0.971 18329 3721 1 5 . 1 1 8 8 THR HA H 31 3.740 3.740 3.907 -0.167 18329 3722 1 5 . 1 1 8 8 THR C C 31 175.300 175.300 176.426 -1.126 18329 3723 1 5 . 1 1 8 8 THR CA C 31 67.000 67.000 66.659 0.341 18329 3724 1 5 . 1 1 8 8 THR CB C 31 68.700 68.700 68.451 0.249 18329 3725 1 5 . 1 1 8 8 THR H H 31 8.110 8.110 8.164 -0.054 18329 3726 1 5 . 1 1 9 9 LYS N N 32 120.540 120.540 121.513 -0.973 18329 3727 1 5 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.008 -0.418 18329 3728 1 5 . 1 1 9 9 LYS C C 32 176.900 176.900 178.415 -1.515 18329 3729 1 5 . 1 1 9 9 LYS CA C 32 59.800 59.800 58.694 1.106 18329 3730 1 5 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.774 0.626 18329 3731 1 5 . 1 1 9 9 LYS H H 32 6.860 6.860 7.658 -0.798 18329 3732 1 5 . 1 1 10 10 ILE N N 33 115.940 115.940 119.683 -3.743 18329 3733 1 5 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.656 0.054 18329 3734 1 5 . 1 1 10 10 ILE C C 33 179.000 179.000 178.121 0.879 18329 3735 1 5 . 1 1 10 10 ILE CA C 33 64.000 64.000 65.883 -1.883 18329 3736 1 5 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.649 0.351 18329 3737 1 5 . 1 1 10 10 ILE H H 33 7.380 7.380 8.451 -1.071 18329 3738 1 5 . 1 1 11 11 ARG N N 34 118.350 118.350 119.054 -0.704 18329 3739 1 5 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.054 -0.014 18329 3740 1 5 . 1 1 11 11 ARG C C 34 180.000 180.000 179.240 0.760 18329 3741 1 5 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.388 0.012 18329 3742 1 5 . 1 1 11 11 ARG CB C 34 30.300 30.300 29.923 0.377 18329 3743 1 5 . 1 1 11 11 ARG H H 34 8.250 8.250 7.712 0.538 18329 3744 1 5 . 1 1 12 12 LEU N N 35 117.420 117.420 120.552 -3.132 18329 3745 1 5 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.184 -0.014 18329 3746 1 5 . 1 1 12 12 LEU C C 35 179.000 179.000 179.043 -0.043 18329 3747 1 5 . 1 1 12 12 LEU CA C 35 58.000 58.000 58.109 -0.109 18329 3748 1 5 . 1 1 12 12 LEU CB C 35 40.800 40.800 40.974 -0.174 18329 3749 1 5 . 1 1 12 12 LEU H H 35 8.340 8.340 7.639 0.701 18329 3750 1 5 . 1 1 13 13 GLU N N 36 117.890 117.890 119.773 -1.883 18329 3751 1 5 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.989 0.031 18329 3752 1 5 . 1 1 13 13 GLU C C 36 180.100 180.100 179.016 1.084 18329 3753 1 5 . 1 1 13 13 GLU CA C 36 60.200 60.200 60.005 0.195 18329 3754 1 5 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.667 -1.367 18329 3755 1 5 . 1 1 13 13 GLU H H 36 8.610 8.610 8.890 -0.280 18329 3756 1 5 . 1 1 14 14 ARG N N 37 121.100 121.100 119.563 1.537 18329 3757 1 5 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.058 0.182 18329 3758 1 5 . 1 1 14 14 ARG C C 37 178.100 178.100 178.708 -0.608 18329 3759 1 5 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.524 -1.024 18329 3760 1 5 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.312 -0.112 18329 3761 1 5 . 1 1 14 14 ARG H H 37 7.980 7.980 8.662 -0.682 18329 3762 1 5 . 1 1 15 15 SER N N 38 115.420 115.420 114.136 1.284 18329 3763 1 5 . 1 1 15 15 SER HA H 38 4.380 4.380 4.358 0.022 18329 3764 1 5 . 1 1 15 15 SER C C 38 177.300 177.300 176.068 1.232 18329 3765 1 5 . 1 1 15 15 SER CA C 38 62.200 62.200 60.975 1.224 18329 3766 1 5 . 1 1 15 15 SER CB C 38 63.200 63.200 63.164 0.036 18329 3767 1 5 . 1 1 15 15 SER H H 38 8.230 8.230 8.370 -0.140 18329 3768 1 5 . 1 1 16 16 ALA N N 39 123.970 123.970 124.184 -0.214 18329 3769 1 5 . 1 1 16 16 ALA HA H 39 3.630 3.630 3.838 -0.208 18329 3770 1 5 . 1 1 16 16 ALA C C 39 179.500 179.500 180.108 -0.608 18329 3771 1 5 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.925 -0.225 18329 3772 1 5 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.469 -0.469 18329 3773 1 5 . 1 1 16 16 ALA H H 39 8.280 8.280 8.434 -0.154 18329 3774 1 5 . 1 1 17 17 LYS N N 40 121.690 121.690 118.300 3.390 18329 3775 1 5 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.015 0.075 18329 3776 1 5 . 1 1 17 17 LYS C C 40 178.000 178.000 178.288 -0.288 18329 3777 1 5 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.008 -0.608 18329 3778 1 5 . 1 1 17 17 LYS CB C 40 31.800 31.800 31.666 0.134 18329 3779 1 5 . 1 1 17 17 LYS H H 40 7.930 7.930 8.304 -0.374 18329 3780 1 5 . 1 1 18 18 ASP N N 41 118.730 118.730 119.557 -0.827 18329 3781 1 5 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.495 -0.135 18329 3782 1 5 . 1 1 18 18 ASP C C 41 179.900 179.900 178.648 1.252 18329 3783 1 5 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.660 1.040 18329 3784 1 5 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.288 -0.689 18329 3785 1 5 . 1 1 18 18 ASP H H 41 8.320 8.320 7.693 0.627 18329 3786 1 5 . 1 1 19 19 ILE N N 42 118.180 118.180 120.234 -2.054 18329 3787 1 5 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.655 0.035 18329 3788 1 5 . 1 1 19 19 ILE C C 42 177.400 177.400 177.821 -0.421 18329 3789 1 5 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.396 -0.196 18329 3790 1 5 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.675 0.225 18329 3791 1 5 . 1 1 19 19 ILE H H 42 7.420 7.420 7.977 -0.557 18329 3792 1 5 . 1 1 20 20 THR N N 43 113.360 113.360 113.046 0.314 18329 3793 1 5 . 1 1 20 20 THR HA H 43 3.770 3.770 4.055 -0.285 18329 3794 1 5 . 1 1 20 20 THR C C 43 177.800 177.800 176.491 1.309 18329 3795 1 5 . 1 1 20 20 THR CA C 43 66.400 66.400 65.660 0.740 18329 3796 1 5 . 1 1 20 20 THR CB C 43 67.400 67.400 68.183 -0.783 18329 3797 1 5 . 1 1 20 20 THR H H 43 7.610 7.610 7.568 0.042 18329 3798 1 5 . 1 1 21 21 ASP N N 44 123.650 123.650 122.402 1.248 18329 3799 1 5 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.385 0.025 18329 3800 1 5 . 1 1 21 21 ASP C C 44 179.200 179.200 178.381 0.819 18329 3801 1 5 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.482 -0.282 18329 3802 1 5 . 1 1 21 21 ASP CB C 44 39.600 39.600 39.916 -0.316 18329 3803 1 5 . 1 1 21 21 ASP H H 44 9.260 9.260 8.131 1.129 18329 3804 1 5 . 1 1 22 22 GLU N N 45 123.560 123.560 119.888 3.672 18329 3805 1 5 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.173 0.197 18329 3806 1 5 . 1 1 22 22 GLU C C 45 178.500 178.500 179.092 -0.592 18329 3807 1 5 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.860 -0.660 18329 3808 1 5 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.811 -0.611 18329 3809 1 5 . 1 1 22 22 GLU H H 45 7.750 7.750 7.800 -0.050 18329 3810 1 5 . 1 1 23 23 ILE N N 46 119.940 119.940 114.759 5.181 18329 3811 1 5 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.754 -0.134 18329 3812 1 5 . 1 1 23 23 ILE C C 46 177.600 177.600 177.837 -0.237 18329 3813 1 5 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.227 1.373 18329 3814 1 5 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.391 -0.391 18329 3815 1 5 . 1 1 23 23 ILE H H 46 8.360 8.360 7.340 1.020 18329 3816 1 5 . 1 1 24 24 ASP N N 47 120.730 120.730 120.687 0.043 18329 3817 1 5 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.343 0.057 18329 3818 1 5 . 1 1 24 24 ASP C C 47 178.900 178.900 178.296 0.604 18329 3819 1 5 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.068 0.432 18329 3820 1 5 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.858 -0.958 18329 3821 1 5 . 1 1 24 24 ASP H H 47 8.280 8.280 8.347 -0.067 18329 3822 1 5 . 1 1 25 25 ALA N N 48 123.870 123.870 121.715 2.155 18329 3823 1 5 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.086 0.034 18329 3824 1 5 . 1 1 25 25 ALA C C 48 180.400 180.400 179.342 1.058 18329 3825 1 5 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.667 0.833 18329 3826 1 5 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.158 -0.358 18329 3827 1 5 . 1 1 25 25 ALA H H 48 7.880 7.880 7.563 0.317 18329 3828 1 5 . 1 1 26 26 ILE N N 49 121.970 121.970 118.015 3.955 18329 3829 1 5 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.991 -0.261 18329 3830 1 5 . 1 1 26 26 ILE C C 49 178.400 178.400 178.221 0.179 18329 3831 1 5 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.771 1.129 18329 3832 1 5 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.754 -0.254 18329 3833 1 5 . 1 1 26 26 ILE H H 49 8.710 8.710 7.403 1.307 18329 3834 1 5 . 1 1 27 27 LYS N N 50 119.820 119.820 118.487 1.333 18329 3835 1 5 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.864 0.016 18329 3836 1 5 . 1 1 27 27 LYS C C 50 179.900 179.900 178.659 1.241 18329 3837 1 5 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.712 0.689 18329 3838 1 5 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.762 0.138 18329 3839 1 5 . 1 1 27 27 LYS H H 50 8.540 8.540 7.789 0.751 18329 3840 1 5 . 1 1 28 28 LYS N N 51 121.960 121.960 119.936 2.024 18329 3841 1 5 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.011 0.079 18329 3842 1 5 . 1 1 28 28 LYS C C 51 179.200 179.200 179.140 0.060 18329 3843 1 5 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.240 0.059 18329 3844 1 5 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.349 -0.949 18329 3845 1 5 . 1 1 28 28 LYS H H 51 8.070 8.070 7.484 0.586 18329 3846 1 5 . 1 1 29 29 ASP N N 52 121.710 121.710 118.066 3.644 18329 3847 1 5 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.474 -0.004 18329 3848 1 5 . 1 1 29 29 ASP C C 52 178.500 178.500 177.779 0.721 18329 3849 1 5 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.449 0.551 18329 3850 1 5 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.254 0.746 18329 3851 1 5 . 1 1 29 29 ASP H H 52 8.340 8.340 7.916 0.424 18329 3852 1 5 . 1 1 30 30 ALA N N 53 121.990 121.990 121.546 0.444 18329 3853 1 5 . 1 1 30 30 ALA HA H 53 3.340 3.340 3.959 -0.619 18329 3854 1 5 . 1 1 30 30 ALA C C 53 179.500 179.500 179.465 0.035 18329 3855 1 5 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.279 0.821 18329 3856 1 5 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.414 -0.314 18329 3857 1 5 . 1 1 30 30 ALA H H 53 8.800 8.800 7.703 1.097 18329 3858 1 5 . 1 1 31 31 ALA N N 54 119.970 119.970 120.781 -0.811 18329 3859 1 5 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.067 0.083 18329 3860 1 5 . 1 1 31 31 ALA C C 54 181.600 181.600 178.591 3.009 18329 3861 1 5 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.224 0.476 18329 3862 1 5 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.230 -0.430 18329 3863 1 5 . 1 1 31 31 ALA H H 54 7.730 7.730 7.432 0.298 18329 3864 1 5 . 1 1 32 32 LEU N N 55 119.660 119.660 117.162 2.498 18329 3865 1 5 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.044 0.096 18329 3866 1 5 . 1 1 32 32 LEU C C 55 179.100 179.100 177.485 1.615 18329 3867 1 5 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.437 0.563 18329 3868 1 5 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.918 -0.018 18329 3869 1 5 . 1 1 32 32 LEU H H 55 7.660 7.660 7.248 0.412 18329 3870 1 5 . 1 1 33 33 LYS N N 56 117.160 117.160 117.092 0.068 18329 3871 1 5 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.461 -0.251 18329 3872 1 5 . 1 1 33 33 LYS C C 56 176.600 176.600 176.630 -0.030 18329 3873 1 5 . 1 1 33 33 LYS CA C 56 56.100 56.100 54.544 1.556 18329 3874 1 5 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.258 -0.058 18329 3875 1 5 . 1 1 33 33 LYS H H 56 7.610 7.610 7.400 0.210 18329 3876 1 5 . 1 1 34 34 GLY N N 57 108.680 108.680 111.253 -2.573 18329 3877 1 5 . 1 1 34 34 GLY C C 57 174.400 174.400 173.943 0.457 18329 3878 1 5 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.140 1.060 18329 3879 1 5 . 1 1 34 34 GLY H H 57 7.710 7.710 8.580 -0.870 18329 3880 1 5 . 1 1 35 35 VAL N N 58 121.000 121.000 122.903 -1.903 18329 3881 1 5 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.279 -0.379 18329 3882 1 5 . 1 1 35 35 VAL C C 58 174.200 174.200 175.474 -1.274 18329 3883 1 5 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.579 0.921 18329 3884 1 5 . 1 1 35 35 VAL CB C 58 32.800 32.800 33.283 -0.483 18329 3885 1 5 . 1 1 35 35 VAL H H 58 7.990 7.990 7.885 0.105 18329 3886 1 5 . 1 1 36 36 ASN N N 59 124.960 124.960 126.742 -1.782 18329 3887 1 5 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.653 0.017 18329 3888 1 5 . 1 1 36 36 ASN C C 59 175.700 175.700 175.279 0.421 18329 3889 1 5 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.646 -2.046 18329 3890 1 5 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.446 0.654 18329 3891 1 5 . 1 1 36 36 ASN H H 59 8.460 8.460 8.707 -0.247 18329 3892 1 5 . 1 1 37 37 PHE N N 60 124.460 124.460 124.662 -0.202 18329 3893 1 5 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.142 -0.002 18329 3894 1 5 . 1 1 37 37 PHE C C 60 177.000 177.000 176.021 0.979 18329 3895 1 5 . 1 1 37 37 PHE CA C 60 60.400 60.400 60.667 -0.267 18329 3896 1 5 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.616 -0.416 18329 3897 1 5 . 1 1 37 37 PHE H H 60 8.780 8.780 8.324 0.456 18329 3898 1 5 . 1 1 38 38 ASP N N 61 119.270 119.270 118.784 0.486 18329 3899 1 5 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.475 0.015 18329 3900 1 5 . 1 1 38 38 ASP C C 61 177.000 177.000 177.676 -0.676 18329 3901 1 5 . 1 1 38 38 ASP CA C 61 55.500 55.500 54.637 0.863 18329 3902 1 5 . 1 1 38 38 ASP CB C 61 40.000 40.000 41.067 -1.067 18329 3903 1 5 . 1 1 38 38 ASP H H 61 8.400 8.400 7.953 0.447 18329 3904 1 5 . 1 1 39 39 ALA N N 62 122.020 122.020 119.621 2.399 18329 3905 1 5 . 1 1 39 39 ALA HA H 62 4.200 4.200 3.988 0.212 18329 3906 1 5 . 1 1 39 39 ALA C C 62 178.300 178.300 177.390 0.910 18329 3907 1 5 . 1 1 39 39 ALA CA C 62 52.900 52.900 53.902 -1.002 18329 3908 1 5 . 1 1 39 39 ALA CB C 62 18.500 18.500 17.595 0.905 18329 3909 1 5 . 1 1 39 39 ALA H H 62 7.740 7.740 8.568 -0.828 18329 3910 1 5 . 1 1 40 40 PHE N N 63 116.940 116.940 121.852 -4.912 18329 3911 1 5 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.396 -0.016 18329 3912 1 5 . 1 1 40 40 PHE C C 63 176.100 176.100 174.849 1.251 18329 3913 1 5 . 1 1 40 40 PHE CA C 63 58.300 58.300 59.308 -1.008 18329 3914 1 5 . 1 1 40 40 PHE CB C 63 38.800 38.800 39.782 -0.982 18329 3915 1 5 . 1 1 40 40 PHE H H 63 7.730 7.730 8.161 -0.431 18329 3916 1 5 . 1 1 41 41 LYS N N 64 119.840 119.840 125.522 -5.682 18329 3917 1 5 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.191 0.029 18329 3918 1 5 . 1 1 41 41 LYS C C 64 176.100 176.100 174.782 1.318 18329 3919 1 5 . 1 1 41 41 LYS CA C 64 56.600 56.600 56.334 0.265 18329 3920 1 5 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.904 -1.004 18329 3921 1 5 . 1 1 41 41 LYS H H 64 7.650 7.650 7.436 0.214 18329 3922 1 5 . 1 1 42 42 ASP N N 65 120.770 120.770 117.798 2.972 18329 3923 1 5 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.344 0.226 18329 3924 1 5 . 1 1 42 42 ASP C C 65 176.100 176.100 174.979 1.121 18329 3925 1 5 . 1 1 42 42 ASP CA C 65 54.200 54.200 54.670 -0.470 18329 3926 1 5 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.534 -0.634 18329 3927 1 5 . 1 1 42 42 ASP H H 65 8.030 8.030 8.158 -0.128 18329 3928 1 5 . 1 1 43 43 LYS N N 66 122.070 122.070 121.582 0.488 18329 3929 1 5 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.137 0.143 18329 3930 1 5 . 1 1 43 43 LYS C C 66 176.800 176.800 176.291 0.509 18329 3931 1 5 . 1 1 43 43 LYS CA C 66 56.500 56.500 57.348 -0.848 18329 3932 1 5 . 1 1 43 43 LYS CB C 66 32.800 32.800 31.588 1.212 18329 3933 1 5 . 1 1 43 43 LYS H H 66 8.180 8.180 8.218 -0.038 18329 3934 1 5 . 1 1 44 44 LYS N N 67 122.170 122.170 124.263 -2.093 18329 3935 1 5 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.479 -0.129 18329 3936 1 5 . 1 1 44 44 LYS C C 67 177.000 177.000 177.143 -0.143 18329 3937 1 5 . 1 1 44 44 LYS CA C 67 56.600 56.600 55.326 1.274 18329 3938 1 5 . 1 1 44 44 LYS CB C 67 32.800 32.800 34.644 -1.844 18329 3939 1 5 . 1 1 44 44 LYS H H 67 8.460 8.460 7.956 0.504 18329 3940 1 5 . 1 1 45 45 THR N N 68 114.390 114.390 116.781 -2.391 18329 3941 1 5 . 1 1 45 45 THR HA H 68 4.330 4.330 4.150 0.180 18329 3942 1 5 . 1 1 45 45 THR C C 68 175.200 175.200 175.293 -0.093 18329 3943 1 5 . 1 1 45 45 THR CA C 68 62.000 62.000 63.888 -1.888 18329 3944 1 5 . 1 1 45 45 THR CB C 68 69.900 69.900 68.969 0.931 18329 3945 1 5 . 1 1 45 45 THR H H 68 8.120 8.120 8.643 -0.523 18329 3946 1 5 . 1 1 46 46 GLY N N 69 111.200 111.200 109.332 1.868 18329 3947 1 5 . 1 1 46 46 GLY CA C 69 45.200 45.200 44.623 0.577 18329 3948 1 5 . 1 1 46 46 GLY H H 69 8.450 8.450 7.978 0.472 18329 3949 1 5 . 1 1 47 47 SER CA C 70 58.400 58.400 59.046 -0.646 18329 3950 1 5 . 1 1 47 47 SER CB C 70 64.000 64.000 63.087 0.913 18329 3951 1 5 . 1 1 48 48 GLY N N 71 111.200 111.200 107.808 3.392 18329 3952 1 5 . 1 1 48 48 GLY CA C 71 45.000 45.000 45.748 -0.748 18329 3953 1 5 . 1 1 48 48 GLY H H 71 8.580 8.580 8.608 -0.028 18329 3954 1 5 . 1 1 49 49 VAL N N 72 118.910 118.910 120.416 -1.506 18329 3955 1 5 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.099 0.031 18329 3956 1 5 . 1 1 49 49 VAL C C 72 176.100 176.100 175.405 0.695 18329 3957 1 5 . 1 1 49 49 VAL CA C 72 62.100 62.100 62.222 -0.122 18329 3958 1 5 . 1 1 49 49 VAL CB C 72 32.500 32.500 32.160 0.341 18329 3959 1 5 . 1 1 49 49 VAL H H 72 7.860 7.860 7.625 0.235 18329 3960 1 5 . 1 1 50 50 SER N N 73 118.500 118.500 119.259 -0.759 18329 3961 1 5 . 1 1 50 50 SER C C 73 176.100 176.100 173.132 2.968 18329 3962 1 5 . 1 1 50 50 SER CA C 73 58.300 58.300 59.254 -0.954 18329 3963 1 5 . 1 1 50 50 SER CB C 73 63.800 63.800 63.657 0.143 18329 3964 1 5 . 1 1 50 50 SER H H 73 8.300 8.300 8.168 0.132 18329 3965 1 5 . 1 1 51 51 GLU N N 74 122.560 122.560 118.914 3.646 18329 3966 1 5 . 1 1 51 51 GLU HA H 74 4.270 4.270 3.942 0.328 18329 3967 1 5 . 1 1 51 51 GLU CA C 74 55.700 55.700 57.215 -1.515 18329 3968 1 5 . 1 1 51 51 GLU CB C 74 30.500 30.500 29.115 1.385 18329 3969 1 5 . 1 1 51 51 GLU H H 74 8.360 8.360 8.546 -0.186 18329 3970 1 5 . 1 1 52 52 ASN N N 75 122.830 122.830 120.879 1.951 18329 3971 1 5 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.473 0.347 18329 3972 1 5 . 1 1 52 52 ASN C C 75 174.800 174.800 175.313 -0.513 18329 3973 1 5 . 1 1 52 52 ASN CA C 75 51.400 51.400 53.672 -2.272 18329 3974 1 5 . 1 1 52 52 ASN CB C 75 39.200 39.200 38.780 0.420 18329 3975 1 5 . 1 1 52 52 ASN H H 75 8.450 8.450 8.472 -0.022 18329 3976 1 5 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.379 -0.199 18329 3977 1 5 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.051 1.149 18329 3978 1 5 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.808 0.192 18329 3979 1 5 . 1 1 54 54 PHE N N 77 118.060 118.060 120.369 -2.309 18329 3980 1 5 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.179 0.091 18329 3981 1 5 . 1 1 54 54 PHE C C 77 177.500 177.500 177.039 0.461 18329 3982 1 5 . 1 1 54 54 PHE CA C 77 61.500 61.500 62.107 -0.607 18329 3983 1 5 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.318 0.082 18329 3984 1 5 . 1 1 54 54 PHE H H 77 8.430 8.430 8.011 0.419 18329 3985 1 5 . 1 1 55 55 ILE N N 78 119.350 119.350 118.360 0.990 18329 3986 1 5 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.402 0.098 18329 3987 1 5 . 1 1 55 55 ILE C C 78 177.400 177.400 177.199 0.201 18329 3988 1 5 . 1 1 55 55 ILE CA C 78 63.500 63.500 64.482 -0.982 18329 3989 1 5 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.287 -0.287 18329 3990 1 5 . 1 1 55 55 ILE H H 78 7.540 7.540 7.427 0.113 18329 3991 1 5 . 1 1 56 56 LEU N N 79 118.450 118.450 119.603 -1.153 18329 3992 1 5 . 1 1 56 56 LEU HA H 79 4.150 4.150 3.680 0.470 18329 3993 1 5 . 1 1 56 56 LEU C C 79 179.200 179.200 179.056 0.144 18329 3994 1 5 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.395 -0.595 18329 3995 1 5 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.234 -0.134 18329 3996 1 5 . 1 1 56 56 LEU H H 79 7.260 7.260 7.729 -0.469 18329 3997 1 5 . 1 1 57 57 GLU N N 80 117.980 117.980 117.275 0.705 18329 3998 1 5 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.828 -0.178 18329 3999 1 5 . 1 1 57 57 GLU C C 80 178.700 178.700 178.802 -0.102 18329 4000 1 5 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.921 0.379 18329 4001 1 5 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.336 0.164 18329 4002 1 5 . 1 1 57 57 GLU H H 80 7.890 7.890 7.849 0.041 18329 4003 1 5 . 1 1 58 58 ALA N N 81 122.040 122.040 122.433 -0.393 18329 4004 1 5 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.893 -0.093 18329 4005 1 5 . 1 1 58 58 ALA C C 81 179.500 179.500 178.991 0.509 18329 4006 1 5 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.780 0.420 18329 4007 1 5 . 1 1 58 58 ALA CB C 81 18.800 18.800 17.940 0.860 18329 4008 1 5 . 1 1 58 58 ALA H H 81 8.400 8.400 7.484 0.916 18329 4009 1 5 . 1 1 59 59 LYS N N 82 116.000 116.000 117.870 -1.870 18329 4010 1 5 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.010 -0.160 18329 4011 1 5 . 1 1 59 59 LYS C C 82 180.300 180.300 178.631 1.669 18329 4012 1 5 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.232 1.868 18329 4013 1 5 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.471 -0.271 18329 4014 1 5 . 1 1 59 59 LYS H H 82 8.000 8.000 7.845 0.155 18329 4015 1 5 . 1 1 60 60 VAL N N 83 122.920 122.920 118.132 4.788 18329 4016 1 5 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.709 -0.379 18329 4017 1 5 . 1 1 60 60 VAL C C 83 178.300 178.300 178.659 -0.359 18329 4018 1 5 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.891 2.009 18329 4019 1 5 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.588 -0.388 18329 4020 1 5 . 1 1 60 60 VAL H H 83 8.110 8.110 7.394 0.716 18329 4021 1 5 . 1 1 61 61 ARG N N 84 121.770 121.770 120.030 1.740 18329 4022 1 5 . 1 1 61 61 ARG C C 84 179.500 179.500 178.276 1.224 18329 4023 1 5 . 1 1 61 61 ARG CA C 84 59.200 59.200 58.393 0.807 18329 4024 1 5 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.022 1.778 18329 4025 1 5 . 1 1 61 61 ARG H H 84 8.710 8.710 7.627 1.083 18329 4026 1 5 . 1 1 62 62 ALA N N 85 119.450 119.450 121.315 -1.865 18329 4027 1 5 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.173 -0.283 18329 4028 1 5 . 1 1 62 62 ALA C C 85 179.500 179.500 178.884 0.616 18329 4029 1 5 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.391 -0.391 18329 4030 1 5 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.409 0.591 18329 4031 1 5 . 1 1 62 62 ALA H H 85 8.700 8.700 7.458 1.242 18329 4032 1 5 . 1 1 63 63 THR N N 86 106.650 106.650 109.476 -2.826 18329 4033 1 5 . 1 1 63 63 THR HA H 86 3.970 3.970 4.084 -0.114 18329 4034 1 5 . 1 1 63 63 THR C C 86 177.700 177.700 176.585 1.115 18329 4035 1 5 . 1 1 63 63 THR CA C 86 66.000 66.000 65.260 0.740 18329 4036 1 5 . 1 1 63 63 THR CB C 86 68.200 68.200 68.514 -0.314 18329 4037 1 5 . 1 1 63 63 THR H H 86 8.150 8.150 7.726 0.424 18329 4038 1 5 . 1 1 64 64 THR N N 87 120.430 120.430 119.502 0.928 18329 4039 1 5 . 1 1 64 64 THR HA H 87 4.050 4.050 4.113 -0.063 18329 4040 1 5 . 1 1 64 64 THR C C 87 176.800 176.800 176.281 0.519 18329 4041 1 5 . 1 1 64 64 THR CA C 87 67.300 67.300 67.336 -0.036 18329 4042 1 5 . 1 1 64 64 THR CB C 87 68.600 68.600 68.505 0.095 18329 4043 1 5 . 1 1 64 64 THR H H 87 7.920 7.920 7.485 0.435 18329 4044 1 5 . 1 1 65 65 VAL N N 88 119.230 119.230 120.640 -1.410 18329 4045 1 5 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.740 0.240 18329 4046 1 5 . 1 1 65 65 VAL C C 88 178.500 178.500 177.609 0.891 18329 4047 1 5 . 1 1 65 65 VAL CA C 88 65.600 65.600 66.068 -0.468 18329 4048 1 5 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.273 0.427 18329 4049 1 5 . 1 1 65 65 VAL H H 88 7.380 7.380 7.405 -0.025 18329 4050 1 5 . 1 1 66 66 ALA N N 89 124.260 124.260 121.437 2.823 18329 4051 1 5 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.919 0.331 18329 4052 1 5 . 1 1 66 66 ALA C C 89 179.900 179.900 179.373 0.527 18329 4053 1 5 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.427 -0.527 18329 4054 1 5 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.167 1.333 18329 4055 1 5 . 1 1 66 66 ALA H H 89 8.390 8.390 7.622 0.768 18329 4056 1 5 . 1 1 67 67 GLU N N 90 120.180 120.180 117.947 2.233 18329 4057 1 5 . 1 1 67 67 GLU HA H 90 3.720 3.720 4.052 -0.332 18329 4058 1 5 . 1 1 67 67 GLU C C 90 177.600 177.600 179.222 -1.622 18329 4059 1 5 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.570 0.330 18329 4060 1 5 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.323 -1.023 18329 4061 1 5 . 1 1 67 67 GLU H H 90 8.520 8.520 8.065 0.455 18329 4062 1 5 . 1 1 68 68 LYS N N 91 116.340 116.340 118.382 -2.042 18329 4063 1 5 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.130 -0.170 18329 4064 1 5 . 1 1 68 68 LYS C C 91 179.200 179.200 179.018 0.182 18329 4065 1 5 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.263 1.537 18329 4066 1 5 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.161 -0.161 18329 4067 1 5 . 1 1 68 68 LYS H H 91 7.210 7.210 7.691 -0.481 18329 4068 1 5 . 1 1 69 69 PHE N N 92 120.990 120.990 121.131 -0.141 18329 4069 1 5 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.354 0.156 18329 4070 1 5 . 1 1 69 69 PHE C C 92 175.100 175.100 177.949 -2.849 18329 4071 1 5 . 1 1 69 69 PHE CA C 92 59.800 59.800 60.606 -0.806 18329 4072 1 5 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.540 -0.340 18329 4073 1 5 . 1 1 69 69 PHE H H 92 7.180 7.180 7.875 -0.695 18329 4074 1 5 . 1 1 70 70 VAL N N 93 120.330 120.330 118.162 2.168 18329 4075 1 5 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.493 -0.403 18329 4076 1 5 . 1 1 70 70 VAL C C 93 177.500 177.500 177.893 -0.393 18329 4077 1 5 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.047 0.853 18329 4078 1 5 . 1 1 70 70 VAL CB C 93 31.400 31.400 30.382 1.018 18329 4079 1 5 . 1 1 70 70 VAL H H 93 7.930 7.930 7.759 0.171 18329 4080 1 5 . 1 1 71 71 ILE N N 94 120.410 120.410 120.093 0.317 18329 4081 1 5 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.921 -0.091 18329 4082 1 5 . 1 1 71 71 ILE C C 94 177.700 177.700 177.822 -0.122 18329 4083 1 5 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.704 0.296 18329 4084 1 5 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.167 0.133 18329 4085 1 5 . 1 1 71 71 ILE H H 94 8.180 8.180 7.473 0.707 18329 4086 1 5 . 1 1 72 72 ALA N N 95 122.440 122.440 122.352 0.088 18329 4087 1 5 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.910 0.050 18329 4088 1 5 . 1 1 72 72 ALA C C 95 179.600 179.600 179.283 0.317 18329 4089 1 5 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.173 0.727 18329 4090 1 5 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.657 -0.457 18329 4091 1 5 . 1 1 72 72 ALA H H 95 7.340 7.340 7.940 -0.600 18329 4092 1 5 . 1 1 73 73 ILE N N 96 119.330 119.330 118.670 0.660 18329 4093 1 5 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.672 -0.232 18329 4094 1 5 . 1 1 73 73 ILE C C 96 177.400 177.400 177.980 -0.580 18329 4095 1 5 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.889 -1.089 18329 4096 1 5 . 1 1 73 73 ILE CB C 96 34.400 34.400 37.556 -3.156 18329 4097 1 5 . 1 1 73 73 ILE H H 96 7.820 7.820 7.378 0.442 18329 4098 1 5 . 1 1 74 74 GLU N N 97 118.440 118.440 119.498 -1.058 18329 4099 1 5 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.864 -0.174 18329 4100 1 5 . 1 1 74 74 GLU C C 97 180.500 180.500 178.963 1.537 18329 4101 1 5 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.775 -0.075 18329 4102 1 5 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.209 0.491 18329 4103 1 5 . 1 1 74 74 GLU H H 97 8.380 8.380 7.623 0.757 18329 4104 1 5 . 1 1 75 75 GLU N N 98 120.470 120.470 119.552 0.918 18329 4105 1 5 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.094 -0.154 18329 4106 1 5 . 1 1 75 75 GLU C C 98 180.600 180.600 178.905 1.695 18329 4107 1 5 . 1 1 75 75 GLU CA C 98 59.700 59.700 58.776 0.923 18329 4108 1 5 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.570 0.630 18329 4109 1 5 . 1 1 75 75 GLU H H 98 8.800 8.800 7.825 0.975 18329 4110 1 5 . 1 1 76 76 GLU N N 99 119.230 119.230 119.649 -0.419 18329 4111 1 5 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.067 0.073 18329 4112 1 5 . 1 1 76 76 GLU C C 99 178.900 178.900 178.988 -0.088 18329 4113 1 5 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.712 -0.112 18329 4114 1 5 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.565 -0.265 18329 4115 1 5 . 1 1 76 76 GLU H H 99 8.840 8.840 8.405 0.435 18329 4116 1 5 . 1 1 77 77 ALA N N 100 121.950 121.950 121.223 0.727 18329 4117 1 5 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.116 -0.116 18329 4118 1 5 . 1 1 77 77 ALA C C 100 179.000 179.000 179.228 -0.228 18329 4119 1 5 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.424 0.876 18329 4120 1 5 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.215 -1.415 18329 4121 1 5 . 1 1 77 77 ALA H H 100 9.400 9.400 8.459 0.941 18329 4122 1 5 . 1 1 78 78 THR N N 101 111.820 111.820 114.288 -2.468 18329 4123 1 5 . 1 1 78 78 THR HA H 101 3.750 3.750 4.077 -0.327 18329 4124 1 5 . 1 1 78 78 THR CA C 101 67.500 67.500 65.714 1.786 18329 4125 1 5 . 1 1 78 78 THR CB C 101 68.600 68.600 68.495 0.105 18329 4126 1 5 . 1 1 78 78 THR H H 101 7.770 7.770 7.484 0.286 18329 4127 1 5 . 1 1 79 79 LYS N N 102 122.940 122.940 120.127 2.813 18329 4128 1 5 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.124 -0.034 18329 4129 1 5 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.683 0.517 18329 4130 1 5 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.328 0.172 18329 4131 1 5 . 1 1 79 79 LYS H H 102 7.870 7.870 7.645 0.225 18329 4132 1 5 . 1 1 80 80 LEU N N 103 117.690 117.690 118.830 -1.140 18329 4133 1 5 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.164 0.326 18329 4134 1 5 . 1 1 80 80 LEU C C 103 178.140 178.140 177.219 0.921 18329 4135 1 5 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.940 -0.940 18329 4136 1 5 . 1 1 80 80 LEU CB C 103 43.100 43.100 41.930 1.170 18329 4137 1 5 . 1 1 80 80 LEU H H 103 7.550 7.550 7.899 -0.349 18329 4138 1 5 . 1 1 81 81 LYS N N 104 122.210 122.210 118.572 3.638 18329 4139 1 5 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.963 -0.033 18329 4140 1 5 . 1 1 81 81 LYS C C 104 178.000 178.000 177.139 0.861 18329 4141 1 5 . 1 1 81 81 LYS CA C 104 61.300 61.300 58.232 3.068 18329 4142 1 5 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.552 1.248 18329 4143 1 5 . 1 1 81 81 LYS H H 104 7.500 7.500 7.653 -0.153 18329 4144 1 5 . 1 1 82 82 GLU N N 105 114.920 114.920 121.256 -6.336 18329 4145 1 5 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.325 0.235 18329 4146 1 5 . 1 1 82 82 GLU C C 105 177.900 177.900 176.170 1.730 18329 4147 1 5 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.635 0.025 18329 4148 1 5 . 1 1 82 82 GLU CB C 105 30.400 30.400 27.375 3.025 18329 4149 1 5 . 1 1 82 82 GLU H H 105 8.780 8.780 8.547 0.233 18329 4150 1 5 . 1 1 83 83 THR N N 106 107.260 107.260 115.161 -7.901 18329 4151 1 5 . 1 1 83 83 THR HA H 106 4.550 4.550 4.458 0.092 18329 4152 1 5 . 1 1 83 83 THR C C 106 176.300 176.300 174.382 1.918 18329 4153 1 5 . 1 1 83 83 THR CA C 106 61.900 61.900 62.316 -0.415 18329 4154 1 5 . 1 1 83 83 THR CB C 106 70.400 70.400 69.483 0.917 18329 4155 1 5 . 1 1 83 83 THR H H 106 7.570 7.570 8.376 -0.806 18329 4156 1 5 . 1 1 84 84 GLY N N 107 112.110 112.110 109.765 2.345 18329 4157 1 5 . 1 1 84 84 GLY C C 107 172.800 172.800 174.368 -1.568 18329 4158 1 5 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.626 -0.225 18329 4159 1 5 . 1 1 84 84 GLY H H 107 9.000 9.000 8.262 0.738 18329 4160 1 5 . 1 1 85 85 SER N N 108 119.030 119.030 113.738 5.292 18329 4161 1 5 . 1 1 85 85 SER CA C 108 56.300 56.300 58.774 -2.474 18329 4162 1 5 . 1 1 85 85 SER CB C 108 66.300 66.300 62.797 3.503 18329 4163 1 5 . 1 1 85 85 SER H H 108 8.950 8.950 8.355 0.595 18329 4164 1 5 . 1 1 86 86 SER HA H 109 4.480 4.480 4.958 -0.478 18329 4165 1 5 . 1 1 86 86 SER C C 109 177.000 177.000 176.234 0.766 18329 4166 1 5 . 1 1 86 86 SER CA C 109 61.600 61.600 59.540 2.060 18329 4167 1 5 . 1 1 86 86 SER CB C 109 62.900 62.900 63.602 -0.702 18329 4168 1 5 . 1 1 87 87 GLY N N 110 108.100 108.100 109.962 -1.862 18329 4169 1 5 . 1 1 87 87 GLY C C 110 177.100 177.100 175.894 1.206 18329 4170 1 5 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.521 -0.321 18329 4171 1 5 . 1 1 87 87 GLY H H 110 8.480 8.480 8.434 0.046 18329 4172 1 5 . 1 1 88 88 GLU N N 111 123.040 123.040 122.236 0.804 18329 4173 1 5 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.057 -0.367 18329 4174 1 5 . 1 1 88 88 GLU C C 111 177.700 177.700 178.419 -0.719 18329 4175 1 5 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.995 0.505 18329 4176 1 5 . 1 1 88 88 GLU CB C 111 28.700 28.700 28.803 -0.103 18329 4177 1 5 . 1 1 88 88 GLU H H 111 7.560 7.560 8.846 -1.286 18329 4178 1 5 . 1 1 89 89 PHE N N 112 118.270 118.270 119.582 -1.312 18329 4179 1 5 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.233 0.187 18329 4180 1 5 . 1 1 89 89 PHE C C 112 178.600 178.600 177.870 0.730 18329 4181 1 5 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.099 0.001 18329 4182 1 5 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.660 -0.760 18329 4183 1 5 . 1 1 89 89 PHE H H 112 7.200 7.200 7.717 -0.517 18329 4184 1 5 . 1 1 90 90 SER N N 113 115.980 115.980 116.335 -0.355 18329 4185 1 5 . 1 1 90 90 SER HA H 113 4.290 4.290 4.103 0.187 18329 4186 1 5 . 1 1 90 90 SER C C 113 178.600 178.600 175.821 2.779 18329 4187 1 5 . 1 1 90 90 SER CA C 113 62.700 62.700 62.106 0.594 18329 4188 1 5 . 1 1 90 90 SER CB C 113 62.800 62.800 62.975 -0.175 18329 4189 1 5 . 1 1 90 90 SER H H 113 8.830 8.830 8.512 0.318 18329 4190 1 5 . 1 1 91 91 ALA N N 114 123.130 123.130 123.969 -0.839 18329 4191 1 5 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.299 0.081 18329 4192 1 5 . 1 1 91 91 ALA C C 114 181.300 181.300 179.453 1.847 18329 4193 1 5 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.767 -0.067 18329 4194 1 5 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.351 0.049 18329 4195 1 5 . 1 1 91 91 ALA H H 114 7.580 7.580 8.168 -0.588 18329 4196 1 5 . 1 1 92 92 MET N N 115 118.700 118.700 118.551 0.149 18329 4197 1 5 . 1 1 92 92 MET HA H 115 3.980 3.980 4.221 -0.241 18329 4198 1 5 . 1 1 92 92 MET C C 115 178.000 178.000 177.889 0.111 18329 4199 1 5 . 1 1 92 92 MET CA C 115 61.000 61.000 58.492 2.508 18329 4200 1 5 . 1 1 92 92 MET CB C 115 31.400 31.400 32.998 -1.598 18329 4201 1 5 . 1 1 92 92 MET H H 115 7.880 7.880 8.171 -0.291 18329 4202 1 5 . 1 1 93 93 TYR N N 116 119.200 119.200 120.666 -1.466 18329 4203 1 5 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.178 0.102 18329 4204 1 5 . 1 1 93 93 TYR C C 116 176.300 176.300 177.409 -1.109 18329 4205 1 5 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.455 0.645 18329 4206 1 5 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.492 -0.192 18329 4207 1 5 . 1 1 93 93 TYR H H 116 7.870 7.870 7.889 -0.019 18329 4208 1 5 . 1 1 94 94 ASP N N 117 120.210 120.210 119.603 0.607 18329 4209 1 5 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.517 -0.327 18329 4210 1 5 . 1 1 94 94 ASP C C 117 179.000 179.000 178.659 0.341 18329 4211 1 5 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.625 0.075 18329 4212 1 5 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.172 -0.172 18329 4213 1 5 . 1 1 94 94 ASP H H 117 8.720 8.720 8.542 0.178 18329 4214 1 5 . 1 1 95 95 LEU N N 118 118.420 118.420 120.173 -1.753 18329 4215 1 5 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.139 0.071 18329 4216 1 5 . 1 1 95 95 LEU C C 118 178.600 178.600 179.228 -0.628 18329 4217 1 5 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.385 0.315 18329 4218 1 5 . 1 1 95 95 LEU CB C 118 43.100 43.100 42.003 1.097 18329 4219 1 5 . 1 1 95 95 LEU H H 118 7.510 7.510 7.528 -0.018 18329 4220 1 5 . 1 1 96 96 MET N N 119 118.470 118.470 119.023 -0.553 18329 4221 1 5 . 1 1 96 96 MET HA H 119 3.990 3.990 4.103 -0.113 18329 4222 1 5 . 1 1 96 96 MET C C 119 177.500 177.500 178.210 -0.710 18329 4223 1 5 . 1 1 96 96 MET CA C 119 60.500 60.500 57.705 2.795 18329 4224 1 5 . 1 1 96 96 MET CB C 119 33.900 33.900 31.313 2.587 18329 4225 1 5 . 1 1 96 96 MET H H 119 7.820 7.820 7.524 0.296 18329 4226 1 5 . 1 1 97 97 PHE N N 120 119.580 119.580 120.046 -0.466 18329 4227 1 5 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.180 -0.370 18329 4228 1 5 . 1 1 97 97 PHE C C 120 178.800 178.800 177.688 1.112 18329 4229 1 5 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.428 0.371 18329 4230 1 5 . 1 1 97 97 PHE CB C 120 39.200 39.200 39.095 0.105 18329 4231 1 5 . 1 1 97 97 PHE H H 120 8.940 8.940 7.637 1.303 18329 4232 1 5 . 1 1 98 98 GLU N N 121 119.940 119.940 119.489 0.451 18329 4233 1 5 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.010 -0.130 18329 4234 1 5 . 1 1 98 98 GLU C C 121 180.800 180.800 178.304 2.496 18329 4235 1 5 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.353 0.447 18329 4236 1 5 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.688 -0.488 18329 4237 1 5 . 1 1 98 98 GLU H H 121 8.690 8.690 8.410 0.280 18329 4238 1 5 . 1 1 99 99 VAL N N 122 115.350 115.350 116.742 -1.392 18329 4239 1 5 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.739 0.001 18329 4240 1 5 . 1 1 99 99 VAL C C 122 176.500 176.500 176.978 -0.478 18329 4241 1 5 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.757 -0.257 18329 4242 1 5 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.913 -0.613 18329 4243 1 5 . 1 1 99 99 VAL H H 122 8.210 8.210 7.920 0.290 18329 4244 1 5 . 1 1 100 100 SER N N 123 115.450 115.450 114.859 0.591 18329 4245 1 5 . 1 1 100 100 SER HA H 123 4.270 4.270 4.096 0.174 18329 4246 1 5 . 1 1 100 100 SER C C 123 174.700 174.700 176.099 -1.399 18329 4247 1 5 . 1 1 100 100 SER CA C 123 62.000 62.000 61.133 0.867 18329 4248 1 5 . 1 1 100 100 SER H H 123 7.520 7.520 7.152 0.368 18329 4249 1 5 . 1 1 101 101 LYS N N 124 120.310 120.310 121.941 -1.631 18329 4250 1 5 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.099 -0.129 18329 4251 1 5 . 1 1 101 101 LYS C C 124 176.600 176.600 177.490 -0.890 18329 4252 1 5 . 1 1 101 101 LYS CA C 124 61.100 61.100 59.369 1.731 18329 4253 1 5 . 1 1 101 101 LYS CB C 124 28.500 28.500 29.927 -1.427 18329 4254 1 5 . 1 1 101 101 LYS H H 124 6.930 6.930 7.410 -0.480 18329 4255 1 5 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.174 0.086 18329 4256 1 5 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.694 -0.494 18329 4257 1 5 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.284 -0.684 18329 4258 1 5 . 1 1 103 103 LEU N N 126 116.020 116.020 116.398 -0.378 18329 4259 1 5 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.018 -0.138 18329 4260 1 5 . 1 1 103 103 LEU C C 126 177.900 177.900 178.815 -0.915 18329 4261 1 5 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.017 0.683 18329 4262 1 5 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.196 0.604 18329 4263 1 5 . 1 1 103 103 LEU H H 126 6.520 6.520 7.496 -0.976 18329 4264 1 5 . 1 1 104 104 GLN N N 127 120.500 120.500 119.937 0.563 18329 4265 1 5 . 1 1 104 104 GLN C C 127 180.600 180.600 177.763 2.837 18329 4266 1 5 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.598 -0.298 18329 4267 1 5 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.282 0.718 18329 4268 1 5 . 1 1 104 104 GLN H H 127 8.160 8.160 8.066 0.094 18329 4269 1 5 . 1 1 105 105 LYS N N 128 120.000 120.000 116.272 3.728 18329 4270 1 5 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.169 -0.119 18329 4271 1 5 . 1 1 105 105 LYS C C 128 177.100 177.100 177.662 -0.562 18329 4272 1 5 . 1 1 105 105 LYS CA C 128 58.500 58.500 57.324 1.176 18329 4273 1 5 . 1 1 105 105 LYS CB C 128 31.400 31.400 31.941 -0.541 18329 4274 1 5 . 1 1 105 105 LYS H H 128 7.810 7.810 7.855 -0.045 18329 4275 1 5 . 1 1 106 106 LEU N N 129 118.530 118.530 117.027 1.503 18329 4276 1 5 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.733 -0.763 18329 4277 1 5 . 1 1 106 106 LEU C C 129 175.200 175.200 176.999 -1.799 18329 4278 1 5 . 1 1 106 106 LEU CA C 129 54.500 54.500 55.385 -0.884 18329 4279 1 5 . 1 1 106 106 LEU CB C 129 42.400 42.400 44.394 -1.994 18329 4280 1 5 . 1 1 106 106 LEU H H 129 7.220 7.220 7.473 -0.253 18329 4281 1 5 . 1 1 107 107 GLY N N 130 101.490 101.490 105.456 -3.966 18329 4282 1 5 . 1 1 107 107 GLY C C 130 174.800 174.800 173.057 1.743 18329 4283 1 5 . 1 1 107 107 GLY CA C 130 45.100 45.100 45.354 -0.254 18329 4284 1 5 . 1 1 107 107 GLY H H 130 7.560 7.560 8.181 -0.621 18329 4285 1 5 . 1 1 108 108 ILE N N 131 121.340 121.340 122.762 -1.422 18329 4286 1 5 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.660 0.490 18329 4287 1 5 . 1 1 108 108 ILE C C 131 174.300 174.300 174.475 -0.175 18329 4288 1 5 . 1 1 108 108 ILE CA C 131 60.400 60.400 61.936 -1.536 18329 4289 1 5 . 1 1 108 108 ILE CB C 131 35.200 35.200 36.385 -1.185 18329 4290 1 5 . 1 1 108 108 ILE H H 131 7.290 7.290 8.406 -1.116 18329 4291 1 5 . 1 1 109 109 GLN N N 132 125.650 125.650 127.454 -1.804 18329 4292 1 5 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.357 -0.347 18329 4293 1 5 . 1 1 109 109 GLN C C 132 176.800 176.800 175.903 0.897 18329 4294 1 5 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.529 2.071 18329 4295 1 5 . 1 1 109 109 GLN CB C 132 29.000 29.000 31.047 -2.047 18329 4296 1 5 . 1 1 109 109 GLN H H 132 8.080 8.080 8.166 -0.086 18329 4297 1 5 . 1 1 110 110 GLU N N 133 114.890 114.890 119.844 -4.954 18329 4298 1 5 . 1 1 110 110 GLU HA H 133 4.150 4.150 3.998 0.152 18329 4299 1 5 . 1 1 110 110 GLU C C 133 177.100 177.100 176.192 0.908 18329 4300 1 5 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.517 -0.417 18329 4301 1 5 . 1 1 110 110 GLU CB C 133 27.300 27.300 27.765 -0.465 18329 4302 1 5 . 1 1 110 110 GLU H H 133 9.270 9.270 8.858 0.412 18329 4303 1 5 . 1 1 111 111 MET N N 134 121.210 121.210 119.874 1.336 18329 4304 1 5 . 1 1 111 111 MET HA H 134 4.350 4.350 4.183 0.167 18329 4305 1 5 . 1 1 111 111 MET C C 134 177.500 177.500 177.246 0.254 18329 4306 1 5 . 1 1 111 111 MET CA C 134 57.900 57.900 58.467 -0.567 18329 4307 1 5 . 1 1 111 111 MET CB C 134 33.300 33.300 32.220 1.080 18329 4308 1 5 . 1 1 111 111 MET H H 134 7.620 7.620 8.457 -0.837 18329 4309 1 5 . 1 1 112 112 THR N N 135 113.170 113.170 115.703 -2.533 18329 4310 1 5 . 1 1 112 112 THR HA H 135 3.920 3.920 4.044 -0.124 18329 4311 1 5 . 1 1 112 112 THR C C 135 176.400 176.400 176.273 0.127 18329 4312 1 5 . 1 1 112 112 THR CA C 135 65.900 65.900 66.372 -0.472 18329 4313 1 5 . 1 1 112 112 THR CB C 135 68.200 68.200 68.602 -0.402 18329 4314 1 5 . 1 1 112 112 THR H H 135 8.320 8.320 8.023 0.297 18329 4315 1 5 . 1 1 113 113 LYS N N 136 123.440 123.440 121.612 1.828 18329 4316 1 5 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.045 -0.115 18329 4317 1 5 . 1 1 113 113 LYS C C 136 177.600 177.600 179.262 -1.662 18329 4318 1 5 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.523 -1.224 18329 4319 1 5 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.395 -0.396 18329 4320 1 5 . 1 1 113 113 LYS H H 136 8.060 8.060 8.297 -0.237 18329 4321 1 5 . 1 1 114 114 THR N N 137 114.590 114.590 116.021 -1.431 18329 4322 1 5 . 1 1 114 114 THR HA H 137 4.000 4.000 3.965 0.035 18329 4323 1 5 . 1 1 114 114 THR C C 137 176.800 176.800 176.345 0.455 18329 4324 1 5 . 1 1 114 114 THR CA C 137 67.600 67.600 67.099 0.501 18329 4325 1 5 . 1 1 114 114 THR CB C 137 69.200 69.200 68.840 0.360 18329 4326 1 5 . 1 1 114 114 THR H H 137 7.950 7.950 7.849 0.101 18329 4327 1 5 . 1 1 115 115 VAL N N 138 119.080 119.080 120.233 -1.153 18329 4328 1 5 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.813 0.007 18329 4329 1 5 . 1 1 115 115 VAL C C 138 176.900 176.900 177.248 -0.348 18329 4330 1 5 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.348 1.452 18329 4331 1 5 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.945 0.555 18329 4332 1 5 . 1 1 115 115 VAL H H 138 7.320 7.320 7.569 -0.249 18329 4333 1 5 . 1 1 116 116 SER N N 139 116.630 116.630 115.008 1.622 18329 4334 1 5 . 1 1 116 116 SER HA H 139 4.680 4.680 4.428 0.252 18329 4335 1 5 . 1 1 116 116 SER C C 139 179.000 179.000 177.125 1.875 18329 4336 1 5 . 1 1 116 116 SER CA C 139 61.400 61.400 61.072 0.329 18329 4337 1 5 . 1 1 116 116 SER CB C 139 62.800 62.800 63.345 -0.545 18329 4338 1 5 . 1 1 116 116 SER H H 139 8.990 8.990 8.334 0.656 18329 4339 1 5 . 1 1 117 117 ASP N N 140 124.220 124.220 122.960 1.260 18329 4340 1 5 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.469 -0.109 18329 4341 1 5 . 1 1 117 117 ASP C C 140 179.900 179.900 177.448 2.452 18329 4342 1 5 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.265 1.035 18329 4343 1 5 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.670 -1.171 18329 4344 1 5 . 1 1 117 117 ASP H H 140 9.480 9.480 8.610 0.870 18329 4345 1 5 . 1 1 118 118 ALA N N 141 121.420 121.420 120.699 0.721 18329 4346 1 5 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.222 0.058 18329 4347 1 5 . 1 1 118 118 ALA C C 141 179.800 179.800 179.112 0.688 18329 4348 1 5 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.468 -0.068 18329 4349 1 5 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.409 0.591 18329 4350 1 5 . 1 1 118 118 ALA H H 141 7.340 7.340 7.512 -0.172 18329 4351 1 5 . 1 1 119 119 ALA N N 142 121.680 121.680 119.736 1.944 18329 4352 1 5 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.083 0.047 18329 4353 1 5 . 1 1 119 119 ALA C C 142 178.800 178.800 179.108 -0.308 18329 4354 1 5 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.379 -1.179 18329 4355 1 5 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.498 -0.198 18329 4356 1 5 . 1 1 119 119 ALA H H 142 7.890 7.890 7.504 0.386 18329 4357 1 5 . 1 1 120 120 GLU N N 143 117.690 117.690 117.410 0.280 18329 4358 1 5 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.043 -0.103 18329 4359 1 5 . 1 1 120 120 GLU C C 143 178.100 178.100 178.660 -0.560 18329 4360 1 5 . 1 1 120 120 GLU CA C 143 58.700 58.700 58.733 -0.033 18329 4361 1 5 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.197 0.303 18329 4362 1 5 . 1 1 120 120 GLU H H 143 7.500 7.500 7.781 -0.281 18329 4363 1 5 . 1 1 121 121 GLU N N 144 115.680 115.680 117.993 -2.313 18329 4364 1 5 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.146 0.014 18329 4365 1 5 . 1 1 121 121 GLU C C 144 176.100 176.100 176.973 -0.873 18329 4366 1 5 . 1 1 121 121 GLU CA C 144 56.900 56.900 58.270 -1.370 18329 4367 1 5 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.117 0.983 18329 4368 1 5 . 1 1 121 121 GLU H H 144 6.970 6.970 7.614 -0.644 18329 4369 1 5 . 1 1 122 122 ASN N N 145 117.750 117.750 116.001 1.749 18329 4370 1 5 . 1 1 122 122 ASN HA H 145 4.990 4.990 4.979 0.011 18329 4371 1 5 . 1 1 122 122 ASN C C 145 185.300 185.300 172.750 12.550 18329 4372 1 5 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.931 -0.731 18329 4373 1 5 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.319 1.781 18329 4374 1 5 . 1 1 122 122 ASN H H 145 7.670 7.670 7.567 0.103 18329 4375 1 5 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.519 0.111 18329 4376 1 5 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.143 -1.143 18329 4377 1 5 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.184 0.116 18329 4378 1 5 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.244 0.196 18329 4379 1 5 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.802 -0.902 18329 4380 1 5 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.883 -3.483 18329 4381 1 5 . 1 1 125 125 THR N N 148 106.090 106.090 114.357 -8.267 18329 4382 1 5 . 1 1 125 125 THR HA H 148 4.530 4.530 4.463 0.067 18329 4383 1 5 . 1 1 125 125 THR C C 148 174.300 174.300 173.630 0.670 18329 4384 1 5 . 1 1 125 125 THR CA C 148 61.200 61.200 60.748 0.452 18329 4385 1 5 . 1 1 125 125 THR CB C 148 68.600 68.600 69.492 -0.892 18329 4386 1 5 . 1 1 125 125 THR H H 148 7.800 7.800 8.062 -0.262 18329 4387 1 5 . 1 1 126 126 THR N N 149 108.650 108.650 111.945 -3.295 18329 4388 1 5 . 1 1 126 126 THR HA H 149 4.170 4.170 4.118 0.052 18329 4389 1 5 . 1 1 126 126 THR C C 149 173.100 173.100 173.005 0.095 18329 4390 1 5 . 1 1 126 126 THR CA C 149 58.800 58.800 60.150 -1.350 18329 4391 1 5 . 1 1 126 126 THR CB C 149 73.100 73.100 70.041 3.058 18329 4392 1 5 . 1 1 126 126 THR H H 149 7.350 7.350 7.122 0.228 18329 4393 1 5 . 1 1 127 127 ALA N N 150 123.270 123.270 123.465 -0.195 18329 4394 1 5 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.629 -0.609 18329 4395 1 5 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.096 -0.096 18329 4396 1 5 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.690 0.010 18329 4397 1 5 . 1 1 127 127 ALA H H 150 7.750 7.750 8.603 -0.853 18329 4398 1 5 . 1 1 128 128 GLN N N 151 114.920 114.920 118.672 -3.752 18329 4399 1 5 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.066 -0.316 18329 4400 1 5 . 1 1 128 128 GLN C C 151 178.400 178.400 178.011 0.389 18329 4401 1 5 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.763 0.037 18329 4402 1 5 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.333 -1.133 18329 4403 1 5 . 1 1 128 128 GLN H H 151 8.300 8.300 7.944 0.356 18329 4404 1 5 . 1 1 129 129 GLY N N 152 107.280 107.280 107.004 0.276 18329 4405 1 5 . 1 1 129 129 GLY C C 152 174.900 174.900 176.260 -1.360 18329 4406 1 5 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.815 0.385 18329 4407 1 5 . 1 1 129 129 GLY H H 152 7.920 7.920 8.123 -0.203 18329 4408 1 5 . 1 1 130 130 VAL N N 153 119.440 119.440 122.649 -3.209 18329 4409 1 5 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.559 -0.089 18329 4410 1 5 . 1 1 130 130 VAL C C 153 177.700 177.700 177.647 0.053 18329 4411 1 5 . 1 1 130 130 VAL CA C 153 67.800 67.800 66.274 1.526 18329 4412 1 5 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.839 -0.139 18329 4413 1 5 . 1 1 130 130 VAL H H 153 7.390 7.390 7.633 -0.243 18329 4414 1 5 . 1 1 131 131 LEU N N 154 118.990 118.990 118.963 0.027 18329 4415 1 5 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.853 0.057 18329 4416 1 5 . 1 1 131 131 LEU C C 154 180.400 180.400 178.699 1.701 18329 4417 1 5 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.167 0.133 18329 4418 1 5 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.409 -0.409 18329 4419 1 5 . 1 1 131 131 LEU H H 154 8.640 8.640 8.302 0.338 18329 4420 1 5 . 1 1 132 132 GLU N N 155 120.980 120.980 119.465 1.515 18329 4421 1 5 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.046 0.074 18329 4422 1 5 . 1 1 132 132 GLU C C 155 179.400 179.400 178.732 0.668 18329 4423 1 5 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.402 -0.502 18329 4424 1 5 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.069 0.131 18329 4425 1 5 . 1 1 132 132 GLU H H 155 8.000 8.000 7.478 0.522 18329 4426 1 5 . 1 1 133 133 ILE N N 156 121.830 121.830 120.426 1.404 18329 4427 1 5 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.747 -0.167 18329 4428 1 5 . 1 1 133 133 ILE C C 156 178.000 178.000 177.725 0.275 18329 4429 1 5 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.951 1.549 18329 4430 1 5 . 1 1 133 133 ILE CB C 156 39.600 39.600 37.531 2.069 18329 4431 1 5 . 1 1 133 133 ILE H H 156 8.040 8.040 7.385 0.655 18329 4432 1 5 . 1 1 134 134 ALA N N 157 121.470 121.470 122.078 -0.608 18329 4433 1 5 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.837 0.063 18329 4434 1 5 . 1 1 134 134 ALA C C 157 178.800 178.800 179.338 -0.538 18329 4435 1 5 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.656 -0.356 18329 4436 1 5 . 1 1 134 134 ALA CB C 157 18.100 18.100 17.844 0.256 18329 4437 1 5 . 1 1 134 134 ALA H H 157 8.950 8.950 8.417 0.533 18329 4438 1 5 . 1 1 135 135 LYS N N 158 118.470 118.470 118.663 -0.193 18329 4439 1 5 . 1 1 135 135 LYS HA H 158 3.910 3.910 4.034 -0.124 18329 4440 1 5 . 1 1 135 135 LYS C C 158 179.300 179.300 179.056 0.244 18329 4441 1 5 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.352 0.148 18329 4442 1 5 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.397 -0.997 18329 4443 1 5 . 1 1 135 135 LYS H H 158 8.000 8.000 7.738 0.262 18329 4444 1 5 . 1 1 136 136 LYS N N 159 118.000 118.000 119.185 -1.185 18329 4445 1 5 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.099 -0.049 18329 4446 1 5 . 1 1 136 136 LYS C C 159 180.200 180.200 179.506 0.694 18329 4447 1 5 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.264 0.236 18329 4448 1 5 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.319 -1.419 18329 4449 1 5 . 1 1 136 136 LYS H H 159 7.530 7.530 7.562 -0.032 18329 4450 1 5 . 1 1 137 137 MET N N 160 120.990 120.990 119.035 1.955 18329 4451 1 5 . 1 1 137 137 MET HA H 160 3.800 3.800 4.111 -0.311 18329 4452 1 5 . 1 1 137 137 MET C C 160 177.400 177.400 178.073 -0.673 18329 4453 1 5 . 1 1 137 137 MET CA C 160 60.600 60.600 59.770 0.830 18329 4454 1 5 . 1 1 137 137 MET CB C 160 31.800 31.800 32.458 -0.658 18329 4455 1 5 . 1 1 137 137 MET H H 160 8.660 8.660 8.434 0.226 18329 4456 1 5 . 1 1 138 138 ARG N N 161 119.480 119.480 120.160 -0.680 18329 4457 1 5 . 1 1 138 138 ARG HA H 161 3.800 3.800 4.197 -0.397 18329 4458 1 5 . 1 1 138 138 ARG C C 161 177.900 177.900 178.562 -0.662 18329 4459 1 5 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.365 1.235 18329 4460 1 5 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.274 -0.474 18329 4461 1 5 . 1 1 138 138 ARG H H 161 9.280 9.280 8.134 1.146 18329 4462 1 5 . 1 1 139 139 GLU N N 162 118.700 118.700 119.924 -1.224 18329 4463 1 5 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.255 -0.255 18329 4464 1 5 . 1 1 139 139 GLU C C 162 179.100 179.100 178.747 0.353 18329 4465 1 5 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.272 0.528 18329 4466 1 5 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.601 -0.101 18329 4467 1 5 . 1 1 139 139 GLU H H 162 8.430 8.430 8.373 0.057 18329 4468 1 5 . 1 1 140 140 LYS N N 163 119.310 119.310 119.338 -0.028 18329 4469 1 5 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.105 0.105 18329 4470 1 5 . 1 1 140 140 LYS C C 163 177.900 177.900 179.230 -1.330 18329 4471 1 5 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.560 0.340 18329 4472 1 5 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.217 -1.117 18329 4473 1 5 . 1 1 140 140 LYS H H 163 7.440 7.440 7.774 -0.334 18329 4474 1 5 . 1 1 141 141 LEU N N 164 117.630 117.630 119.155 -1.525 18329 4475 1 5 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.020 -0.130 18329 4476 1 5 . 1 1 141 141 LEU C C 164 178.700 178.700 178.914 -0.214 18329 4477 1 5 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.743 0.257 18329 4478 1 5 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.827 -0.327 18329 4479 1 5 . 1 1 141 141 LEU H H 164 8.180 8.180 7.703 0.477 18329 4480 1 5 . 1 1 142 142 GLN N N 165 117.710 117.710 117.952 -0.242 18329 4481 1 5 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.963 0.347 18329 4482 1 5 . 1 1 142 142 GLN C C 165 179.200 179.200 178.494 0.706 18329 4483 1 5 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.603 -1.103 18329 4484 1 5 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.488 -0.988 18329 4485 1 5 . 1 1 142 142 GLN H H 165 8.730 8.730 7.843 0.887 18329 4486 1 5 . 1 1 143 143 ARG N N 166 121.410 121.410 119.846 1.564 18329 4487 1 5 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.112 0.078 18329 4488 1 5 . 1 1 143 143 ARG C C 166 179.700 179.700 178.890 0.810 18329 4489 1 5 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.252 0.548 18329 4490 1 5 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.917 0.283 18329 4491 1 5 . 1 1 143 143 ARG H H 166 8.050 8.050 7.599 0.451 18329 4492 1 5 . 1 1 144 144 VAL N N 167 120.950 120.950 120.074 0.876 18329 4493 1 5 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.669 0.091 18329 4494 1 5 . 1 1 144 144 VAL C C 167 179.200 179.200 177.886 1.314 18329 4495 1 5 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.617 -0.216 18329 4496 1 5 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.584 0.516 18329 4497 1 5 . 1 1 144 144 VAL H H 167 8.190 8.190 7.516 0.674 18329 4498 1 5 . 1 1 145 145 HIS N N 168 123.520 123.520 118.770 4.750 18329 4499 1 5 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.512 -0.612 18329 4500 1 5 . 1 1 145 145 HIS C C 168 177.100 177.100 177.417 -0.317 18329 4501 1 5 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.431 1.869 18329 4502 1 5 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.255 -0.355 18329 4503 1 5 . 1 1 145 145 HIS H H 168 9.240 9.240 7.842 1.398 18329 4504 1 5 . 1 1 146 146 THR N N 169 115.020 115.020 117.154 -2.134 18329 4505 1 5 . 1 1 146 146 THR HA H 169 3.860 3.860 4.198 -0.338 18329 4506 1 5 . 1 1 146 146 THR C C 169 175.700 175.700 176.406 -0.706 18329 4507 1 5 . 1 1 146 146 THR CA C 169 67.200 67.200 67.087 0.113 18329 4508 1 5 . 1 1 146 146 THR CB C 169 69.300 69.300 68.499 0.801 18329 4509 1 5 . 1 1 146 146 THR H H 169 8.750 8.750 8.795 -0.045 18329 4510 1 5 . 1 1 147 147 LYS N N 170 120.300 120.300 120.028 0.272 18329 4511 1 5 . 1 1 147 147 LYS HA H 170 4.000 4.000 4.017 -0.017 18329 4512 1 5 . 1 1 147 147 LYS C C 170 179.300 179.300 178.921 0.379 18329 4513 1 5 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.495 -0.395 18329 4514 1 5 . 1 1 147 147 LYS CB C 170 31.800 31.800 31.851 -0.051 18329 4515 1 5 . 1 1 147 147 LYS H H 170 8.020 8.020 8.219 -0.199 18329 4516 1 5 . 1 1 148 148 ASN N N 171 117.600 117.600 117.972 -0.372 18329 4517 1 5 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.497 -0.177 18329 4518 1 5 . 1 1 148 148 ASN C C 171 175.400 175.400 177.275 -1.875 18329 4519 1 5 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.517 2.183 18329 4520 1 5 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.283 1.417 18329 4521 1 5 . 1 1 148 148 ASN H H 171 7.810 7.810 7.662 0.148 18329 4522 1 5 . 1 1 149 149 TYR N N 172 121.560 121.560 122.081 -0.521 18329 4523 1 5 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.130 -0.240 18329 4524 1 5 . 1 1 149 149 TYR C C 172 176.900 176.900 178.044 -1.144 18329 4525 1 5 . 1 1 149 149 TYR CA C 172 61.500 61.500 62.541 -1.041 18329 4526 1 5 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.678 0.242 18329 4527 1 5 . 1 1 149 149 TYR H H 172 9.020 9.020 7.839 1.181 18329 4528 1 5 . 1 1 150 150 CYS N N 173 116.050 116.050 117.121 -1.071 18329 4529 1 5 . 1 1 150 150 CYS C C 173 177.100 177.100 177.195 -0.095 18329 4530 1 5 . 1 1 150 150 CYS CA C 173 58.400 58.400 62.657 -4.257 18329 4531 1 5 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.290 12.310 18329 4532 1 5 . 1 1 150 150 CYS H H 173 8.810 8.810 8.322 0.488 18329 4533 1 5 . 1 1 151 151 THR N N 174 117.190 117.190 116.863 0.327 18329 4534 1 5 . 1 1 151 151 THR HA H 174 3.880 3.880 4.043 -0.163 18329 4535 1 5 . 1 1 151 151 THR C C 174 176.000 176.000 176.802 -0.802 18329 4536 1 5 . 1 1 151 151 THR CA C 174 66.900 66.900 66.635 0.266 18329 4537 1 5 . 1 1 151 151 THR CB C 174 68.500 68.500 68.529 -0.029 18329 4538 1 5 . 1 1 151 151 THR H H 174 7.720 7.720 8.234 -0.514 18329 4539 1 5 . 1 1 152 152 LEU N N 175 123.110 123.110 121.721 1.389 18329 4540 1 5 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.064 -0.254 18329 4541 1 5 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.716 0.284 18329 4542 1 5 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.971 -0.471 18329 4543 1 5 . 1 1 152 152 LEU H H 175 7.870 7.870 8.195 -0.325 18329 4544 1 5 . 1 1 153 153 LYS N N 176 117.270 117.270 117.487 -0.217 18329 4545 1 5 . 1 1 153 153 LYS HA H 176 3.700 3.700 4.026 -0.326 18329 4546 1 5 . 1 1 153 153 LYS C C 176 179.100 179.100 177.548 1.552 18329 4547 1 5 . 1 1 153 153 LYS CA C 176 56.700 56.700 57.354 -0.654 18329 4548 1 5 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.498 -1.598 18329 4549 1 5 . 1 1 153 153 LYS H H 176 7.900 7.900 7.606 0.294 18329 4550 1 5 . 1 1 154 154 LYS N N 177 119.290 119.290 118.462 0.828 18329 4551 1 5 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.024 0.236 18329 4552 1 5 . 1 1 154 154 LYS C C 177 178.100 178.100 178.269 -0.169 18329 4553 1 5 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.297 -1.497 18329 4554 1 5 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.644 0.156 18329 4555 1 5 . 1 1 154 154 LYS H H 177 7.540 7.540 7.691 -0.151 18329 4556 1 5 . 1 1 155 155 LYS N N 178 118.910 118.910 119.890 -0.980 18329 4557 1 5 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.067 -0.017 18329 4558 1 5 . 1 1 155 155 LYS C C 178 178.100 178.100 177.625 0.475 18329 4559 1 5 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.871 -0.871 18329 4560 1 5 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.333 -0.133 18329 4561 1 5 . 1 1 155 155 LYS H H 178 7.630 7.630 7.486 0.144 18329 4562 1 5 . 1 1 156 156 GLU N N 179 117.950 117.950 116.771 1.179 18329 4563 1 5 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.167 -0.057 18329 4564 1 5 . 1 1 156 156 GLU C C 179 176.700 176.700 178.902 -2.202 18329 4565 1 5 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.586 -1.086 18329 4566 1 5 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.825 -0.225 18329 4567 1 5 . 1 1 156 156 GLU H H 179 7.560 7.560 8.338 -0.778 18329 4568 1 5 . 1 1 157 157 ASN N N 180 116.590 116.590 115.697 0.893 18329 4569 1 5 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.535 0.185 18329 4570 1 5 . 1 1 157 157 ASN C C 180 175.000 175.000 175.605 -0.605 18329 4571 1 5 . 1 1 157 157 ASN CA C 180 52.700 52.700 54.559 -1.859 18329 4572 1 5 . 1 1 157 157 ASN CB C 180 38.800 38.800 39.042 -0.242 18329 4573 1 5 . 1 1 157 157 ASN H H 180 7.820 7.820 8.213 -0.393 18329 4574 1 5 . 1 1 158 158 SER HA H 181 4.450 4.450 4.140 0.310 18329 4575 1 5 . 1 1 158 158 SER CA C 181 60.400 60.400 60.176 0.224 18329 4576 1 5 . 1 1 158 158 SER CB C 181 63.500 63.500 62.021 1.479 18329 4577 1 5 . 1 1 158 158 SER H H 181 8.030 8.030 8.309 -0.279 18329 4578 1 5 . 1 1 159 159 THR N N 182 112.800 112.800 112.129 0.671 18329 4579 1 5 . 1 1 159 159 THR HA H 182 4.380 4.380 3.969 0.411 18329 4580 1 5 . 1 1 159 159 THR C C 182 174.300 174.300 173.971 0.329 18329 4581 1 5 . 1 1 159 159 THR CA C 182 61.800 61.800 63.445 -1.645 18329 4582 1 5 . 1 1 159 159 THR CB C 182 69.100 69.100 68.615 0.485 18329 4583 1 5 . 1 1 159 159 THR H H 182 8.070 8.070 8.243 -0.173 18329 4584 1 5 . 1 1 160 160 PHE N N 183 123.120 123.120 119.087 4.033 18329 4585 1 5 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.879 -0.439 18329 4586 1 5 . 1 1 160 160 PHE C C 183 175.100 175.100 175.939 -0.839 18329 4587 1 5 . 1 1 160 160 PHE CA C 183 58.900 58.900 56.153 2.747 18329 4588 1 5 . 1 1 160 160 PHE CB C 183 40.000 40.000 41.188 -1.188 18329 4589 1 5 . 1 1 160 160 PHE H H 183 7.900 7.900 7.510 0.390 18329 4590 1 5 . 1 1 161 161 THR N N 184 119.330 119.330 110.748 8.582 18329 4591 1 5 . 1 1 161 161 THR HA H 184 4.190 4.190 4.097 0.093 18329 4592 1 5 . 1 1 161 161 THR CA C 184 60.700 60.700 63.137 -2.437 18329 4593 1 5 . 1 1 161 161 THR CB C 184 70.700 70.700 68.382 2.318 18329 4594 1 5 . 1 1 161 161 THR H H 184 7.810 7.810 8.690 -0.880 18329 4595 1 5 . 1 1 162 162 ASP N N 185 123.190 123.190 118.155 5.035 18329 4596 1 5 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.670 -0.260 18329 4597 1 5 . 1 1 162 162 ASP C C 185 176.900 176.900 175.564 1.336 18329 4598 1 5 . 1 1 162 162 ASP CA C 185 53.900 53.900 53.556 0.344 18329 4599 1 5 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.720 2.280 18329 4600 1 5 . 1 1 162 162 ASP H H 185 8.000 8.000 8.445 -0.445 18329 4601 1 5 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.192 0.288 18329 4602 1 5 . 1 1 163 163 GLU CA C 186 58.800 58.800 56.906 1.894 18329 4603 1 5 . 1 1 163 163 GLU CB C 186 28.100 28.100 30.194 -2.094 18329 4604 1 5 . 1 1 166 166 LYS N N 189 118.150 118.150 121.787 -3.637 18329 4605 1 5 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.088 0.132 18329 4606 1 5 . 1 1 166 166 LYS C C 189 177.500 177.500 176.882 0.618 18329 4607 1 5 . 1 1 166 166 LYS CA C 189 58.000 58.000 58.330 -0.330 18329 4608 1 5 . 1 1 166 166 LYS CB C 189 32.600 32.600 32.705 -0.105 18329 4609 1 5 . 1 1 166 166 LYS H H 189 8.890 8.890 8.020 0.870 18329 4610 1 5 . 1 1 167 167 ASN N N 190 116.210 116.210 118.868 -2.658 18329 4611 1 5 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.659 0.301 18329 4612 1 5 . 1 1 167 167 ASN C C 190 174.900 174.900 175.093 -0.193 18329 4613 1 5 . 1 1 167 167 ASN CA C 190 52.900 52.900 52.915 -0.015 18329 4614 1 5 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.853 -0.453 18329 4615 1 5 . 1 1 167 167 ASN H H 190 8.030 8.030 8.394 -0.364 18329 4616 1 6 . 1 1 2 2 ALA N N 25 125.000 125.000 126.010 -1.010 18329 4617 1 6 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.533 -0.163 18329 4618 1 6 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.326 -0.026 18329 4619 1 6 . 1 1 2 2 ALA CB C 25 19.700 19.700 19.613 0.087 18329 4620 1 6 . 1 1 2 2 ALA H H 25 8.690 8.690 8.225 0.465 18329 4621 1 6 . 1 1 3 3 GLY N N 26 106.920 106.920 107.562 -0.642 18329 4622 1 6 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.538 -1.538 18329 4623 1 6 . 1 1 3 3 GLY H H 26 7.940 7.940 7.822 0.118 18329 4624 1 6 . 1 1 4 4 LEU N N 27 119.140 119.140 121.226 -2.086 18329 4625 1 6 . 1 1 4 4 LEU HA H 27 4.410 4.410 3.891 0.519 18329 4626 1 6 . 1 1 4 4 LEU C C 27 177.100 177.100 176.808 0.292 18329 4627 1 6 . 1 1 4 4 LEU CA C 27 54.400 54.400 54.754 -0.354 18329 4628 1 6 . 1 1 4 4 LEU CB C 27 42.100 42.100 40.592 1.508 18329 4629 1 6 . 1 1 4 4 LEU H H 27 8.210 8.210 8.380 -0.170 18329 4630 1 6 . 1 1 5 5 THR N N 28 112.940 112.940 109.458 3.482 18329 4631 1 6 . 1 1 5 5 THR HA H 28 4.650 4.650 4.130 0.520 18329 4632 1 6 . 1 1 5 5 THR C C 28 175.500 175.500 175.290 0.210 18329 4633 1 6 . 1 1 5 5 THR CA C 28 60.100 60.100 62.569 -2.469 18329 4634 1 6 . 1 1 5 5 THR CB C 28 72.600 72.600 69.452 3.148 18329 4635 1 6 . 1 1 5 5 THR H H 28 9.220 9.220 7.392 1.828 18329 4636 1 6 . 1 1 6 6 GLY N N 29 108.230 108.230 107.184 1.046 18329 4637 1 6 . 1 1 6 6 GLY C C 29 174.800 174.800 175.610 -0.810 18329 4638 1 6 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.110 1.890 18329 4639 1 6 . 1 1 6 6 GLY H H 29 8.520 8.520 8.259 0.261 18329 4640 1 6 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.093 -0.053 18329 4641 1 6 . 1 1 7 7 ALA CA C 30 54.800 54.800 54.264 0.536 18329 4642 1 6 . 1 1 7 7 ALA CB C 30 18.200 18.200 18.863 -0.663 18329 4643 1 6 . 1 1 8 8 THR N N 31 116.970 116.970 113.572 3.398 18329 4644 1 6 . 1 1 8 8 THR HA H 31 3.740 3.740 3.922 -0.182 18329 4645 1 6 . 1 1 8 8 THR C C 31 175.300 175.300 176.191 -0.891 18329 4646 1 6 . 1 1 8 8 THR CA C 31 67.000 67.000 65.718 1.282 18329 4647 1 6 . 1 1 8 8 THR CB C 31 68.700 68.700 68.422 0.278 18329 4648 1 6 . 1 1 8 8 THR H H 31 8.110 8.110 8.001 0.109 18329 4649 1 6 . 1 1 9 9 LYS N N 32 120.540 120.540 122.105 -1.565 18329 4650 1 6 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.098 -0.508 18329 4651 1 6 . 1 1 9 9 LYS C C 32 176.900 176.900 178.430 -1.530 18329 4652 1 6 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.457 0.343 18329 4653 1 6 . 1 1 9 9 LYS CB C 32 32.400 32.400 32.124 0.276 18329 4654 1 6 . 1 1 9 9 LYS H H 32 6.860 6.860 7.877 -1.017 18329 4655 1 6 . 1 1 10 10 ILE N N 33 115.940 115.940 119.559 -3.619 18329 4656 1 6 . 1 1 10 10 ILE HA H 33 3.710 3.710 4.076 -0.366 18329 4657 1 6 . 1 1 10 10 ILE C C 33 179.000 179.000 178.486 0.514 18329 4658 1 6 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.317 -0.317 18329 4659 1 6 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.651 0.349 18329 4660 1 6 . 1 1 10 10 ILE H H 33 7.380 7.380 7.444 -0.064 18329 4661 1 6 . 1 1 11 11 ARG N N 34 118.350 118.350 119.770 -1.420 18329 4662 1 6 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.096 -0.056 18329 4663 1 6 . 1 1 11 11 ARG C C 34 180.000 180.000 178.988 1.012 18329 4664 1 6 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.315 0.085 18329 4665 1 6 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.174 0.126 18329 4666 1 6 . 1 1 11 11 ARG H H 34 8.250 8.250 7.581 0.669 18329 4667 1 6 . 1 1 12 12 LEU N N 35 117.420 117.420 121.305 -3.885 18329 4668 1 6 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.176 -0.006 18329 4669 1 6 . 1 1 12 12 LEU C C 35 179.000 179.000 178.580 0.420 18329 4670 1 6 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.983 0.017 18329 4671 1 6 . 1 1 12 12 LEU CB C 35 40.800 40.800 42.086 -1.286 18329 4672 1 6 . 1 1 12 12 LEU H H 35 8.340 8.340 7.908 0.432 18329 4673 1 6 . 1 1 13 13 GLU N N 36 117.890 117.890 117.924 -0.034 18329 4674 1 6 . 1 1 13 13 GLU HA H 36 4.020 4.020 4.049 -0.029 18329 4675 1 6 . 1 1 13 13 GLU C C 36 180.100 180.100 178.933 1.167 18329 4676 1 6 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.049 1.151 18329 4677 1 6 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.209 -0.909 18329 4678 1 6 . 1 1 13 13 GLU H H 36 8.610 8.610 8.559 0.051 18329 4679 1 6 . 1 1 14 14 ARG N N 37 121.100 121.100 120.710 0.390 18329 4680 1 6 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.016 0.224 18329 4681 1 6 . 1 1 14 14 ARG C C 37 178.100 178.100 178.710 -0.610 18329 4682 1 6 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.515 -1.015 18329 4683 1 6 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.395 -0.195 18329 4684 1 6 . 1 1 14 14 ARG H H 37 7.980 7.980 8.544 -0.564 18329 4685 1 6 . 1 1 15 15 SER N N 38 115.420 115.420 114.212 1.208 18329 4686 1 6 . 1 1 15 15 SER HA H 38 4.380 4.380 4.482 -0.102 18329 4687 1 6 . 1 1 15 15 SER C C 38 177.300 177.300 175.393 1.907 18329 4688 1 6 . 1 1 15 15 SER CA C 38 62.200 62.200 60.800 1.400 18329 4689 1 6 . 1 1 15 15 SER CB C 38 63.200 63.200 63.140 0.060 18329 4690 1 6 . 1 1 15 15 SER H H 38 8.230 8.230 8.040 0.190 18329 4691 1 6 . 1 1 16 16 ALA N N 39 123.970 123.970 122.804 1.166 18329 4692 1 6 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.123 -0.493 18329 4693 1 6 . 1 1 16 16 ALA C C 39 179.500 179.500 179.358 0.142 18329 4694 1 6 . 1 1 16 16 ALA CA C 39 54.700 54.700 53.825 0.875 18329 4695 1 6 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.663 -0.663 18329 4696 1 6 . 1 1 16 16 ALA H H 39 8.280 8.280 7.280 1.000 18329 4697 1 6 . 1 1 17 17 LYS N N 40 121.690 121.690 120.057 1.633 18329 4698 1 6 . 1 1 17 17 LYS HA H 40 4.090 4.090 3.972 0.118 18329 4699 1 6 . 1 1 17 17 LYS C C 40 178.000 178.000 177.826 0.174 18329 4700 1 6 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.466 -1.066 18329 4701 1 6 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.390 -0.590 18329 4702 1 6 . 1 1 17 17 LYS H H 40 7.930 7.930 8.095 -0.165 18329 4703 1 6 . 1 1 18 18 ASP N N 41 118.730 118.730 117.757 0.973 18329 4704 1 6 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.454 -0.094 18329 4705 1 6 . 1 1 18 18 ASP C C 41 179.900 179.900 178.318 1.582 18329 4706 1 6 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.558 1.142 18329 4707 1 6 . 1 1 18 18 ASP CB C 41 39.600 39.600 39.656 -0.056 18329 4708 1 6 . 1 1 18 18 ASP H H 41 8.320 8.320 7.843 0.477 18329 4709 1 6 . 1 1 19 19 ILE N N 42 118.180 118.180 120.325 -2.145 18329 4710 1 6 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.700 -0.010 18329 4711 1 6 . 1 1 19 19 ILE C C 42 177.400 177.400 177.811 -0.411 18329 4712 1 6 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.126 0.074 18329 4713 1 6 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.673 0.227 18329 4714 1 6 . 1 1 19 19 ILE H H 42 7.420 7.420 7.477 -0.057 18329 4715 1 6 . 1 1 20 20 THR N N 43 113.360 113.360 112.818 0.542 18329 4716 1 6 . 1 1 20 20 THR HA H 43 3.770 3.770 4.013 -0.243 18329 4717 1 6 . 1 1 20 20 THR C C 43 177.800 177.800 176.290 1.510 18329 4718 1 6 . 1 1 20 20 THR CA C 43 66.400 66.400 65.649 0.751 18329 4719 1 6 . 1 1 20 20 THR CB C 43 67.400 67.400 68.138 -0.738 18329 4720 1 6 . 1 1 20 20 THR H H 43 7.610 7.610 7.619 -0.009 18329 4721 1 6 . 1 1 21 21 ASP N N 44 123.650 123.650 122.003 1.647 18329 4722 1 6 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.374 0.036 18329 4723 1 6 . 1 1 21 21 ASP C C 44 179.200 179.200 178.334 0.866 18329 4724 1 6 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.312 -0.112 18329 4725 1 6 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.726 -1.126 18329 4726 1 6 . 1 1 21 21 ASP H H 44 9.260 9.260 7.770 1.490 18329 4727 1 6 . 1 1 22 22 GLU N N 45 123.560 123.560 118.858 4.702 18329 4728 1 6 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.121 0.249 18329 4729 1 6 . 1 1 22 22 GLU C C 45 178.500 178.500 179.371 -0.871 18329 4730 1 6 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.858 -0.659 18329 4731 1 6 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.755 -0.555 18329 4732 1 6 . 1 1 22 22 GLU H H 45 7.750 7.750 8.037 -0.287 18329 4733 1 6 . 1 1 23 23 ILE N N 46 119.940 119.940 115.005 4.935 18329 4734 1 6 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.729 -0.109 18329 4735 1 6 . 1 1 23 23 ILE C C 46 177.600 177.600 177.327 0.273 18329 4736 1 6 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.397 1.202 18329 4737 1 6 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.348 -0.348 18329 4738 1 6 . 1 1 23 23 ILE H H 46 8.360 8.360 7.359 1.001 18329 4739 1 6 . 1 1 24 24 ASP N N 47 120.730 120.730 120.796 -0.066 18329 4740 1 6 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.274 0.126 18329 4741 1 6 . 1 1 24 24 ASP C C 47 178.900 178.900 177.751 1.149 18329 4742 1 6 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.363 0.137 18329 4743 1 6 . 1 1 24 24 ASP CB C 47 39.900 39.900 41.089 -1.189 18329 4744 1 6 . 1 1 24 24 ASP H H 47 8.280 8.280 8.142 0.138 18329 4745 1 6 . 1 1 25 25 ALA N N 48 123.870 123.870 121.466 2.404 18329 4746 1 6 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.085 0.035 18329 4747 1 6 . 1 1 25 25 ALA C C 48 180.400 180.400 179.712 0.688 18329 4748 1 6 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.665 0.835 18329 4749 1 6 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.291 -0.491 18329 4750 1 6 . 1 1 25 25 ALA H H 48 7.880 7.880 7.505 0.375 18329 4751 1 6 . 1 1 26 26 ILE N N 49 121.970 121.970 118.261 3.709 18329 4752 1 6 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.618 0.112 18329 4753 1 6 . 1 1 26 26 ILE C C 49 178.400 178.400 177.424 0.976 18329 4754 1 6 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.936 0.964 18329 4755 1 6 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.739 -0.239 18329 4756 1 6 . 1 1 26 26 ILE H H 49 8.710 8.710 7.246 1.464 18329 4757 1 6 . 1 1 27 27 LYS N N 50 119.820 119.820 118.729 1.091 18329 4758 1 6 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.445 0.435 18329 4759 1 6 . 1 1 27 27 LYS C C 50 179.900 179.900 178.464 1.436 18329 4760 1 6 . 1 1 27 27 LYS CA C 50 60.400 60.400 58.734 1.666 18329 4761 1 6 . 1 1 27 27 LYS CB C 50 31.900 31.900 30.686 1.214 18329 4762 1 6 . 1 1 27 27 LYS H H 50 8.540 8.540 8.005 0.535 18329 4763 1 6 . 1 1 28 28 LYS N N 51 121.960 121.960 118.799 3.161 18329 4764 1 6 . 1 1 28 28 LYS HA H 51 4.090 4.090 3.912 0.178 18329 4765 1 6 . 1 1 28 28 LYS C C 51 179.200 179.200 178.689 0.511 18329 4766 1 6 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.372 -0.072 18329 4767 1 6 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.104 -0.704 18329 4768 1 6 . 1 1 28 28 LYS H H 51 8.070 8.070 7.358 0.712 18329 4769 1 6 . 1 1 29 29 ASP N N 52 121.710 121.710 119.148 2.562 18329 4770 1 6 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.470 0.000 18329 4771 1 6 . 1 1 29 29 ASP C C 52 178.500 178.500 177.942 0.558 18329 4772 1 6 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.866 0.134 18329 4773 1 6 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.770 0.230 18329 4774 1 6 . 1 1 29 29 ASP H H 52 8.340 8.340 7.512 0.828 18329 4775 1 6 . 1 1 30 30 ALA N N 53 121.990 121.990 121.116 0.874 18329 4776 1 6 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.248 -0.908 18329 4777 1 6 . 1 1 30 30 ALA C C 53 179.500 179.500 179.101 0.399 18329 4778 1 6 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.748 0.352 18329 4779 1 6 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.792 -0.692 18329 4780 1 6 . 1 1 30 30 ALA H H 53 8.800 8.800 7.760 1.040 18329 4781 1 6 . 1 1 31 31 ALA N N 54 119.970 119.970 119.657 0.313 18329 4782 1 6 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.108 0.042 18329 4783 1 6 . 1 1 31 31 ALA C C 54 181.600 181.600 179.355 2.245 18329 4784 1 6 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.057 0.643 18329 4785 1 6 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.778 -0.978 18329 4786 1 6 . 1 1 31 31 ALA H H 54 7.730 7.730 7.422 0.308 18329 4787 1 6 . 1 1 32 32 LEU N N 55 119.660 119.660 117.291 2.369 18329 4788 1 6 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.019 0.121 18329 4789 1 6 . 1 1 32 32 LEU C C 55 179.100 179.100 178.228 0.872 18329 4790 1 6 . 1 1 32 32 LEU CA C 55 57.000 57.000 57.034 -0.034 18329 4791 1 6 . 1 1 32 32 LEU CB C 55 41.900 41.900 42.258 -0.358 18329 4792 1 6 . 1 1 32 32 LEU H H 55 7.660 7.660 7.589 0.071 18329 4793 1 6 . 1 1 33 33 LYS N N 56 117.160 117.160 111.273 5.887 18329 4794 1 6 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.361 -0.151 18329 4795 1 6 . 1 1 33 33 LYS C C 56 176.600 176.600 176.990 -0.390 18329 4796 1 6 . 1 1 33 33 LYS CA C 56 56.100 56.100 56.502 -0.403 18329 4797 1 6 . 1 1 33 33 LYS CB C 56 33.200 33.200 32.811 0.389 18329 4798 1 6 . 1 1 33 33 LYS H H 56 7.610 7.610 7.526 0.084 18329 4799 1 6 . 1 1 34 34 GLY N N 57 108.680 108.680 111.320 -2.640 18329 4800 1 6 . 1 1 34 34 GLY C C 57 174.400 174.400 173.925 0.475 18329 4801 1 6 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.211 0.989 18329 4802 1 6 . 1 1 34 34 GLY H H 57 7.710 7.710 7.710 -0.000 18329 4803 1 6 . 1 1 35 35 VAL N N 58 121.000 121.000 120.350 0.650 18329 4804 1 6 . 1 1 35 35 VAL HA H 58 3.900 3.900 3.577 0.323 18329 4805 1 6 . 1 1 35 35 VAL C C 58 174.200 174.200 174.820 -0.620 18329 4806 1 6 . 1 1 35 35 VAL CA C 58 61.500 61.500 63.530 -2.030 18329 4807 1 6 . 1 1 35 35 VAL CB C 58 32.800 32.800 32.181 0.619 18329 4808 1 6 . 1 1 35 35 VAL H H 58 7.990 7.990 8.145 -0.155 18329 4809 1 6 . 1 1 36 36 ASN N N 59 124.960 124.960 119.548 5.412 18329 4810 1 6 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.688 -0.018 18329 4811 1 6 . 1 1 36 36 ASN C C 59 175.700 175.700 175.111 0.589 18329 4812 1 6 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.250 -1.650 18329 4813 1 6 . 1 1 36 36 ASN CB C 59 39.100 39.100 39.081 0.019 18329 4814 1 6 . 1 1 36 36 ASN H H 59 8.460 8.460 8.336 0.124 18329 4815 1 6 . 1 1 37 37 PHE N N 60 124.460 124.460 122.010 2.450 18329 4816 1 6 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.442 -0.302 18329 4817 1 6 . 1 1 37 37 PHE C C 60 177.000 177.000 176.344 0.656 18329 4818 1 6 . 1 1 37 37 PHE CA C 60 60.400 60.400 59.009 1.391 18329 4819 1 6 . 1 1 37 37 PHE CB C 60 39.200 39.200 40.719 -1.519 18329 4820 1 6 . 1 1 37 37 PHE H H 60 8.780 8.780 8.260 0.520 18329 4821 1 6 . 1 1 38 38 ASP N N 61 119.270 119.270 119.113 0.157 18329 4822 1 6 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.072 0.418 18329 4823 1 6 . 1 1 38 38 ASP C C 61 177.000 177.000 176.086 0.914 18329 4824 1 6 . 1 1 38 38 ASP CA C 61 55.500 55.500 55.570 -0.070 18329 4825 1 6 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.490 -0.491 18329 4826 1 6 . 1 1 38 38 ASP H H 61 8.400 8.400 7.276 1.124 18329 4827 1 6 . 1 1 39 39 ALA N N 62 122.020 122.020 123.583 -1.563 18329 4828 1 6 . 1 1 39 39 ALA HA H 62 4.200 4.200 3.988 0.212 18329 4829 1 6 . 1 1 39 39 ALA C C 62 178.300 178.300 176.922 1.378 18329 4830 1 6 . 1 1 39 39 ALA CA C 62 52.900 52.900 53.325 -0.425 18329 4831 1 6 . 1 1 39 39 ALA CB C 62 18.500 18.500 17.761 0.739 18329 4832 1 6 . 1 1 39 39 ALA H H 62 7.740 7.740 8.304 -0.564 18329 4833 1 6 . 1 1 40 40 PHE N N 63 116.940 116.940 118.606 -1.666 18329 4834 1 6 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.214 0.166 18329 4835 1 6 . 1 1 40 40 PHE C C 63 176.100 176.100 174.928 1.172 18329 4836 1 6 . 1 1 40 40 PHE CA C 63 58.300 58.300 58.275 0.025 18329 4837 1 6 . 1 1 40 40 PHE CB C 63 38.800 38.800 38.808 -0.008 18329 4838 1 6 . 1 1 40 40 PHE H H 63 7.730 7.730 8.255 -0.525 18329 4839 1 6 . 1 1 41 41 LYS N N 64 119.840 119.840 124.195 -4.355 18329 4840 1 6 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.571 -0.351 18329 4841 1 6 . 1 1 41 41 LYS C C 64 176.100 176.100 176.313 -0.213 18329 4842 1 6 . 1 1 41 41 LYS CA C 64 56.600 56.600 55.968 0.632 18329 4843 1 6 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.510 -0.610 18329 4844 1 6 . 1 1 41 41 LYS H H 64 7.650 7.650 7.613 0.037 18329 4845 1 6 . 1 1 42 42 ASP N N 65 120.770 120.770 119.192 1.578 18329 4846 1 6 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.571 -0.001 18329 4847 1 6 . 1 1 42 42 ASP C C 65 176.100 176.100 176.463 -0.363 18329 4848 1 6 . 1 1 42 42 ASP CA C 65 54.200 54.200 56.068 -1.868 18329 4849 1 6 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.020 -0.120 18329 4850 1 6 . 1 1 42 42 ASP H H 65 8.030 8.030 8.414 -0.384 18329 4851 1 6 . 1 1 43 43 LYS N N 66 122.070 122.070 118.789 3.281 18329 4852 1 6 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.131 0.149 18329 4853 1 6 . 1 1 43 43 LYS C C 66 176.800 176.800 176.917 -0.117 18329 4854 1 6 . 1 1 43 43 LYS CA C 66 56.500 56.500 57.202 -0.702 18329 4855 1 6 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.730 0.070 18329 4856 1 6 . 1 1 43 43 LYS H H 66 8.180 8.180 7.953 0.227 18329 4857 1 6 . 1 1 44 44 LYS N N 67 122.170 122.170 118.793 3.377 18329 4858 1 6 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.112 0.238 18329 4859 1 6 . 1 1 44 44 LYS C C 67 177.000 177.000 176.145 0.855 18329 4860 1 6 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.979 -0.379 18329 4861 1 6 . 1 1 44 44 LYS CB C 67 32.800 32.800 31.963 0.837 18329 4862 1 6 . 1 1 44 44 LYS H H 67 8.460 8.460 7.802 0.658 18329 4863 1 6 . 1 1 45 45 THR N N 68 114.390 114.390 117.250 -2.860 18329 4864 1 6 . 1 1 45 45 THR HA H 68 4.330 4.330 4.544 -0.214 18329 4865 1 6 . 1 1 45 45 THR C C 68 175.200 175.200 175.573 -0.373 18329 4866 1 6 . 1 1 45 45 THR CA C 68 62.000 62.000 62.536 -0.536 18329 4867 1 6 . 1 1 45 45 THR CB C 68 69.900 69.900 69.249 0.651 18329 4868 1 6 . 1 1 45 45 THR H H 68 8.120 8.120 8.187 -0.067 18329 4869 1 6 . 1 1 46 46 GLY N N 69 111.200 111.200 110.922 0.278 18329 4870 1 6 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.340 -0.140 18329 4871 1 6 . 1 1 46 46 GLY H H 69 8.450 8.450 7.669 0.781 18329 4872 1 6 . 1 1 47 47 SER CA C 70 58.400 58.400 58.337 0.063 18329 4873 1 6 . 1 1 47 47 SER CB C 70 64.000 64.000 63.612 0.388 18329 4874 1 6 . 1 1 48 48 GLY N N 71 111.200 111.200 112.477 -1.277 18329 4875 1 6 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.306 -1.306 18329 4876 1 6 . 1 1 48 48 GLY H H 71 8.580 8.580 8.923 -0.343 18329 4877 1 6 . 1 1 49 49 VAL N N 72 118.910 118.910 119.980 -1.070 18329 4878 1 6 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.518 -0.388 18329 4879 1 6 . 1 1 49 49 VAL C C 72 176.100 176.100 174.070 2.030 18329 4880 1 6 . 1 1 49 49 VAL CA C 72 62.100 62.100 59.759 2.341 18329 4881 1 6 . 1 1 49 49 VAL CB C 72 32.500 32.500 31.618 0.882 18329 4882 1 6 . 1 1 49 49 VAL H H 72 7.860 7.860 7.868 -0.008 18329 4883 1 6 . 1 1 50 50 SER N N 73 118.500 118.500 122.992 -4.492 18329 4884 1 6 . 1 1 50 50 SER C C 73 176.100 176.100 174.636 1.464 18329 4885 1 6 . 1 1 50 50 SER CA C 73 58.300 58.300 57.901 0.399 18329 4886 1 6 . 1 1 50 50 SER CB C 73 63.800 63.800 63.737 0.062 18329 4887 1 6 . 1 1 50 50 SER H H 73 8.300 8.300 8.577 -0.277 18329 4888 1 6 . 1 1 51 51 GLU N N 74 122.560 122.560 124.335 -1.775 18329 4889 1 6 . 1 1 51 51 GLU HA H 74 4.270 4.270 3.906 0.364 18329 4890 1 6 . 1 1 51 51 GLU CA C 74 55.700 55.700 58.976 -3.276 18329 4891 1 6 . 1 1 51 51 GLU CB C 74 30.500 30.500 28.460 2.040 18329 4892 1 6 . 1 1 51 51 GLU H H 74 8.360 8.360 9.013 -0.653 18329 4893 1 6 . 1 1 52 52 ASN N N 75 122.830 122.830 119.986 2.844 18329 4894 1 6 . 1 1 52 52 ASN HA H 75 4.820 4.820 5.156 -0.336 18329 4895 1 6 . 1 1 52 52 ASN C C 75 174.800 174.800 173.764 1.036 18329 4896 1 6 . 1 1 52 52 ASN CA C 75 51.400 51.400 50.912 0.488 18329 4897 1 6 . 1 1 52 52 ASN CB C 75 39.200 39.200 39.051 0.149 18329 4898 1 6 . 1 1 52 52 ASN H H 75 8.450 8.450 8.176 0.274 18329 4899 1 6 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.734 -0.554 18329 4900 1 6 . 1 1 53 53 PRO CA C 76 65.200 65.200 63.935 1.265 18329 4901 1 6 . 1 1 53 53 PRO CB C 76 32.000 32.000 32.241 -0.241 18329 4902 1 6 . 1 1 54 54 PHE N N 77 118.060 118.060 120.429 -2.369 18329 4903 1 6 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.295 -0.025 18329 4904 1 6 . 1 1 54 54 PHE C C 77 177.500 177.500 177.358 0.142 18329 4905 1 6 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.396 0.104 18329 4906 1 6 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.318 0.082 18329 4907 1 6 . 1 1 54 54 PHE H H 77 8.430 8.430 8.012 0.418 18329 4908 1 6 . 1 1 55 55 ILE N N 78 119.350 119.350 118.906 0.444 18329 4909 1 6 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.905 -0.405 18329 4910 1 6 . 1 1 55 55 ILE C C 78 177.400 177.400 176.886 0.514 18329 4911 1 6 . 1 1 55 55 ILE CA C 78 63.500 63.500 63.489 0.011 18329 4912 1 6 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.972 -0.972 18329 4913 1 6 . 1 1 55 55 ILE H H 78 7.540 7.540 7.761 -0.221 18329 4914 1 6 . 1 1 56 56 LEU N N 79 118.450 118.450 120.165 -1.715 18329 4915 1 6 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.164 -0.014 18329 4916 1 6 . 1 1 56 56 LEU C C 79 179.200 179.200 178.711 0.489 18329 4917 1 6 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.095 -0.295 18329 4918 1 6 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.724 -0.624 18329 4919 1 6 . 1 1 56 56 LEU H H 79 7.260 7.260 7.575 -0.315 18329 4920 1 6 . 1 1 57 57 GLU N N 80 117.980 117.980 118.159 -0.179 18329 4921 1 6 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.843 -0.193 18329 4922 1 6 . 1 1 57 57 GLU C C 80 178.700 178.700 178.473 0.227 18329 4923 1 6 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.864 0.436 18329 4924 1 6 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.175 0.325 18329 4925 1 6 . 1 1 57 57 GLU H H 80 7.890 7.890 7.697 0.193 18329 4926 1 6 . 1 1 58 58 ALA N N 81 122.040 122.040 122.024 0.016 18329 4927 1 6 . 1 1 58 58 ALA HA H 81 3.800 3.800 4.032 -0.232 18329 4928 1 6 . 1 1 58 58 ALA C C 81 179.500 179.500 179.186 0.314 18329 4929 1 6 . 1 1 58 58 ALA CA C 81 55.200 55.200 55.288 -0.088 18329 4930 1 6 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.270 0.530 18329 4931 1 6 . 1 1 58 58 ALA H H 81 8.400 8.400 7.575 0.825 18329 4932 1 6 . 1 1 59 59 LYS N N 82 116.000 116.000 118.402 -2.402 18329 4933 1 6 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.075 -0.225 18329 4934 1 6 . 1 1 59 59 LYS C C 82 180.300 180.300 178.553 1.747 18329 4935 1 6 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.322 1.778 18329 4936 1 6 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.145 0.055 18329 4937 1 6 . 1 1 59 59 LYS H H 82 8.000 8.000 7.850 0.150 18329 4938 1 6 . 1 1 60 60 VAL N N 83 122.920 122.920 116.850 6.070 18329 4939 1 6 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.809 -0.479 18329 4940 1 6 . 1 1 60 60 VAL C C 83 178.300 178.300 178.546 -0.246 18329 4941 1 6 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.681 2.219 18329 4942 1 6 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.375 -0.174 18329 4943 1 6 . 1 1 60 60 VAL H H 83 8.110 8.110 7.136 0.974 18329 4944 1 6 . 1 1 61 61 ARG N N 84 121.770 121.770 119.468 2.302 18329 4945 1 6 . 1 1 61 61 ARG C C 84 179.500 179.500 178.539 0.961 18329 4946 1 6 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.074 0.126 18329 4947 1 6 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.995 0.805 18329 4948 1 6 . 1 1 61 61 ARG H H 84 8.710 8.710 7.498 1.212 18329 4949 1 6 . 1 1 62 62 ALA N N 85 119.450 119.450 121.343 -1.893 18329 4950 1 6 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.062 -0.172 18329 4951 1 6 . 1 1 62 62 ALA C C 85 179.500 179.500 178.931 0.569 18329 4952 1 6 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.564 -0.564 18329 4953 1 6 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.397 0.603 18329 4954 1 6 . 1 1 62 62 ALA H H 85 8.700 8.700 8.132 0.568 18329 4955 1 6 . 1 1 63 63 THR N N 86 106.650 106.650 109.526 -2.876 18329 4956 1 6 . 1 1 63 63 THR HA H 86 3.970 3.970 4.072 -0.102 18329 4957 1 6 . 1 1 63 63 THR C C 86 177.700 177.700 176.563 1.137 18329 4958 1 6 . 1 1 63 63 THR CA C 86 66.000 66.000 65.158 0.842 18329 4959 1 6 . 1 1 63 63 THR CB C 86 68.200 68.200 68.659 -0.459 18329 4960 1 6 . 1 1 63 63 THR H H 86 8.150 8.150 7.642 0.508 18329 4961 1 6 . 1 1 64 64 THR N N 87 120.430 120.430 119.890 0.540 18329 4962 1 6 . 1 1 64 64 THR HA H 87 4.050 4.050 3.989 0.061 18329 4963 1 6 . 1 1 64 64 THR C C 87 176.800 176.800 176.285 0.515 18329 4964 1 6 . 1 1 64 64 THR CA C 87 67.300 67.300 66.762 0.538 18329 4965 1 6 . 1 1 64 64 THR CB C 87 68.600 68.600 68.812 -0.212 18329 4966 1 6 . 1 1 64 64 THR H H 87 7.920 7.920 7.455 0.465 18329 4967 1 6 . 1 1 65 65 VAL N N 88 119.230 119.230 120.148 -0.918 18329 4968 1 6 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.765 0.215 18329 4969 1 6 . 1 1 65 65 VAL C C 88 178.500 178.500 177.805 0.695 18329 4970 1 6 . 1 1 65 65 VAL CA C 88 65.600 65.600 65.904 -0.304 18329 4971 1 6 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.189 0.511 18329 4972 1 6 . 1 1 65 65 VAL H H 88 7.380 7.380 7.528 -0.148 18329 4973 1 6 . 1 1 66 66 ALA N N 89 124.260 124.260 121.742 2.518 18329 4974 1 6 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.990 0.260 18329 4975 1 6 . 1 1 66 66 ALA C C 89 179.900 179.900 179.008 0.892 18329 4976 1 6 . 1 1 66 66 ALA CA C 89 54.900 54.900 54.929 -0.029 18329 4977 1 6 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.265 1.235 18329 4978 1 6 . 1 1 66 66 ALA H H 89 8.390 8.390 7.515 0.875 18329 4979 1 6 . 1 1 67 67 GLU N N 90 120.180 120.180 118.509 1.671 18329 4980 1 6 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.991 -0.271 18329 4981 1 6 . 1 1 67 67 GLU C C 90 177.600 177.600 178.598 -0.998 18329 4982 1 6 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.867 0.033 18329 4983 1 6 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.418 -1.118 18329 4984 1 6 . 1 1 67 67 GLU H H 90 8.520 8.520 8.383 0.137 18329 4985 1 6 . 1 1 68 68 LYS N N 91 116.340 116.340 117.863 -1.523 18329 4986 1 6 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.003 -0.043 18329 4987 1 6 . 1 1 68 68 LYS C C 91 179.200 179.200 179.112 0.088 18329 4988 1 6 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.938 0.862 18329 4989 1 6 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.250 -0.250 18329 4990 1 6 . 1 1 68 68 LYS H H 91 7.210 7.210 7.634 -0.424 18329 4991 1 6 . 1 1 69 69 PHE N N 92 120.990 120.990 120.574 0.416 18329 4992 1 6 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.243 0.267 18329 4993 1 6 . 1 1 69 69 PHE C C 92 175.100 175.100 176.840 -1.740 18329 4994 1 6 . 1 1 69 69 PHE CA C 92 59.800 59.800 60.957 -1.157 18329 4995 1 6 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.318 -0.118 18329 4996 1 6 . 1 1 69 69 PHE H H 92 7.180 7.180 7.672 -0.492 18329 4997 1 6 . 1 1 70 70 VAL N N 93 120.330 120.330 119.434 0.896 18329 4998 1 6 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.613 -0.523 18329 4999 1 6 . 1 1 70 70 VAL C C 93 177.500 177.500 178.385 -0.885 18329 5000 1 6 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.785 0.115 18329 5001 1 6 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.326 0.074 18329 5002 1 6 . 1 1 70 70 VAL H H 93 7.930 7.930 7.839 0.091 18329 5003 1 6 . 1 1 71 71 ILE N N 94 120.410 120.410 114.744 5.666 18329 5004 1 6 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.756 0.074 18329 5005 1 6 . 1 1 71 71 ILE C C 94 177.700 177.700 177.425 0.275 18329 5006 1 6 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.408 0.592 18329 5007 1 6 . 1 1 71 71 ILE CB C 94 37.300 37.300 36.561 0.739 18329 5008 1 6 . 1 1 71 71 ILE H H 94 8.180 8.180 7.656 0.524 18329 5009 1 6 . 1 1 72 72 ALA N N 95 122.440 122.440 123.214 -0.774 18329 5010 1 6 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.850 0.110 18329 5011 1 6 . 1 1 72 72 ALA C C 95 179.600 179.600 179.321 0.279 18329 5012 1 6 . 1 1 72 72 ALA CA C 95 55.900 55.900 54.984 0.916 18329 5013 1 6 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.883 -0.683 18329 5014 1 6 . 1 1 72 72 ALA H H 95 7.340 7.340 7.374 -0.034 18329 5015 1 6 . 1 1 73 73 ILE N N 96 119.330 119.330 119.450 -0.120 18329 5016 1 6 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.602 -0.162 18329 5017 1 6 . 1 1 73 73 ILE C C 96 177.400 177.400 177.740 -0.340 18329 5018 1 6 . 1 1 73 73 ILE CA C 96 62.800 62.800 64.275 -1.475 18329 5019 1 6 . 1 1 73 73 ILE CB C 96 34.400 34.400 37.399 -2.999 18329 5020 1 6 . 1 1 73 73 ILE H H 96 7.820 7.820 7.560 0.260 18329 5021 1 6 . 1 1 74 74 GLU N N 97 118.440 118.440 120.954 -2.514 18329 5022 1 6 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.823 -0.133 18329 5023 1 6 . 1 1 74 74 GLU C C 97 180.500 180.500 178.995 1.505 18329 5024 1 6 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.940 -0.240 18329 5025 1 6 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.494 0.206 18329 5026 1 6 . 1 1 74 74 GLU H H 97 8.380 8.380 7.586 0.794 18329 5027 1 6 . 1 1 75 75 GLU N N 98 120.470 120.470 117.955 2.515 18329 5028 1 6 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.070 -0.130 18329 5029 1 6 . 1 1 75 75 GLU C C 98 180.600 180.600 179.189 1.411 18329 5030 1 6 . 1 1 75 75 GLU CA C 98 59.700 59.700 58.841 0.859 18329 5031 1 6 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.324 0.876 18329 5032 1 6 . 1 1 75 75 GLU H H 98 8.800 8.800 8.280 0.520 18329 5033 1 6 . 1 1 76 76 GLU N N 99 119.230 119.230 120.165 -0.935 18329 5034 1 6 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.074 0.066 18329 5035 1 6 . 1 1 76 76 GLU C C 99 178.900 178.900 178.764 0.136 18329 5036 1 6 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.991 -0.391 18329 5037 1 6 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.307 -0.007 18329 5038 1 6 . 1 1 76 76 GLU H H 99 8.840 8.840 8.433 0.407 18329 5039 1 6 . 1 1 77 77 ALA N N 100 121.950 121.950 120.989 0.961 18329 5040 1 6 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.200 -0.200 18329 5041 1 6 . 1 1 77 77 ALA C C 100 179.000 179.000 179.332 -0.332 18329 5042 1 6 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.201 1.099 18329 5043 1 6 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.547 -1.748 18329 5044 1 6 . 1 1 77 77 ALA H H 100 9.400 9.400 8.350 1.050 18329 5045 1 6 . 1 1 78 78 THR N N 101 111.820 111.820 114.115 -2.295 18329 5046 1 6 . 1 1 78 78 THR HA H 101 3.750 3.750 3.963 -0.213 18329 5047 1 6 . 1 1 78 78 THR CA C 101 67.500 67.500 65.813 1.687 18329 5048 1 6 . 1 1 78 78 THR CB C 101 68.600 68.600 68.684 -0.084 18329 5049 1 6 . 1 1 78 78 THR H H 101 7.770 7.770 7.556 0.214 18329 5050 1 6 . 1 1 79 79 LYS N N 102 122.940 122.940 118.978 3.962 18329 5051 1 6 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.106 -0.016 18329 5052 1 6 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.531 0.669 18329 5053 1 6 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.435 0.065 18329 5054 1 6 . 1 1 79 79 LYS H H 102 7.870 7.870 7.662 0.208 18329 5055 1 6 . 1 1 80 80 LEU N N 103 117.690 117.690 118.419 -0.729 18329 5056 1 6 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.440 0.050 18329 5057 1 6 . 1 1 80 80 LEU C C 103 178.140 178.140 178.937 -0.797 18329 5058 1 6 . 1 1 80 80 LEU CA C 103 54.000 54.000 56.109 -2.109 18329 5059 1 6 . 1 1 80 80 LEU CB C 103 43.100 43.100 41.769 1.331 18329 5060 1 6 . 1 1 80 80 LEU H H 103 7.550 7.550 7.370 0.180 18329 5061 1 6 . 1 1 81 81 LYS N N 104 122.210 122.210 115.085 7.125 18329 5062 1 6 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.933 -0.003 18329 5063 1 6 . 1 1 81 81 LYS C C 104 178.000 178.000 176.028 1.972 18329 5064 1 6 . 1 1 81 81 LYS CA C 104 61.300 61.300 58.258 3.042 18329 5065 1 6 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.404 1.397 18329 5066 1 6 . 1 1 81 81 LYS H H 104 7.500 7.500 8.206 -0.706 18329 5067 1 6 . 1 1 82 82 GLU N N 105 114.920 114.920 118.929 -4.009 18329 5068 1 6 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.293 0.267 18329 5069 1 6 . 1 1 82 82 GLU C C 105 177.900 177.900 177.554 0.346 18329 5070 1 6 . 1 1 82 82 GLU CA C 105 57.660 57.660 56.378 1.282 18329 5071 1 6 . 1 1 82 82 GLU CB C 105 30.400 30.400 30.068 0.332 18329 5072 1 6 . 1 1 82 82 GLU H H 105 8.780 8.780 7.938 0.842 18329 5073 1 6 . 1 1 83 83 THR N N 106 107.260 107.260 112.725 -5.465 18329 5074 1 6 . 1 1 83 83 THR HA H 106 4.550 4.550 4.028 0.522 18329 5075 1 6 . 1 1 83 83 THR C C 106 176.300 176.300 175.599 0.701 18329 5076 1 6 . 1 1 83 83 THR CA C 106 61.900 61.900 64.763 -2.863 18329 5077 1 6 . 1 1 83 83 THR CB C 106 70.400 70.400 69.061 1.339 18329 5078 1 6 . 1 1 83 83 THR H H 106 7.570 7.570 8.404 -0.834 18329 5079 1 6 . 1 1 84 84 GLY N N 107 112.110 112.110 109.029 3.081 18329 5080 1 6 . 1 1 84 84 GLY C C 107 172.800 172.800 175.376 -2.576 18329 5081 1 6 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.175 0.225 18329 5082 1 6 . 1 1 84 84 GLY H H 107 9.000 9.000 8.043 0.957 18329 5083 1 6 . 1 1 85 85 SER N N 108 119.030 119.030 116.966 2.064 18329 5084 1 6 . 1 1 85 85 SER CA C 108 56.300 56.300 59.190 -2.890 18329 5085 1 6 . 1 1 85 85 SER CB C 108 66.300 66.300 63.332 2.968 18329 5086 1 6 . 1 1 85 85 SER H H 108 8.950 8.950 8.707 0.243 18329 5087 1 6 . 1 1 86 86 SER HA H 109 4.480 4.480 4.262 0.218 18329 5088 1 6 . 1 1 86 86 SER C C 109 177.000 177.000 175.929 1.071 18329 5089 1 6 . 1 1 86 86 SER CA C 109 61.600 61.600 61.527 0.073 18329 5090 1 6 . 1 1 86 86 SER CB C 109 62.900 62.900 61.242 1.658 18329 5091 1 6 . 1 1 87 87 GLY N N 110 108.100 108.100 107.883 0.217 18329 5092 1 6 . 1 1 87 87 GLY C C 110 177.100 177.100 175.342 1.758 18329 5093 1 6 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.444 -0.244 18329 5094 1 6 . 1 1 87 87 GLY H H 110 8.480 8.480 8.378 0.102 18329 5095 1 6 . 1 1 88 88 GLU N N 111 123.040 123.040 120.991 2.049 18329 5096 1 6 . 1 1 88 88 GLU HA H 111 3.690 3.690 3.996 -0.306 18329 5097 1 6 . 1 1 88 88 GLU C C 111 177.700 177.700 178.706 -1.006 18329 5098 1 6 . 1 1 88 88 GLU CA C 111 59.500 59.500 59.022 0.478 18329 5099 1 6 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.379 -0.679 18329 5100 1 6 . 1 1 88 88 GLU H H 111 7.560 7.560 8.652 -1.092 18329 5101 1 6 . 1 1 89 89 PHE N N 112 118.270 118.270 116.266 2.004 18329 5102 1 6 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.406 0.014 18329 5103 1 6 . 1 1 89 89 PHE C C 112 178.600 178.600 178.049 0.551 18329 5104 1 6 . 1 1 89 89 PHE CA C 112 61.100 61.100 60.813 0.287 18329 5105 1 6 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.774 -0.874 18329 5106 1 6 . 1 1 89 89 PHE H H 112 7.200 7.200 7.465 -0.265 18329 5107 1 6 . 1 1 90 90 SER N N 113 115.980 115.980 115.557 0.423 18329 5108 1 6 . 1 1 90 90 SER HA H 113 4.290 4.290 4.171 0.119 18329 5109 1 6 . 1 1 90 90 SER C C 113 178.600 178.600 176.322 2.278 18329 5110 1 6 . 1 1 90 90 SER CA C 113 62.700 62.700 61.732 0.968 18329 5111 1 6 . 1 1 90 90 SER CB C 113 62.800 62.800 62.551 0.249 18329 5112 1 6 . 1 1 90 90 SER H H 113 8.830 8.830 7.794 1.036 18329 5113 1 6 . 1 1 91 91 ALA N N 114 123.130 123.130 124.078 -0.948 18329 5114 1 6 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.218 0.162 18329 5115 1 6 . 1 1 91 91 ALA C C 114 181.300 181.300 179.288 2.012 18329 5116 1 6 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.507 0.193 18329 5117 1 6 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.364 0.036 18329 5118 1 6 . 1 1 91 91 ALA H H 114 7.580 7.580 7.586 -0.006 18329 5119 1 6 . 1 1 92 92 MET N N 115 118.700 118.700 117.971 0.729 18329 5120 1 6 . 1 1 92 92 MET HA H 115 3.980 3.980 4.231 -0.251 18329 5121 1 6 . 1 1 92 92 MET C C 115 178.000 178.000 178.189 -0.189 18329 5122 1 6 . 1 1 92 92 MET CA C 115 61.000 61.000 59.105 1.895 18329 5123 1 6 . 1 1 92 92 MET CB C 115 31.400 31.400 32.812 -1.412 18329 5124 1 6 . 1 1 92 92 MET H H 115 7.880 7.880 7.817 0.063 18329 5125 1 6 . 1 1 93 93 TYR N N 116 119.200 119.200 120.832 -1.632 18329 5126 1 6 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.081 0.199 18329 5127 1 6 . 1 1 93 93 TYR C C 116 176.300 176.300 177.394 -1.094 18329 5128 1 6 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.849 0.251 18329 5129 1 6 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.307 -0.007 18329 5130 1 6 . 1 1 93 93 TYR H H 116 7.870 7.870 7.960 -0.090 18329 5131 1 6 . 1 1 94 94 ASP N N 117 120.210 120.210 119.074 1.136 18329 5132 1 6 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.471 -0.281 18329 5133 1 6 . 1 1 94 94 ASP C C 117 179.000 179.000 178.563 0.437 18329 5134 1 6 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.325 0.375 18329 5135 1 6 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.401 -0.401 18329 5136 1 6 . 1 1 94 94 ASP H H 117 8.720 8.720 7.981 0.739 18329 5137 1 6 . 1 1 95 95 LEU N N 118 118.420 118.420 121.446 -3.026 18329 5138 1 6 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.032 0.178 18329 5139 1 6 . 1 1 95 95 LEU C C 118 178.600 178.600 178.425 0.175 18329 5140 1 6 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.419 0.281 18329 5141 1 6 . 1 1 95 95 LEU CB C 118 43.100 43.100 42.126 0.974 18329 5142 1 6 . 1 1 95 95 LEU H H 118 7.510 7.510 7.823 -0.313 18329 5143 1 6 . 1 1 96 96 MET N N 119 118.470 118.470 118.946 -0.476 18329 5144 1 6 . 1 1 96 96 MET HA H 119 3.990 3.990 4.002 -0.012 18329 5145 1 6 . 1 1 96 96 MET C C 119 177.500 177.500 178.213 -0.713 18329 5146 1 6 . 1 1 96 96 MET CA C 119 60.500 60.500 58.110 2.390 18329 5147 1 6 . 1 1 96 96 MET CB C 119 33.900 33.900 31.638 2.262 18329 5148 1 6 . 1 1 96 96 MET H H 119 7.820 7.820 7.743 0.077 18329 5149 1 6 . 1 1 97 97 PHE N N 120 119.580 119.580 119.392 0.188 18329 5150 1 6 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.107 -0.297 18329 5151 1 6 . 1 1 97 97 PHE C C 120 178.800 178.800 177.724 1.076 18329 5152 1 6 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.192 0.608 18329 5153 1 6 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.794 0.406 18329 5154 1 6 . 1 1 97 97 PHE H H 120 8.940 8.940 7.661 1.279 18329 5155 1 6 . 1 1 98 98 GLU N N 121 119.940 119.940 118.252 1.688 18329 5156 1 6 . 1 1 98 98 GLU HA H 121 3.880 3.880 3.890 -0.010 18329 5157 1 6 . 1 1 98 98 GLU C C 121 180.800 180.800 179.494 1.306 18329 5158 1 6 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.374 0.426 18329 5159 1 6 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.327 -0.127 18329 5160 1 6 . 1 1 98 98 GLU H H 121 8.690 8.690 7.839 0.851 18329 5161 1 6 . 1 1 99 99 VAL N N 122 115.350 115.350 113.832 1.518 18329 5162 1 6 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.705 0.035 18329 5163 1 6 . 1 1 99 99 VAL C C 122 176.500 176.500 176.929 -0.429 18329 5164 1 6 . 1 1 99 99 VAL CA C 122 64.500 64.500 65.058 -0.559 18329 5165 1 6 . 1 1 99 99 VAL CB C 122 31.300 31.300 30.997 0.303 18329 5166 1 6 . 1 1 99 99 VAL H H 122 8.210 8.210 7.737 0.473 18329 5167 1 6 . 1 1 100 100 SER N N 123 115.450 115.450 115.617 -0.167 18329 5168 1 6 . 1 1 100 100 SER HA H 123 4.270 4.270 4.148 0.122 18329 5169 1 6 . 1 1 100 100 SER C C 123 174.700 174.700 175.994 -1.294 18329 5170 1 6 . 1 1 100 100 SER CA C 123 62.000 62.000 60.789 1.211 18329 5171 1 6 . 1 1 100 100 SER H H 123 7.520 7.520 7.300 0.220 18329 5172 1 6 . 1 1 101 101 LYS N N 124 120.310 120.310 121.682 -1.372 18329 5173 1 6 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.027 -0.057 18329 5174 1 6 . 1 1 101 101 LYS C C 124 176.600 176.600 176.795 -0.195 18329 5175 1 6 . 1 1 101 101 LYS CA C 124 61.100 61.100 60.293 0.807 18329 5176 1 6 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.148 -1.648 18329 5177 1 6 . 1 1 101 101 LYS H H 124 6.930 6.930 7.139 -0.209 18329 5178 1 6 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.212 0.048 18329 5179 1 6 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.339 -0.139 18329 5180 1 6 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.240 -0.640 18329 5181 1 6 . 1 1 103 103 LEU N N 126 116.020 116.020 117.613 -1.593 18329 5182 1 6 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.056 -0.176 18329 5183 1 6 . 1 1 103 103 LEU C C 126 177.900 177.900 178.603 -0.703 18329 5184 1 6 . 1 1 103 103 LEU CA C 126 57.700 57.700 56.502 1.198 18329 5185 1 6 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.413 0.387 18329 5186 1 6 . 1 1 103 103 LEU H H 126 6.520 6.520 7.359 -0.839 18329 5187 1 6 . 1 1 104 104 GLN N N 127 120.500 120.500 118.978 1.522 18329 5188 1 6 . 1 1 104 104 GLN C C 127 180.600 180.600 177.450 3.150 18329 5189 1 6 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.340 -0.040 18329 5190 1 6 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.716 0.284 18329 5191 1 6 . 1 1 104 104 GLN H H 127 8.160 8.160 7.502 0.658 18329 5192 1 6 . 1 1 105 105 LYS N N 128 120.000 120.000 117.864 2.136 18329 5193 1 6 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.054 -0.004 18329 5194 1 6 . 1 1 105 105 LYS C C 128 177.100 177.100 178.150 -1.050 18329 5195 1 6 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.359 0.141 18329 5196 1 6 . 1 1 105 105 LYS CB C 128 31.400 31.400 31.883 -0.483 18329 5197 1 6 . 1 1 105 105 LYS H H 128 7.810 7.810 7.866 -0.056 18329 5198 1 6 . 1 1 106 106 LEU N N 129 118.530 118.530 117.467 1.063 18329 5199 1 6 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.135 -0.165 18329 5200 1 6 . 1 1 106 106 LEU C C 129 175.200 175.200 177.803 -2.603 18329 5201 1 6 . 1 1 106 106 LEU CA C 129 54.500 54.500 56.871 -2.371 18329 5202 1 6 . 1 1 106 106 LEU CB C 129 42.400 42.400 42.370 0.030 18329 5203 1 6 . 1 1 106 106 LEU H H 129 7.220 7.220 7.307 -0.087 18329 5204 1 6 . 1 1 107 107 GLY N N 130 101.490 101.490 101.549 -0.059 18329 5205 1 6 . 1 1 107 107 GLY C C 130 174.800 174.800 173.491 1.309 18329 5206 1 6 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.509 0.591 18329 5207 1 6 . 1 1 107 107 GLY H H 130 7.560 7.560 8.039 -0.479 18329 5208 1 6 . 1 1 108 108 ILE N N 131 121.340 121.340 122.919 -1.579 18329 5209 1 6 . 1 1 108 108 ILE HA H 131 4.150 4.150 4.221 -0.071 18329 5210 1 6 . 1 1 108 108 ILE C C 131 174.300 174.300 174.350 -0.050 18329 5211 1 6 . 1 1 108 108 ILE CA C 131 60.400 60.400 60.949 -0.549 18329 5212 1 6 . 1 1 108 108 ILE CB C 131 35.200 35.200 38.144 -2.943 18329 5213 1 6 . 1 1 108 108 ILE H H 131 7.290 7.290 7.231 0.059 18329 5214 1 6 . 1 1 109 109 GLN N N 132 125.650 125.650 126.251 -0.601 18329 5215 1 6 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.657 -0.647 18329 5216 1 6 . 1 1 109 109 GLN C C 132 176.800 176.800 175.648 1.152 18329 5217 1 6 . 1 1 109 109 GLN CA C 132 57.600 57.600 54.541 3.059 18329 5218 1 6 . 1 1 109 109 GLN CB C 132 29.000 29.000 31.882 -2.882 18329 5219 1 6 . 1 1 109 109 GLN H H 132 8.080 8.080 8.513 -0.433 18329 5220 1 6 . 1 1 110 110 GLU N N 133 114.890 114.890 115.795 -0.905 18329 5221 1 6 . 1 1 110 110 GLU HA H 133 4.150 4.150 3.901 0.249 18329 5222 1 6 . 1 1 110 110 GLU C C 133 177.100 177.100 177.907 -0.807 18329 5223 1 6 . 1 1 110 110 GLU CA C 133 57.100 57.100 58.370 -1.270 18329 5224 1 6 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.847 -1.547 18329 5225 1 6 . 1 1 110 110 GLU H H 133 9.270 9.270 8.808 0.462 18329 5226 1 6 . 1 1 111 111 MET N N 134 121.210 121.210 117.734 3.476 18329 5227 1 6 . 1 1 111 111 MET HA H 134 4.350 4.350 4.241 0.109 18329 5228 1 6 . 1 1 111 111 MET C C 134 177.500 177.500 177.704 -0.204 18329 5229 1 6 . 1 1 111 111 MET CA C 134 57.900 57.900 59.013 -1.113 18329 5230 1 6 . 1 1 111 111 MET CB C 134 33.300 33.300 31.895 1.405 18329 5231 1 6 . 1 1 111 111 MET H H 134 7.620 7.620 8.233 -0.613 18329 5232 1 6 . 1 1 112 112 THR N N 135 113.170 113.170 112.108 1.062 18329 5233 1 6 . 1 1 112 112 THR HA H 135 3.920 3.920 4.101 -0.181 18329 5234 1 6 . 1 1 112 112 THR C C 135 176.400 176.400 176.279 0.121 18329 5235 1 6 . 1 1 112 112 THR CA C 135 65.900 65.900 66.023 -0.123 18329 5236 1 6 . 1 1 112 112 THR CB C 135 68.200 68.200 67.853 0.347 18329 5237 1 6 . 1 1 112 112 THR H H 135 8.320 8.320 8.137 0.183 18329 5238 1 6 . 1 1 113 113 LYS N N 136 123.440 123.440 121.940 1.500 18329 5239 1 6 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.133 -0.203 18329 5240 1 6 . 1 1 113 113 LYS C C 136 177.600 177.600 179.656 -2.056 18329 5241 1 6 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.215 -0.915 18329 5242 1 6 . 1 1 113 113 LYS CB C 136 32.000 32.000 31.197 0.803 18329 5243 1 6 . 1 1 113 113 LYS H H 136 8.060 8.060 8.079 -0.019 18329 5244 1 6 . 1 1 114 114 THR N N 137 114.590 114.590 117.365 -2.775 18329 5245 1 6 . 1 1 114 114 THR HA H 137 4.000 4.000 3.976 0.024 18329 5246 1 6 . 1 1 114 114 THR C C 137 176.800 176.800 176.613 0.187 18329 5247 1 6 . 1 1 114 114 THR CA C 137 67.600 67.600 66.748 0.852 18329 5248 1 6 . 1 1 114 114 THR CB C 137 69.200 69.200 68.757 0.442 18329 5249 1 6 . 1 1 114 114 THR H H 137 7.950 7.950 7.840 0.110 18329 5250 1 6 . 1 1 115 115 VAL N N 138 119.080 119.080 120.776 -1.696 18329 5251 1 6 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.749 0.071 18329 5252 1 6 . 1 1 115 115 VAL C C 138 176.900 176.900 177.585 -0.685 18329 5253 1 6 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.584 1.216 18329 5254 1 6 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.863 0.637 18329 5255 1 6 . 1 1 115 115 VAL H H 138 7.320 7.320 7.896 -0.576 18329 5256 1 6 . 1 1 116 116 SER N N 139 116.630 116.630 115.080 1.550 18329 5257 1 6 . 1 1 116 116 SER HA H 139 4.680 4.680 4.458 0.222 18329 5258 1 6 . 1 1 116 116 SER C C 139 179.000 179.000 177.090 1.910 18329 5259 1 6 . 1 1 116 116 SER CA C 139 61.400 61.400 61.372 0.028 18329 5260 1 6 . 1 1 116 116 SER CB C 139 62.800 62.800 63.041 -0.241 18329 5261 1 6 . 1 1 116 116 SER H H 139 8.990 8.990 8.514 0.476 18329 5262 1 6 . 1 1 117 117 ASP N N 140 124.220 124.220 123.395 0.825 18329 5263 1 6 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.441 -0.081 18329 5264 1 6 . 1 1 117 117 ASP C C 140 179.900 179.900 177.980 1.920 18329 5265 1 6 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.986 0.313 18329 5266 1 6 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.796 -1.296 18329 5267 1 6 . 1 1 117 117 ASP H H 140 9.480 9.480 8.659 0.820 18329 5268 1 6 . 1 1 118 118 ALA N N 141 121.420 121.420 121.933 -0.513 18329 5269 1 6 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.054 0.226 18329 5270 1 6 . 1 1 118 118 ALA C C 141 179.800 179.800 178.534 1.266 18329 5271 1 6 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.511 -0.111 18329 5272 1 6 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.386 0.614 18329 5273 1 6 . 1 1 118 118 ALA H H 141 7.340 7.340 7.548 -0.208 18329 5274 1 6 . 1 1 119 119 ALA N N 142 121.680 121.680 119.568 2.112 18329 5275 1 6 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.102 0.028 18329 5276 1 6 . 1 1 119 119 ALA C C 142 178.800 178.800 178.404 0.396 18329 5277 1 6 . 1 1 119 119 ALA CA C 142 53.200 53.200 53.771 -0.571 18329 5278 1 6 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.872 -0.572 18329 5279 1 6 . 1 1 119 119 ALA H H 142 7.890 7.890 7.420 0.470 18329 5280 1 6 . 1 1 120 120 GLU N N 143 117.690 117.690 117.900 -0.210 18329 5281 1 6 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.293 -0.353 18329 5282 1 6 . 1 1 120 120 GLU C C 143 178.100 178.100 176.035 2.065 18329 5283 1 6 . 1 1 120 120 GLU CA C 143 58.700 58.700 57.087 1.613 18329 5284 1 6 . 1 1 120 120 GLU CB C 143 29.500 29.500 27.700 1.800 18329 5285 1 6 . 1 1 120 120 GLU H H 143 7.500 7.500 7.647 -0.147 18329 5286 1 6 . 1 1 121 121 GLU N N 144 115.680 115.680 119.340 -3.660 18329 5287 1 6 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.356 -0.196 18329 5288 1 6 . 1 1 121 121 GLU C C 144 176.100 176.100 175.364 0.736 18329 5289 1 6 . 1 1 121 121 GLU CA C 144 56.900 56.900 57.415 -0.515 18329 5290 1 6 . 1 1 121 121 GLU CB C 144 31.100 31.100 31.267 -0.167 18329 5291 1 6 . 1 1 121 121 GLU H H 144 6.970 6.970 8.325 -1.355 18329 5292 1 6 . 1 1 122 122 ASN N N 145 117.750 117.750 119.295 -1.545 18329 5293 1 6 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.095 -0.105 18329 5294 1 6 . 1 1 122 122 ASN C C 145 185.300 185.300 172.563 12.737 18329 5295 1 6 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.976 -0.776 18329 5296 1 6 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.049 2.051 18329 5297 1 6 . 1 1 122 122 ASN H H 145 7.670 7.670 7.859 -0.189 18329 5298 1 6 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.393 0.237 18329 5299 1 6 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.575 -1.575 18329 5300 1 6 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.472 -0.172 18329 5301 1 6 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.232 0.208 18329 5302 1 6 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.510 -0.610 18329 5303 1 6 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.546 -3.146 18329 5304 1 6 . 1 1 125 125 THR N N 148 106.090 106.090 111.860 -5.770 18329 5305 1 6 . 1 1 125 125 THR HA H 148 4.530 4.530 4.062 0.468 18329 5306 1 6 . 1 1 125 125 THR C C 148 174.300 174.300 174.397 -0.097 18329 5307 1 6 . 1 1 125 125 THR CA C 148 61.200 61.200 64.400 -3.200 18329 5308 1 6 . 1 1 125 125 THR CB C 148 68.600 68.600 68.507 0.093 18329 5309 1 6 . 1 1 125 125 THR H H 148 7.800 7.800 8.025 -0.225 18329 5310 1 6 . 1 1 126 126 THR N N 149 108.650 108.650 109.108 -0.458 18329 5311 1 6 . 1 1 126 126 THR HA H 149 4.170 4.170 4.677 -0.507 18329 5312 1 6 . 1 1 126 126 THR C C 149 173.100 173.100 173.598 -0.498 18329 5313 1 6 . 1 1 126 126 THR CA C 149 58.800 58.800 58.577 0.223 18329 5314 1 6 . 1 1 126 126 THR CB C 149 73.100 73.100 72.122 0.978 18329 5315 1 6 . 1 1 126 126 THR H H 149 7.350 7.350 6.993 0.357 18329 5316 1 6 . 1 1 127 127 ALA N N 150 123.270 123.270 122.852 0.418 18329 5317 1 6 . 1 1 127 127 ALA HA H 150 3.020 3.020 2.833 0.187 18329 5318 1 6 . 1 1 127 127 ALA CA C 150 55.000 55.000 54.581 0.419 18329 5319 1 6 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.674 0.026 18329 5320 1 6 . 1 1 127 127 ALA H H 150 7.750 7.750 8.671 -0.921 18329 5321 1 6 . 1 1 128 128 GLN N N 151 114.920 114.920 117.805 -2.885 18329 5322 1 6 . 1 1 128 128 GLN HA H 151 3.750 3.750 3.957 -0.207 18329 5323 1 6 . 1 1 128 128 GLN C C 151 178.400 178.400 178.542 -0.142 18329 5324 1 6 . 1 1 128 128 GLN CA C 151 58.800 58.800 57.903 0.897 18329 5325 1 6 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.441 -1.240 18329 5326 1 6 . 1 1 128 128 GLN H H 151 8.300 8.300 8.559 -0.259 18329 5327 1 6 . 1 1 129 129 GLY N N 152 107.280 107.280 106.857 0.423 18329 5328 1 6 . 1 1 129 129 GLY C C 152 174.900 174.900 175.545 -0.645 18329 5329 1 6 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.919 0.281 18329 5330 1 6 . 1 1 129 129 GLY H H 152 7.920 7.920 7.705 0.215 18329 5331 1 6 . 1 1 130 130 VAL N N 153 119.440 119.440 122.684 -3.244 18329 5332 1 6 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.667 -0.197 18329 5333 1 6 . 1 1 130 130 VAL C C 153 177.700 177.700 177.453 0.247 18329 5334 1 6 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.698 2.102 18329 5335 1 6 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.598 0.103 18329 5336 1 6 . 1 1 130 130 VAL H H 153 7.390 7.390 7.071 0.319 18329 5337 1 6 . 1 1 131 131 LEU N N 154 118.990 118.990 118.439 0.551 18329 5338 1 6 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.762 0.148 18329 5339 1 6 . 1 1 131 131 LEU C C 154 180.400 180.400 178.928 1.472 18329 5340 1 6 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.200 0.100 18329 5341 1 6 . 1 1 131 131 LEU CB C 154 41.000 41.000 40.800 0.200 18329 5342 1 6 . 1 1 131 131 LEU H H 154 8.640 8.640 7.548 1.092 18329 5343 1 6 . 1 1 132 132 GLU N N 155 120.980 120.980 119.099 1.881 18329 5344 1 6 . 1 1 132 132 GLU HA H 155 4.120 4.120 3.980 0.140 18329 5345 1 6 . 1 1 132 132 GLU C C 155 179.400 179.400 179.157 0.243 18329 5346 1 6 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.230 -0.330 18329 5347 1 6 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.392 -0.192 18329 5348 1 6 . 1 1 132 132 GLU H H 155 8.000 8.000 7.480 0.520 18329 5349 1 6 . 1 1 133 133 ILE N N 156 121.830 121.830 119.563 2.267 18329 5350 1 6 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.747 -0.167 18329 5351 1 6 . 1 1 133 133 ILE C C 156 178.000 178.000 178.373 -0.373 18329 5352 1 6 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.379 2.121 18329 5353 1 6 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.329 3.271 18329 5354 1 6 . 1 1 133 133 ILE H H 156 8.040 8.040 7.343 0.697 18329 5355 1 6 . 1 1 134 134 ALA N N 157 121.470 121.470 122.765 -1.295 18329 5356 1 6 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.866 0.034 18329 5357 1 6 . 1 1 134 134 ALA C C 157 178.800 178.800 179.276 -0.476 18329 5358 1 6 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.601 -0.301 18329 5359 1 6 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.075 0.025 18329 5360 1 6 . 1 1 134 134 ALA H H 157 8.950 8.950 8.697 0.253 18329 5361 1 6 . 1 1 135 135 LYS N N 158 118.470 118.470 118.354 0.116 18329 5362 1 6 . 1 1 135 135 LYS HA H 158 3.910 3.910 4.036 -0.126 18329 5363 1 6 . 1 1 135 135 LYS C C 158 179.300 179.300 179.175 0.125 18329 5364 1 6 . 1 1 135 135 LYS CA C 158 59.500 59.500 58.963 0.537 18329 5365 1 6 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.304 -0.904 18329 5366 1 6 . 1 1 135 135 LYS H H 158 8.000 8.000 7.928 0.072 18329 5367 1 6 . 1 1 136 136 LYS N N 159 118.000 118.000 119.627 -1.627 18329 5368 1 6 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.074 -0.024 18329 5369 1 6 . 1 1 136 136 LYS C C 159 180.200 180.200 179.203 0.997 18329 5370 1 6 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.314 0.186 18329 5371 1 6 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.342 -1.442 18329 5372 1 6 . 1 1 136 136 LYS H H 159 7.530 7.530 7.939 -0.409 18329 5373 1 6 . 1 1 137 137 MET N N 160 120.990 120.990 119.285 1.705 18329 5374 1 6 . 1 1 137 137 MET HA H 160 3.800 3.800 4.105 -0.305 18329 5375 1 6 . 1 1 137 137 MET C C 160 177.400 177.400 178.085 -0.685 18329 5376 1 6 . 1 1 137 137 MET CA C 160 60.600 60.600 59.784 0.816 18329 5377 1 6 . 1 1 137 137 MET CB C 160 31.800 31.800 32.394 -0.594 18329 5378 1 6 . 1 1 137 137 MET H H 160 8.660 8.660 8.354 0.306 18329 5379 1 6 . 1 1 138 138 ARG N N 161 119.480 119.480 118.745 0.735 18329 5380 1 6 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.904 -0.104 18329 5381 1 6 . 1 1 138 138 ARG C C 161 177.900 177.900 178.403 -0.503 18329 5382 1 6 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.709 0.891 18329 5383 1 6 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.198 -0.398 18329 5384 1 6 . 1 1 138 138 ARG H H 161 9.280 9.280 8.066 1.214 18329 5385 1 6 . 1 1 139 139 GLU N N 162 118.700 118.700 119.954 -1.254 18329 5386 1 6 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.058 -0.058 18329 5387 1 6 . 1 1 139 139 GLU C C 162 179.100 179.100 178.747 0.353 18329 5388 1 6 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.401 0.399 18329 5389 1 6 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.331 0.169 18329 5390 1 6 . 1 1 139 139 GLU H H 162 8.430 8.430 7.734 0.696 18329 5391 1 6 . 1 1 140 140 LYS N N 163 119.310 119.310 119.440 -0.130 18329 5392 1 6 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.073 0.137 18329 5393 1 6 . 1 1 140 140 LYS C C 163 177.900 177.900 179.290 -1.390 18329 5394 1 6 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.773 0.127 18329 5395 1 6 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.215 -1.115 18329 5396 1 6 . 1 1 140 140 LYS H H 163 7.440 7.440 7.724 -0.284 18329 5397 1 6 . 1 1 141 141 LEU N N 164 117.630 117.630 120.333 -2.703 18329 5398 1 6 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.109 -0.220 18329 5399 1 6 . 1 1 141 141 LEU C C 164 178.700 178.700 178.658 0.042 18329 5400 1 6 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.725 0.275 18329 5401 1 6 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.907 -0.407 18329 5402 1 6 . 1 1 141 141 LEU H H 164 8.180 8.180 7.981 0.199 18329 5403 1 6 . 1 1 142 142 GLN N N 165 117.710 117.710 117.471 0.239 18329 5404 1 6 . 1 1 142 142 GLN HA H 165 4.310 4.310 4.037 0.273 18329 5405 1 6 . 1 1 142 142 GLN C C 165 179.200 179.200 178.569 0.631 18329 5406 1 6 . 1 1 142 142 GLN CA C 165 58.500 58.500 58.513 -0.013 18329 5407 1 6 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.238 -0.738 18329 5408 1 6 . 1 1 142 142 GLN H H 165 8.730 8.730 7.988 0.742 18329 5409 1 6 . 1 1 143 143 ARG N N 166 121.410 121.410 120.431 0.979 18329 5410 1 6 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.109 0.081 18329 5411 1 6 . 1 1 143 143 ARG C C 166 179.700 179.700 178.545 1.155 18329 5412 1 6 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.830 -0.030 18329 5413 1 6 . 1 1 143 143 ARG CB C 166 30.200 30.200 30.150 0.050 18329 5414 1 6 . 1 1 143 143 ARG H H 166 8.050 8.050 7.691 0.359 18329 5415 1 6 . 1 1 144 144 VAL N N 167 120.950 120.950 117.646 3.304 18329 5416 1 6 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.749 0.011 18329 5417 1 6 . 1 1 144 144 VAL C C 167 179.200 179.200 178.036 1.164 18329 5418 1 6 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.469 -0.069 18329 5419 1 6 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.445 0.654 18329 5420 1 6 . 1 1 144 144 VAL H H 167 8.190 8.190 7.357 0.833 18329 5421 1 6 . 1 1 145 145 HIS N N 168 123.520 123.520 118.309 5.211 18329 5422 1 6 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.385 -0.485 18329 5423 1 6 . 1 1 145 145 HIS C C 168 177.100 177.100 177.871 -0.771 18329 5424 1 6 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.666 1.634 18329 5425 1 6 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.380 -0.480 18329 5426 1 6 . 1 1 145 145 HIS H H 168 9.240 9.240 7.646 1.594 18329 5427 1 6 . 1 1 146 146 THR N N 169 115.020 115.020 116.918 -1.898 18329 5428 1 6 . 1 1 146 146 THR HA H 169 3.860 3.860 4.138 -0.278 18329 5429 1 6 . 1 1 146 146 THR C C 169 175.700 175.700 176.439 -0.739 18329 5430 1 6 . 1 1 146 146 THR CA C 169 67.200 67.200 67.261 -0.062 18329 5431 1 6 . 1 1 146 146 THR CB C 169 69.300 69.300 68.570 0.730 18329 5432 1 6 . 1 1 146 146 THR H H 169 8.750 8.750 8.659 0.091 18329 5433 1 6 . 1 1 147 147 LYS N N 170 120.300 120.300 121.330 -1.030 18329 5434 1 6 . 1 1 147 147 LYS HA H 170 4.000 4.000 4.041 -0.041 18329 5435 1 6 . 1 1 147 147 LYS C C 170 179.300 179.300 179.097 0.203 18329 5436 1 6 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.564 -0.464 18329 5437 1 6 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.007 -0.207 18329 5438 1 6 . 1 1 147 147 LYS H H 170 8.020 8.020 8.142 -0.122 18329 5439 1 6 . 1 1 148 148 ASN N N 171 117.600 117.600 118.301 -0.701 18329 5440 1 6 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.526 -0.206 18329 5441 1 6 . 1 1 148 148 ASN C C 171 175.400 175.400 177.723 -2.323 18329 5442 1 6 . 1 1 148 148 ASN CA C 171 57.700 57.700 56.270 1.430 18329 5443 1 6 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.500 1.200 18329 5444 1 6 . 1 1 148 148 ASN H H 171 7.810 7.810 7.705 0.105 18329 5445 1 6 . 1 1 149 149 TYR N N 172 121.560 121.560 121.600 -0.040 18329 5446 1 6 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.136 -0.246 18329 5447 1 6 . 1 1 149 149 TYR C C 172 176.900 176.900 177.457 -0.557 18329 5448 1 6 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.972 -0.472 18329 5449 1 6 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.661 0.259 18329 5450 1 6 . 1 1 149 149 TYR H H 172 9.020 9.020 7.869 1.151 18329 5451 1 6 . 1 1 150 150 CYS N N 173 116.050 116.050 118.156 -2.106 18329 5452 1 6 . 1 1 150 150 CYS C C 173 177.100 177.100 176.557 0.543 18329 5453 1 6 . 1 1 150 150 CYS CA C 173 58.400 58.400 60.536 -2.136 18329 5454 1 6 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.291 12.309 18329 5455 1 6 . 1 1 150 150 CYS H H 173 8.810 8.810 8.423 0.387 18329 5456 1 6 . 1 1 151 151 THR N N 174 117.190 117.190 114.005 3.185 18329 5457 1 6 . 1 1 151 151 THR HA H 174 3.880 3.880 4.022 -0.142 18329 5458 1 6 . 1 1 151 151 THR C C 174 176.000 176.000 176.884 -0.884 18329 5459 1 6 . 1 1 151 151 THR CA C 174 66.900 66.900 65.652 1.248 18329 5460 1 6 . 1 1 151 151 THR CB C 174 68.500 68.500 68.663 -0.163 18329 5461 1 6 . 1 1 151 151 THR H H 174 7.720 7.720 7.925 -0.205 18329 5462 1 6 . 1 1 152 152 LEU N N 175 123.110 123.110 123.092 0.018 18329 5463 1 6 . 1 1 152 152 LEU HA H 175 3.810 3.810 3.961 -0.151 18329 5464 1 6 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.638 0.362 18329 5465 1 6 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.628 -0.128 18329 5466 1 6 . 1 1 152 152 LEU H H 175 7.870 7.870 7.737 0.133 18329 5467 1 6 . 1 1 153 153 LYS N N 176 117.270 117.270 117.470 -0.200 18329 5468 1 6 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.887 -0.187 18329 5469 1 6 . 1 1 153 153 LYS C C 176 179.100 179.100 178.035 1.065 18329 5470 1 6 . 1 1 153 153 LYS CA C 176 56.700 56.700 57.840 -1.140 18329 5471 1 6 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.288 -1.388 18329 5472 1 6 . 1 1 153 153 LYS H H 176 7.900 7.900 7.431 0.469 18329 5473 1 6 . 1 1 154 154 LYS N N 177 119.290 119.290 120.870 -1.580 18329 5474 1 6 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.112 0.148 18329 5475 1 6 . 1 1 154 154 LYS C C 177 178.100 178.100 178.469 -0.369 18329 5476 1 6 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.712 -1.912 18329 5477 1 6 . 1 1 154 154 LYS CB C 177 31.800 31.800 32.250 -0.450 18329 5478 1 6 . 1 1 154 154 LYS H H 177 7.540 7.540 7.660 -0.120 18329 5479 1 6 . 1 1 155 155 LYS N N 178 118.910 118.910 117.980 0.930 18329 5480 1 6 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.000 0.050 18329 5481 1 6 . 1 1 155 155 LYS C C 178 178.100 178.100 178.125 -0.025 18329 5482 1 6 . 1 1 155 155 LYS CA C 178 58.000 58.000 59.040 -1.040 18329 5483 1 6 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.311 -0.111 18329 5484 1 6 . 1 1 155 155 LYS H H 178 7.630 7.630 7.576 0.054 18329 5485 1 6 . 1 1 156 156 GLU N N 179 117.950 117.950 117.184 0.766 18329 5486 1 6 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.091 0.019 18329 5487 1 6 . 1 1 156 156 GLU C C 179 176.700 176.700 178.473 -1.773 18329 5488 1 6 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.342 -0.842 18329 5489 1 6 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.656 -0.056 18329 5490 1 6 . 1 1 156 156 GLU H H 179 7.560 7.560 7.879 -0.319 18329 5491 1 6 . 1 1 157 157 ASN N N 180 116.590 116.590 116.658 -0.068 18329 5492 1 6 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.328 0.392 18329 5493 1 6 . 1 1 157 157 ASN C C 180 175.000 175.000 177.026 -2.026 18329 5494 1 6 . 1 1 157 157 ASN CA C 180 52.700 52.700 55.603 -2.903 18329 5495 1 6 . 1 1 157 157 ASN CB C 180 38.800 38.800 38.997 -0.197 18329 5496 1 6 . 1 1 157 157 ASN H H 180 7.820 7.820 7.838 -0.018 18329 5497 1 6 . 1 1 158 158 SER HA H 181 4.450 4.450 3.994 0.457 18329 5498 1 6 . 1 1 158 158 SER CA C 181 60.400 60.400 61.030 -0.630 18329 5499 1 6 . 1 1 158 158 SER CB C 181 63.500 63.500 61.852 1.648 18329 5500 1 6 . 1 1 158 158 SER H H 181 8.030 8.030 7.890 0.140 18329 5501 1 6 . 1 1 159 159 THR N N 182 112.800 112.800 114.164 -1.364 18329 5502 1 6 . 1 1 159 159 THR HA H 182 4.380 4.380 4.101 0.279 18329 5503 1 6 . 1 1 159 159 THR C C 182 174.300 174.300 175.559 -1.259 18329 5504 1 6 . 1 1 159 159 THR CA C 182 61.800 61.800 64.753 -2.953 18329 5505 1 6 . 1 1 159 159 THR CB C 182 69.100 69.100 69.268 -0.168 18329 5506 1 6 . 1 1 159 159 THR H H 182 8.070 8.070 8.233 -0.163 18329 5507 1 6 . 1 1 160 160 PHE N N 183 123.120 123.120 118.236 4.884 18329 5508 1 6 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.521 -0.081 18329 5509 1 6 . 1 1 160 160 PHE C C 183 175.100 175.100 173.731 1.369 18329 5510 1 6 . 1 1 160 160 PHE CA C 183 58.900 58.900 58.845 0.055 18329 5511 1 6 . 1 1 160 160 PHE CB C 183 40.000 40.000 39.963 0.037 18329 5512 1 6 . 1 1 160 160 PHE H H 183 7.900 7.900 7.660 0.240 18329 5513 1 6 . 1 1 161 161 THR N N 184 119.330 119.330 113.779 5.551 18329 5514 1 6 . 1 1 161 161 THR HA H 184 4.190 4.190 4.027 0.163 18329 5515 1 6 . 1 1 161 161 THR CA C 184 60.700 60.700 62.875 -2.175 18329 5516 1 6 . 1 1 161 161 THR CB C 184 70.700 70.700 68.837 1.863 18329 5517 1 6 . 1 1 161 161 THR H H 184 7.810 7.810 8.066 -0.256 18329 5518 1 6 . 1 1 162 162 ASP N N 185 123.190 123.190 122.597 0.593 18329 5519 1 6 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.538 -0.128 18329 5520 1 6 . 1 1 162 162 ASP C C 185 176.900 176.900 176.148 0.752 18329 5521 1 6 . 1 1 162 162 ASP CA C 185 53.900 53.900 53.355 0.545 18329 5522 1 6 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.092 2.908 18329 5523 1 6 . 1 1 162 162 ASP H H 185 8.000 8.000 8.365 -0.365 18329 5524 1 6 . 1 1 163 163 GLU HA H 186 4.480 4.480 3.949 0.531 18329 5525 1 6 . 1 1 163 163 GLU CA C 186 58.800 58.800 58.088 0.712 18329 5526 1 6 . 1 1 163 163 GLU CB C 186 28.100 28.100 29.957 -1.857 18329 5527 1 6 . 1 1 166 166 LYS N N 189 118.150 118.150 118.511 -0.361 18329 5528 1 6 . 1 1 166 166 LYS HA H 189 4.220 4.220 3.998 0.222 18329 5529 1 6 . 1 1 166 166 LYS C C 189 177.500 177.500 174.621 2.879 18329 5530 1 6 . 1 1 166 166 LYS CA C 189 58.000 58.000 56.042 1.958 18329 5531 1 6 . 1 1 166 166 LYS CB C 189 32.600 32.600 31.420 1.180 18329 5532 1 6 . 1 1 166 166 LYS H H 189 8.890 8.890 8.111 0.779 18329 5533 1 6 . 1 1 167 167 ASN N N 190 116.210 116.210 120.166 -3.956 18329 5534 1 6 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.340 0.620 18329 5535 1 6 . 1 1 167 167 ASN C C 190 174.900 174.900 175.100 -0.200 18329 5536 1 6 . 1 1 167 167 ASN CA C 190 52.900 52.900 54.448 -1.548 18329 5537 1 6 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.188 0.212 18329 5538 1 6 . 1 1 167 167 ASN H H 190 8.030 8.030 8.428 -0.398 18329 5539 1 7 . 1 1 2 2 ALA N N 25 125.000 125.000 127.679 -2.679 18329 5540 1 7 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.656 -0.286 18329 5541 1 7 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.775 -0.475 18329 5542 1 7 . 1 1 2 2 ALA CB C 25 19.700 19.700 18.229 1.471 18329 5543 1 7 . 1 1 2 2 ALA H H 25 8.690 8.690 8.664 0.026 18329 5544 1 7 . 1 1 3 3 GLY N N 26 106.920 106.920 109.521 -2.601 18329 5545 1 7 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.629 -1.629 18329 5546 1 7 . 1 1 3 3 GLY H H 26 7.940 7.940 8.265 -0.325 18329 5547 1 7 . 1 1 4 4 LEU N N 27 119.140 119.140 117.919 1.221 18329 5548 1 7 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.049 0.361 18329 5549 1 7 . 1 1 4 4 LEU C C 27 177.100 177.100 176.379 0.721 18329 5550 1 7 . 1 1 4 4 LEU CA C 27 54.400 54.400 56.217 -1.817 18329 5551 1 7 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.082 0.018 18329 5552 1 7 . 1 1 4 4 LEU H H 27 8.210 8.210 8.041 0.169 18329 5553 1 7 . 1 1 5 5 THR N N 28 112.940 112.940 110.618 2.322 18329 5554 1 7 . 1 1 5 5 THR HA H 28 4.650 4.650 4.338 0.312 18329 5555 1 7 . 1 1 5 5 THR C C 28 175.500 175.500 173.872 1.628 18329 5556 1 7 . 1 1 5 5 THR CA C 28 60.100 60.100 62.019 -1.919 18329 5557 1 7 . 1 1 5 5 THR CB C 28 72.600 72.600 68.804 3.796 18329 5558 1 7 . 1 1 5 5 THR H H 28 9.220 9.220 7.952 1.268 18329 5559 1 7 . 1 1 6 6 GLY N N 29 108.230 108.230 109.546 -1.316 18329 5560 1 7 . 1 1 6 6 GLY C C 29 174.800 174.800 174.114 0.686 18329 5561 1 7 . 1 1 6 6 GLY CA C 29 46.000 46.000 45.481 0.519 18329 5562 1 7 . 1 1 6 6 GLY H H 29 8.520 8.520 8.818 -0.298 18329 5563 1 7 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.599 -0.559 18329 5564 1 7 . 1 1 7 7 ALA CA C 30 54.800 54.800 53.189 1.611 18329 5565 1 7 . 1 1 7 7 ALA CB C 30 18.200 18.200 19.092 -0.892 18329 5566 1 7 . 1 1 8 8 THR N N 31 116.970 116.970 116.058 0.912 18329 5567 1 7 . 1 1 8 8 THR HA H 31 3.740 3.740 3.988 -0.248 18329 5568 1 7 . 1 1 8 8 THR C C 31 175.300 175.300 176.060 -0.760 18329 5569 1 7 . 1 1 8 8 THR CA C 31 67.000 67.000 67.137 -0.137 18329 5570 1 7 . 1 1 8 8 THR CB C 31 68.700 68.700 68.790 -0.090 18329 5571 1 7 . 1 1 8 8 THR H H 31 8.110 8.110 8.346 -0.236 18329 5572 1 7 . 1 1 9 9 LYS N N 32 120.540 120.540 121.990 -1.450 18329 5573 1 7 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.230 -0.640 18329 5574 1 7 . 1 1 9 9 LYS C C 32 176.900 176.900 178.742 -1.842 18329 5575 1 7 . 1 1 9 9 LYS CA C 32 59.800 59.800 58.794 1.006 18329 5576 1 7 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.916 0.484 18329 5577 1 7 . 1 1 9 9 LYS H H 32 6.860 6.860 8.230 -1.370 18329 5578 1 7 . 1 1 10 10 ILE N N 33 115.940 115.940 118.028 -2.088 18329 5579 1 7 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.745 -0.035 18329 5580 1 7 . 1 1 10 10 ILE C C 33 179.000 179.000 178.177 0.823 18329 5581 1 7 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.299 -0.299 18329 5582 1 7 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.489 0.511 18329 5583 1 7 . 1 1 10 10 ILE H H 33 7.380 7.380 8.046 -0.666 18329 5584 1 7 . 1 1 11 11 ARG N N 34 118.350 118.350 120.955 -2.605 18329 5585 1 7 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.074 -0.034 18329 5586 1 7 . 1 1 11 11 ARG C C 34 180.000 180.000 178.592 1.408 18329 5587 1 7 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.744 -0.344 18329 5588 1 7 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.179 0.121 18329 5589 1 7 . 1 1 11 11 ARG H H 34 8.250 8.250 7.585 0.665 18329 5590 1 7 . 1 1 12 12 LEU N N 35 117.420 117.420 119.581 -2.161 18329 5591 1 7 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.110 0.060 18329 5592 1 7 . 1 1 12 12 LEU C C 35 179.000 179.000 179.301 -0.301 18329 5593 1 7 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.845 0.155 18329 5594 1 7 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.891 -1.091 18329 5595 1 7 . 1 1 12 12 LEU H H 35 8.340 8.340 7.976 0.364 18329 5596 1 7 . 1 1 13 13 GLU N N 36 117.890 117.890 119.362 -1.472 18329 5597 1 7 . 1 1 13 13 GLU HA H 36 4.020 4.020 4.141 -0.121 18329 5598 1 7 . 1 1 13 13 GLU C C 36 180.100 180.100 178.701 1.399 18329 5599 1 7 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.200 1.000 18329 5600 1 7 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.415 -1.115 18329 5601 1 7 . 1 1 13 13 GLU H H 36 8.610 8.610 8.071 0.539 18329 5602 1 7 . 1 1 14 14 ARG N N 37 121.100 121.100 120.105 0.995 18329 5603 1 7 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.041 0.199 18329 5604 1 7 . 1 1 14 14 ARG C C 37 178.100 178.100 178.694 -0.594 18329 5605 1 7 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.710 -1.210 18329 5606 1 7 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.287 -0.087 18329 5607 1 7 . 1 1 14 14 ARG H H 37 7.980 7.980 8.275 -0.295 18329 5608 1 7 . 1 1 15 15 SER N N 38 115.420 115.420 114.387 1.033 18329 5609 1 7 . 1 1 15 15 SER HA H 38 4.380 4.380 4.501 -0.121 18329 5610 1 7 . 1 1 15 15 SER C C 38 177.300 177.300 175.866 1.434 18329 5611 1 7 . 1 1 15 15 SER CA C 38 62.200 62.200 61.011 1.189 18329 5612 1 7 . 1 1 15 15 SER CB C 38 63.200 63.200 63.505 -0.305 18329 5613 1 7 . 1 1 15 15 SER H H 38 8.230 8.230 8.240 -0.010 18329 5614 1 7 . 1 1 16 16 ALA N N 39 123.970 123.970 123.903 0.067 18329 5615 1 7 . 1 1 16 16 ALA HA H 39 3.630 3.630 3.712 -0.082 18329 5616 1 7 . 1 1 16 16 ALA C C 39 179.500 179.500 178.615 0.885 18329 5617 1 7 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.379 0.321 18329 5618 1 7 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.332 -0.332 18329 5619 1 7 . 1 1 16 16 ALA H H 39 8.280 8.280 7.635 0.645 18329 5620 1 7 . 1 1 17 17 LYS N N 40 121.690 121.690 118.696 2.994 18329 5621 1 7 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.008 0.082 18329 5622 1 7 . 1 1 17 17 LYS C C 40 178.000 178.000 178.083 -0.083 18329 5623 1 7 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.132 -0.731 18329 5624 1 7 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.390 -0.590 18329 5625 1 7 . 1 1 17 17 LYS H H 40 7.930 7.930 8.111 -0.181 18329 5626 1 7 . 1 1 18 18 ASP N N 41 118.730 118.730 119.143 -0.413 18329 5627 1 7 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.451 -0.091 18329 5628 1 7 . 1 1 18 18 ASP C C 41 179.900 179.900 178.547 1.353 18329 5629 1 7 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.841 0.859 18329 5630 1 7 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.188 -0.588 18329 5631 1 7 . 1 1 18 18 ASP H H 41 8.320 8.320 7.780 0.540 18329 5632 1 7 . 1 1 19 19 ILE N N 42 118.180 118.180 119.193 -1.013 18329 5633 1 7 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.709 -0.019 18329 5634 1 7 . 1 1 19 19 ILE C C 42 177.400 177.400 177.631 -0.231 18329 5635 1 7 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.675 -0.475 18329 5636 1 7 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.632 0.268 18329 5637 1 7 . 1 1 19 19 ILE H H 42 7.420 7.420 7.369 0.051 18329 5638 1 7 . 1 1 20 20 THR N N 43 113.360 113.360 110.770 2.590 18329 5639 1 7 . 1 1 20 20 THR HA H 43 3.770 3.770 3.945 -0.175 18329 5640 1 7 . 1 1 20 20 THR C C 43 177.800 177.800 176.193 1.607 18329 5641 1 7 . 1 1 20 20 THR CA C 43 66.400 66.400 65.548 0.852 18329 5642 1 7 . 1 1 20 20 THR CB C 43 67.400 67.400 68.418 -1.018 18329 5643 1 7 . 1 1 20 20 THR H H 43 7.610 7.610 7.479 0.131 18329 5644 1 7 . 1 1 21 21 ASP N N 44 123.650 123.650 121.782 1.868 18329 5645 1 7 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.359 0.051 18329 5646 1 7 . 1 1 21 21 ASP C C 44 179.200 179.200 178.209 0.991 18329 5647 1 7 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.207 -0.007 18329 5648 1 7 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.600 -1.000 18329 5649 1 7 . 1 1 21 21 ASP H H 44 9.260 9.260 7.867 1.393 18329 5650 1 7 . 1 1 22 22 GLU N N 45 123.560 123.560 119.720 3.840 18329 5651 1 7 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.117 0.253 18329 5652 1 7 . 1 1 22 22 GLU C C 45 178.500 178.500 179.181 -0.681 18329 5653 1 7 . 1 1 22 22 GLU CA C 45 58.200 58.200 59.023 -0.823 18329 5654 1 7 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.775 -0.575 18329 5655 1 7 . 1 1 22 22 GLU H H 45 7.750 7.750 7.947 -0.197 18329 5656 1 7 . 1 1 23 23 ILE N N 46 119.940 119.940 114.162 5.778 18329 5657 1 7 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.834 -0.214 18329 5658 1 7 . 1 1 23 23 ILE C C 46 177.600 177.600 177.647 -0.047 18329 5659 1 7 . 1 1 23 23 ILE CA C 46 65.600 65.600 63.846 1.754 18329 5660 1 7 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.498 -0.498 18329 5661 1 7 . 1 1 23 23 ILE H H 46 8.360 8.360 7.312 1.048 18329 5662 1 7 . 1 1 24 24 ASP N N 47 120.730 120.730 121.436 -0.706 18329 5663 1 7 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.267 0.133 18329 5664 1 7 . 1 1 24 24 ASP C C 47 178.900 178.900 177.942 0.958 18329 5665 1 7 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.409 0.091 18329 5666 1 7 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.902 -1.002 18329 5667 1 7 . 1 1 24 24 ASP H H 47 8.280 8.280 8.110 0.170 18329 5668 1 7 . 1 1 25 25 ALA N N 48 123.870 123.870 121.066 2.804 18329 5669 1 7 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.051 0.069 18329 5670 1 7 . 1 1 25 25 ALA C C 48 180.400 180.400 179.595 0.805 18329 5671 1 7 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.803 0.697 18329 5672 1 7 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.264 -0.464 18329 5673 1 7 . 1 1 25 25 ALA H H 48 7.880 7.880 7.613 0.267 18329 5674 1 7 . 1 1 26 26 ILE N N 49 121.970 121.970 118.216 3.754 18329 5675 1 7 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.590 0.140 18329 5676 1 7 . 1 1 26 26 ILE C C 49 178.400 178.400 177.820 0.580 18329 5677 1 7 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.931 0.969 18329 5678 1 7 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.511 -0.011 18329 5679 1 7 . 1 1 26 26 ILE H H 49 8.710 8.710 7.463 1.247 18329 5680 1 7 . 1 1 27 27 LYS N N 50 119.820 119.820 119.942 -0.122 18329 5681 1 7 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.712 0.168 18329 5682 1 7 . 1 1 27 27 LYS C C 50 179.900 179.900 179.311 0.589 18329 5683 1 7 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.189 1.211 18329 5684 1 7 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.608 0.292 18329 5685 1 7 . 1 1 27 27 LYS H H 50 8.540 8.540 7.750 0.790 18329 5686 1 7 . 1 1 28 28 LYS N N 51 121.960 121.960 118.555 3.405 18329 5687 1 7 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.050 0.040 18329 5688 1 7 . 1 1 28 28 LYS C C 51 179.200 179.200 179.036 0.164 18329 5689 1 7 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.046 0.254 18329 5690 1 7 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.035 -0.635 18329 5691 1 7 . 1 1 28 28 LYS H H 51 8.070 8.070 7.379 0.691 18329 5692 1 7 . 1 1 29 29 ASP N N 52 121.710 121.710 119.475 2.235 18329 5693 1 7 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.486 -0.016 18329 5694 1 7 . 1 1 29 29 ASP C C 52 178.500 178.500 178.885 -0.385 18329 5695 1 7 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.750 0.250 18329 5696 1 7 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.837 0.162 18329 5697 1 7 . 1 1 29 29 ASP H H 52 8.340 8.340 7.788 0.552 18329 5698 1 7 . 1 1 30 30 ALA N N 53 121.990 121.990 121.717 0.273 18329 5699 1 7 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.180 -0.840 18329 5700 1 7 . 1 1 30 30 ALA C C 53 179.500 179.500 179.043 0.457 18329 5701 1 7 . 1 1 30 30 ALA CA C 53 55.100 55.100 55.041 0.059 18329 5702 1 7 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.421 -0.321 18329 5703 1 7 . 1 1 30 30 ALA H H 53 8.800 8.800 8.470 0.330 18329 5704 1 7 . 1 1 31 31 ALA N N 54 119.970 119.970 119.882 0.088 18329 5705 1 7 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.096 0.054 18329 5706 1 7 . 1 1 31 31 ALA C C 54 181.600 181.600 179.126 2.474 18329 5707 1 7 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.334 0.366 18329 5708 1 7 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.326 -0.526 18329 5709 1 7 . 1 1 31 31 ALA H H 54 7.730 7.730 7.301 0.429 18329 5710 1 7 . 1 1 32 32 LEU N N 55 119.660 119.660 117.597 2.063 18329 5711 1 7 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.064 0.076 18329 5712 1 7 . 1 1 32 32 LEU C C 55 179.100 179.100 177.294 1.806 18329 5713 1 7 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.824 0.176 18329 5714 1 7 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.937 -0.037 18329 5715 1 7 . 1 1 32 32 LEU H H 55 7.660 7.660 7.419 0.241 18329 5716 1 7 . 1 1 33 33 LYS N N 56 117.160 117.160 118.021 -0.861 18329 5717 1 7 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.386 -0.176 18329 5718 1 7 . 1 1 33 33 LYS C C 56 176.600 176.600 176.659 -0.059 18329 5719 1 7 . 1 1 33 33 LYS CA C 56 56.100 56.100 55.297 0.803 18329 5720 1 7 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.254 -0.054 18329 5721 1 7 . 1 1 33 33 LYS H H 56 7.610 7.610 7.209 0.401 18329 5722 1 7 . 1 1 34 34 GLY N N 57 108.680 108.680 112.133 -3.453 18329 5723 1 7 . 1 1 34 34 GLY C C 57 174.400 174.400 173.885 0.515 18329 5724 1 7 . 1 1 34 34 GLY CA C 57 46.200 46.200 44.949 1.251 18329 5725 1 7 . 1 1 34 34 GLY H H 57 7.710 7.710 8.610 -0.900 18329 5726 1 7 . 1 1 35 35 VAL N N 58 121.000 121.000 121.680 -0.680 18329 5727 1 7 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.048 -0.148 18329 5728 1 7 . 1 1 35 35 VAL C C 58 174.200 174.200 176.167 -1.967 18329 5729 1 7 . 1 1 35 35 VAL CA C 58 61.500 61.500 61.497 0.003 18329 5730 1 7 . 1 1 35 35 VAL CB C 58 32.800 32.800 33.386 -0.587 18329 5731 1 7 . 1 1 35 35 VAL H H 58 7.990 7.990 7.697 0.293 18329 5732 1 7 . 1 1 36 36 ASN N N 59 124.960 124.960 125.851 -0.891 18329 5733 1 7 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.721 -0.051 18329 5734 1 7 . 1 1 36 36 ASN C C 59 175.700 175.700 175.873 -0.173 18329 5735 1 7 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.214 -1.614 18329 5736 1 7 . 1 1 36 36 ASN CB C 59 39.100 39.100 36.854 2.246 18329 5737 1 7 . 1 1 36 36 ASN H H 59 8.460 8.460 8.928 -0.468 18329 5738 1 7 . 1 1 37 37 PHE N N 60 124.460 124.460 124.010 0.450 18329 5739 1 7 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.093 0.047 18329 5740 1 7 . 1 1 37 37 PHE C C 60 177.000 177.000 175.002 1.998 18329 5741 1 7 . 1 1 37 37 PHE CA C 60 60.400 60.400 60.771 -0.371 18329 5742 1 7 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.653 -0.453 18329 5743 1 7 . 1 1 37 37 PHE H H 60 8.780 8.780 8.395 0.385 18329 5744 1 7 . 1 1 38 38 ASP N N 61 119.270 119.270 116.180 3.090 18329 5745 1 7 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.654 -0.164 18329 5746 1 7 . 1 1 38 38 ASP C C 61 177.000 177.000 175.840 1.160 18329 5747 1 7 . 1 1 38 38 ASP CA C 61 55.500 55.500 54.277 1.223 18329 5748 1 7 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.490 -0.490 18329 5749 1 7 . 1 1 38 38 ASP H H 61 8.400 8.400 8.522 -0.122 18329 5750 1 7 . 1 1 39 39 ALA N N 62 122.020 122.020 122.326 -0.306 18329 5751 1 7 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.101 0.099 18329 5752 1 7 . 1 1 39 39 ALA C C 62 178.300 178.300 175.541 2.759 18329 5753 1 7 . 1 1 39 39 ALA CA C 62 52.900 52.900 53.081 -0.181 18329 5754 1 7 . 1 1 39 39 ALA CB C 62 18.500 18.500 19.100 -0.600 18329 5755 1 7 . 1 1 39 39 ALA H H 62 7.740 7.740 7.165 0.575 18329 5756 1 7 . 1 1 40 40 PHE N N 63 116.940 116.940 119.904 -2.964 18329 5757 1 7 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.473 -0.093 18329 5758 1 7 . 1 1 40 40 PHE C C 63 176.100 176.100 174.260 1.840 18329 5759 1 7 . 1 1 40 40 PHE CA C 63 58.300 58.300 57.704 0.596 18329 5760 1 7 . 1 1 40 40 PHE CB C 63 38.800 38.800 41.654 -2.854 18329 5761 1 7 . 1 1 40 40 PHE H H 63 7.730 7.730 8.148 -0.418 18329 5762 1 7 . 1 1 41 41 LYS N N 64 119.840 119.840 124.428 -4.588 18329 5763 1 7 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.426 -0.206 18329 5764 1 7 . 1 1 41 41 LYS C C 64 176.100 176.100 176.395 -0.295 18329 5765 1 7 . 1 1 41 41 LYS CA C 64 56.600 56.600 56.111 0.488 18329 5766 1 7 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.274 -0.374 18329 5767 1 7 . 1 1 41 41 LYS H H 64 7.650 7.650 8.158 -0.508 18329 5768 1 7 . 1 1 42 42 ASP N N 65 120.770 120.770 120.938 -0.168 18329 5769 1 7 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.410 0.160 18329 5770 1 7 . 1 1 42 42 ASP C C 65 176.100 176.100 175.692 0.408 18329 5771 1 7 . 1 1 42 42 ASP CA C 65 54.200 54.200 55.547 -1.347 18329 5772 1 7 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.167 -0.267 18329 5773 1 7 . 1 1 42 42 ASP H H 65 8.030 8.030 8.528 -0.498 18329 5774 1 7 . 1 1 43 43 LYS N N 66 122.070 122.070 116.843 5.227 18329 5775 1 7 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.366 -0.086 18329 5776 1 7 . 1 1 43 43 LYS C C 66 176.800 176.800 175.294 1.506 18329 5777 1 7 . 1 1 43 43 LYS CA C 66 56.500 56.500 55.538 0.962 18329 5778 1 7 . 1 1 43 43 LYS CB C 66 32.800 32.800 34.407 -1.607 18329 5779 1 7 . 1 1 43 43 LYS H H 66 8.180 8.180 7.540 0.640 18329 5780 1 7 . 1 1 44 44 LYS N N 67 122.170 122.170 124.354 -2.184 18329 5781 1 7 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.563 -0.213 18329 5782 1 7 . 1 1 44 44 LYS C C 67 177.000 177.000 175.957 1.043 18329 5783 1 7 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.178 0.422 18329 5784 1 7 . 1 1 44 44 LYS CB C 67 32.800 32.800 32.002 0.798 18329 5785 1 7 . 1 1 44 44 LYS H H 67 8.460 8.460 8.589 -0.129 18329 5786 1 7 . 1 1 45 45 THR N N 68 114.390 114.390 115.346 -0.956 18329 5787 1 7 . 1 1 45 45 THR HA H 68 4.330 4.330 4.668 -0.338 18329 5788 1 7 . 1 1 45 45 THR C C 68 175.200 175.200 174.385 0.815 18329 5789 1 7 . 1 1 45 45 THR CA C 68 62.000 62.000 60.949 1.052 18329 5790 1 7 . 1 1 45 45 THR CB C 68 69.900 69.900 70.568 -0.668 18329 5791 1 7 . 1 1 45 45 THR H H 68 8.120 8.120 8.317 -0.197 18329 5792 1 7 . 1 1 46 46 GLY N N 69 111.200 111.200 112.838 -1.638 18329 5793 1 7 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.098 0.102 18329 5794 1 7 . 1 1 46 46 GLY H H 69 8.450 8.450 8.583 -0.133 18329 5795 1 7 . 1 1 47 47 SER CA C 70 58.400 58.400 57.123 1.277 18329 5796 1 7 . 1 1 47 47 SER CB C 70 64.000 64.000 64.296 -0.296 18329 5797 1 7 . 1 1 48 48 GLY N N 71 111.200 111.200 108.565 2.635 18329 5798 1 7 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.675 -1.675 18329 5799 1 7 . 1 1 48 48 GLY H H 71 8.580 8.580 8.659 -0.079 18329 5800 1 7 . 1 1 49 49 VAL N N 72 118.910 118.910 120.861 -1.951 18329 5801 1 7 . 1 1 49 49 VAL HA H 72 4.130 4.130 3.883 0.247 18329 5802 1 7 . 1 1 49 49 VAL C C 72 176.100 176.100 176.664 -0.564 18329 5803 1 7 . 1 1 49 49 VAL CA C 72 62.100 62.100 63.692 -1.592 18329 5804 1 7 . 1 1 49 49 VAL CB C 72 32.500 32.500 31.853 0.647 18329 5805 1 7 . 1 1 49 49 VAL H H 72 7.860 7.860 7.399 0.461 18329 5806 1 7 . 1 1 50 50 SER N N 73 118.500 118.500 113.891 4.609 18329 5807 1 7 . 1 1 50 50 SER C C 73 176.100 176.100 174.995 1.105 18329 5808 1 7 . 1 1 50 50 SER CA C 73 58.300 58.300 60.906 -2.606 18329 5809 1 7 . 1 1 50 50 SER CB C 73 63.800 63.800 61.845 1.955 18329 5810 1 7 . 1 1 50 50 SER H H 73 8.300 8.300 8.597 -0.297 18329 5811 1 7 . 1 1 51 51 GLU N N 74 122.560 122.560 121.554 1.006 18329 5812 1 7 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.637 -0.367 18329 5813 1 7 . 1 1 51 51 GLU CA C 74 55.700 55.700 55.504 0.196 18329 5814 1 7 . 1 1 51 51 GLU CB C 74 30.500 30.500 30.836 -0.336 18329 5815 1 7 . 1 1 51 51 GLU H H 74 8.360 8.360 8.646 -0.286 18329 5816 1 7 . 1 1 52 52 ASN N N 75 122.830 122.830 115.836 6.994 18329 5817 1 7 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.584 0.236 18329 5818 1 7 . 1 1 52 52 ASN C C 75 174.800 174.800 173.497 1.303 18329 5819 1 7 . 1 1 52 52 ASN CA C 75 51.400 51.400 53.437 -2.037 18329 5820 1 7 . 1 1 52 52 ASN CB C 75 39.200 39.200 36.817 2.383 18329 5821 1 7 . 1 1 52 52 ASN H H 75 8.450 8.450 7.338 1.112 18329 5822 1 7 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.442 -0.262 18329 5823 1 7 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.190 1.010 18329 5824 1 7 . 1 1 53 53 PRO CB C 76 32.000 32.000 32.009 -0.009 18329 5825 1 7 . 1 1 54 54 PHE N N 77 118.060 118.060 120.071 -2.011 18329 5826 1 7 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.334 -0.064 18329 5827 1 7 . 1 1 54 54 PHE C C 77 177.500 177.500 176.636 0.864 18329 5828 1 7 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.219 0.281 18329 5829 1 7 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.454 -0.054 18329 5830 1 7 . 1 1 54 54 PHE H H 77 8.430 8.430 7.869 0.561 18329 5831 1 7 . 1 1 55 55 ILE N N 78 119.350 119.350 119.121 0.229 18329 5832 1 7 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.779 -0.279 18329 5833 1 7 . 1 1 55 55 ILE C C 78 177.400 177.400 176.894 0.506 18329 5834 1 7 . 1 1 55 55 ILE CA C 78 63.500 63.500 63.470 0.030 18329 5835 1 7 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.834 -0.834 18329 5836 1 7 . 1 1 55 55 ILE H H 78 7.540 7.540 7.881 -0.341 18329 5837 1 7 . 1 1 56 56 LEU N N 79 118.450 118.450 118.355 0.095 18329 5838 1 7 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.020 0.130 18329 5839 1 7 . 1 1 56 56 LEU C C 79 179.200 179.200 179.186 0.014 18329 5840 1 7 . 1 1 56 56 LEU CA C 79 57.800 57.800 57.576 0.224 18329 5841 1 7 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.784 -0.684 18329 5842 1 7 . 1 1 56 56 LEU H H 79 7.260 7.260 7.425 -0.165 18329 5843 1 7 . 1 1 57 57 GLU N N 80 117.980 117.980 118.630 -0.650 18329 5844 1 7 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.966 -0.316 18329 5845 1 7 . 1 1 57 57 GLU C C 80 178.700 178.700 178.807 -0.107 18329 5846 1 7 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.871 0.429 18329 5847 1 7 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.074 0.426 18329 5848 1 7 . 1 1 57 57 GLU H H 80 7.890 7.890 7.710 0.180 18329 5849 1 7 . 1 1 58 58 ALA N N 81 122.040 122.040 122.635 -0.595 18329 5850 1 7 . 1 1 58 58 ALA HA H 81 3.800 3.800 4.006 -0.206 18329 5851 1 7 . 1 1 58 58 ALA C C 81 179.500 179.500 178.744 0.756 18329 5852 1 7 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.785 0.415 18329 5853 1 7 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.174 0.626 18329 5854 1 7 . 1 1 58 58 ALA H H 81 8.400 8.400 7.580 0.820 18329 5855 1 7 . 1 1 59 59 LYS N N 82 116.000 116.000 117.758 -1.758 18329 5856 1 7 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.069 -0.219 18329 5857 1 7 . 1 1 59 59 LYS C C 82 180.300 180.300 178.612 1.688 18329 5858 1 7 . 1 1 59 59 LYS CA C 82 61.100 61.100 58.819 2.281 18329 5859 1 7 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.236 -0.036 18329 5860 1 7 . 1 1 59 59 LYS H H 82 8.000 8.000 7.530 0.470 18329 5861 1 7 . 1 1 60 60 VAL N N 83 122.920 122.920 119.960 2.960 18329 5862 1 7 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.635 -0.305 18329 5863 1 7 . 1 1 60 60 VAL C C 83 178.300 178.300 178.194 0.106 18329 5864 1 7 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.885 2.015 18329 5865 1 7 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.660 -0.460 18329 5866 1 7 . 1 1 60 60 VAL H H 83 8.110 8.110 7.910 0.200 18329 5867 1 7 . 1 1 61 61 ARG N N 84 121.770 121.770 119.302 2.468 18329 5868 1 7 . 1 1 61 61 ARG C C 84 179.500 179.500 178.554 0.946 18329 5869 1 7 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.363 -0.163 18329 5870 1 7 . 1 1 61 61 ARG CB C 84 30.800 30.800 30.038 0.762 18329 5871 1 7 . 1 1 61 61 ARG H H 84 8.710 8.710 7.419 1.291 18329 5872 1 7 . 1 1 62 62 ALA N N 85 119.450 119.450 120.737 -1.287 18329 5873 1 7 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.251 -0.361 18329 5874 1 7 . 1 1 62 62 ALA C C 85 179.500 179.500 179.069 0.431 18329 5875 1 7 . 1 1 62 62 ALA CA C 85 55.000 55.000 54.877 0.123 18329 5876 1 7 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.618 0.382 18329 5877 1 7 . 1 1 62 62 ALA H H 85 8.700 8.700 7.637 1.063 18329 5878 1 7 . 1 1 63 63 THR N N 86 106.650 106.650 110.366 -3.716 18329 5879 1 7 . 1 1 63 63 THR HA H 86 3.970 3.970 4.235 -0.265 18329 5880 1 7 . 1 1 63 63 THR C C 86 177.700 177.700 176.790 0.910 18329 5881 1 7 . 1 1 63 63 THR CA C 86 66.000 66.000 65.529 0.471 18329 5882 1 7 . 1 1 63 63 THR CB C 86 68.200 68.200 68.367 -0.167 18329 5883 1 7 . 1 1 63 63 THR H H 86 8.150 8.150 7.850 0.300 18329 5884 1 7 . 1 1 64 64 THR N N 87 120.430 120.430 120.680 -0.250 18329 5885 1 7 . 1 1 64 64 THR HA H 87 4.050 4.050 4.084 -0.034 18329 5886 1 7 . 1 1 64 64 THR C C 87 176.800 176.800 176.091 0.709 18329 5887 1 7 . 1 1 64 64 THR CA C 87 67.300 67.300 67.676 -0.376 18329 5888 1 7 . 1 1 64 64 THR CB C 87 68.600 68.600 68.375 0.225 18329 5889 1 7 . 1 1 64 64 THR H H 87 7.920 7.920 7.610 0.310 18329 5890 1 7 . 1 1 65 65 VAL N N 88 119.230 119.230 120.400 -1.170 18329 5891 1 7 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.867 0.113 18329 5892 1 7 . 1 1 65 65 VAL C C 88 178.500 178.500 176.749 1.751 18329 5893 1 7 . 1 1 65 65 VAL CA C 88 65.600 65.600 64.885 0.715 18329 5894 1 7 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.522 0.178 18329 5895 1 7 . 1 1 65 65 VAL H H 88 7.380 7.380 7.350 0.030 18329 5896 1 7 . 1 1 66 66 ALA N N 89 124.260 124.260 121.618 2.642 18329 5897 1 7 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.922 0.328 18329 5898 1 7 . 1 1 66 66 ALA C C 89 179.900 179.900 179.128 0.772 18329 5899 1 7 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.673 -0.773 18329 5900 1 7 . 1 1 66 66 ALA CB C 89 19.500 19.500 17.964 1.536 18329 5901 1 7 . 1 1 66 66 ALA H H 89 8.390 8.390 7.729 0.661 18329 5902 1 7 . 1 1 67 67 GLU N N 90 120.180 120.180 117.715 2.465 18329 5903 1 7 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.994 -0.274 18329 5904 1 7 . 1 1 67 67 GLU C C 90 177.600 177.600 178.838 -1.238 18329 5905 1 7 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.409 0.491 18329 5906 1 7 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.003 -0.703 18329 5907 1 7 . 1 1 67 67 GLU H H 90 8.520 8.520 7.955 0.565 18329 5908 1 7 . 1 1 68 68 LYS N N 91 116.340 116.340 119.614 -3.274 18329 5909 1 7 . 1 1 68 68 LYS HA H 91 3.960 3.960 3.989 -0.029 18329 5910 1 7 . 1 1 68 68 LYS C C 91 179.200 179.200 179.143 0.057 18329 5911 1 7 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.936 0.864 18329 5912 1 7 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.177 -0.177 18329 5913 1 7 . 1 1 68 68 LYS H H 91 7.210 7.210 7.372 -0.162 18329 5914 1 7 . 1 1 69 69 PHE N N 92 120.990 120.990 120.580 0.410 18329 5915 1 7 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.147 0.363 18329 5916 1 7 . 1 1 69 69 PHE C C 92 175.100 175.100 177.193 -2.093 18329 5917 1 7 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.362 -1.562 18329 5918 1 7 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.269 -0.069 18329 5919 1 7 . 1 1 69 69 PHE H H 92 7.180 7.180 8.041 -0.861 18329 5920 1 7 . 1 1 70 70 VAL N N 93 120.330 120.330 119.307 1.023 18329 5921 1 7 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.522 -0.432 18329 5922 1 7 . 1 1 70 70 VAL C C 93 177.500 177.500 177.870 -0.370 18329 5923 1 7 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.716 0.184 18329 5924 1 7 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.691 -0.291 18329 5925 1 7 . 1 1 70 70 VAL H H 93 7.930 7.930 7.546 0.384 18329 5926 1 7 . 1 1 71 71 ILE N N 94 120.410 120.410 119.258 1.152 18329 5927 1 7 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.531 0.299 18329 5928 1 7 . 1 1 71 71 ILE C C 94 177.700 177.700 177.468 0.232 18329 5929 1 7 . 1 1 71 71 ILE CA C 94 65.000 65.000 65.149 -0.149 18329 5930 1 7 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.236 0.064 18329 5931 1 7 . 1 1 71 71 ILE H H 94 8.180 8.180 7.496 0.684 18329 5932 1 7 . 1 1 72 72 ALA N N 95 122.440 122.440 122.000 0.440 18329 5933 1 7 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.911 0.049 18329 5934 1 7 . 1 1 72 72 ALA C C 95 179.600 179.600 179.507 0.093 18329 5935 1 7 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.002 0.898 18329 5936 1 7 . 1 1 72 72 ALA CB C 95 17.200 17.200 18.018 -0.818 18329 5937 1 7 . 1 1 72 72 ALA H H 95 7.340 7.340 7.554 -0.214 18329 5938 1 7 . 1 1 73 73 ILE N N 96 119.330 119.330 117.917 1.413 18329 5939 1 7 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.667 -0.227 18329 5940 1 7 . 1 1 73 73 ILE C C 96 177.400 177.400 178.046 -0.646 18329 5941 1 7 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.557 -0.757 18329 5942 1 7 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.769 -2.369 18329 5943 1 7 . 1 1 73 73 ILE H H 96 7.820 7.820 7.633 0.187 18329 5944 1 7 . 1 1 74 74 GLU N N 97 118.440 118.440 121.366 -2.926 18329 5945 1 7 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.863 -0.173 18329 5946 1 7 . 1 1 74 74 GLU C C 97 180.500 180.500 178.636 1.864 18329 5947 1 7 . 1 1 74 74 GLU CA C 97 59.700 59.700 60.112 -0.412 18329 5948 1 7 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.276 0.424 18329 5949 1 7 . 1 1 74 74 GLU H H 97 8.380 8.380 7.701 0.679 18329 5950 1 7 . 1 1 75 75 GLU N N 98 120.470 120.470 119.185 1.285 18329 5951 1 7 . 1 1 75 75 GLU HA H 98 3.940 3.940 3.996 -0.056 18329 5952 1 7 . 1 1 75 75 GLU C C 98 180.600 180.600 179.050 1.550 18329 5953 1 7 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.349 0.351 18329 5954 1 7 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.749 0.451 18329 5955 1 7 . 1 1 75 75 GLU H H 98 8.800 8.800 8.220 0.580 18329 5956 1 7 . 1 1 76 76 GLU N N 99 119.230 119.230 119.349 -0.119 18329 5957 1 7 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.122 0.018 18329 5958 1 7 . 1 1 76 76 GLU C C 99 178.900 178.900 178.485 0.415 18329 5959 1 7 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.598 0.002 18329 5960 1 7 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.372 -0.072 18329 5961 1 7 . 1 1 76 76 GLU H H 99 8.840 8.840 8.137 0.703 18329 5962 1 7 . 1 1 77 77 ALA N N 100 121.950 121.950 122.228 -0.278 18329 5963 1 7 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.182 -0.182 18329 5964 1 7 . 1 1 77 77 ALA C C 100 179.000 179.000 179.729 -0.729 18329 5965 1 7 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.414 0.886 18329 5966 1 7 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.084 -1.284 18329 5967 1 7 . 1 1 77 77 ALA H H 100 9.400 9.400 8.011 1.389 18329 5968 1 7 . 1 1 78 78 THR N N 101 111.820 111.820 113.486 -1.666 18329 5969 1 7 . 1 1 78 78 THR HA H 101 3.750 3.750 4.053 -0.303 18329 5970 1 7 . 1 1 78 78 THR CA C 101 67.500 67.500 65.543 1.956 18329 5971 1 7 . 1 1 78 78 THR CB C 101 68.600 68.600 68.573 0.027 18329 5972 1 7 . 1 1 78 78 THR H H 101 7.770 7.770 7.833 -0.063 18329 5973 1 7 . 1 1 79 79 LYS N N 102 122.940 122.940 121.126 1.814 18329 5974 1 7 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.146 -0.056 18329 5975 1 7 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.702 0.498 18329 5976 1 7 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.398 0.102 18329 5977 1 7 . 1 1 79 79 LYS H H 102 7.870 7.870 7.626 0.244 18329 5978 1 7 . 1 1 80 80 LEU N N 103 117.690 117.690 117.001 0.689 18329 5979 1 7 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.500 -0.010 18329 5980 1 7 . 1 1 80 80 LEU C C 103 178.140 178.140 176.239 1.901 18329 5981 1 7 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.268 -0.268 18329 5982 1 7 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.093 1.007 18329 5983 1 7 . 1 1 80 80 LEU H H 103 7.550 7.550 7.734 -0.184 18329 5984 1 7 . 1 1 81 81 LYS N N 104 122.210 122.210 121.802 0.408 18329 5985 1 7 . 1 1 81 81 LYS HA H 104 3.930 3.930 4.187 -0.257 18329 5986 1 7 . 1 1 81 81 LYS C C 104 178.000 178.000 175.775 2.225 18329 5987 1 7 . 1 1 81 81 LYS CA C 104 61.300 61.300 57.554 3.746 18329 5988 1 7 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.048 1.752 18329 5989 1 7 . 1 1 81 81 LYS H H 104 7.500 7.500 7.703 -0.203 18329 5990 1 7 . 1 1 82 82 GLU N N 105 114.920 114.920 124.764 -9.844 18329 5991 1 7 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.347 0.213 18329 5992 1 7 . 1 1 82 82 GLU C C 105 177.900 177.900 175.252 2.648 18329 5993 1 7 . 1 1 82 82 GLU CA C 105 57.660 57.660 56.879 0.781 18329 5994 1 7 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.505 0.895 18329 5995 1 7 . 1 1 82 82 GLU H H 105 8.780 8.780 8.671 0.109 18329 5996 1 7 . 1 1 83 83 THR N N 106 107.260 107.260 107.867 -0.607 18329 5997 1 7 . 1 1 83 83 THR HA H 106 4.550 4.550 4.060 0.490 18329 5998 1 7 . 1 1 83 83 THR C C 106 176.300 176.300 175.379 0.921 18329 5999 1 7 . 1 1 83 83 THR CA C 106 61.900 61.900 62.737 -0.837 18329 6000 1 7 . 1 1 83 83 THR CB C 106 70.400 70.400 67.863 2.537 18329 6001 1 7 . 1 1 83 83 THR H H 106 7.570 7.570 8.207 -0.637 18329 6002 1 7 . 1 1 84 84 GLY N N 107 112.110 112.110 109.876 2.234 18329 6003 1 7 . 1 1 84 84 GLY C C 107 172.800 172.800 174.020 -1.220 18329 6004 1 7 . 1 1 84 84 GLY CA C 107 45.400 45.400 46.565 -1.165 18329 6005 1 7 . 1 1 84 84 GLY H H 107 9.000 9.000 8.386 0.614 18329 6006 1 7 . 1 1 85 85 SER N N 108 119.030 119.030 111.326 7.704 18329 6007 1 7 . 1 1 85 85 SER CA C 108 56.300 56.300 57.438 -1.137 18329 6008 1 7 . 1 1 85 85 SER CB C 108 66.300 66.300 64.026 2.274 18329 6009 1 7 . 1 1 85 85 SER H H 108 8.950 8.950 7.758 1.192 18329 6010 1 7 . 1 1 86 86 SER HA H 109 4.480 4.480 5.028 -0.548 18329 6011 1 7 . 1 1 86 86 SER C C 109 177.000 177.000 176.420 0.580 18329 6012 1 7 . 1 1 86 86 SER CA C 109 61.600 61.600 58.852 2.748 18329 6013 1 7 . 1 1 86 86 SER CB C 109 62.900 62.900 63.763 -0.863 18329 6014 1 7 . 1 1 87 87 GLY N N 110 108.100 108.100 109.915 -1.815 18329 6015 1 7 . 1 1 87 87 GLY C C 110 177.100 177.100 175.577 1.523 18329 6016 1 7 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.300 -0.100 18329 6017 1 7 . 1 1 87 87 GLY H H 110 8.480 8.480 8.363 0.117 18329 6018 1 7 . 1 1 88 88 GLU N N 111 123.040 123.040 121.483 1.557 18329 6019 1 7 . 1 1 88 88 GLU HA H 111 3.690 3.690 3.949 -0.259 18329 6020 1 7 . 1 1 88 88 GLU C C 111 177.700 177.700 178.556 -0.856 18329 6021 1 7 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.521 0.979 18329 6022 1 7 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.280 -0.580 18329 6023 1 7 . 1 1 88 88 GLU H H 111 7.560 7.560 8.464 -0.904 18329 6024 1 7 . 1 1 89 89 PHE N N 112 118.270 118.270 117.206 1.064 18329 6025 1 7 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.408 0.012 18329 6026 1 7 . 1 1 89 89 PHE C C 112 178.600 178.600 178.072 0.528 18329 6027 1 7 . 1 1 89 89 PHE CA C 112 61.100 61.100 60.783 0.317 18329 6028 1 7 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.288 -0.388 18329 6029 1 7 . 1 1 89 89 PHE H H 112 7.200 7.200 7.452 -0.252 18329 6030 1 7 . 1 1 90 90 SER N N 113 115.980 115.980 115.273 0.707 18329 6031 1 7 . 1 1 90 90 SER HA H 113 4.290 4.290 4.220 0.070 18329 6032 1 7 . 1 1 90 90 SER C C 113 178.600 178.600 176.329 2.271 18329 6033 1 7 . 1 1 90 90 SER CA C 113 62.700 62.700 61.608 1.092 18329 6034 1 7 . 1 1 90 90 SER CB C 113 62.800 62.800 62.683 0.117 18329 6035 1 7 . 1 1 90 90 SER H H 113 8.830 8.830 8.048 0.782 18329 6036 1 7 . 1 1 91 91 ALA N N 114 123.130 123.130 122.445 0.685 18329 6037 1 7 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.122 0.258 18329 6038 1 7 . 1 1 91 91 ALA C C 114 181.300 181.300 179.822 1.478 18329 6039 1 7 . 1 1 91 91 ALA CA C 114 54.700 54.700 55.025 -0.325 18329 6040 1 7 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.337 0.063 18329 6041 1 7 . 1 1 91 91 ALA H H 114 7.580 7.580 7.499 0.081 18329 6042 1 7 . 1 1 92 92 MET N N 115 118.700 118.700 117.059 1.641 18329 6043 1 7 . 1 1 92 92 MET HA H 115 3.980 3.980 4.146 -0.166 18329 6044 1 7 . 1 1 92 92 MET C C 115 178.000 178.000 178.656 -0.656 18329 6045 1 7 . 1 1 92 92 MET CA C 115 61.000 61.000 58.914 2.086 18329 6046 1 7 . 1 1 92 92 MET CB C 115 31.400 31.400 32.687 -1.287 18329 6047 1 7 . 1 1 92 92 MET H H 115 7.880 7.880 7.523 0.357 18329 6048 1 7 . 1 1 93 93 TYR N N 116 119.200 119.200 120.817 -1.617 18329 6049 1 7 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.136 0.144 18329 6050 1 7 . 1 1 93 93 TYR C C 116 176.300 176.300 176.864 -0.564 18329 6051 1 7 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.429 0.671 18329 6052 1 7 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.327 -0.027 18329 6053 1 7 . 1 1 93 93 TYR H H 116 7.870 7.870 8.255 -0.385 18329 6054 1 7 . 1 1 94 94 ASP N N 117 120.210 120.210 119.484 0.726 18329 6055 1 7 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.456 -0.266 18329 6056 1 7 . 1 1 94 94 ASP C C 117 179.000 179.000 178.388 0.612 18329 6057 1 7 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.099 0.601 18329 6058 1 7 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.249 -0.249 18329 6059 1 7 . 1 1 94 94 ASP H H 117 8.720 8.720 7.795 0.925 18329 6060 1 7 . 1 1 95 95 LEU N N 118 118.420 118.420 119.679 -1.259 18329 6061 1 7 . 1 1 95 95 LEU HA H 118 4.210 4.210 3.981 0.229 18329 6062 1 7 . 1 1 95 95 LEU C C 118 178.600 178.600 179.081 -0.481 18329 6063 1 7 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.669 0.031 18329 6064 1 7 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.993 1.107 18329 6065 1 7 . 1 1 95 95 LEU H H 118 7.510 7.510 7.783 -0.273 18329 6066 1 7 . 1 1 96 96 MET N N 119 118.470 118.470 118.923 -0.453 18329 6067 1 7 . 1 1 96 96 MET HA H 119 3.990 3.990 4.015 -0.025 18329 6068 1 7 . 1 1 96 96 MET C C 119 177.500 177.500 178.292 -0.792 18329 6069 1 7 . 1 1 96 96 MET CA C 119 60.500 60.500 57.652 2.848 18329 6070 1 7 . 1 1 96 96 MET CB C 119 33.900 33.900 31.349 2.551 18329 6071 1 7 . 1 1 96 96 MET H H 119 7.820 7.820 7.478 0.342 18329 6072 1 7 . 1 1 97 97 PHE N N 120 119.580 119.580 120.404 -0.824 18329 6073 1 7 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.100 -0.290 18329 6074 1 7 . 1 1 97 97 PHE C C 120 178.800 178.800 177.839 0.961 18329 6075 1 7 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.690 0.110 18329 6076 1 7 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.945 0.255 18329 6077 1 7 . 1 1 97 97 PHE H H 120 8.940 8.940 7.606 1.334 18329 6078 1 7 . 1 1 98 98 GLU N N 121 119.940 119.940 119.241 0.699 18329 6079 1 7 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.132 -0.252 18329 6080 1 7 . 1 1 98 98 GLU C C 121 180.800 180.800 178.332 2.468 18329 6081 1 7 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.079 0.721 18329 6082 1 7 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.312 -0.112 18329 6083 1 7 . 1 1 98 98 GLU H H 121 8.690 8.690 8.693 -0.003 18329 6084 1 7 . 1 1 99 99 VAL N N 122 115.350 115.350 117.577 -2.227 18329 6085 1 7 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.763 -0.023 18329 6086 1 7 . 1 1 99 99 VAL C C 122 176.500 176.500 177.149 -0.649 18329 6087 1 7 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.904 -0.404 18329 6088 1 7 . 1 1 99 99 VAL CB C 122 31.300 31.300 32.070 -0.770 18329 6089 1 7 . 1 1 99 99 VAL H H 122 8.210 8.210 7.832 0.378 18329 6090 1 7 . 1 1 100 100 SER N N 123 115.450 115.450 116.079 -0.629 18329 6091 1 7 . 1 1 100 100 SER HA H 123 4.270 4.270 4.075 0.195 18329 6092 1 7 . 1 1 100 100 SER C C 123 174.700 174.700 176.510 -1.810 18329 6093 1 7 . 1 1 100 100 SER CA C 123 62.000 62.000 61.170 0.830 18329 6094 1 7 . 1 1 100 100 SER H H 123 7.520 7.520 8.100 -0.580 18329 6095 1 7 . 1 1 101 101 LYS N N 124 120.310 120.310 122.384 -2.074 18329 6096 1 7 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.203 -0.233 18329 6097 1 7 . 1 1 101 101 LYS C C 124 176.600 176.600 176.282 0.318 18329 6098 1 7 . 1 1 101 101 LYS CA C 124 61.100 61.100 59.795 1.305 18329 6099 1 7 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.240 -1.740 18329 6100 1 7 . 1 1 101 101 LYS H H 124 6.930 6.930 7.489 -0.559 18329 6101 1 7 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.228 0.032 18329 6102 1 7 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.387 -0.187 18329 6103 1 7 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.207 -0.607 18329 6104 1 7 . 1 1 103 103 LEU N N 126 116.020 116.020 117.723 -1.703 18329 6105 1 7 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.015 -0.135 18329 6106 1 7 . 1 1 103 103 LEU C C 126 177.900 177.900 178.897 -0.997 18329 6107 1 7 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.234 0.466 18329 6108 1 7 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.376 0.424 18329 6109 1 7 . 1 1 103 103 LEU H H 126 6.520 6.520 7.428 -0.908 18329 6110 1 7 . 1 1 104 104 GLN N N 127 120.500 120.500 119.610 0.890 18329 6111 1 7 . 1 1 104 104 GLN C C 127 180.600 180.600 177.386 3.214 18329 6112 1 7 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.425 -0.125 18329 6113 1 7 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.362 0.638 18329 6114 1 7 . 1 1 104 104 GLN H H 127 8.160 8.160 7.595 0.565 18329 6115 1 7 . 1 1 105 105 LYS N N 128 120.000 120.000 115.924 4.076 18329 6116 1 7 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.075 -0.025 18329 6117 1 7 . 1 1 105 105 LYS C C 128 177.100 177.100 177.988 -0.888 18329 6118 1 7 . 1 1 105 105 LYS CA C 128 58.500 58.500 57.546 0.954 18329 6119 1 7 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.346 -0.946 18329 6120 1 7 . 1 1 105 105 LYS H H 128 7.810 7.810 7.617 0.193 18329 6121 1 7 . 1 1 106 106 LEU N N 129 118.530 118.530 118.447 0.083 18329 6122 1 7 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.521 -0.551 18329 6123 1 7 . 1 1 106 106 LEU C C 129 175.200 175.200 177.473 -2.273 18329 6124 1 7 . 1 1 106 106 LEU CA C 129 54.500 54.500 55.821 -1.321 18329 6125 1 7 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.280 -0.880 18329 6126 1 7 . 1 1 106 106 LEU H H 129 7.220 7.220 7.473 -0.253 18329 6127 1 7 . 1 1 107 107 GLY N N 130 101.490 101.490 104.081 -2.591 18329 6128 1 7 . 1 1 107 107 GLY C C 130 174.800 174.800 172.649 2.151 18329 6129 1 7 . 1 1 107 107 GLY CA C 130 45.100 45.100 45.018 0.082 18329 6130 1 7 . 1 1 107 107 GLY H H 130 7.560 7.560 8.118 -0.558 18329 6131 1 7 . 1 1 108 108 ILE N N 131 121.340 121.340 116.489 4.851 18329 6132 1 7 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.802 0.348 18329 6133 1 7 . 1 1 108 108 ILE C C 131 174.300 174.300 174.586 -0.286 18329 6134 1 7 . 1 1 108 108 ILE CA C 131 60.400 60.400 62.923 -2.523 18329 6135 1 7 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.796 -2.596 18329 6136 1 7 . 1 1 108 108 ILE H H 131 7.290 7.290 8.306 -1.016 18329 6137 1 7 . 1 1 109 109 GLN N N 132 125.650 125.650 119.472 6.178 18329 6138 1 7 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.334 -0.324 18329 6139 1 7 . 1 1 109 109 GLN C C 132 176.800 176.800 174.818 1.982 18329 6140 1 7 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.721 1.879 18329 6141 1 7 . 1 1 109 109 GLN CB C 132 29.000 29.000 31.272 -2.272 18329 6142 1 7 . 1 1 109 109 GLN H H 132 8.080 8.080 8.366 -0.286 18329 6143 1 7 . 1 1 110 110 GLU N N 133 114.890 114.890 121.451 -6.561 18329 6144 1 7 . 1 1 110 110 GLU HA H 133 4.150 4.150 3.882 0.268 18329 6145 1 7 . 1 1 110 110 GLU C C 133 177.100 177.100 176.671 0.429 18329 6146 1 7 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.843 -0.743 18329 6147 1 7 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.795 -1.495 18329 6148 1 7 . 1 1 110 110 GLU H H 133 9.270 9.270 9.019 0.251 18329 6149 1 7 . 1 1 111 111 MET N N 134 121.210 121.210 117.104 4.106 18329 6150 1 7 . 1 1 111 111 MET HA H 134 4.350 4.350 4.091 0.259 18329 6151 1 7 . 1 1 111 111 MET C C 134 177.500 177.500 177.732 -0.232 18329 6152 1 7 . 1 1 111 111 MET CA C 134 57.900 57.900 58.940 -1.040 18329 6153 1 7 . 1 1 111 111 MET CB C 134 33.300 33.300 32.316 0.985 18329 6154 1 7 . 1 1 111 111 MET H H 134 7.620 7.620 8.436 -0.816 18329 6155 1 7 . 1 1 112 112 THR N N 135 113.170 113.170 115.224 -2.054 18329 6156 1 7 . 1 1 112 112 THR HA H 135 3.920 3.920 3.977 -0.057 18329 6157 1 7 . 1 1 112 112 THR C C 135 176.400 176.400 176.622 -0.222 18329 6158 1 7 . 1 1 112 112 THR CA C 135 65.900 65.900 66.536 -0.636 18329 6159 1 7 . 1 1 112 112 THR CB C 135 68.200 68.200 68.201 -0.001 18329 6160 1 7 . 1 1 112 112 THR H H 135 8.320 8.320 8.129 0.191 18329 6161 1 7 . 1 1 113 113 LYS N N 136 123.440 123.440 122.378 1.062 18329 6162 1 7 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.093 -0.163 18329 6163 1 7 . 1 1 113 113 LYS C C 136 177.600 177.600 179.419 -1.819 18329 6164 1 7 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.400 -1.100 18329 6165 1 7 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.093 -0.093 18329 6166 1 7 . 1 1 113 113 LYS H H 136 8.060 8.060 8.374 -0.314 18329 6167 1 7 . 1 1 114 114 THR N N 137 114.590 114.590 115.672 -1.082 18329 6168 1 7 . 1 1 114 114 THR HA H 137 4.000 4.000 4.011 -0.011 18329 6169 1 7 . 1 1 114 114 THR C C 137 176.800 176.800 176.246 0.554 18329 6170 1 7 . 1 1 114 114 THR CA C 137 67.600 67.600 67.420 0.180 18329 6171 1 7 . 1 1 114 114 THR CB C 137 69.200 69.200 68.743 0.457 18329 6172 1 7 . 1 1 114 114 THR H H 137 7.950 7.950 8.044 -0.094 18329 6173 1 7 . 1 1 115 115 VAL N N 138 119.080 119.080 121.083 -2.003 18329 6174 1 7 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.738 0.082 18329 6175 1 7 . 1 1 115 115 VAL C C 138 176.900 176.900 177.629 -0.729 18329 6176 1 7 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.945 0.855 18329 6177 1 7 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.720 0.780 18329 6178 1 7 . 1 1 115 115 VAL H H 138 7.320 7.320 7.595 -0.275 18329 6179 1 7 . 1 1 116 116 SER N N 139 116.630 116.630 116.209 0.421 18329 6180 1 7 . 1 1 116 116 SER HA H 139 4.680 4.680 4.440 0.240 18329 6181 1 7 . 1 1 116 116 SER C C 139 179.000 179.000 176.764 2.236 18329 6182 1 7 . 1 1 116 116 SER CA C 139 61.400 61.400 61.292 0.108 18329 6183 1 7 . 1 1 116 116 SER CB C 139 62.800 62.800 62.689 0.111 18329 6184 1 7 . 1 1 116 116 SER H H 139 8.990 8.990 8.715 0.275 18329 6185 1 7 . 1 1 117 117 ASP N N 140 124.220 124.220 122.848 1.372 18329 6186 1 7 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.460 -0.100 18329 6187 1 7 . 1 1 117 117 ASP C C 140 179.900 179.900 177.670 2.230 18329 6188 1 7 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.670 0.630 18329 6189 1 7 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.655 -1.155 18329 6190 1 7 . 1 1 117 117 ASP H H 140 9.480 9.480 8.273 1.207 18329 6191 1 7 . 1 1 118 118 ALA N N 141 121.420 121.420 122.105 -0.685 18329 6192 1 7 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.099 0.181 18329 6193 1 7 . 1 1 118 118 ALA C C 141 179.800 179.800 179.040 0.760 18329 6194 1 7 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.978 -0.578 18329 6195 1 7 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.440 0.560 18329 6196 1 7 . 1 1 118 118 ALA H H 141 7.340 7.340 7.224 0.116 18329 6197 1 7 . 1 1 119 119 ALA N N 142 121.680 121.680 120.655 1.025 18329 6198 1 7 . 1 1 119 119 ALA HA H 142 4.130 4.130 3.956 0.174 18329 6199 1 7 . 1 1 119 119 ALA C C 142 178.800 178.800 178.954 -0.154 18329 6200 1 7 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.484 -1.284 18329 6201 1 7 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.091 0.209 18329 6202 1 7 . 1 1 119 119 ALA H H 142 7.890 7.890 7.767 0.123 18329 6203 1 7 . 1 1 120 120 GLU N N 143 117.690 117.690 118.506 -0.816 18329 6204 1 7 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.027 -0.087 18329 6205 1 7 . 1 1 120 120 GLU C C 143 178.100 178.100 178.306 -0.206 18329 6206 1 7 . 1 1 120 120 GLU CA C 143 58.700 58.700 58.732 -0.032 18329 6207 1 7 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.674 -0.174 18329 6208 1 7 . 1 1 120 120 GLU H H 143 7.500 7.500 7.642 -0.142 18329 6209 1 7 . 1 1 121 121 GLU N N 144 115.680 115.680 118.722 -3.042 18329 6210 1 7 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.174 -0.014 18329 6211 1 7 . 1 1 121 121 GLU C C 144 176.100 176.100 177.078 -0.978 18329 6212 1 7 . 1 1 121 121 GLU CA C 144 56.900 56.900 57.947 -1.046 18329 6213 1 7 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.517 0.583 18329 6214 1 7 . 1 1 121 121 GLU H H 144 6.970 6.970 7.566 -0.596 18329 6215 1 7 . 1 1 122 122 ASN N N 145 117.750 117.750 117.093 0.657 18329 6216 1 7 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.070 -0.080 18329 6217 1 7 . 1 1 122 122 ASN C C 145 185.300 185.300 172.808 12.492 18329 6218 1 7 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.819 -0.619 18329 6219 1 7 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.192 1.908 18329 6220 1 7 . 1 1 122 122 ASN H H 145 7.670 7.670 7.867 -0.197 18329 6221 1 7 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.570 0.060 18329 6222 1 7 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.204 -1.204 18329 6223 1 7 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.249 0.051 18329 6224 1 7 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.285 0.155 18329 6225 1 7 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.762 -0.862 18329 6226 1 7 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.871 -3.471 18329 6227 1 7 . 1 1 125 125 THR N N 148 106.090 106.090 114.981 -8.891 18329 6228 1 7 . 1 1 125 125 THR HA H 148 4.530 4.530 4.592 -0.062 18329 6229 1 7 . 1 1 125 125 THR C C 148 174.300 174.300 173.621 0.679 18329 6230 1 7 . 1 1 125 125 THR CA C 148 61.200 61.200 62.141 -0.940 18329 6231 1 7 . 1 1 125 125 THR CB C 148 68.600 68.600 70.639 -2.040 18329 6232 1 7 . 1 1 125 125 THR H H 148 7.800 7.800 8.389 -0.589 18329 6233 1 7 . 1 1 126 126 THR N N 149 108.650 108.650 114.100 -5.450 18329 6234 1 7 . 1 1 126 126 THR HA H 149 4.170 4.170 4.459 -0.289 18329 6235 1 7 . 1 1 126 126 THR C C 149 173.100 173.100 172.846 0.254 18329 6236 1 7 . 1 1 126 126 THR CA C 149 58.800 58.800 60.634 -1.834 18329 6237 1 7 . 1 1 126 126 THR CB C 149 73.100 73.100 72.425 0.675 18329 6238 1 7 . 1 1 126 126 THR H H 149 7.350 7.350 7.252 0.098 18329 6239 1 7 . 1 1 127 127 ALA N N 150 123.270 123.270 123.751 -0.481 18329 6240 1 7 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.216 -0.196 18329 6241 1 7 . 1 1 127 127 ALA CA C 150 55.000 55.000 54.977 0.023 18329 6242 1 7 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.119 0.581 18329 6243 1 7 . 1 1 127 127 ALA H H 150 7.750 7.750 8.639 -0.889 18329 6244 1 7 . 1 1 128 128 GLN N N 151 114.920 114.920 116.499 -1.579 18329 6245 1 7 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.045 -0.295 18329 6246 1 7 . 1 1 128 128 GLN C C 151 178.400 178.400 178.411 -0.011 18329 6247 1 7 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.598 0.202 18329 6248 1 7 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.316 -1.116 18329 6249 1 7 . 1 1 128 128 GLN H H 151 8.300 8.300 8.588 -0.288 18329 6250 1 7 . 1 1 129 129 GLY N N 152 107.280 107.280 108.502 -1.222 18329 6251 1 7 . 1 1 129 129 GLY C C 152 174.900 174.900 176.119 -1.219 18329 6252 1 7 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.999 0.201 18329 6253 1 7 . 1 1 129 129 GLY H H 152 7.920 7.920 7.636 0.284 18329 6254 1 7 . 1 1 130 130 VAL N N 153 119.440 119.440 122.222 -2.782 18329 6255 1 7 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.670 -0.200 18329 6256 1 7 . 1 1 130 130 VAL C C 153 177.700 177.700 177.599 0.101 18329 6257 1 7 . 1 1 130 130 VAL CA C 153 67.800 67.800 66.280 1.520 18329 6258 1 7 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.484 0.216 18329 6259 1 7 . 1 1 130 130 VAL H H 153 7.390 7.390 7.537 -0.147 18329 6260 1 7 . 1 1 131 131 LEU N N 154 118.990 118.990 120.007 -1.017 18329 6261 1 7 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.771 0.139 18329 6262 1 7 . 1 1 131 131 LEU C C 154 180.400 180.400 178.411 1.989 18329 6263 1 7 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.367 -0.068 18329 6264 1 7 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.598 -0.598 18329 6265 1 7 . 1 1 131 131 LEU H H 154 8.640 8.640 7.717 0.923 18329 6266 1 7 . 1 1 132 132 GLU N N 155 120.980 120.980 118.118 2.862 18329 6267 1 7 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.047 0.073 18329 6268 1 7 . 1 1 132 132 GLU C C 155 179.400 179.400 178.973 0.427 18329 6269 1 7 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.234 -0.334 18329 6270 1 7 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.372 -0.172 18329 6271 1 7 . 1 1 132 132 GLU H H 155 8.000 8.000 7.662 0.338 18329 6272 1 7 . 1 1 133 133 ILE N N 156 121.830 121.830 120.059 1.771 18329 6273 1 7 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.879 -0.299 18329 6274 1 7 . 1 1 133 133 ILE C C 156 178.000 178.000 177.984 0.016 18329 6275 1 7 . 1 1 133 133 ILE CA C 156 65.500 65.500 61.534 3.966 18329 6276 1 7 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.687 2.913 18329 6277 1 7 . 1 1 133 133 ILE H H 156 8.040 8.040 7.889 0.151 18329 6278 1 7 . 1 1 134 134 ALA N N 157 121.470 121.470 123.508 -2.038 18329 6279 1 7 . 1 1 134 134 ALA HA H 157 3.900 3.900 4.062 -0.162 18329 6280 1 7 . 1 1 134 134 ALA C C 157 178.800 178.800 179.351 -0.551 18329 6281 1 7 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.205 0.095 18329 6282 1 7 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.279 -0.179 18329 6283 1 7 . 1 1 134 134 ALA H H 157 8.950 8.950 8.647 0.303 18329 6284 1 7 . 1 1 135 135 LYS N N 158 118.470 118.470 119.065 -0.595 18329 6285 1 7 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.972 -0.062 18329 6286 1 7 . 1 1 135 135 LYS C C 158 179.300 179.300 178.516 0.784 18329 6287 1 7 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.880 -0.380 18329 6288 1 7 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.327 -0.927 18329 6289 1 7 . 1 1 135 135 LYS H H 158 8.000 8.000 8.020 -0.020 18329 6290 1 7 . 1 1 136 136 LYS N N 159 118.000 118.000 118.934 -0.934 18329 6291 1 7 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.084 -0.034 18329 6292 1 7 . 1 1 136 136 LYS C C 159 180.200 180.200 179.317 0.883 18329 6293 1 7 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.126 0.374 18329 6294 1 7 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.311 -1.411 18329 6295 1 7 . 1 1 136 136 LYS H H 159 7.530 7.530 7.501 0.029 18329 6296 1 7 . 1 1 137 137 MET N N 160 120.990 120.990 119.494 1.496 18329 6297 1 7 . 1 1 137 137 MET HA H 160 3.800 3.800 4.158 -0.358 18329 6298 1 7 . 1 1 137 137 MET C C 160 177.400 177.400 177.877 -0.477 18329 6299 1 7 . 1 1 137 137 MET CA C 160 60.600 60.600 59.880 0.720 18329 6300 1 7 . 1 1 137 137 MET CB C 160 31.800 31.800 32.783 -0.983 18329 6301 1 7 . 1 1 137 137 MET H H 160 8.660 8.660 7.843 0.817 18329 6302 1 7 . 1 1 138 138 ARG N N 161 119.480 119.480 119.743 -0.263 18329 6303 1 7 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.977 -0.177 18329 6304 1 7 . 1 1 138 138 ARG C C 161 177.900 177.900 178.774 -0.874 18329 6305 1 7 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.771 0.829 18329 6306 1 7 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.214 -0.414 18329 6307 1 7 . 1 1 138 138 ARG H H 161 9.280 9.280 8.432 0.848 18329 6308 1 7 . 1 1 139 139 GLU N N 162 118.700 118.700 118.487 0.213 18329 6309 1 7 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.061 -0.061 18329 6310 1 7 . 1 1 139 139 GLU C C 162 179.100 179.100 178.672 0.428 18329 6311 1 7 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.328 0.472 18329 6312 1 7 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.241 0.259 18329 6313 1 7 . 1 1 139 139 GLU H H 162 8.430 8.430 8.157 0.273 18329 6314 1 7 . 1 1 140 140 LYS N N 163 119.310 119.310 120.411 -1.101 18329 6315 1 7 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.081 0.129 18329 6316 1 7 . 1 1 140 140 LYS C C 163 177.900 177.900 179.151 -1.251 18329 6317 1 7 . 1 1 140 140 LYS CA C 163 58.900 58.900 59.298 -0.398 18329 6318 1 7 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.373 -1.272 18329 6319 1 7 . 1 1 140 140 LYS H H 163 7.440 7.440 7.526 -0.086 18329 6320 1 7 . 1 1 141 141 LEU N N 164 117.630 117.630 119.153 -1.523 18329 6321 1 7 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.010 -0.120 18329 6322 1 7 . 1 1 141 141 LEU C C 164 178.700 178.700 179.052 -0.352 18329 6323 1 7 . 1 1 141 141 LEU CA C 164 58.000 58.000 58.365 -0.366 18329 6324 1 7 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.624 -0.124 18329 6325 1 7 . 1 1 141 141 LEU H H 164 8.180 8.180 7.929 0.251 18329 6326 1 7 . 1 1 142 142 GLN N N 165 117.710 117.710 118.423 -0.713 18329 6327 1 7 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.952 0.358 18329 6328 1 7 . 1 1 142 142 GLN C C 165 179.200 179.200 178.124 1.076 18329 6329 1 7 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.186 -0.686 18329 6330 1 7 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.369 -0.869 18329 6331 1 7 . 1 1 142 142 GLN H H 165 8.730 8.730 8.100 0.630 18329 6332 1 7 . 1 1 143 143 ARG N N 166 121.410 121.410 119.874 1.536 18329 6333 1 7 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.043 0.147 18329 6334 1 7 . 1 1 143 143 ARG C C 166 179.700 179.700 178.721 0.979 18329 6335 1 7 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.502 0.298 18329 6336 1 7 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.989 0.211 18329 6337 1 7 . 1 1 143 143 ARG H H 166 8.050 8.050 7.716 0.334 18329 6338 1 7 . 1 1 144 144 VAL N N 167 120.950 120.950 119.443 1.507 18329 6339 1 7 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.649 0.111 18329 6340 1 7 . 1 1 144 144 VAL C C 167 179.200 179.200 177.400 1.800 18329 6341 1 7 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.849 -0.449 18329 6342 1 7 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.796 0.304 18329 6343 1 7 . 1 1 144 144 VAL H H 167 8.190 8.190 7.727 0.463 18329 6344 1 7 . 1 1 145 145 HIS N N 168 123.520 123.520 118.468 5.052 18329 6345 1 7 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.458 -0.558 18329 6346 1 7 . 1 1 145 145 HIS C C 168 177.100 177.100 177.728 -0.628 18329 6347 1 7 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.344 1.956 18329 6348 1 7 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.206 -0.306 18329 6349 1 7 . 1 1 145 145 HIS H H 168 9.240 9.240 8.349 0.891 18329 6350 1 7 . 1 1 146 146 THR N N 169 115.020 115.020 116.881 -1.861 18329 6351 1 7 . 1 1 146 146 THR HA H 169 3.860 3.860 4.268 -0.408 18329 6352 1 7 . 1 1 146 146 THR C C 169 175.700 175.700 176.599 -0.899 18329 6353 1 7 . 1 1 146 146 THR CA C 169 67.200 67.200 67.183 0.017 18329 6354 1 7 . 1 1 146 146 THR CB C 169 69.300 69.300 68.683 0.617 18329 6355 1 7 . 1 1 146 146 THR H H 169 8.750 8.750 8.565 0.185 18329 6356 1 7 . 1 1 147 147 LYS N N 170 120.300 120.300 120.709 -0.409 18329 6357 1 7 . 1 1 147 147 LYS HA H 170 4.000 4.000 4.051 -0.051 18329 6358 1 7 . 1 1 147 147 LYS C C 170 179.300 179.300 179.113 0.187 18329 6359 1 7 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.416 -0.316 18329 6360 1 7 . 1 1 147 147 LYS CB C 170 31.800 31.800 31.927 -0.127 18329 6361 1 7 . 1 1 147 147 LYS H H 170 8.020 8.020 8.166 -0.146 18329 6362 1 7 . 1 1 148 148 ASN N N 171 117.600 117.600 117.738 -0.138 18329 6363 1 7 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.475 -0.155 18329 6364 1 7 . 1 1 148 148 ASN C C 171 175.400 175.400 177.703 -2.303 18329 6365 1 7 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.639 2.061 18329 6366 1 7 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.325 1.375 18329 6367 1 7 . 1 1 148 148 ASN H H 171 7.810 7.810 7.772 0.038 18329 6368 1 7 . 1 1 149 149 TYR N N 172 121.560 121.560 121.775 -0.215 18329 6369 1 7 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.255 -0.365 18329 6370 1 7 . 1 1 149 149 TYR C C 172 176.900 176.900 177.577 -0.677 18329 6371 1 7 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.644 -0.144 18329 6372 1 7 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.717 0.203 18329 6373 1 7 . 1 1 149 149 TYR H H 172 9.020 9.020 7.812 1.208 18329 6374 1 7 . 1 1 150 150 CYS N N 173 116.050 116.050 117.326 -1.276 18329 6375 1 7 . 1 1 150 150 CYS C C 173 177.100 177.100 176.849 0.251 18329 6376 1 7 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.123 -2.723 18329 6377 1 7 . 1 1 150 150 CYS CB C 173 38.600 38.600 25.833 12.767 18329 6378 1 7 . 1 1 150 150 CYS H H 173 8.810 8.810 8.659 0.151 18329 6379 1 7 . 1 1 151 151 THR N N 174 117.190 117.190 116.738 0.452 18329 6380 1 7 . 1 1 151 151 THR HA H 174 3.880 3.880 4.029 -0.149 18329 6381 1 7 . 1 1 151 151 THR C C 174 176.000 176.000 176.517 -0.517 18329 6382 1 7 . 1 1 151 151 THR CA C 174 66.900 66.900 66.435 0.465 18329 6383 1 7 . 1 1 151 151 THR CB C 174 68.500 68.500 68.317 0.183 18329 6384 1 7 . 1 1 151 151 THR H H 174 7.720 7.720 7.775 -0.055 18329 6385 1 7 . 1 1 152 152 LEU N N 175 123.110 123.110 121.507 1.603 18329 6386 1 7 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.002 -0.192 18329 6387 1 7 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.519 0.481 18329 6388 1 7 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.115 0.385 18329 6389 1 7 . 1 1 152 152 LEU H H 175 7.870 7.870 7.648 0.222 18329 6390 1 7 . 1 1 153 153 LYS N N 176 117.270 117.270 118.295 -1.025 18329 6391 1 7 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.780 -0.080 18329 6392 1 7 . 1 1 153 153 LYS C C 176 179.100 179.100 178.436 0.664 18329 6393 1 7 . 1 1 153 153 LYS CA C 176 56.700 56.700 59.578 -2.878 18329 6394 1 7 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.789 -1.889 18329 6395 1 7 . 1 1 153 153 LYS H H 176 7.900 7.900 7.470 0.430 18329 6396 1 7 . 1 1 154 154 LYS N N 177 119.290 119.290 119.405 -0.115 18329 6397 1 7 . 1 1 154 154 LYS HA H 177 4.260 4.260 3.963 0.297 18329 6398 1 7 . 1 1 154 154 LYS C C 177 178.100 178.100 177.912 0.188 18329 6399 1 7 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.659 -1.859 18329 6400 1 7 . 1 1 154 154 LYS CB C 177 31.800 31.800 32.193 -0.393 18329 6401 1 7 . 1 1 154 154 LYS H H 177 7.540 7.540 7.574 -0.034 18329 6402 1 7 . 1 1 155 155 LYS N N 178 118.910 118.910 118.173 0.737 18329 6403 1 7 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.050 0.000 18329 6404 1 7 . 1 1 155 155 LYS C C 178 178.100 178.100 179.806 -1.706 18329 6405 1 7 . 1 1 155 155 LYS CA C 178 58.000 58.000 59.173 -1.173 18329 6406 1 7 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.457 -0.257 18329 6407 1 7 . 1 1 155 155 LYS H H 178 7.630 7.630 7.777 -0.147 18329 6408 1 7 . 1 1 156 156 GLU N N 179 117.950 117.950 118.806 -0.856 18329 6409 1 7 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.131 -0.021 18329 6410 1 7 . 1 1 156 156 GLU C C 179 176.700 176.700 178.835 -2.135 18329 6411 1 7 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.453 -0.953 18329 6412 1 7 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.741 -0.141 18329 6413 1 7 . 1 1 156 156 GLU H H 179 7.560 7.560 7.762 -0.202 18329 6414 1 7 . 1 1 157 157 ASN N N 180 116.590 116.590 119.364 -2.774 18329 6415 1 7 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.864 -0.144 18329 6416 1 7 . 1 1 157 157 ASN C C 180 175.000 175.000 175.299 -0.299 18329 6417 1 7 . 1 1 157 157 ASN CA C 180 52.700 52.700 52.244 0.456 18329 6418 1 7 . 1 1 157 157 ASN CB C 180 38.800 38.800 36.784 2.016 18329 6419 1 7 . 1 1 157 157 ASN H H 180 7.820 7.820 8.560 -0.740 18329 6420 1 7 . 1 1 158 158 SER HA H 181 4.450 4.450 4.381 0.069 18329 6421 1 7 . 1 1 158 158 SER CA C 181 60.400 60.400 60.415 -0.015 18329 6422 1 7 . 1 1 158 158 SER CB C 181 63.500 63.500 63.326 0.174 18329 6423 1 7 . 1 1 158 158 SER H H 181 8.030 8.030 7.715 0.315 18329 6424 1 7 . 1 1 159 159 THR N N 182 112.800 112.800 117.528 -4.728 18329 6425 1 7 . 1 1 159 159 THR HA H 182 4.380 4.380 4.090 0.290 18329 6426 1 7 . 1 1 159 159 THR C C 182 174.300 174.300 175.091 -0.791 18329 6427 1 7 . 1 1 159 159 THR CA C 182 61.800 61.800 65.313 -3.513 18329 6428 1 7 . 1 1 159 159 THR CB C 182 69.100 69.100 69.059 0.040 18329 6429 1 7 . 1 1 159 159 THR H H 182 8.070 8.070 8.323 -0.253 18329 6430 1 7 . 1 1 160 160 PHE N N 183 123.120 123.120 120.706 2.414 18329 6431 1 7 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.528 -0.088 18329 6432 1 7 . 1 1 160 160 PHE C C 183 175.100 175.100 176.088 -0.988 18329 6433 1 7 . 1 1 160 160 PHE CA C 183 58.900 58.900 57.873 1.027 18329 6434 1 7 . 1 1 160 160 PHE CB C 183 40.000 40.000 39.956 0.044 18329 6435 1 7 . 1 1 160 160 PHE H H 183 7.900 7.900 7.759 0.141 18329 6436 1 7 . 1 1 161 161 THR N N 184 119.330 119.330 120.158 -0.828 18329 6437 1 7 . 1 1 161 161 THR HA H 184 4.190 4.190 4.160 0.030 18329 6438 1 7 . 1 1 161 161 THR CA C 184 60.700 60.700 64.588 -3.888 18329 6439 1 7 . 1 1 161 161 THR CB C 184 70.700 70.700 68.948 1.752 18329 6440 1 7 . 1 1 161 161 THR H H 184 7.810 7.810 8.601 -0.791 18329 6441 1 7 . 1 1 162 162 ASP N N 185 123.190 123.190 119.074 4.116 18329 6442 1 7 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.751 -0.341 18329 6443 1 7 . 1 1 162 162 ASP C C 185 176.900 176.900 176.131 0.769 18329 6444 1 7 . 1 1 162 162 ASP CA C 185 53.900 53.900 53.950 -0.050 18329 6445 1 7 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.392 2.608 18329 6446 1 7 . 1 1 162 162 ASP H H 185 8.000 8.000 8.032 -0.032 18329 6447 1 7 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.059 0.421 18329 6448 1 7 . 1 1 163 163 GLU CA C 186 58.800 58.800 57.145 1.655 18329 6449 1 7 . 1 1 163 163 GLU CB C 186 28.100 28.100 27.728 0.372 18329 6450 1 7 . 1 1 166 166 LYS N N 189 118.150 118.150 122.441 -4.291 18329 6451 1 7 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.465 -0.245 18329 6452 1 7 . 1 1 166 166 LYS C C 189 177.500 177.500 174.146 3.354 18329 6453 1 7 . 1 1 166 166 LYS CA C 189 58.000 58.000 56.476 1.524 18329 6454 1 7 . 1 1 166 166 LYS CB C 189 32.600 32.600 34.246 -1.646 18329 6455 1 7 . 1 1 166 166 LYS H H 189 8.890 8.890 8.046 0.844 18329 6456 1 7 . 1 1 167 167 ASN N N 190 116.210 116.210 123.774 -7.564 18329 6457 1 7 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.756 0.204 18329 6458 1 7 . 1 1 167 167 ASN C C 190 174.900 174.900 175.445 -0.545 18329 6459 1 7 . 1 1 167 167 ASN CA C 190 52.900 52.900 52.960 -0.060 18329 6460 1 7 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.794 -0.394 18329 6461 1 7 . 1 1 167 167 ASN H H 190 8.030 8.030 8.731 -0.701 18329 6462 1 8 . 1 1 2 2 ALA N N 25 125.000 125.000 124.563 0.437 18329 6463 1 8 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.055 0.315 18329 6464 1 8 . 1 1 2 2 ALA CA C 25 52.300 52.300 53.132 -0.832 18329 6465 1 8 . 1 1 2 2 ALA CB C 25 19.700 19.700 18.758 0.942 18329 6466 1 8 . 1 1 2 2 ALA H H 25 8.690 8.690 7.942 0.748 18329 6467 1 8 . 1 1 3 3 GLY N N 26 106.920 106.920 105.689 1.231 18329 6468 1 8 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.449 -1.449 18329 6469 1 8 . 1 1 3 3 GLY H H 26 7.940 7.940 8.677 -0.737 18329 6470 1 8 . 1 1 4 4 LEU N N 27 119.140 119.140 120.292 -1.152 18329 6471 1 8 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.444 -0.034 18329 6472 1 8 . 1 1 4 4 LEU C C 27 177.100 177.100 176.767 0.333 18329 6473 1 8 . 1 1 4 4 LEU CA C 27 54.400 54.400 55.339 -0.939 18329 6474 1 8 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.489 -0.389 18329 6475 1 8 . 1 1 4 4 LEU H H 27 8.210 8.210 7.768 0.442 18329 6476 1 8 . 1 1 5 5 THR N N 28 112.940 112.940 108.453 4.487 18329 6477 1 8 . 1 1 5 5 THR HA H 28 4.650 4.650 4.362 0.288 18329 6478 1 8 . 1 1 5 5 THR C C 28 175.500 175.500 174.258 1.242 18329 6479 1 8 . 1 1 5 5 THR CA C 28 60.100 60.100 61.987 -1.887 18329 6480 1 8 . 1 1 5 5 THR CB C 28 72.600 72.600 69.476 3.124 18329 6481 1 8 . 1 1 5 5 THR H H 28 9.220 9.220 8.407 0.813 18329 6482 1 8 . 1 1 6 6 GLY N N 29 108.230 108.230 109.958 -1.728 18329 6483 1 8 . 1 1 6 6 GLY C C 29 174.800 174.800 174.349 0.451 18329 6484 1 8 . 1 1 6 6 GLY CA C 29 46.000 46.000 44.860 1.140 18329 6485 1 8 . 1 1 6 6 GLY H H 29 8.520 8.520 7.606 0.914 18329 6486 1 8 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.306 -0.266 18329 6487 1 8 . 1 1 7 7 ALA CA C 30 54.800 54.800 54.116 0.684 18329 6488 1 8 . 1 1 7 7 ALA CB C 30 18.200 18.200 18.501 -0.301 18329 6489 1 8 . 1 1 8 8 THR N N 31 116.970 116.970 114.157 2.813 18329 6490 1 8 . 1 1 8 8 THR HA H 31 3.740 3.740 3.996 -0.256 18329 6491 1 8 . 1 1 8 8 THR C C 31 175.300 175.300 176.437 -1.137 18329 6492 1 8 . 1 1 8 8 THR CA C 31 67.000 67.000 65.737 1.264 18329 6493 1 8 . 1 1 8 8 THR CB C 31 68.700 68.700 68.073 0.626 18329 6494 1 8 . 1 1 8 8 THR H H 31 8.110 8.110 8.243 -0.133 18329 6495 1 8 . 1 1 9 9 LYS N N 32 120.540 120.540 122.639 -2.099 18329 6496 1 8 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.040 -0.450 18329 6497 1 8 . 1 1 9 9 LYS C C 32 176.900 176.900 178.792 -1.892 18329 6498 1 8 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.911 -0.112 18329 6499 1 8 . 1 1 9 9 LYS CB C 32 32.400 32.400 32.231 0.169 18329 6500 1 8 . 1 1 9 9 LYS H H 32 6.860 6.860 7.498 -0.638 18329 6501 1 8 . 1 1 10 10 ILE N N 33 115.940 115.940 118.113 -2.173 18329 6502 1 8 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.827 -0.117 18329 6503 1 8 . 1 1 10 10 ILE C C 33 179.000 179.000 178.249 0.751 18329 6504 1 8 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.741 -0.741 18329 6505 1 8 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.709 0.291 18329 6506 1 8 . 1 1 10 10 ILE H H 33 7.380 7.380 7.682 -0.302 18329 6507 1 8 . 1 1 11 11 ARG N N 34 118.350 118.350 120.898 -2.548 18329 6508 1 8 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.054 -0.014 18329 6509 1 8 . 1 1 11 11 ARG C C 34 180.000 180.000 178.673 1.327 18329 6510 1 8 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.761 -0.360 18329 6511 1 8 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.215 0.085 18329 6512 1 8 . 1 1 11 11 ARG H H 34 8.250 8.250 7.759 0.491 18329 6513 1 8 . 1 1 12 12 LEU N N 35 117.420 117.420 119.374 -1.954 18329 6514 1 8 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.145 0.025 18329 6515 1 8 . 1 1 12 12 LEU C C 35 179.000 179.000 178.876 0.124 18329 6516 1 8 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.921 0.079 18329 6517 1 8 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.948 -1.148 18329 6518 1 8 . 1 1 12 12 LEU H H 35 8.340 8.340 8.100 0.240 18329 6519 1 8 . 1 1 13 13 GLU N N 36 117.890 117.890 120.409 -2.519 18329 6520 1 8 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.911 0.109 18329 6521 1 8 . 1 1 13 13 GLU C C 36 180.100 180.100 178.873 1.227 18329 6522 1 8 . 1 1 13 13 GLU CA C 36 60.200 60.200 60.067 0.133 18329 6523 1 8 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.689 -1.389 18329 6524 1 8 . 1 1 13 13 GLU H H 36 8.610 8.610 8.504 0.106 18329 6525 1 8 . 1 1 14 14 ARG N N 37 121.100 121.100 118.643 2.457 18329 6526 1 8 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.096 0.144 18329 6527 1 8 . 1 1 14 14 ARG C C 37 178.100 178.100 179.057 -0.957 18329 6528 1 8 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.493 -0.993 18329 6529 1 8 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.398 -0.198 18329 6530 1 8 . 1 1 14 14 ARG H H 37 7.980 7.980 8.016 -0.036 18329 6531 1 8 . 1 1 15 15 SER N N 38 115.420 115.420 115.193 0.227 18329 6532 1 8 . 1 1 15 15 SER HA H 38 4.380 4.380 4.470 -0.090 18329 6533 1 8 . 1 1 15 15 SER C C 38 177.300 177.300 175.989 1.311 18329 6534 1 8 . 1 1 15 15 SER CA C 38 62.200 62.200 61.389 0.811 18329 6535 1 8 . 1 1 15 15 SER CB C 38 63.200 63.200 62.982 0.218 18329 6536 1 8 . 1 1 15 15 SER H H 38 8.230 8.230 8.145 0.085 18329 6537 1 8 . 1 1 16 16 ALA N N 39 123.970 123.970 123.382 0.588 18329 6538 1 8 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.191 -0.561 18329 6539 1 8 . 1 1 16 16 ALA C C 39 179.500 179.500 179.566 -0.066 18329 6540 1 8 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.618 0.082 18329 6541 1 8 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.540 -0.540 18329 6542 1 8 . 1 1 16 16 ALA H H 39 8.280 8.280 8.251 0.029 18329 6543 1 8 . 1 1 17 17 LYS N N 40 121.690 121.690 119.622 2.068 18329 6544 1 8 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.018 0.072 18329 6545 1 8 . 1 1 17 17 LYS C C 40 178.000 178.000 177.770 0.230 18329 6546 1 8 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.272 -0.872 18329 6547 1 8 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.290 -0.490 18329 6548 1 8 . 1 1 17 17 LYS H H 40 7.930 7.930 8.132 -0.202 18329 6549 1 8 . 1 1 18 18 ASP N N 41 118.730 118.730 118.231 0.499 18329 6550 1 8 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.520 -0.160 18329 6551 1 8 . 1 1 18 18 ASP C C 41 179.900 179.900 178.745 1.155 18329 6552 1 8 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.610 1.090 18329 6553 1 8 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.317 -0.717 18329 6554 1 8 . 1 1 18 18 ASP H H 41 8.320 8.320 7.818 0.502 18329 6555 1 8 . 1 1 19 19 ILE N N 42 118.180 118.180 120.089 -1.909 18329 6556 1 8 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.724 -0.034 18329 6557 1 8 . 1 1 19 19 ILE C C 42 177.400 177.400 177.823 -0.423 18329 6558 1 8 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.327 -0.127 18329 6559 1 8 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.764 0.136 18329 6560 1 8 . 1 1 19 19 ILE H H 42 7.420 7.420 7.689 -0.269 18329 6561 1 8 . 1 1 20 20 THR N N 43 113.360 113.360 112.375 0.985 18329 6562 1 8 . 1 1 20 20 THR HA H 43 3.770 3.770 4.070 -0.300 18329 6563 1 8 . 1 1 20 20 THR C C 43 177.800 177.800 176.435 1.365 18329 6564 1 8 . 1 1 20 20 THR CA C 43 66.400 66.400 65.497 0.903 18329 6565 1 8 . 1 1 20 20 THR CB C 43 67.400 67.400 68.443 -1.043 18329 6566 1 8 . 1 1 20 20 THR H H 43 7.610 7.610 7.539 0.071 18329 6567 1 8 . 1 1 21 21 ASP N N 44 123.650 123.650 121.881 1.769 18329 6568 1 8 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.412 -0.002 18329 6569 1 8 . 1 1 21 21 ASP C C 44 179.200 179.200 178.633 0.567 18329 6570 1 8 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.245 -0.045 18329 6571 1 8 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.134 -0.534 18329 6572 1 8 . 1 1 21 21 ASP H H 44 9.260 9.260 7.987 1.273 18329 6573 1 8 . 1 1 22 22 GLU N N 45 123.560 123.560 119.015 4.545 18329 6574 1 8 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.178 0.192 18329 6575 1 8 . 1 1 22 22 GLU C C 45 178.500 178.500 179.124 -0.624 18329 6576 1 8 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.786 -0.586 18329 6577 1 8 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.745 -0.545 18329 6578 1 8 . 1 1 22 22 GLU H H 45 7.750 7.750 7.823 -0.073 18329 6579 1 8 . 1 1 23 23 ILE N N 46 119.940 119.940 115.040 4.900 18329 6580 1 8 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.826 -0.206 18329 6581 1 8 . 1 1 23 23 ILE C C 46 177.600 177.600 178.163 -0.563 18329 6582 1 8 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.243 1.357 18329 6583 1 8 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.503 -0.503 18329 6584 1 8 . 1 1 23 23 ILE H H 46 8.360 8.360 7.355 1.005 18329 6585 1 8 . 1 1 24 24 ASP N N 47 120.730 120.730 121.860 -1.130 18329 6586 1 8 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.510 -0.110 18329 6587 1 8 . 1 1 24 24 ASP C C 47 178.900 178.900 178.297 0.603 18329 6588 1 8 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.078 0.422 18329 6589 1 8 . 1 1 24 24 ASP CB C 47 39.900 39.900 39.880 0.020 18329 6590 1 8 . 1 1 24 24 ASP H H 47 8.280 8.280 8.418 -0.138 18329 6591 1 8 . 1 1 25 25 ALA N N 48 123.870 123.870 122.302 1.568 18329 6592 1 8 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.108 0.012 18329 6593 1 8 . 1 1 25 25 ALA C C 48 180.400 180.400 179.354 1.046 18329 6594 1 8 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.527 0.973 18329 6595 1 8 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.125 -0.326 18329 6596 1 8 . 1 1 25 25 ALA H H 48 7.880 7.880 7.515 0.365 18329 6597 1 8 . 1 1 26 26 ILE N N 49 121.970 121.970 118.662 3.308 18329 6598 1 8 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.675 0.055 18329 6599 1 8 . 1 1 26 26 ILE C C 49 178.400 178.400 177.124 1.276 18329 6600 1 8 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.256 1.644 18329 6601 1 8 . 1 1 26 26 ILE CB C 49 37.500 37.500 38.154 -0.654 18329 6602 1 8 . 1 1 26 26 ILE H H 49 8.710 8.710 7.354 1.356 18329 6603 1 8 . 1 1 27 27 LYS N N 50 119.820 119.820 118.978 0.842 18329 6604 1 8 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.702 0.178 18329 6605 1 8 . 1 1 27 27 LYS C C 50 179.900 179.900 179.015 0.885 18329 6606 1 8 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.688 0.712 18329 6607 1 8 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.807 0.093 18329 6608 1 8 . 1 1 27 27 LYS H H 50 8.540 8.540 8.086 0.454 18329 6609 1 8 . 1 1 28 28 LYS N N 51 121.960 121.960 117.757 4.203 18329 6610 1 8 . 1 1 28 28 LYS HA H 51 4.090 4.090 4.069 0.021 18329 6611 1 8 . 1 1 28 28 LYS C C 51 179.200 179.200 178.890 0.310 18329 6612 1 8 . 1 1 28 28 LYS CA C 51 59.300 59.300 58.792 0.508 18329 6613 1 8 . 1 1 28 28 LYS CB C 51 31.400 31.400 31.928 -0.528 18329 6614 1 8 . 1 1 28 28 LYS H H 51 8.070 8.070 7.505 0.565 18329 6615 1 8 . 1 1 29 29 ASP N N 52 121.710 121.710 119.872 1.838 18329 6616 1 8 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.531 -0.061 18329 6617 1 8 . 1 1 29 29 ASP C C 52 178.500 178.500 178.702 -0.202 18329 6618 1 8 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.595 0.405 18329 6619 1 8 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.756 0.244 18329 6620 1 8 . 1 1 29 29 ASP H H 52 8.340 8.340 7.747 0.593 18329 6621 1 8 . 1 1 30 30 ALA N N 53 121.990 121.990 122.257 -0.267 18329 6622 1 8 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.179 -0.839 18329 6623 1 8 . 1 1 30 30 ALA C C 53 179.500 179.500 179.687 -0.187 18329 6624 1 8 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.972 0.128 18329 6625 1 8 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.430 -0.330 18329 6626 1 8 . 1 1 30 30 ALA H H 53 8.800 8.800 8.370 0.430 18329 6627 1 8 . 1 1 31 31 ALA N N 54 119.970 119.970 120.267 -0.297 18329 6628 1 8 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.069 0.081 18329 6629 1 8 . 1 1 31 31 ALA C C 54 181.600 181.600 178.879 2.721 18329 6630 1 8 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.195 0.505 18329 6631 1 8 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.404 -0.604 18329 6632 1 8 . 1 1 31 31 ALA H H 54 7.730 7.730 7.583 0.147 18329 6633 1 8 . 1 1 32 32 LEU N N 55 119.660 119.660 117.315 2.345 18329 6634 1 8 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.088 0.052 18329 6635 1 8 . 1 1 32 32 LEU C C 55 179.100 179.100 177.419 1.681 18329 6636 1 8 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.403 0.597 18329 6637 1 8 . 1 1 32 32 LEU CB C 55 41.900 41.900 42.002 -0.102 18329 6638 1 8 . 1 1 32 32 LEU H H 55 7.660 7.660 7.511 0.149 18329 6639 1 8 . 1 1 33 33 LYS N N 56 117.160 117.160 117.627 -0.467 18329 6640 1 8 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.407 -0.197 18329 6641 1 8 . 1 1 33 33 LYS C C 56 176.600 176.600 175.940 0.660 18329 6642 1 8 . 1 1 33 33 LYS CA C 56 56.100 56.100 54.939 1.161 18329 6643 1 8 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.961 -0.761 18329 6644 1 8 . 1 1 33 33 LYS H H 56 7.610 7.610 7.309 0.301 18329 6645 1 8 . 1 1 34 34 GLY N N 57 108.680 108.680 111.920 -3.240 18329 6646 1 8 . 1 1 34 34 GLY C C 57 174.400 174.400 174.025 0.375 18329 6647 1 8 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.563 0.637 18329 6648 1 8 . 1 1 34 34 GLY H H 57 7.710 7.710 8.579 -0.869 18329 6649 1 8 . 1 1 35 35 VAL N N 58 121.000 121.000 120.538 0.462 18329 6650 1 8 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.383 -0.483 18329 6651 1 8 . 1 1 35 35 VAL C C 58 174.200 174.200 175.345 -1.145 18329 6652 1 8 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.035 1.465 18329 6653 1 8 . 1 1 35 35 VAL CB C 58 32.800 32.800 34.476 -1.676 18329 6654 1 8 . 1 1 35 35 VAL H H 58 7.990 7.990 7.535 0.455 18329 6655 1 8 . 1 1 36 36 ASN N N 59 124.960 124.960 119.893 5.067 18329 6656 1 8 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.845 -0.175 18329 6657 1 8 . 1 1 36 36 ASN C C 59 175.700 175.700 174.171 1.529 18329 6658 1 8 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.588 -1.988 18329 6659 1 8 . 1 1 36 36 ASN CB C 59 39.100 39.100 39.049 0.051 18329 6660 1 8 . 1 1 36 36 ASN H H 59 8.460 8.460 8.411 0.049 18329 6661 1 8 . 1 1 37 37 PHE N N 60 124.460 124.460 118.672 5.788 18329 6662 1 8 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.670 -0.530 18329 6663 1 8 . 1 1 37 37 PHE C C 60 177.000 177.000 174.819 2.181 18329 6664 1 8 . 1 1 37 37 PHE CA C 60 60.400 60.400 58.875 1.525 18329 6665 1 8 . 1 1 37 37 PHE CB C 60 39.200 39.200 40.734 -1.534 18329 6666 1 8 . 1 1 37 37 PHE H H 60 8.780 8.780 8.440 0.340 18329 6667 1 8 . 1 1 38 38 ASP N N 61 119.270 119.270 121.354 -2.084 18329 6668 1 8 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.873 -0.383 18329 6669 1 8 . 1 1 38 38 ASP C C 61 177.000 177.000 174.752 2.248 18329 6670 1 8 . 1 1 38 38 ASP CA C 61 55.500 55.500 53.574 1.926 18329 6671 1 8 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.690 -0.690 18329 6672 1 8 . 1 1 38 38 ASP H H 61 8.400 8.400 8.188 0.212 18329 6673 1 8 . 1 1 39 39 ALA N N 62 122.020 122.020 128.615 -6.595 18329 6674 1 8 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.496 -0.296 18329 6675 1 8 . 1 1 39 39 ALA C C 62 178.300 178.300 176.264 2.036 18329 6676 1 8 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.044 0.856 18329 6677 1 8 . 1 1 39 39 ALA CB C 62 18.500 18.500 19.730 -1.230 18329 6678 1 8 . 1 1 39 39 ALA H H 62 7.740 7.740 7.956 -0.216 18329 6679 1 8 . 1 1 40 40 PHE N N 63 116.940 116.940 118.913 -1.973 18329 6680 1 8 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.183 0.197 18329 6681 1 8 . 1 1 40 40 PHE C C 63 176.100 176.100 174.041 2.059 18329 6682 1 8 . 1 1 40 40 PHE CA C 63 58.300 58.300 58.334 -0.034 18329 6683 1 8 . 1 1 40 40 PHE CB C 63 38.800 38.800 38.717 0.083 18329 6684 1 8 . 1 1 40 40 PHE H H 63 7.730 7.730 7.612 0.118 18329 6685 1 8 . 1 1 41 41 LYS N N 64 119.840 119.840 121.339 -1.499 18329 6686 1 8 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.524 -0.304 18329 6687 1 8 . 1 1 41 41 LYS C C 64 176.100 176.100 175.224 0.876 18329 6688 1 8 . 1 1 41 41 LYS CA C 64 56.600 56.600 55.307 1.293 18329 6689 1 8 . 1 1 41 41 LYS CB C 64 32.900 32.900 34.901 -2.001 18329 6690 1 8 . 1 1 41 41 LYS H H 64 7.650 7.650 7.693 -0.043 18329 6691 1 8 . 1 1 42 42 ASP N N 65 120.770 120.770 120.662 0.108 18329 6692 1 8 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.430 0.140 18329 6693 1 8 . 1 1 42 42 ASP C C 65 176.100 176.100 175.191 0.909 18329 6694 1 8 . 1 1 42 42 ASP CA C 65 54.200 54.200 55.071 -0.871 18329 6695 1 8 . 1 1 42 42 ASP CB C 65 40.900 40.900 40.109 0.791 18329 6696 1 8 . 1 1 42 42 ASP H H 65 8.030 8.030 8.560 -0.530 18329 6697 1 8 . 1 1 43 43 LYS N N 66 122.070 122.070 117.589 4.481 18329 6698 1 8 . 1 1 43 43 LYS HA H 66 4.280 4.280 3.982 0.298 18329 6699 1 8 . 1 1 43 43 LYS C C 66 176.800 176.800 174.920 1.880 18329 6700 1 8 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.979 -0.479 18329 6701 1 8 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.960 -0.160 18329 6702 1 8 . 1 1 43 43 LYS H H 66 8.180 8.180 7.815 0.365 18329 6703 1 8 . 1 1 44 44 LYS N N 67 122.170 122.170 124.755 -2.585 18329 6704 1 8 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.159 0.191 18329 6705 1 8 . 1 1 44 44 LYS C C 67 177.000 177.000 176.480 0.520 18329 6706 1 8 . 1 1 44 44 LYS CA C 67 56.600 56.600 57.268 -0.668 18329 6707 1 8 . 1 1 44 44 LYS CB C 67 32.800 32.800 32.841 -0.041 18329 6708 1 8 . 1 1 44 44 LYS H H 67 8.460 8.460 8.383 0.077 18329 6709 1 8 . 1 1 45 45 THR N N 68 114.390 114.390 120.789 -6.399 18329 6710 1 8 . 1 1 45 45 THR HA H 68 4.330 4.330 4.426 -0.096 18329 6711 1 8 . 1 1 45 45 THR C C 68 175.200 175.200 174.963 0.237 18329 6712 1 8 . 1 1 45 45 THR CA C 68 62.000 62.000 62.428 -0.428 18329 6713 1 8 . 1 1 45 45 THR CB C 68 69.900 69.900 69.459 0.441 18329 6714 1 8 . 1 1 45 45 THR H H 68 8.120 8.120 8.200 -0.080 18329 6715 1 8 . 1 1 46 46 GLY N N 69 111.200 111.200 116.319 -5.119 18329 6716 1 8 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.069 0.131 18329 6717 1 8 . 1 1 46 46 GLY H H 69 8.450 8.450 8.617 -0.167 18329 6718 1 8 . 1 1 47 47 SER CA C 70 58.400 58.400 57.060 1.340 18329 6719 1 8 . 1 1 47 47 SER CB C 70 64.000 64.000 66.225 -2.225 18329 6720 1 8 . 1 1 48 48 GLY N N 71 111.200 111.200 109.372 1.828 18329 6721 1 8 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.443 -1.443 18329 6722 1 8 . 1 1 48 48 GLY H H 71 8.580 8.580 8.659 -0.079 18329 6723 1 8 . 1 1 49 49 VAL N N 72 118.910 118.910 120.842 -1.932 18329 6724 1 8 . 1 1 49 49 VAL HA H 72 4.130 4.130 3.872 0.258 18329 6725 1 8 . 1 1 49 49 VAL C C 72 176.100 176.100 175.103 0.997 18329 6726 1 8 . 1 1 49 49 VAL CA C 72 62.100 62.100 62.591 -0.491 18329 6727 1 8 . 1 1 49 49 VAL CB C 72 32.500 32.500 31.841 0.659 18329 6728 1 8 . 1 1 49 49 VAL H H 72 7.860 7.860 7.744 0.116 18329 6729 1 8 . 1 1 50 50 SER N N 73 118.500 118.500 120.577 -2.077 18329 6730 1 8 . 1 1 50 50 SER C C 73 176.100 176.100 173.589 2.511 18329 6731 1 8 . 1 1 50 50 SER CA C 73 58.300 58.300 59.731 -1.431 18329 6732 1 8 . 1 1 50 50 SER CB C 73 63.800 63.800 63.443 0.357 18329 6733 1 8 . 1 1 50 50 SER H H 73 8.300 8.300 8.527 -0.227 18329 6734 1 8 . 1 1 51 51 GLU N N 74 122.560 122.560 121.758 0.802 18329 6735 1 8 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.171 0.099 18329 6736 1 8 . 1 1 51 51 GLU CA C 74 55.700 55.700 56.712 -1.012 18329 6737 1 8 . 1 1 51 51 GLU CB C 74 30.500 30.500 29.938 0.562 18329 6738 1 8 . 1 1 51 51 GLU H H 74 8.360 8.360 8.657 -0.297 18329 6739 1 8 . 1 1 52 52 ASN N N 75 122.830 122.830 117.480 5.350 18329 6740 1 8 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.697 0.123 18329 6741 1 8 . 1 1 52 52 ASN C C 75 174.800 174.800 172.722 2.078 18329 6742 1 8 . 1 1 52 52 ASN CA C 75 51.400 51.400 53.000 -1.600 18329 6743 1 8 . 1 1 52 52 ASN CB C 75 39.200 39.200 37.486 1.714 18329 6744 1 8 . 1 1 52 52 ASN H H 75 8.450 8.450 8.255 0.195 18329 6745 1 8 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.349 -0.169 18329 6746 1 8 . 1 1 53 53 PRO CA C 76 65.200 65.200 63.706 1.494 18329 6747 1 8 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.187 0.813 18329 6748 1 8 . 1 1 54 54 PHE N N 77 118.060 118.060 121.061 -3.001 18329 6749 1 8 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.284 -0.014 18329 6750 1 8 . 1 1 54 54 PHE C C 77 177.500 177.500 176.736 0.764 18329 6751 1 8 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.724 -0.224 18329 6752 1 8 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.912 -0.512 18329 6753 1 8 . 1 1 54 54 PHE H H 77 8.430 8.430 8.154 0.276 18329 6754 1 8 . 1 1 55 55 ILE N N 78 119.350 119.350 119.257 0.093 18329 6755 1 8 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.669 -0.169 18329 6756 1 8 . 1 1 55 55 ILE C C 78 177.400 177.400 176.914 0.486 18329 6757 1 8 . 1 1 55 55 ILE CA C 78 63.500 63.500 63.371 0.129 18329 6758 1 8 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.936 -0.936 18329 6759 1 8 . 1 1 55 55 ILE H H 78 7.540 7.540 7.494 0.046 18329 6760 1 8 . 1 1 56 56 LEU N N 79 118.450 118.450 118.855 -0.405 18329 6761 1 8 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.013 0.137 18329 6762 1 8 . 1 1 56 56 LEU C C 79 179.200 179.200 179.298 -0.098 18329 6763 1 8 . 1 1 56 56 LEU CA C 79 57.800 57.800 57.476 0.324 18329 6764 1 8 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.545 -0.445 18329 6765 1 8 . 1 1 56 56 LEU H H 79 7.260 7.260 7.756 -0.496 18329 6766 1 8 . 1 1 57 57 GLU N N 80 117.980 117.980 118.136 -0.156 18329 6767 1 8 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.867 -0.217 18329 6768 1 8 . 1 1 57 57 GLU C C 80 178.700 178.700 178.090 0.610 18329 6769 1 8 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.812 0.487 18329 6770 1 8 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.179 0.321 18329 6771 1 8 . 1 1 57 57 GLU H H 80 7.890 7.890 7.727 0.163 18329 6772 1 8 . 1 1 58 58 ALA N N 81 122.040 122.040 121.531 0.509 18329 6773 1 8 . 1 1 58 58 ALA HA H 81 3.800 3.800 4.012 -0.212 18329 6774 1 8 . 1 1 58 58 ALA C C 81 179.500 179.500 179.108 0.392 18329 6775 1 8 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.841 0.359 18329 6776 1 8 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.268 0.532 18329 6777 1 8 . 1 1 58 58 ALA H H 81 8.400 8.400 7.488 0.912 18329 6778 1 8 . 1 1 59 59 LYS N N 82 116.000 116.000 116.836 -0.836 18329 6779 1 8 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.027 -0.177 18329 6780 1 8 . 1 1 59 59 LYS C C 82 180.300 180.300 178.043 2.257 18329 6781 1 8 . 1 1 59 59 LYS CA C 82 61.100 61.100 58.842 2.258 18329 6782 1 8 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.319 -0.118 18329 6783 1 8 . 1 1 59 59 LYS H H 82 8.000 8.000 7.443 0.557 18329 6784 1 8 . 1 1 60 60 VAL N N 83 122.920 122.920 119.206 3.714 18329 6785 1 8 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.615 -0.285 18329 6786 1 8 . 1 1 60 60 VAL C C 83 178.300 178.300 177.848 0.452 18329 6787 1 8 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.827 2.073 18329 6788 1 8 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.270 -0.070 18329 6789 1 8 . 1 1 60 60 VAL H H 83 8.110 8.110 7.281 0.829 18329 6790 1 8 . 1 1 61 61 ARG N N 84 121.770 121.770 118.700 3.070 18329 6791 1 8 . 1 1 61 61 ARG C C 84 179.500 179.500 178.570 0.930 18329 6792 1 8 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.227 -0.028 18329 6793 1 8 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.955 0.845 18329 6794 1 8 . 1 1 61 61 ARG H H 84 8.710 8.710 7.517 1.193 18329 6795 1 8 . 1 1 62 62 ALA N N 85 119.450 119.450 122.012 -2.562 18329 6796 1 8 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.074 -0.184 18329 6797 1 8 . 1 1 62 62 ALA C C 85 179.500 179.500 178.985 0.515 18329 6798 1 8 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.378 -0.378 18329 6799 1 8 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.144 0.856 18329 6800 1 8 . 1 1 62 62 ALA H H 85 8.700 8.700 7.652 1.048 18329 6801 1 8 . 1 1 63 63 THR N N 86 106.650 106.650 112.377 -5.727 18329 6802 1 8 . 1 1 63 63 THR HA H 86 3.970 3.970 4.139 -0.169 18329 6803 1 8 . 1 1 63 63 THR C C 86 177.700 177.700 176.197 1.503 18329 6804 1 8 . 1 1 63 63 THR CA C 86 66.000 66.000 65.034 0.966 18329 6805 1 8 . 1 1 63 63 THR CB C 86 68.200 68.200 68.275 -0.075 18329 6806 1 8 . 1 1 63 63 THR H H 86 8.150 8.150 7.703 0.447 18329 6807 1 8 . 1 1 64 64 THR N N 87 120.430 120.430 119.567 0.863 18329 6808 1 8 . 1 1 64 64 THR HA H 87 4.050 4.050 4.127 -0.077 18329 6809 1 8 . 1 1 64 64 THR C C 87 176.800 176.800 176.543 0.257 18329 6810 1 8 . 1 1 64 64 THR CA C 87 67.300 67.300 67.659 -0.359 18329 6811 1 8 . 1 1 64 64 THR CB C 87 68.600 68.600 68.712 -0.112 18329 6812 1 8 . 1 1 64 64 THR H H 87 7.920 7.920 7.643 0.277 18329 6813 1 8 . 1 1 65 65 VAL N N 88 119.230 119.230 120.752 -1.522 18329 6814 1 8 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.725 0.255 18329 6815 1 8 . 1 1 65 65 VAL C C 88 178.500 178.500 177.563 0.937 18329 6816 1 8 . 1 1 65 65 VAL CA C 88 65.600 65.600 66.120 -0.520 18329 6817 1 8 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.482 0.218 18329 6818 1 8 . 1 1 65 65 VAL H H 88 7.380 7.380 7.480 -0.100 18329 6819 1 8 . 1 1 66 66 ALA N N 89 124.260 124.260 121.421 2.839 18329 6820 1 8 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.969 0.281 18329 6821 1 8 . 1 1 66 66 ALA C C 89 179.900 179.900 179.176 0.724 18329 6822 1 8 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.191 -0.291 18329 6823 1 8 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.009 1.491 18329 6824 1 8 . 1 1 66 66 ALA H H 89 8.390 8.390 7.629 0.761 18329 6825 1 8 . 1 1 67 67 GLU N N 90 120.180 120.180 118.318 1.862 18329 6826 1 8 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.887 -0.167 18329 6827 1 8 . 1 1 67 67 GLU C C 90 177.600 177.600 178.779 -1.179 18329 6828 1 8 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.877 0.023 18329 6829 1 8 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.469 -1.169 18329 6830 1 8 . 1 1 67 67 GLU H H 90 8.520 8.520 8.233 0.287 18329 6831 1 8 . 1 1 68 68 LYS N N 91 116.340 116.340 118.114 -1.774 18329 6832 1 8 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.001 -0.041 18329 6833 1 8 . 1 1 68 68 LYS C C 91 179.200 179.200 178.824 0.376 18329 6834 1 8 . 1 1 68 68 LYS CA C 91 59.800 59.800 59.302 0.498 18329 6835 1 8 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.019 -0.019 18329 6836 1 8 . 1 1 68 68 LYS H H 91 7.210 7.210 7.630 -0.420 18329 6837 1 8 . 1 1 69 69 PHE N N 92 120.990 120.990 119.981 1.009 18329 6838 1 8 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.169 0.341 18329 6839 1 8 . 1 1 69 69 PHE C C 92 175.100 175.100 176.934 -1.834 18329 6840 1 8 . 1 1 69 69 PHE CA C 92 59.800 59.800 60.893 -1.093 18329 6841 1 8 . 1 1 69 69 PHE CB C 92 39.200 39.200 38.963 0.237 18329 6842 1 8 . 1 1 69 69 PHE H H 92 7.180 7.180 7.429 -0.249 18329 6843 1 8 . 1 1 70 70 VAL N N 93 120.330 120.330 119.336 0.994 18329 6844 1 8 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.456 -0.366 18329 6845 1 8 . 1 1 70 70 VAL C C 93 177.500 177.500 177.879 -0.379 18329 6846 1 8 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.827 0.073 18329 6847 1 8 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.595 -0.195 18329 6848 1 8 . 1 1 70 70 VAL H H 93 7.930 7.930 7.591 0.339 18329 6849 1 8 . 1 1 71 71 ILE N N 94 120.410 120.410 119.738 0.672 18329 6850 1 8 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.641 0.189 18329 6851 1 8 . 1 1 71 71 ILE C C 94 177.700 177.700 177.889 -0.189 18329 6852 1 8 . 1 1 71 71 ILE CA C 94 65.000 65.000 65.114 -0.114 18329 6853 1 8 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.563 -0.263 18329 6854 1 8 . 1 1 71 71 ILE H H 94 8.180 8.180 7.511 0.669 18329 6855 1 8 . 1 1 72 72 ALA N N 95 122.440 122.440 123.100 -0.660 18329 6856 1 8 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.876 0.084 18329 6857 1 8 . 1 1 72 72 ALA C C 95 179.600 179.600 179.612 -0.012 18329 6858 1 8 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.297 0.603 18329 6859 1 8 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.866 -0.666 18329 6860 1 8 . 1 1 72 72 ALA H H 95 7.340 7.340 7.573 -0.233 18329 6861 1 8 . 1 1 73 73 ILE N N 96 119.330 119.330 118.234 1.096 18329 6862 1 8 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.552 -0.112 18329 6863 1 8 . 1 1 73 73 ILE C C 96 177.400 177.400 177.891 -0.491 18329 6864 1 8 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.441 -0.642 18329 6865 1 8 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.028 -1.627 18329 6866 1 8 . 1 1 73 73 ILE H H 96 7.820 7.820 7.372 0.448 18329 6867 1 8 . 1 1 74 74 GLU N N 97 118.440 118.440 121.092 -2.652 18329 6868 1 8 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.815 -0.125 18329 6869 1 8 . 1 1 74 74 GLU C C 97 180.500 180.500 179.152 1.348 18329 6870 1 8 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.705 -0.005 18329 6871 1 8 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.616 0.084 18329 6872 1 8 . 1 1 74 74 GLU H H 97 8.380 8.380 7.686 0.694 18329 6873 1 8 . 1 1 75 75 GLU N N 98 120.470 120.470 117.503 2.967 18329 6874 1 8 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.090 -0.150 18329 6875 1 8 . 1 1 75 75 GLU C C 98 180.600 180.600 179.246 1.354 18329 6876 1 8 . 1 1 75 75 GLU CA C 98 59.700 59.700 58.510 1.190 18329 6877 1 8 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.308 0.892 18329 6878 1 8 . 1 1 75 75 GLU H H 98 8.800 8.800 8.034 0.766 18329 6879 1 8 . 1 1 76 76 GLU N N 99 119.230 119.230 119.934 -0.704 18329 6880 1 8 . 1 1 76 76 GLU HA H 99 4.140 4.140 3.994 0.146 18329 6881 1 8 . 1 1 76 76 GLU C C 99 178.900 178.900 178.586 0.314 18329 6882 1 8 . 1 1 76 76 GLU CA C 99 58.600 58.600 59.069 -0.469 18329 6883 1 8 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.268 0.032 18329 6884 1 8 . 1 1 76 76 GLU H H 99 8.840 8.840 8.124 0.716 18329 6885 1 8 . 1 1 77 77 ALA N N 100 121.950 121.950 120.302 1.648 18329 6886 1 8 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.357 -0.357 18329 6887 1 8 . 1 1 77 77 ALA C C 100 179.000 179.000 179.374 -0.374 18329 6888 1 8 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.014 1.286 18329 6889 1 8 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.265 -1.465 18329 6890 1 8 . 1 1 77 77 ALA H H 100 9.400 9.400 7.791 1.609 18329 6891 1 8 . 1 1 78 78 THR N N 101 111.820 111.820 113.945 -2.125 18329 6892 1 8 . 1 1 78 78 THR HA H 101 3.750 3.750 4.013 -0.263 18329 6893 1 8 . 1 1 78 78 THR CA C 101 67.500 67.500 65.835 1.665 18329 6894 1 8 . 1 1 78 78 THR CB C 101 68.600 68.600 68.605 -0.005 18329 6895 1 8 . 1 1 78 78 THR H H 101 7.770 7.770 7.682 0.088 18329 6896 1 8 . 1 1 79 79 LYS N N 102 122.940 122.940 120.350 2.590 18329 6897 1 8 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.191 -0.101 18329 6898 1 8 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.308 0.892 18329 6899 1 8 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.350 0.150 18329 6900 1 8 . 1 1 79 79 LYS H H 102 7.870 7.870 7.688 0.182 18329 6901 1 8 . 1 1 80 80 LEU N N 103 117.690 117.690 117.826 -0.136 18329 6902 1 8 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.462 0.028 18329 6903 1 8 . 1 1 80 80 LEU C C 103 178.140 178.140 177.624 0.516 18329 6904 1 8 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.743 -0.743 18329 6905 1 8 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.045 1.055 18329 6906 1 8 . 1 1 80 80 LEU H H 103 7.550 7.550 7.270 0.280 18329 6907 1 8 . 1 1 81 81 LYS N N 104 122.210 122.210 118.880 3.330 18329 6908 1 8 . 1 1 81 81 LYS HA H 104 3.930 3.930 3.926 0.004 18329 6909 1 8 . 1 1 81 81 LYS C C 104 178.000 178.000 177.661 0.339 18329 6910 1 8 . 1 1 81 81 LYS CA C 104 61.300 61.300 58.880 2.420 18329 6911 1 8 . 1 1 81 81 LYS CB C 104 32.800 32.800 32.085 0.715 18329 6912 1 8 . 1 1 81 81 LYS H H 104 7.500 7.500 7.627 -0.127 18329 6913 1 8 . 1 1 82 82 GLU N N 105 114.920 114.920 117.185 -2.265 18329 6914 1 8 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.206 0.354 18329 6915 1 8 . 1 1 82 82 GLU C C 105 177.900 177.900 178.063 -0.163 18329 6916 1 8 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.004 0.656 18329 6917 1 8 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.507 0.893 18329 6918 1 8 . 1 1 82 82 GLU H H 105 8.780 8.780 8.240 0.540 18329 6919 1 8 . 1 1 83 83 THR N N 106 107.260 107.260 114.152 -6.892 18329 6920 1 8 . 1 1 83 83 THR HA H 106 4.550 4.550 4.036 0.514 18329 6921 1 8 . 1 1 83 83 THR C C 106 176.300 176.300 176.723 -0.423 18329 6922 1 8 . 1 1 83 83 THR CA C 106 61.900 61.900 65.350 -3.450 18329 6923 1 8 . 1 1 83 83 THR CB C 106 70.400 70.400 68.548 1.852 18329 6924 1 8 . 1 1 83 83 THR H H 106 7.570 7.570 8.420 -0.850 18329 6925 1 8 . 1 1 84 84 GLY N N 107 112.110 112.110 108.712 3.398 18329 6926 1 8 . 1 1 84 84 GLY C C 107 172.800 172.800 174.078 -1.278 18329 6927 1 8 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.378 0.022 18329 6928 1 8 . 1 1 84 84 GLY H H 107 9.000 9.000 8.536 0.464 18329 6929 1 8 . 1 1 85 85 SER N N 108 119.030 119.030 115.303 3.727 18329 6930 1 8 . 1 1 85 85 SER CA C 108 56.300 56.300 58.857 -2.557 18329 6931 1 8 . 1 1 85 85 SER CB C 108 66.300 66.300 63.551 2.749 18329 6932 1 8 . 1 1 85 85 SER H H 108 8.950 8.950 8.252 0.698 18329 6933 1 8 . 1 1 86 86 SER HA H 109 4.480 4.480 4.432 0.048 18329 6934 1 8 . 1 1 86 86 SER C C 109 177.000 177.000 176.681 0.319 18329 6935 1 8 . 1 1 86 86 SER CA C 109 61.600 61.600 61.398 0.202 18329 6936 1 8 . 1 1 86 86 SER CB C 109 62.900 62.900 63.564 -0.664 18329 6937 1 8 . 1 1 87 87 GLY N N 110 108.100 108.100 108.904 -0.804 18329 6938 1 8 . 1 1 87 87 GLY C C 110 177.100 177.100 175.779 1.321 18329 6939 1 8 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.817 -0.617 18329 6940 1 8 . 1 1 87 87 GLY H H 110 8.480 8.480 8.527 -0.047 18329 6941 1 8 . 1 1 88 88 GLU N N 111 123.040 123.040 122.209 0.831 18329 6942 1 8 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.027 -0.337 18329 6943 1 8 . 1 1 88 88 GLU C C 111 177.700 177.700 178.715 -1.015 18329 6944 1 8 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.621 0.879 18329 6945 1 8 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.206 -0.506 18329 6946 1 8 . 1 1 88 88 GLU H H 111 7.560 7.560 7.422 0.138 18329 6947 1 8 . 1 1 89 89 PHE N N 112 118.270 118.270 118.273 -0.003 18329 6948 1 8 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.381 0.039 18329 6949 1 8 . 1 1 89 89 PHE C C 112 178.600 178.600 177.733 0.867 18329 6950 1 8 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.201 -0.101 18329 6951 1 8 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.815 -0.915 18329 6952 1 8 . 1 1 89 89 PHE H H 112 7.200 7.200 7.489 -0.289 18329 6953 1 8 . 1 1 90 90 SER N N 113 115.980 115.980 115.727 0.253 18329 6954 1 8 . 1 1 90 90 SER HA H 113 4.290 4.290 4.024 0.266 18329 6955 1 8 . 1 1 90 90 SER C C 113 178.600 178.600 176.461 2.139 18329 6956 1 8 . 1 1 90 90 SER CA C 113 62.700 62.700 62.093 0.607 18329 6957 1 8 . 1 1 90 90 SER CB C 113 62.800 62.800 62.413 0.388 18329 6958 1 8 . 1 1 90 90 SER H H 113 8.830 8.830 8.621 0.209 18329 6959 1 8 . 1 1 91 91 ALA N N 114 123.130 123.130 122.544 0.586 18329 6960 1 8 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.285 0.095 18329 6961 1 8 . 1 1 91 91 ALA C C 114 181.300 181.300 179.257 2.043 18329 6962 1 8 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.287 0.413 18329 6963 1 8 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.549 -0.149 18329 6964 1 8 . 1 1 91 91 ALA H H 114 7.580 7.580 7.552 0.028 18329 6965 1 8 . 1 1 92 92 MET N N 115 118.700 118.700 118.221 0.479 18329 6966 1 8 . 1 1 92 92 MET HA H 115 3.980 3.980 4.351 -0.371 18329 6967 1 8 . 1 1 92 92 MET C C 115 178.000 178.000 178.881 -0.881 18329 6968 1 8 . 1 1 92 92 MET CA C 115 61.000 61.000 57.722 3.278 18329 6969 1 8 . 1 1 92 92 MET CB C 115 31.400 31.400 32.054 -0.655 18329 6970 1 8 . 1 1 92 92 MET H H 115 7.880 7.880 8.128 -0.248 18329 6971 1 8 . 1 1 93 93 TYR N N 116 119.200 119.200 119.385 -0.185 18329 6972 1 8 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.259 0.021 18329 6973 1 8 . 1 1 93 93 TYR C C 116 176.300 176.300 178.454 -2.154 18329 6974 1 8 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.212 0.888 18329 6975 1 8 . 1 1 93 93 TYR CB C 116 38.300 38.300 37.747 0.553 18329 6976 1 8 . 1 1 93 93 TYR H H 116 7.870 7.870 9.057 -1.187 18329 6977 1 8 . 1 1 94 94 ASP N N 117 120.210 120.210 119.282 0.928 18329 6978 1 8 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.541 -0.351 18329 6979 1 8 . 1 1 94 94 ASP C C 117 179.000 179.000 178.900 0.100 18329 6980 1 8 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.239 0.461 18329 6981 1 8 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.666 -0.666 18329 6982 1 8 . 1 1 94 94 ASP H H 117 8.720 8.720 7.921 0.799 18329 6983 1 8 . 1 1 95 95 LEU N N 118 118.420 118.420 121.058 -2.638 18329 6984 1 8 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.160 0.050 18329 6985 1 8 . 1 1 95 95 LEU C C 118 178.600 178.600 178.745 -0.145 18329 6986 1 8 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.900 -0.200 18329 6987 1 8 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.517 1.583 18329 6988 1 8 . 1 1 95 95 LEU H H 118 7.510 7.510 7.490 0.020 18329 6989 1 8 . 1 1 96 96 MET N N 119 118.470 118.470 119.110 -0.640 18329 6990 1 8 . 1 1 96 96 MET HA H 119 3.990 3.990 4.003 -0.013 18329 6991 1 8 . 1 1 96 96 MET C C 119 177.500 177.500 178.764 -1.264 18329 6992 1 8 . 1 1 96 96 MET CA C 119 60.500 60.500 58.433 2.067 18329 6993 1 8 . 1 1 96 96 MET CB C 119 33.900 33.900 31.374 2.526 18329 6994 1 8 . 1 1 96 96 MET H H 119 7.820 7.820 8.078 -0.258 18329 6995 1 8 . 1 1 97 97 PHE N N 120 119.580 119.580 117.521 2.059 18329 6996 1 8 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.106 -0.296 18329 6997 1 8 . 1 1 97 97 PHE C C 120 178.800 178.800 177.813 0.987 18329 6998 1 8 . 1 1 97 97 PHE CA C 120 61.800 61.800 62.051 -0.251 18329 6999 1 8 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.326 0.874 18329 7000 1 8 . 1 1 97 97 PHE H H 120 8.940 8.940 7.836 1.104 18329 7001 1 8 . 1 1 98 98 GLU N N 121 119.940 119.940 119.369 0.571 18329 7002 1 8 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.034 -0.154 18329 7003 1 8 . 1 1 98 98 GLU C C 121 180.800 180.800 178.372 2.428 18329 7004 1 8 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.273 0.527 18329 7005 1 8 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.585 -0.386 18329 7006 1 8 . 1 1 98 98 GLU H H 121 8.690 8.690 7.906 0.784 18329 7007 1 8 . 1 1 99 99 VAL N N 122 115.350 115.350 117.559 -2.209 18329 7008 1 8 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.791 -0.051 18329 7009 1 8 . 1 1 99 99 VAL C C 122 176.500 176.500 176.981 -0.481 18329 7010 1 8 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.152 0.348 18329 7011 1 8 . 1 1 99 99 VAL CB C 122 31.300 31.300 32.165 -0.865 18329 7012 1 8 . 1 1 99 99 VAL H H 122 8.210 8.210 7.891 0.319 18329 7013 1 8 . 1 1 100 100 SER N N 123 115.450 115.450 114.875 0.575 18329 7014 1 8 . 1 1 100 100 SER HA H 123 4.270 4.270 4.115 0.155 18329 7015 1 8 . 1 1 100 100 SER C C 123 174.700 174.700 176.208 -1.508 18329 7016 1 8 . 1 1 100 100 SER CA C 123 62.000 62.000 60.826 1.174 18329 7017 1 8 . 1 1 100 100 SER H H 123 7.520 7.520 7.734 -0.214 18329 7018 1 8 . 1 1 101 101 LYS N N 124 120.310 120.310 122.194 -1.884 18329 7019 1 8 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.243 -0.273 18329 7020 1 8 . 1 1 101 101 LYS C C 124 176.600 176.600 176.633 -0.033 18329 7021 1 8 . 1 1 101 101 LYS CA C 124 61.100 61.100 59.672 1.428 18329 7022 1 8 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.501 -2.001 18329 7023 1 8 . 1 1 101 101 LYS H H 124 6.930 6.930 7.863 -0.933 18329 7024 1 8 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.280 -0.020 18329 7025 1 8 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.266 -0.066 18329 7026 1 8 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.068 -0.468 18329 7027 1 8 . 1 1 103 103 LEU N N 126 116.020 116.020 118.349 -2.329 18329 7028 1 8 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.093 -0.213 18329 7029 1 8 . 1 1 103 103 LEU C C 126 177.900 177.900 179.317 -1.417 18329 7030 1 8 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.487 0.213 18329 7031 1 8 . 1 1 103 103 LEU CB C 126 41.800 41.800 40.945 0.855 18329 7032 1 8 . 1 1 103 103 LEU H H 126 6.520 6.520 7.533 -1.013 18329 7033 1 8 . 1 1 104 104 GLN N N 127 120.500 120.500 118.639 1.861 18329 7034 1 8 . 1 1 104 104 GLN C C 127 180.600 180.600 178.561 2.039 18329 7035 1 8 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.710 -0.410 18329 7036 1 8 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.314 0.686 18329 7037 1 8 . 1 1 104 104 GLN H H 127 8.160 8.160 7.820 0.340 18329 7038 1 8 . 1 1 105 105 LYS N N 128 120.000 120.000 117.319 2.681 18329 7039 1 8 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.197 -0.147 18329 7040 1 8 . 1 1 105 105 LYS C C 128 177.100 177.100 177.282 -0.182 18329 7041 1 8 . 1 1 105 105 LYS CA C 128 58.500 58.500 57.446 1.054 18329 7042 1 8 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.146 -0.746 18329 7043 1 8 . 1 1 105 105 LYS H H 128 7.810 7.810 7.672 0.138 18329 7044 1 8 . 1 1 106 106 LEU N N 129 118.530 118.530 114.849 3.681 18329 7045 1 8 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.338 -0.368 18329 7046 1 8 . 1 1 106 106 LEU C C 129 175.200 175.200 176.706 -1.506 18329 7047 1 8 . 1 1 106 106 LEU CA C 129 54.500 54.500 54.108 0.392 18329 7048 1 8 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.222 -0.822 18329 7049 1 8 . 1 1 106 106 LEU H H 129 7.220 7.220 7.627 -0.407 18329 7050 1 8 . 1 1 107 107 GLY N N 130 101.490 101.490 107.544 -6.054 18329 7051 1 8 . 1 1 107 107 GLY C C 130 174.800 174.800 173.844 0.956 18329 7052 1 8 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.656 0.444 18329 7053 1 8 . 1 1 107 107 GLY H H 130 7.560 7.560 7.754 -0.194 18329 7054 1 8 . 1 1 108 108 ILE N N 131 121.340 121.340 122.566 -1.226 18329 7055 1 8 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.648 0.502 18329 7056 1 8 . 1 1 108 108 ILE C C 131 174.300 174.300 175.138 -0.838 18329 7057 1 8 . 1 1 108 108 ILE CA C 131 60.400 60.400 62.374 -1.974 18329 7058 1 8 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.105 -1.905 18329 7059 1 8 . 1 1 108 108 ILE H H 131 7.290 7.290 8.149 -0.859 18329 7060 1 8 . 1 1 109 109 GLN N N 132 125.650 125.650 124.472 1.178 18329 7061 1 8 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.385 -0.375 18329 7062 1 8 . 1 1 109 109 GLN C C 132 176.800 176.800 176.186 0.614 18329 7063 1 8 . 1 1 109 109 GLN CA C 132 57.600 57.600 54.519 3.081 18329 7064 1 8 . 1 1 109 109 GLN CB C 132 29.000 29.000 30.946 -1.946 18329 7065 1 8 . 1 1 109 109 GLN H H 132 8.080 8.080 7.877 0.203 18329 7066 1 8 . 1 1 110 110 GLU N N 133 114.890 114.890 117.889 -2.999 18329 7067 1 8 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.005 0.145 18329 7068 1 8 . 1 1 110 110 GLU C C 133 177.100 177.100 177.390 -0.290 18329 7069 1 8 . 1 1 110 110 GLU CA C 133 57.100 57.100 58.061 -0.961 18329 7070 1 8 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.629 -1.329 18329 7071 1 8 . 1 1 110 110 GLU H H 133 9.270 9.270 8.921 0.349 18329 7072 1 8 . 1 1 111 111 MET N N 134 121.210 121.210 118.406 2.804 18329 7073 1 8 . 1 1 111 111 MET HA H 134 4.350 4.350 4.097 0.253 18329 7074 1 8 . 1 1 111 111 MET C C 134 177.500 177.500 178.566 -1.066 18329 7075 1 8 . 1 1 111 111 MET CA C 134 57.900 57.900 59.615 -1.715 18329 7076 1 8 . 1 1 111 111 MET CB C 134 33.300 33.300 32.110 1.190 18329 7077 1 8 . 1 1 111 111 MET H H 134 7.620 7.620 8.235 -0.615 18329 7078 1 8 . 1 1 112 112 THR N N 135 113.170 113.170 109.727 3.443 18329 7079 1 8 . 1 1 112 112 THR HA H 135 3.920 3.920 3.788 0.132 18329 7080 1 8 . 1 1 112 112 THR C C 135 176.400 176.400 176.561 -0.161 18329 7081 1 8 . 1 1 112 112 THR CA C 135 65.900 65.900 65.245 0.656 18329 7082 1 8 . 1 1 112 112 THR CB C 135 68.200 68.200 68.481 -0.281 18329 7083 1 8 . 1 1 112 112 THR H H 135 8.320 8.320 8.515 -0.196 18329 7084 1 8 . 1 1 113 113 LYS N N 136 123.440 123.440 121.300 2.140 18329 7085 1 8 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.374 -0.444 18329 7086 1 8 . 1 1 113 113 LYS C C 136 177.600 177.600 179.000 -1.400 18329 7087 1 8 . 1 1 113 113 LYS CA C 136 58.300 58.300 58.517 -0.218 18329 7088 1 8 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.128 -0.128 18329 7089 1 8 . 1 1 113 113 LYS H H 136 8.060 8.060 8.098 -0.038 18329 7090 1 8 . 1 1 114 114 THR N N 137 114.590 114.590 115.488 -0.898 18329 7091 1 8 . 1 1 114 114 THR HA H 137 4.000 4.000 3.999 0.001 18329 7092 1 8 . 1 1 114 114 THR C C 137 176.800 176.800 176.998 -0.198 18329 7093 1 8 . 1 1 114 114 THR CA C 137 67.600 67.600 66.185 1.415 18329 7094 1 8 . 1 1 114 114 THR CB C 137 69.200 69.200 68.327 0.873 18329 7095 1 8 . 1 1 114 114 THR H H 137 7.950 7.950 7.952 -0.002 18329 7096 1 8 . 1 1 115 115 VAL N N 138 119.080 119.080 121.266 -2.186 18329 7097 1 8 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.850 -0.030 18329 7098 1 8 . 1 1 115 115 VAL C C 138 176.900 176.900 178.163 -1.263 18329 7099 1 8 . 1 1 115 115 VAL CA C 138 66.800 66.800 66.715 0.085 18329 7100 1 8 . 1 1 115 115 VAL CB C 138 32.500 32.500 30.516 1.984 18329 7101 1 8 . 1 1 115 115 VAL H H 138 7.320 7.320 7.864 -0.544 18329 7102 1 8 . 1 1 116 116 SER N N 139 116.630 116.630 115.622 1.008 18329 7103 1 8 . 1 1 116 116 SER HA H 139 4.680 4.680 4.363 0.317 18329 7104 1 8 . 1 1 116 116 SER C C 139 179.000 179.000 176.820 2.180 18329 7105 1 8 . 1 1 116 116 SER CA C 139 61.400 61.400 62.131 -0.731 18329 7106 1 8 . 1 1 116 116 SER CB C 139 62.800 62.800 62.964 -0.164 18329 7107 1 8 . 1 1 116 116 SER H H 139 8.990 8.990 7.896 1.094 18329 7108 1 8 . 1 1 117 117 ASP N N 140 124.220 124.220 121.584 2.636 18329 7109 1 8 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.443 -0.083 18329 7110 1 8 . 1 1 117 117 ASP C C 140 179.900 179.900 178.436 1.464 18329 7111 1 8 . 1 1 117 117 ASP CA C 140 57.300 57.300 57.123 0.177 18329 7112 1 8 . 1 1 117 117 ASP CB C 140 39.500 39.500 41.076 -1.576 18329 7113 1 8 . 1 1 117 117 ASP H H 140 9.480 9.480 8.664 0.816 18329 7114 1 8 . 1 1 118 118 ALA N N 141 121.420 121.420 123.000 -1.580 18329 7115 1 8 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.082 0.198 18329 7116 1 8 . 1 1 118 118 ALA C C 141 179.800 179.800 178.859 0.941 18329 7117 1 8 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.875 -0.475 18329 7118 1 8 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.677 0.323 18329 7119 1 8 . 1 1 118 118 ALA H H 141 7.340 7.340 7.764 -0.424 18329 7120 1 8 . 1 1 119 119 ALA N N 142 121.680 121.680 119.277 2.403 18329 7121 1 8 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.062 0.068 18329 7122 1 8 . 1 1 119 119 ALA C C 142 178.800 178.800 178.751 0.049 18329 7123 1 8 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.430 -1.230 18329 7124 1 8 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.821 -0.521 18329 7125 1 8 . 1 1 119 119 ALA H H 142 7.890 7.890 7.891 -0.001 18329 7126 1 8 . 1 1 120 120 GLU N N 143 117.690 117.690 117.832 -0.142 18329 7127 1 8 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.330 -0.390 18329 7128 1 8 . 1 1 120 120 GLU C C 143 178.100 178.100 175.490 2.610 18329 7129 1 8 . 1 1 120 120 GLU CA C 143 58.700 58.700 56.891 1.809 18329 7130 1 8 . 1 1 120 120 GLU CB C 143 29.500 29.500 28.504 0.996 18329 7131 1 8 . 1 1 120 120 GLU H H 143 7.500 7.500 7.774 -0.274 18329 7132 1 8 . 1 1 121 121 GLU N N 144 115.680 115.680 122.774 -7.094 18329 7133 1 8 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.349 -0.189 18329 7134 1 8 . 1 1 121 121 GLU C C 144 176.100 176.100 175.252 0.848 18329 7135 1 8 . 1 1 121 121 GLU CA C 144 56.900 56.900 57.201 -0.301 18329 7136 1 8 . 1 1 121 121 GLU CB C 144 31.100 31.100 31.161 -0.061 18329 7137 1 8 . 1 1 121 121 GLU H H 144 6.970 6.970 8.071 -1.101 18329 7138 1 8 . 1 1 122 122 ASN N N 145 117.750 117.750 119.075 -1.325 18329 7139 1 8 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.111 -0.121 18329 7140 1 8 . 1 1 122 122 ASN C C 145 185.300 185.300 172.720 12.580 18329 7141 1 8 . 1 1 122 122 ASN CA C 145 50.200 50.200 51.579 -1.379 18329 7142 1 8 . 1 1 122 122 ASN CB C 145 41.100 41.100 38.068 3.032 18329 7143 1 8 . 1 1 122 122 ASN H H 145 7.670 7.670 7.892 -0.222 18329 7144 1 8 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.391 0.239 18329 7145 1 8 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.574 -1.574 18329 7146 1 8 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.356 -0.056 18329 7147 1 8 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.241 0.199 18329 7148 1 8 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.436 -0.536 18329 7149 1 8 . 1 1 124 124 PRO CB C 147 28.400 28.400 30.558 -2.158 18329 7150 1 8 . 1 1 125 125 THR N N 148 106.090 106.090 110.856 -4.766 18329 7151 1 8 . 1 1 125 125 THR HA H 148 4.530 4.530 4.206 0.324 18329 7152 1 8 . 1 1 125 125 THR C C 148 174.300 174.300 174.097 0.203 18329 7153 1 8 . 1 1 125 125 THR CA C 148 61.200 61.200 62.847 -1.647 18329 7154 1 8 . 1 1 125 125 THR CB C 148 68.600 68.600 68.670 -0.070 18329 7155 1 8 . 1 1 125 125 THR H H 148 7.800 7.800 8.279 -0.479 18329 7156 1 8 . 1 1 126 126 THR N N 149 108.650 108.650 112.656 -4.006 18329 7157 1 8 . 1 1 126 126 THR HA H 149 4.170 4.170 4.549 -0.379 18329 7158 1 8 . 1 1 126 126 THR C C 149 173.100 173.100 173.490 -0.390 18329 7159 1 8 . 1 1 126 126 THR CA C 149 58.800 58.800 60.292 -1.492 18329 7160 1 8 . 1 1 126 126 THR CB C 149 73.100 73.100 71.193 1.907 18329 7161 1 8 . 1 1 126 126 THR H H 149 7.350 7.350 7.015 0.335 18329 7162 1 8 . 1 1 127 127 ALA N N 150 123.270 123.270 126.793 -3.523 18329 7163 1 8 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.843 -0.823 18329 7164 1 8 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.177 -0.177 18329 7165 1 8 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.971 -0.271 18329 7166 1 8 . 1 1 127 127 ALA H H 150 7.750 7.750 9.089 -1.339 18329 7167 1 8 . 1 1 128 128 GLN N N 151 114.920 114.920 118.262 -3.342 18329 7168 1 8 . 1 1 128 128 GLN HA H 151 3.750 3.750 3.972 -0.222 18329 7169 1 8 . 1 1 128 128 GLN C C 151 178.400 178.400 178.550 -0.150 18329 7170 1 8 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.571 0.229 18329 7171 1 8 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.567 -1.367 18329 7172 1 8 . 1 1 128 128 GLN H H 151 8.300 8.300 7.838 0.462 18329 7173 1 8 . 1 1 129 129 GLY N N 152 107.280 107.280 107.816 -0.536 18329 7174 1 8 . 1 1 129 129 GLY C C 152 174.900 174.900 176.129 -1.229 18329 7175 1 8 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.629 0.571 18329 7176 1 8 . 1 1 129 129 GLY H H 152 7.920 7.920 8.014 -0.094 18329 7177 1 8 . 1 1 130 130 VAL N N 153 119.440 119.440 123.331 -3.891 18329 7178 1 8 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.602 -0.132 18329 7179 1 8 . 1 1 130 130 VAL C C 153 177.700 177.700 177.819 -0.119 18329 7180 1 8 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.679 2.121 18329 7181 1 8 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.531 0.169 18329 7182 1 8 . 1 1 130 130 VAL H H 153 7.390 7.390 7.353 0.037 18329 7183 1 8 . 1 1 131 131 LEU N N 154 118.990 118.990 118.351 0.639 18329 7184 1 8 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.855 0.055 18329 7185 1 8 . 1 1 131 131 LEU C C 154 180.400 180.400 178.778 1.622 18329 7186 1 8 . 1 1 131 131 LEU CA C 154 58.300 58.300 57.448 0.852 18329 7187 1 8 . 1 1 131 131 LEU CB C 154 41.000 41.000 40.820 0.180 18329 7188 1 8 . 1 1 131 131 LEU H H 154 8.640 8.640 7.672 0.968 18329 7189 1 8 . 1 1 132 132 GLU N N 155 120.980 120.980 118.438 2.542 18329 7190 1 8 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.076 0.044 18329 7191 1 8 . 1 1 132 132 GLU C C 155 179.400 179.400 178.991 0.409 18329 7192 1 8 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.027 -0.127 18329 7193 1 8 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.186 0.014 18329 7194 1 8 . 1 1 132 132 GLU H H 155 8.000 8.000 8.291 -0.291 18329 7195 1 8 . 1 1 133 133 ILE N N 156 121.830 121.830 119.913 1.917 18329 7196 1 8 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.838 -0.258 18329 7197 1 8 . 1 1 133 133 ILE C C 156 178.000 178.000 177.995 0.005 18329 7198 1 8 . 1 1 133 133 ILE CA C 156 65.500 65.500 61.537 3.963 18329 7199 1 8 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.464 3.136 18329 7200 1 8 . 1 1 133 133 ILE H H 156 8.040 8.040 7.946 0.094 18329 7201 1 8 . 1 1 134 134 ALA N N 157 121.470 121.470 123.451 -1.981 18329 7202 1 8 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.881 0.019 18329 7203 1 8 . 1 1 134 134 ALA C C 157 178.800 178.800 179.520 -0.720 18329 7204 1 8 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.236 0.064 18329 7205 1 8 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.069 0.031 18329 7206 1 8 . 1 1 134 134 ALA H H 157 8.950 8.950 7.903 1.047 18329 7207 1 8 . 1 1 135 135 LYS N N 158 118.470 118.470 118.639 -0.169 18329 7208 1 8 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.874 0.036 18329 7209 1 8 . 1 1 135 135 LYS C C 158 179.300 179.300 179.190 0.110 18329 7210 1 8 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.760 -0.260 18329 7211 1 8 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.161 -0.761 18329 7212 1 8 . 1 1 135 135 LYS H H 158 8.000 8.000 7.582 0.418 18329 7213 1 8 . 1 1 136 136 LYS N N 159 118.000 118.000 118.287 -0.287 18329 7214 1 8 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.076 -0.026 18329 7215 1 8 . 1 1 136 136 LYS C C 159 180.200 180.200 179.602 0.598 18329 7216 1 8 . 1 1 136 136 LYS CA C 159 59.500 59.500 58.649 0.851 18329 7217 1 8 . 1 1 136 136 LYS CB C 159 30.900 30.900 31.893 -0.993 18329 7218 1 8 . 1 1 136 136 LYS H H 159 7.530 7.530 7.489 0.041 18329 7219 1 8 . 1 1 137 137 MET N N 160 120.990 120.990 119.529 1.461 18329 7220 1 8 . 1 1 137 137 MET HA H 160 3.800 3.800 4.051 -0.251 18329 7221 1 8 . 1 1 137 137 MET C C 160 177.400 177.400 178.434 -1.034 18329 7222 1 8 . 1 1 137 137 MET CA C 160 60.600 60.600 59.833 0.767 18329 7223 1 8 . 1 1 137 137 MET CB C 160 31.800 31.800 32.693 -0.893 18329 7224 1 8 . 1 1 137 137 MET H H 160 8.660 8.660 8.188 0.472 18329 7225 1 8 . 1 1 138 138 ARG N N 161 119.480 119.480 119.099 0.381 18329 7226 1 8 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.897 -0.097 18329 7227 1 8 . 1 1 138 138 ARG C C 161 177.900 177.900 178.357 -0.457 18329 7228 1 8 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.629 0.971 18329 7229 1 8 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.316 -0.516 18329 7230 1 8 . 1 1 138 138 ARG H H 161 9.280 9.280 8.577 0.703 18329 7231 1 8 . 1 1 139 139 GLU N N 162 118.700 118.700 119.128 -0.428 18329 7232 1 8 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.028 -0.028 18329 7233 1 8 . 1 1 139 139 GLU C C 162 179.100 179.100 178.448 0.652 18329 7234 1 8 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.229 0.571 18329 7235 1 8 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.556 -0.056 18329 7236 1 8 . 1 1 139 139 GLU H H 162 8.430 8.430 8.797 -0.367 18329 7237 1 8 . 1 1 140 140 LYS N N 163 119.310 119.310 120.221 -0.911 18329 7238 1 8 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.095 0.115 18329 7239 1 8 . 1 1 140 140 LYS C C 163 177.900 177.900 178.984 -1.084 18329 7240 1 8 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.495 0.405 18329 7241 1 8 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.077 -0.977 18329 7242 1 8 . 1 1 140 140 LYS H H 163 7.440 7.440 7.586 -0.146 18329 7243 1 8 . 1 1 141 141 LEU N N 164 117.630 117.630 119.679 -2.049 18329 7244 1 8 . 1 1 141 141 LEU HA H 164 3.890 3.890 3.915 -0.025 18329 7245 1 8 . 1 1 141 141 LEU C C 164 178.700 178.700 178.774 -0.074 18329 7246 1 8 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.852 0.148 18329 7247 1 8 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.710 -0.210 18329 7248 1 8 . 1 1 141 141 LEU H H 164 8.180 8.180 7.720 0.460 18329 7249 1 8 . 1 1 142 142 GLN N N 165 117.710 117.710 118.746 -1.036 18329 7250 1 8 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.888 0.422 18329 7251 1 8 . 1 1 142 142 GLN C C 165 179.200 179.200 178.212 0.988 18329 7252 1 8 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.533 -1.033 18329 7253 1 8 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.535 -1.035 18329 7254 1 8 . 1 1 142 142 GLN H H 165 8.730 8.730 8.033 0.697 18329 7255 1 8 . 1 1 143 143 ARG N N 166 121.410 121.410 118.973 2.437 18329 7256 1 8 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.008 0.182 18329 7257 1 8 . 1 1 143 143 ARG C C 166 179.700 179.700 179.007 0.693 18329 7258 1 8 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.355 0.445 18329 7259 1 8 . 1 1 143 143 ARG CB C 166 30.200 30.200 30.127 0.073 18329 7260 1 8 . 1 1 143 143 ARG H H 166 8.050 8.050 7.671 0.379 18329 7261 1 8 . 1 1 144 144 VAL N N 167 120.950 120.950 120.784 0.166 18329 7262 1 8 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.616 0.144 18329 7263 1 8 . 1 1 144 144 VAL C C 167 179.200 179.200 177.928 1.272 18329 7264 1 8 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.852 -0.452 18329 7265 1 8 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.628 0.472 18329 7266 1 8 . 1 1 144 144 VAL H H 167 8.190 8.190 7.621 0.569 18329 7267 1 8 . 1 1 145 145 HIS N N 168 123.520 123.520 118.206 5.314 18329 7268 1 8 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.410 -0.510 18329 7269 1 8 . 1 1 145 145 HIS C C 168 177.100 177.100 177.650 -0.550 18329 7270 1 8 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.347 1.953 18329 7271 1 8 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.384 -0.484 18329 7272 1 8 . 1 1 145 145 HIS H H 168 9.240 9.240 8.106 1.134 18329 7273 1 8 . 1 1 146 146 THR N N 169 115.020 115.020 117.638 -2.618 18329 7274 1 8 . 1 1 146 146 THR HA H 169 3.860 3.860 4.172 -0.312 18329 7275 1 8 . 1 1 146 146 THR C C 169 175.700 175.700 176.097 -0.397 18329 7276 1 8 . 1 1 146 146 THR CA C 169 67.200 67.200 67.097 0.103 18329 7277 1 8 . 1 1 146 146 THR CB C 169 69.300 69.300 68.914 0.386 18329 7278 1 8 . 1 1 146 146 THR H H 169 8.750 8.750 8.738 0.012 18329 7279 1 8 . 1 1 147 147 LYS N N 170 120.300 120.300 121.215 -0.915 18329 7280 1 8 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.988 0.012 18329 7281 1 8 . 1 1 147 147 LYS C C 170 179.300 179.300 178.640 0.660 18329 7282 1 8 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.683 -0.583 18329 7283 1 8 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.491 -0.691 18329 7284 1 8 . 1 1 147 147 LYS H H 170 8.020 8.020 8.240 -0.220 18329 7285 1 8 . 1 1 148 148 ASN N N 171 117.600 117.600 116.781 0.819 18329 7286 1 8 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.468 -0.148 18329 7287 1 8 . 1 1 148 148 ASN C C 171 175.400 175.400 177.389 -1.989 18329 7288 1 8 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.909 1.791 18329 7289 1 8 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.698 1.002 18329 7290 1 8 . 1 1 148 148 ASN H H 171 7.810 7.810 7.655 0.155 18329 7291 1 8 . 1 1 149 149 TYR N N 172 121.560 121.560 120.525 1.035 18329 7292 1 8 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.273 -0.383 18329 7293 1 8 . 1 1 149 149 TYR C C 172 176.900 176.900 177.533 -0.633 18329 7294 1 8 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.700 -0.200 18329 7295 1 8 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.787 0.133 18329 7296 1 8 . 1 1 149 149 TYR H H 172 9.020 9.020 7.705 1.315 18329 7297 1 8 . 1 1 150 150 CYS N N 173 116.050 116.050 116.555 -0.505 18329 7298 1 8 . 1 1 150 150 CYS C C 173 177.100 177.100 176.449 0.651 18329 7299 1 8 . 1 1 150 150 CYS CA C 173 58.400 58.400 60.400 -2.000 18329 7300 1 8 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.343 12.258 18329 7301 1 8 . 1 1 150 150 CYS H H 173 8.810 8.810 7.810 1.000 18329 7302 1 8 . 1 1 151 151 THR N N 174 117.190 117.190 115.018 2.172 18329 7303 1 8 . 1 1 151 151 THR HA H 174 3.880 3.880 4.060 -0.180 18329 7304 1 8 . 1 1 151 151 THR C C 174 176.000 176.000 176.573 -0.573 18329 7305 1 8 . 1 1 151 151 THR CA C 174 66.900 66.900 65.286 1.614 18329 7306 1 8 . 1 1 151 151 THR CB C 174 68.500 68.500 68.276 0.224 18329 7307 1 8 . 1 1 151 151 THR H H 174 7.720 7.720 7.622 0.098 18329 7308 1 8 . 1 1 152 152 LEU N N 175 123.110 123.110 121.738 1.372 18329 7309 1 8 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.006 -0.196 18329 7310 1 8 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.498 0.501 18329 7311 1 8 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.249 0.251 18329 7312 1 8 . 1 1 152 152 LEU H H 175 7.870 7.870 7.477 0.393 18329 7313 1 8 . 1 1 153 153 LYS N N 176 117.270 117.270 116.850 0.420 18329 7314 1 8 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.945 -0.245 18329 7315 1 8 . 1 1 153 153 LYS C C 176 179.100 179.100 177.916 1.184 18329 7316 1 8 . 1 1 153 153 LYS CA C 176 56.700 56.700 57.587 -0.887 18329 7317 1 8 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.222 -1.322 18329 7318 1 8 . 1 1 153 153 LYS H H 176 7.900 7.900 7.590 0.309 18329 7319 1 8 . 1 1 154 154 LYS N N 177 119.290 119.290 119.979 -0.689 18329 7320 1 8 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.006 0.254 18329 7321 1 8 . 1 1 154 154 LYS C C 177 178.100 178.100 177.908 0.192 18329 7322 1 8 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.250 -1.450 18329 7323 1 8 . 1 1 154 154 LYS CB C 177 31.800 31.800 32.243 -0.443 18329 7324 1 8 . 1 1 154 154 LYS H H 177 7.540 7.540 7.643 -0.103 18329 7325 1 8 . 1 1 155 155 LYS N N 178 118.910 118.910 116.508 2.402 18329 7326 1 8 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.091 -0.041 18329 7327 1 8 . 1 1 155 155 LYS C C 178 178.100 178.100 178.572 -0.472 18329 7328 1 8 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.844 -0.845 18329 7329 1 8 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.315 -0.115 18329 7330 1 8 . 1 1 155 155 LYS H H 178 7.630 7.630 7.645 -0.015 18329 7331 1 8 . 1 1 156 156 GLU N N 179 117.950 117.950 118.344 -0.394 18329 7332 1 8 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.138 -0.028 18329 7333 1 8 . 1 1 156 156 GLU C C 179 176.700 176.700 177.458 -0.758 18329 7334 1 8 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.647 -1.147 18329 7335 1 8 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.777 -0.177 18329 7336 1 8 . 1 1 156 156 GLU H H 179 7.560 7.560 8.057 -0.497 18329 7337 1 8 . 1 1 157 157 ASN N N 180 116.590 116.590 115.180 1.410 18329 7338 1 8 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.776 -0.056 18329 7339 1 8 . 1 1 157 157 ASN C C 180 175.000 175.000 175.659 -0.659 18329 7340 1 8 . 1 1 157 157 ASN CA C 180 52.700 52.700 54.190 -1.490 18329 7341 1 8 . 1 1 157 157 ASN CB C 180 38.800 38.800 39.498 -0.699 18329 7342 1 8 . 1 1 157 157 ASN H H 180 7.820 7.820 7.877 -0.057 18329 7343 1 8 . 1 1 158 158 SER HA H 181 4.450 4.450 4.440 0.010 18329 7344 1 8 . 1 1 158 158 SER CA C 181 60.400 60.400 58.958 1.442 18329 7345 1 8 . 1 1 158 158 SER CB C 181 63.500 63.500 63.728 -0.228 18329 7346 1 8 . 1 1 158 158 SER H H 181 8.030 8.030 8.248 -0.218 18329 7347 1 8 . 1 1 159 159 THR N N 182 112.800 112.800 116.565 -3.765 18329 7348 1 8 . 1 1 159 159 THR HA H 182 4.380 4.380 4.628 -0.248 18329 7349 1 8 . 1 1 159 159 THR C C 182 174.300 174.300 173.028 1.272 18329 7350 1 8 . 1 1 159 159 THR CA C 182 61.800 61.800 62.720 -0.920 18329 7351 1 8 . 1 1 159 159 THR CB C 182 69.100 69.100 69.515 -0.415 18329 7352 1 8 . 1 1 159 159 THR H H 182 8.070 8.070 7.841 0.229 18329 7353 1 8 . 1 1 160 160 PHE N N 183 123.120 123.120 125.070 -1.950 18329 7354 1 8 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.942 -0.502 18329 7355 1 8 . 1 1 160 160 PHE C C 183 175.100 175.100 174.948 0.152 18329 7356 1 8 . 1 1 160 160 PHE CA C 183 58.900 58.900 57.381 1.519 18329 7357 1 8 . 1 1 160 160 PHE CB C 183 40.000 40.000 41.479 -1.479 18329 7358 1 8 . 1 1 160 160 PHE H H 183 7.900 7.900 8.098 -0.198 18329 7359 1 8 . 1 1 161 161 THR N N 184 119.330 119.330 115.558 3.772 18329 7360 1 8 . 1 1 161 161 THR HA H 184 4.190 4.190 4.540 -0.350 18329 7361 1 8 . 1 1 161 161 THR CA C 184 60.700 60.700 62.031 -1.331 18329 7362 1 8 . 1 1 161 161 THR CB C 184 70.700 70.700 69.331 1.369 18329 7363 1 8 . 1 1 161 161 THR H H 184 7.810 7.810 8.281 -0.471 18329 7364 1 8 . 1 1 162 162 ASP N N 185 123.190 123.190 119.274 3.916 18329 7365 1 8 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.759 -0.349 18329 7366 1 8 . 1 1 162 162 ASP C C 185 176.900 176.900 175.132 1.768 18329 7367 1 8 . 1 1 162 162 ASP CA C 185 53.900 53.900 53.715 0.185 18329 7368 1 8 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.001 2.999 18329 7369 1 8 . 1 1 162 162 ASP H H 185 8.000 8.000 8.302 -0.302 18329 7370 1 8 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.476 0.004 18329 7371 1 8 . 1 1 163 163 GLU CA C 186 58.800 58.800 55.536 3.264 18329 7372 1 8 . 1 1 163 163 GLU CB C 186 28.100 28.100 31.034 -2.934 18329 7373 1 8 . 1 1 166 166 LYS N N 189 118.150 118.150 118.435 -0.285 18329 7374 1 8 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.175 0.045 18329 7375 1 8 . 1 1 166 166 LYS C C 189 177.500 177.500 177.168 0.332 18329 7376 1 8 . 1 1 166 166 LYS CA C 189 58.000 58.000 57.454 0.546 18329 7377 1 8 . 1 1 166 166 LYS CB C 189 32.600 32.600 31.817 0.783 18329 7378 1 8 . 1 1 166 166 LYS H H 189 8.890 8.890 8.012 0.878 18329 7379 1 8 . 1 1 167 167 ASN N N 190 116.210 116.210 119.938 -3.728 18329 7380 1 8 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.535 0.425 18329 7381 1 8 . 1 1 167 167 ASN C C 190 174.900 174.900 174.929 -0.029 18329 7382 1 8 . 1 1 167 167 ASN CA C 190 52.900 52.900 53.344 -0.444 18329 7383 1 8 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.047 0.353 18329 7384 1 8 . 1 1 167 167 ASN H H 190 8.030 8.030 8.173 -0.143 18329 7385 1 9 . 1 1 2 2 ALA N N 25 125.000 125.000 127.974 -2.974 18329 7386 1 9 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.061 0.309 18329 7387 1 9 . 1 1 2 2 ALA CA C 25 52.300 52.300 53.751 -1.451 18329 7388 1 9 . 1 1 2 2 ALA CB C 25 19.700 19.700 18.423 1.277 18329 7389 1 9 . 1 1 2 2 ALA H H 25 8.690 8.690 8.489 0.201 18329 7390 1 9 . 1 1 3 3 GLY N N 26 106.920 106.920 107.077 -0.157 18329 7391 1 9 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.014 -1.014 18329 7392 1 9 . 1 1 3 3 GLY H H 26 7.940 7.940 8.567 -0.627 18329 7393 1 9 . 1 1 4 4 LEU N N 27 119.140 119.140 122.371 -3.231 18329 7394 1 9 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.515 -0.105 18329 7395 1 9 . 1 1 4 4 LEU C C 27 177.100 177.100 177.140 -0.040 18329 7396 1 9 . 1 1 4 4 LEU CA C 27 54.400 54.400 53.827 0.573 18329 7397 1 9 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.697 -0.597 18329 7398 1 9 . 1 1 4 4 LEU H H 27 8.210 8.210 7.703 0.507 18329 7399 1 9 . 1 1 5 5 THR N N 28 112.940 112.940 117.235 -4.295 18329 7400 1 9 . 1 1 5 5 THR HA H 28 4.650 4.650 4.236 0.414 18329 7401 1 9 . 1 1 5 5 THR C C 28 175.500 175.500 175.116 0.384 18329 7402 1 9 . 1 1 5 5 THR CA C 28 60.100 60.100 62.495 -2.396 18329 7403 1 9 . 1 1 5 5 THR CB C 28 72.600 72.600 68.566 4.034 18329 7404 1 9 . 1 1 5 5 THR H H 28 9.220 9.220 8.478 0.742 18329 7405 1 9 . 1 1 6 6 GLY N N 29 108.230 108.230 114.154 -5.924 18329 7406 1 9 . 1 1 6 6 GLY C C 29 174.800 174.800 173.895 0.905 18329 7407 1 9 . 1 1 6 6 GLY CA C 29 46.000 46.000 45.869 0.131 18329 7408 1 9 . 1 1 6 6 GLY H H 29 8.520 8.520 8.160 0.360 18329 7409 1 9 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.263 -0.223 18329 7410 1 9 . 1 1 7 7 ALA CA C 30 54.800 54.800 52.460 2.340 18329 7411 1 9 . 1 1 7 7 ALA CB C 30 18.200 18.200 19.107 -0.907 18329 7412 1 9 . 1 1 8 8 THR N N 31 116.970 116.970 118.141 -1.171 18329 7413 1 9 . 1 1 8 8 THR HA H 31 3.740 3.740 3.824 -0.084 18329 7414 1 9 . 1 1 8 8 THR C C 31 175.300 175.300 176.105 -0.805 18329 7415 1 9 . 1 1 8 8 THR CA C 31 67.000 67.000 67.540 -0.540 18329 7416 1 9 . 1 1 8 8 THR CB C 31 68.700 68.700 68.616 0.084 18329 7417 1 9 . 1 1 8 8 THR H H 31 8.110 8.110 7.997 0.113 18329 7418 1 9 . 1 1 9 9 LYS N N 32 120.540 120.540 120.091 0.449 18329 7419 1 9 . 1 1 9 9 LYS HA H 32 3.590 3.590 3.993 -0.403 18329 7420 1 9 . 1 1 9 9 LYS C C 32 176.900 176.900 178.167 -1.267 18329 7421 1 9 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.158 0.642 18329 7422 1 9 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.459 0.941 18329 7423 1 9 . 1 1 9 9 LYS H H 32 6.860 6.860 8.101 -1.241 18329 7424 1 9 . 1 1 10 10 ILE N N 33 115.940 115.940 120.451 -4.511 18329 7425 1 9 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.771 -0.061 18329 7426 1 9 . 1 1 10 10 ILE C C 33 179.000 179.000 178.190 0.810 18329 7427 1 9 . 1 1 10 10 ILE CA C 33 64.000 64.000 65.314 -1.314 18329 7428 1 9 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.740 0.260 18329 7429 1 9 . 1 1 10 10 ILE H H 33 7.380 7.380 8.779 -1.399 18329 7430 1 9 . 1 1 11 11 ARG N N 34 118.350 118.350 119.917 -1.567 18329 7431 1 9 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.059 -0.019 18329 7432 1 9 . 1 1 11 11 ARG C C 34 180.000 180.000 178.562 1.438 18329 7433 1 9 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.038 0.362 18329 7434 1 9 . 1 1 11 11 ARG CB C 34 30.300 30.300 29.623 0.677 18329 7435 1 9 . 1 1 11 11 ARG H H 34 8.250 8.250 7.556 0.694 18329 7436 1 9 . 1 1 12 12 LEU N N 35 117.420 117.420 120.094 -2.674 18329 7437 1 9 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.056 0.114 18329 7438 1 9 . 1 1 12 12 LEU C C 35 179.000 179.000 179.086 -0.086 18329 7439 1 9 . 1 1 12 12 LEU CA C 35 58.000 58.000 58.803 -0.803 18329 7440 1 9 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.558 -0.758 18329 7441 1 9 . 1 1 12 12 LEU H H 35 8.340 8.340 7.728 0.612 18329 7442 1 9 . 1 1 13 13 GLU N N 36 117.890 117.890 119.761 -1.871 18329 7443 1 9 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.941 0.079 18329 7444 1 9 . 1 1 13 13 GLU C C 36 180.100 180.100 179.143 0.957 18329 7445 1 9 . 1 1 13 13 GLU CA C 36 60.200 60.200 60.048 0.152 18329 7446 1 9 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.568 -1.268 18329 7447 1 9 . 1 1 13 13 GLU H H 36 8.610 8.610 8.888 -0.278 18329 7448 1 9 . 1 1 14 14 ARG N N 37 121.100 121.100 118.131 2.969 18329 7449 1 9 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.114 0.126 18329 7450 1 9 . 1 1 14 14 ARG C C 37 178.100 178.100 179.146 -1.046 18329 7451 1 9 . 1 1 14 14 ARG CA C 37 58.500 58.500 58.617 -0.117 18329 7452 1 9 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.015 0.185 18329 7453 1 9 . 1 1 14 14 ARG H H 37 7.980 7.980 8.308 -0.328 18329 7454 1 9 . 1 1 15 15 SER N N 38 115.420 115.420 116.235 -0.815 18329 7455 1 9 . 1 1 15 15 SER HA H 38 4.380 4.380 4.565 -0.185 18329 7456 1 9 . 1 1 15 15 SER C C 38 177.300 177.300 176.378 0.922 18329 7457 1 9 . 1 1 15 15 SER CA C 38 62.200 62.200 61.357 0.843 18329 7458 1 9 . 1 1 15 15 SER CB C 38 63.200 63.200 63.086 0.114 18329 7459 1 9 . 1 1 15 15 SER H H 38 8.230 8.230 8.763 -0.533 18329 7460 1 9 . 1 1 16 16 ALA N N 39 123.970 123.970 124.222 -0.252 18329 7461 1 9 . 1 1 16 16 ALA HA H 39 3.630 3.630 3.890 -0.260 18329 7462 1 9 . 1 1 16 16 ALA C C 39 179.500 179.500 179.781 -0.281 18329 7463 1 9 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.841 -0.141 18329 7464 1 9 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.282 -0.281 18329 7465 1 9 . 1 1 16 16 ALA H H 39 8.280 8.280 8.657 -0.377 18329 7466 1 9 . 1 1 17 17 LYS N N 40 121.690 121.690 119.292 2.398 18329 7467 1 9 . 1 1 17 17 LYS HA H 40 4.090 4.090 3.927 0.163 18329 7468 1 9 . 1 1 17 17 LYS C C 40 178.000 178.000 178.424 -0.424 18329 7469 1 9 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.776 -1.377 18329 7470 1 9 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.106 -0.306 18329 7471 1 9 . 1 1 17 17 LYS H H 40 7.930 7.930 7.855 0.075 18329 7472 1 9 . 1 1 18 18 ASP N N 41 118.730 118.730 119.144 -0.414 18329 7473 1 9 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.384 -0.024 18329 7474 1 9 . 1 1 18 18 ASP C C 41 179.900 179.900 178.783 1.117 18329 7475 1 9 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.907 0.792 18329 7476 1 9 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.109 -0.509 18329 7477 1 9 . 1 1 18 18 ASP H H 41 8.320 8.320 7.811 0.509 18329 7478 1 9 . 1 1 19 19 ILE N N 42 118.180 118.180 119.775 -1.595 18329 7479 1 9 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.728 -0.038 18329 7480 1 9 . 1 1 19 19 ILE C C 42 177.400 177.400 177.656 -0.256 18329 7481 1 9 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.554 -0.354 18329 7482 1 9 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.540 0.360 18329 7483 1 9 . 1 1 19 19 ILE H H 42 7.420 7.420 8.087 -0.667 18329 7484 1 9 . 1 1 20 20 THR N N 43 113.360 113.360 112.146 1.214 18329 7485 1 9 . 1 1 20 20 THR HA H 43 3.770 3.770 4.010 -0.240 18329 7486 1 9 . 1 1 20 20 THR C C 43 177.800 177.800 176.531 1.269 18329 7487 1 9 . 1 1 20 20 THR CA C 43 66.400 66.400 65.219 1.181 18329 7488 1 9 . 1 1 20 20 THR CB C 43 67.400 67.400 68.076 -0.676 18329 7489 1 9 . 1 1 20 20 THR H H 43 7.610 7.610 7.446 0.164 18329 7490 1 9 . 1 1 21 21 ASP N N 44 123.650 123.650 122.221 1.429 18329 7491 1 9 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.372 0.038 18329 7492 1 9 . 1 1 21 21 ASP C C 44 179.200 179.200 178.109 1.091 18329 7493 1 9 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.547 -0.347 18329 7494 1 9 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.615 -1.015 18329 7495 1 9 . 1 1 21 21 ASP H H 44 9.260 9.260 8.666 0.594 18329 7496 1 9 . 1 1 22 22 GLU N N 45 123.560 123.560 118.611 4.949 18329 7497 1 9 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.119 0.251 18329 7498 1 9 . 1 1 22 22 GLU C C 45 178.500 178.500 179.321 -0.821 18329 7499 1 9 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.873 -0.673 18329 7500 1 9 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.717 -0.517 18329 7501 1 9 . 1 1 22 22 GLU H H 45 7.750 7.750 7.682 0.068 18329 7502 1 9 . 1 1 23 23 ILE N N 46 119.940 119.940 115.346 4.594 18329 7503 1 9 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.780 -0.160 18329 7504 1 9 . 1 1 23 23 ILE C C 46 177.600 177.600 177.563 0.037 18329 7505 1 9 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.237 1.363 18329 7506 1 9 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.465 -0.465 18329 7507 1 9 . 1 1 23 23 ILE H H 46 8.360 8.360 7.214 1.146 18329 7508 1 9 . 1 1 24 24 ASP N N 47 120.730 120.730 121.576 -0.846 18329 7509 1 9 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.327 0.073 18329 7510 1 9 . 1 1 24 24 ASP C C 47 178.900 178.900 178.214 0.686 18329 7511 1 9 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.451 0.049 18329 7512 1 9 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.048 -0.148 18329 7513 1 9 . 1 1 24 24 ASP H H 47 8.280 8.280 8.244 0.036 18329 7514 1 9 . 1 1 25 25 ALA N N 48 123.870 123.870 121.195 2.675 18329 7515 1 9 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.025 0.095 18329 7516 1 9 . 1 1 25 25 ALA C C 48 180.400 180.400 179.242 1.158 18329 7517 1 9 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.895 0.605 18329 7518 1 9 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.370 -0.570 18329 7519 1 9 . 1 1 25 25 ALA H H 48 7.880 7.880 7.485 0.395 18329 7520 1 9 . 1 1 26 26 ILE N N 49 121.970 121.970 117.744 4.226 18329 7521 1 9 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.713 0.017 18329 7522 1 9 . 1 1 26 26 ILE C C 49 178.400 178.400 177.859 0.541 18329 7523 1 9 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.943 0.957 18329 7524 1 9 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.686 -0.186 18329 7525 1 9 . 1 1 26 26 ILE H H 49 8.710 8.710 7.518 1.192 18329 7526 1 9 . 1 1 27 27 LYS N N 50 119.820 119.820 120.110 -0.290 18329 7527 1 9 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.367 0.513 18329 7528 1 9 . 1 1 27 27 LYS C C 50 179.900 179.900 178.985 0.915 18329 7529 1 9 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.491 0.909 18329 7530 1 9 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.828 0.072 18329 7531 1 9 . 1 1 27 27 LYS H H 50 8.540 8.540 7.630 0.910 18329 7532 1 9 . 1 1 28 28 LYS N N 51 121.960 121.960 118.747 3.213 18329 7533 1 9 . 1 1 28 28 LYS HA H 51 4.090 4.090 3.953 0.137 18329 7534 1 9 . 1 1 28 28 LYS C C 51 179.200 179.200 179.090 0.110 18329 7535 1 9 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.249 0.051 18329 7536 1 9 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.311 -0.911 18329 7537 1 9 . 1 1 28 28 LYS H H 51 8.070 8.070 7.561 0.509 18329 7538 1 9 . 1 1 29 29 ASP N N 52 121.710 121.710 119.774 1.936 18329 7539 1 9 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.430 0.040 18329 7540 1 9 . 1 1 29 29 ASP C C 52 178.500 178.500 178.778 -0.278 18329 7541 1 9 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.791 0.209 18329 7542 1 9 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.394 0.606 18329 7543 1 9 . 1 1 29 29 ASP H H 52 8.340 8.340 7.899 0.441 18329 7544 1 9 . 1 1 30 30 ALA N N 53 121.990 121.990 121.799 0.191 18329 7545 1 9 . 1 1 30 30 ALA HA H 53 3.340 3.340 3.793 -0.453 18329 7546 1 9 . 1 1 30 30 ALA C C 53 179.500 179.500 179.363 0.137 18329 7547 1 9 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.710 0.390 18329 7548 1 9 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.080 0.020 18329 7549 1 9 . 1 1 30 30 ALA H H 53 8.800 8.800 8.359 0.441 18329 7550 1 9 . 1 1 31 31 ALA N N 54 119.970 119.970 120.229 -0.259 18329 7551 1 9 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.062 0.088 18329 7552 1 9 . 1 1 31 31 ALA C C 54 181.600 181.600 178.720 2.880 18329 7553 1 9 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.086 0.614 18329 7554 1 9 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.159 -0.359 18329 7555 1 9 . 1 1 31 31 ALA H H 54 7.730 7.730 7.242 0.488 18329 7556 1 9 . 1 1 32 32 LEU N N 55 119.660 119.660 116.796 2.864 18329 7557 1 9 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.055 0.085 18329 7558 1 9 . 1 1 32 32 LEU C C 55 179.100 179.100 177.412 1.688 18329 7559 1 9 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.251 0.749 18329 7560 1 9 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.872 0.028 18329 7561 1 9 . 1 1 32 32 LEU H H 55 7.660 7.660 7.286 0.374 18329 7562 1 9 . 1 1 33 33 LYS N N 56 117.160 117.160 117.522 -0.362 18329 7563 1 9 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.423 -0.213 18329 7564 1 9 . 1 1 33 33 LYS C C 56 176.600 176.600 175.810 0.790 18329 7565 1 9 . 1 1 33 33 LYS CA C 56 56.100 56.100 54.817 1.283 18329 7566 1 9 . 1 1 33 33 LYS CB C 56 33.200 33.200 34.630 -1.430 18329 7567 1 9 . 1 1 33 33 LYS H H 56 7.610 7.610 7.323 0.287 18329 7568 1 9 . 1 1 34 34 GLY N N 57 108.680 108.680 111.077 -2.397 18329 7569 1 9 . 1 1 34 34 GLY C C 57 174.400 174.400 174.138 0.262 18329 7570 1 9 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.583 0.617 18329 7571 1 9 . 1 1 34 34 GLY H H 57 7.710 7.710 8.552 -0.842 18329 7572 1 9 . 1 1 35 35 VAL N N 58 121.000 121.000 120.997 0.003 18329 7573 1 9 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.428 -0.528 18329 7574 1 9 . 1 1 35 35 VAL C C 58 174.200 174.200 175.544 -1.344 18329 7575 1 9 . 1 1 35 35 VAL CA C 58 61.500 61.500 59.008 2.492 18329 7576 1 9 . 1 1 35 35 VAL CB C 58 32.800 32.800 35.218 -2.418 18329 7577 1 9 . 1 1 35 35 VAL H H 58 7.990 7.990 7.653 0.337 18329 7578 1 9 . 1 1 36 36 ASN N N 59 124.960 124.960 120.478 4.482 18329 7579 1 9 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.692 -0.022 18329 7580 1 9 . 1 1 36 36 ASN C C 59 175.700 175.700 174.555 1.145 18329 7581 1 9 . 1 1 36 36 ASN CA C 59 51.600 51.600 52.431 -0.831 18329 7582 1 9 . 1 1 36 36 ASN CB C 59 39.100 39.100 37.050 2.050 18329 7583 1 9 . 1 1 36 36 ASN H H 59 8.460 8.460 8.496 -0.036 18329 7584 1 9 . 1 1 37 37 PHE N N 60 124.460 124.460 122.172 2.288 18329 7585 1 9 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.138 0.002 18329 7586 1 9 . 1 1 37 37 PHE C C 60 177.000 177.000 175.360 1.640 18329 7587 1 9 . 1 1 37 37 PHE CA C 60 60.400 60.400 60.587 -0.187 18329 7588 1 9 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.727 -0.527 18329 7589 1 9 . 1 1 37 37 PHE H H 60 8.780 8.780 7.939 0.841 18329 7590 1 9 . 1 1 38 38 ASP N N 61 119.270 119.270 117.730 1.540 18329 7591 1 9 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.743 -0.253 18329 7592 1 9 . 1 1 38 38 ASP C C 61 177.000 177.000 174.664 2.336 18329 7593 1 9 . 1 1 38 38 ASP CA C 61 55.500 55.500 53.278 2.222 18329 7594 1 9 . 1 1 38 38 ASP CB C 61 40.000 40.000 38.985 1.015 18329 7595 1 9 . 1 1 38 38 ASP H H 61 8.400 8.400 8.482 -0.082 18329 7596 1 9 . 1 1 39 39 ALA N N 62 122.020 122.020 122.640 -0.620 18329 7597 1 9 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.595 -0.395 18329 7598 1 9 . 1 1 39 39 ALA C C 62 178.300 178.300 176.924 1.376 18329 7599 1 9 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.138 0.762 18329 7600 1 9 . 1 1 39 39 ALA CB C 62 18.500 18.500 19.764 -1.264 18329 7601 1 9 . 1 1 39 39 ALA H H 62 7.740 7.740 7.232 0.508 18329 7602 1 9 . 1 1 40 40 PHE N N 63 116.940 116.940 117.852 -0.912 18329 7603 1 9 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.164 0.216 18329 7604 1 9 . 1 1 40 40 PHE C C 63 176.100 176.100 175.554 0.546 18329 7605 1 9 . 1 1 40 40 PHE CA C 63 58.300 58.300 57.907 0.393 18329 7606 1 9 . 1 1 40 40 PHE CB C 63 38.800 38.800 36.299 2.501 18329 7607 1 9 . 1 1 40 40 PHE H H 63 7.730 7.730 8.029 -0.299 18329 7608 1 9 . 1 1 41 41 LYS N N 64 119.840 119.840 120.062 -0.222 18329 7609 1 9 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.175 0.045 18329 7610 1 9 . 1 1 41 41 LYS C C 64 176.100 176.100 175.630 0.470 18329 7611 1 9 . 1 1 41 41 LYS CA C 64 56.600 56.600 57.481 -0.881 18329 7612 1 9 . 1 1 41 41 LYS CB C 64 32.900 32.900 32.480 0.420 18329 7613 1 9 . 1 1 41 41 LYS H H 64 7.650 7.650 8.236 -0.586 18329 7614 1 9 . 1 1 42 42 ASP N N 65 120.770 120.770 117.546 3.224 18329 7615 1 9 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.645 -0.075 18329 7616 1 9 . 1 1 42 42 ASP C C 65 176.100 176.100 174.469 1.631 18329 7617 1 9 . 1 1 42 42 ASP CA C 65 54.200 54.200 53.263 0.937 18329 7618 1 9 . 1 1 42 42 ASP CB C 65 40.900 40.900 42.752 -1.852 18329 7619 1 9 . 1 1 42 42 ASP H H 65 8.030 8.030 7.755 0.275 18329 7620 1 9 . 1 1 43 43 LYS N N 66 122.070 122.070 121.641 0.429 18329 7621 1 9 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.337 -0.057 18329 7622 1 9 . 1 1 43 43 LYS C C 66 176.800 176.800 176.225 0.575 18329 7623 1 9 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.559 -0.059 18329 7624 1 9 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.948 -0.148 18329 7625 1 9 . 1 1 43 43 LYS H H 66 8.180 8.180 8.366 -0.186 18329 7626 1 9 . 1 1 44 44 LYS N N 67 122.170 122.170 123.214 -1.044 18329 7627 1 9 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.494 -0.144 18329 7628 1 9 . 1 1 44 44 LYS C C 67 177.000 177.000 176.954 0.046 18329 7629 1 9 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.158 0.442 18329 7630 1 9 . 1 1 44 44 LYS CB C 67 32.800 32.800 33.071 -0.271 18329 7631 1 9 . 1 1 44 44 LYS H H 67 8.460 8.460 8.576 -0.116 18329 7632 1 9 . 1 1 45 45 THR N N 68 114.390 114.390 112.695 1.695 18329 7633 1 9 . 1 1 45 45 THR HA H 68 4.330 4.330 4.054 0.276 18329 7634 1 9 . 1 1 45 45 THR C C 68 175.200 175.200 174.153 1.047 18329 7635 1 9 . 1 1 45 45 THR CA C 68 62.000 62.000 63.313 -1.313 18329 7636 1 9 . 1 1 45 45 THR CB C 68 69.900 69.900 68.995 0.905 18329 7637 1 9 . 1 1 45 45 THR H H 68 8.120 8.120 8.396 -0.276 18329 7638 1 9 . 1 1 46 46 GLY N N 69 111.200 111.200 106.990 4.210 18329 7639 1 9 . 1 1 46 46 GLY CA C 69 45.200 45.200 44.735 0.465 18329 7640 1 9 . 1 1 46 46 GLY H H 69 8.450 8.450 7.549 0.901 18329 7641 1 9 . 1 1 47 47 SER CA C 70 58.400 58.400 58.668 -0.268 18329 7642 1 9 . 1 1 47 47 SER CB C 70 64.000 64.000 62.825 1.175 18329 7643 1 9 . 1 1 48 48 GLY N N 71 111.200 111.200 110.930 0.270 18329 7644 1 9 . 1 1 48 48 GLY CA C 71 45.000 45.000 45.651 -0.651 18329 7645 1 9 . 1 1 48 48 GLY H H 71 8.580 8.580 8.987 -0.407 18329 7646 1 9 . 1 1 49 49 VAL N N 72 118.910 118.910 116.406 2.504 18329 7647 1 9 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.246 -0.116 18329 7648 1 9 . 1 1 49 49 VAL C C 72 176.100 176.100 176.255 -0.155 18329 7649 1 9 . 1 1 49 49 VAL CA C 72 62.100 62.100 61.908 0.192 18329 7650 1 9 . 1 1 49 49 VAL CB C 72 32.500 32.500 33.556 -1.056 18329 7651 1 9 . 1 1 49 49 VAL H H 72 7.860 7.860 7.255 0.605 18329 7652 1 9 . 1 1 50 50 SER N N 73 118.500 118.500 116.397 2.103 18329 7653 1 9 . 1 1 50 50 SER C C 73 176.100 176.100 175.306 0.794 18329 7654 1 9 . 1 1 50 50 SER CA C 73 58.300 58.300 60.720 -2.420 18329 7655 1 9 . 1 1 50 50 SER CB C 73 63.800 63.800 63.561 0.239 18329 7656 1 9 . 1 1 50 50 SER H H 73 8.300 8.300 7.915 0.385 18329 7657 1 9 . 1 1 51 51 GLU N N 74 122.560 122.560 118.973 3.587 18329 7658 1 9 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.458 -0.188 18329 7659 1 9 . 1 1 51 51 GLU CA C 74 55.700 55.700 55.615 0.085 18329 7660 1 9 . 1 1 51 51 GLU CB C 74 30.500 30.500 32.125 -1.625 18329 7661 1 9 . 1 1 51 51 GLU H H 74 8.360 8.360 7.801 0.559 18329 7662 1 9 . 1 1 52 52 ASN N N 75 122.830 122.830 118.341 4.489 18329 7663 1 9 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.995 -0.175 18329 7664 1 9 . 1 1 52 52 ASN C C 75 174.800 174.800 174.495 0.305 18329 7665 1 9 . 1 1 52 52 ASN CA C 75 51.400 51.400 51.555 -0.155 18329 7666 1 9 . 1 1 52 52 ASN CB C 75 39.200 39.200 38.276 0.924 18329 7667 1 9 . 1 1 52 52 ASN H H 75 8.450 8.450 8.403 0.047 18329 7668 1 9 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.485 -0.305 18329 7669 1 9 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.132 1.068 18329 7670 1 9 . 1 1 53 53 PRO CB C 76 32.000 32.000 32.080 -0.080 18329 7671 1 9 . 1 1 54 54 PHE N N 77 118.060 118.060 120.835 -2.775 18329 7672 1 9 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.298 -0.028 18329 7673 1 9 . 1 1 54 54 PHE C C 77 177.500 177.500 177.173 0.327 18329 7674 1 9 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.866 -0.366 18329 7675 1 9 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.337 0.063 18329 7676 1 9 . 1 1 54 54 PHE H H 77 8.430 8.430 8.134 0.296 18329 7677 1 9 . 1 1 55 55 ILE N N 78 119.350 119.350 118.369 0.981 18329 7678 1 9 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.912 -0.412 18329 7679 1 9 . 1 1 55 55 ILE C C 78 177.400 177.400 177.784 -0.384 18329 7680 1 9 . 1 1 55 55 ILE CA C 78 63.500 63.500 64.408 -0.908 18329 7681 1 9 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.710 -0.710 18329 7682 1 9 . 1 1 55 55 ILE H H 78 7.540 7.540 7.902 -0.362 18329 7683 1 9 . 1 1 56 56 LEU N N 79 118.450 118.450 119.990 -1.540 18329 7684 1 9 . 1 1 56 56 LEU HA H 79 4.150 4.150 4.060 0.090 18329 7685 1 9 . 1 1 56 56 LEU C C 79 179.200 179.200 178.929 0.271 18329 7686 1 9 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.122 -0.322 18329 7687 1 9 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.389 -0.289 18329 7688 1 9 . 1 1 56 56 LEU H H 79 7.260 7.260 7.546 -0.286 18329 7689 1 9 . 1 1 57 57 GLU N N 80 117.980 117.980 118.231 -0.251 18329 7690 1 9 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.950 -0.300 18329 7691 1 9 . 1 1 57 57 GLU C C 80 178.700 178.700 178.820 -0.120 18329 7692 1 9 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.941 0.359 18329 7693 1 9 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.227 0.274 18329 7694 1 9 . 1 1 57 57 GLU H H 80 7.890 7.890 8.046 -0.156 18329 7695 1 9 . 1 1 58 58 ALA N N 81 122.040 122.040 121.794 0.246 18329 7696 1 9 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.959 -0.159 18329 7697 1 9 . 1 1 58 58 ALA C C 81 179.500 179.500 179.089 0.411 18329 7698 1 9 . 1 1 58 58 ALA CA C 81 55.200 55.200 55.153 0.047 18329 7699 1 9 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.300 0.500 18329 7700 1 9 . 1 1 58 58 ALA H H 81 8.400 8.400 7.871 0.529 18329 7701 1 9 . 1 1 59 59 LYS N N 82 116.000 116.000 117.700 -1.700 18329 7702 1 9 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.108 -0.258 18329 7703 1 9 . 1 1 59 59 LYS C C 82 180.300 180.300 178.427 1.873 18329 7704 1 9 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.046 2.054 18329 7705 1 9 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.173 0.027 18329 7706 1 9 . 1 1 59 59 LYS H H 82 8.000 8.000 7.569 0.431 18329 7707 1 9 . 1 1 60 60 VAL N N 83 122.920 122.920 118.394 4.526 18329 7708 1 9 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.699 -0.369 18329 7709 1 9 . 1 1 60 60 VAL C C 83 178.300 178.300 178.228 0.072 18329 7710 1 9 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.889 2.011 18329 7711 1 9 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.236 -0.036 18329 7712 1 9 . 1 1 60 60 VAL H H 83 8.110 8.110 7.198 0.912 18329 7713 1 9 . 1 1 61 61 ARG N N 84 121.770 121.770 120.626 1.144 18329 7714 1 9 . 1 1 61 61 ARG C C 84 179.500 179.500 178.362 1.138 18329 7715 1 9 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.259 -0.059 18329 7716 1 9 . 1 1 61 61 ARG CB C 84 30.800 30.800 30.022 0.778 18329 7717 1 9 . 1 1 61 61 ARG H H 84 8.710 8.710 7.462 1.248 18329 7718 1 9 . 1 1 62 62 ALA N N 85 119.450 119.450 119.050 0.400 18329 7719 1 9 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.072 -0.182 18329 7720 1 9 . 1 1 62 62 ALA C C 85 179.500 179.500 178.861 0.639 18329 7721 1 9 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.226 -0.226 18329 7722 1 9 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.331 0.669 18329 7723 1 9 . 1 1 62 62 ALA H H 85 8.700 8.700 7.780 0.920 18329 7724 1 9 . 1 1 63 63 THR N N 86 106.650 106.650 110.154 -3.504 18329 7725 1 9 . 1 1 63 63 THR HA H 86 3.970 3.970 4.168 -0.198 18329 7726 1 9 . 1 1 63 63 THR C C 86 177.700 177.700 176.491 1.209 18329 7727 1 9 . 1 1 63 63 THR CA C 86 66.000 66.000 65.734 0.266 18329 7728 1 9 . 1 1 63 63 THR CB C 86 68.200 68.200 68.169 0.030 18329 7729 1 9 . 1 1 63 63 THR H H 86 8.150 8.150 7.733 0.417 18329 7730 1 9 . 1 1 64 64 THR N N 87 120.430 120.430 119.781 0.649 18329 7731 1 9 . 1 1 64 64 THR HA H 87 4.050 4.050 4.052 -0.002 18329 7732 1 9 . 1 1 64 64 THR C C 87 176.800 176.800 176.566 0.234 18329 7733 1 9 . 1 1 64 64 THR CA C 87 67.300 67.300 67.670 -0.370 18329 7734 1 9 . 1 1 64 64 THR CB C 87 68.600 68.600 68.334 0.266 18329 7735 1 9 . 1 1 64 64 THR H H 87 7.920 7.920 7.324 0.596 18329 7736 1 9 . 1 1 65 65 VAL N N 88 119.230 119.230 118.946 0.284 18329 7737 1 9 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.855 0.125 18329 7738 1 9 . 1 1 65 65 VAL C C 88 178.500 178.500 177.429 1.071 18329 7739 1 9 . 1 1 65 65 VAL CA C 88 65.600 65.600 65.682 -0.082 18329 7740 1 9 . 1 1 65 65 VAL CB C 88 31.700 31.700 30.761 0.939 18329 7741 1 9 . 1 1 65 65 VAL H H 88 7.380 7.380 7.355 0.025 18329 7742 1 9 . 1 1 66 66 ALA N N 89 124.260 124.260 122.139 2.121 18329 7743 1 9 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.931 0.319 18329 7744 1 9 . 1 1 66 66 ALA C C 89 179.900 179.900 179.382 0.518 18329 7745 1 9 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.377 -0.477 18329 7746 1 9 . 1 1 66 66 ALA CB C 89 19.500 19.500 17.937 1.563 18329 7747 1 9 . 1 1 66 66 ALA H H 89 8.390 8.390 7.779 0.611 18329 7748 1 9 . 1 1 67 67 GLU N N 90 120.180 120.180 118.453 1.727 18329 7749 1 9 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.985 -0.265 18329 7750 1 9 . 1 1 67 67 GLU C C 90 177.600 177.600 178.960 -1.360 18329 7751 1 9 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.693 0.207 18329 7752 1 9 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.501 -1.201 18329 7753 1 9 . 1 1 67 67 GLU H H 90 8.520 8.520 8.457 0.063 18329 7754 1 9 . 1 1 68 68 LYS N N 91 116.340 116.340 118.424 -2.084 18329 7755 1 9 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.001 -0.041 18329 7756 1 9 . 1 1 68 68 LYS C C 91 179.200 179.200 179.167 0.033 18329 7757 1 9 . 1 1 68 68 LYS CA C 91 59.800 59.800 59.081 0.719 18329 7758 1 9 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.273 -0.273 18329 7759 1 9 . 1 1 68 68 LYS H H 91 7.210 7.210 7.385 -0.175 18329 7760 1 9 . 1 1 69 69 PHE N N 92 120.990 120.990 121.071 -0.081 18329 7761 1 9 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.197 0.313 18329 7762 1 9 . 1 1 69 69 PHE C C 92 175.100 175.100 177.034 -1.934 18329 7763 1 9 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.285 -1.485 18329 7764 1 9 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.358 -0.158 18329 7765 1 9 . 1 1 69 69 PHE H H 92 7.180 7.180 7.831 -0.651 18329 7766 1 9 . 1 1 70 70 VAL N N 93 120.330 120.330 118.333 1.997 18329 7767 1 9 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.491 -0.401 18329 7768 1 9 . 1 1 70 70 VAL C C 93 177.500 177.500 178.007 -0.507 18329 7769 1 9 . 1 1 70 70 VAL CA C 93 66.900 66.900 65.985 0.915 18329 7770 1 9 . 1 1 70 70 VAL CB C 93 31.400 31.400 30.649 0.751 18329 7771 1 9 . 1 1 70 70 VAL H H 93 7.930 7.930 7.911 0.019 18329 7772 1 9 . 1 1 71 71 ILE N N 94 120.410 120.410 119.758 0.652 18329 7773 1 9 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.728 0.102 18329 7774 1 9 . 1 1 71 71 ILE C C 94 177.700 177.700 178.647 -0.947 18329 7775 1 9 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.498 0.502 18329 7776 1 9 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.323 -0.023 18329 7777 1 9 . 1 1 71 71 ILE H H 94 8.180 8.180 7.636 0.544 18329 7778 1 9 . 1 1 72 72 ALA N N 95 122.440 122.440 123.154 -0.714 18329 7779 1 9 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.945 0.015 18329 7780 1 9 . 1 1 72 72 ALA C C 95 179.600 179.600 179.376 0.224 18329 7781 1 9 . 1 1 72 72 ALA CA C 95 55.900 55.900 54.934 0.967 18329 7782 1 9 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.596 -0.396 18329 7783 1 9 . 1 1 72 72 ALA H H 95 7.340 7.340 7.464 -0.124 18329 7784 1 9 . 1 1 73 73 ILE N N 96 119.330 119.330 117.023 2.307 18329 7785 1 9 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.553 -0.113 18329 7786 1 9 . 1 1 73 73 ILE C C 96 177.400 177.400 177.753 -0.353 18329 7787 1 9 . 1 1 73 73 ILE CA C 96 62.800 62.800 62.995 -0.195 18329 7788 1 9 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.178 -1.778 18329 7789 1 9 . 1 1 73 73 ILE H H 96 7.820 7.820 7.366 0.454 18329 7790 1 9 . 1 1 74 74 GLU N N 97 118.440 118.440 118.889 -0.449 18329 7791 1 9 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.875 -0.185 18329 7792 1 9 . 1 1 74 74 GLU C C 97 180.500 180.500 178.817 1.683 18329 7793 1 9 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.681 0.019 18329 7794 1 9 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.204 0.496 18329 7795 1 9 . 1 1 74 74 GLU H H 97 8.380 8.380 7.748 0.632 18329 7796 1 9 . 1 1 75 75 GLU N N 98 120.470 120.470 118.902 1.568 18329 7797 1 9 . 1 1 75 75 GLU HA H 98 3.940 3.940 3.995 -0.055 18329 7798 1 9 . 1 1 75 75 GLU C C 98 180.600 180.600 178.919 1.681 18329 7799 1 9 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.321 0.380 18329 7800 1 9 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.389 0.811 18329 7801 1 9 . 1 1 75 75 GLU H H 98 8.800 8.800 7.437 1.363 18329 7802 1 9 . 1 1 76 76 GLU N N 99 119.230 119.230 118.790 0.440 18329 7803 1 9 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.047 0.093 18329 7804 1 9 . 1 1 76 76 GLU C C 99 178.900 178.900 178.800 0.100 18329 7805 1 9 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.789 -0.189 18329 7806 1 9 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.052 0.248 18329 7807 1 9 . 1 1 76 76 GLU H H 99 8.840 8.840 7.635 1.205 18329 7808 1 9 . 1 1 77 77 ALA N N 100 121.950 121.950 122.242 -0.292 18329 7809 1 9 . 1 1 77 77 ALA HA H 100 4.000 4.000 3.959 0.041 18329 7810 1 9 . 1 1 77 77 ALA C C 100 179.000 179.000 179.489 -0.489 18329 7811 1 9 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.255 1.045 18329 7812 1 9 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.062 -1.262 18329 7813 1 9 . 1 1 77 77 ALA H H 100 9.400 9.400 7.748 1.652 18329 7814 1 9 . 1 1 78 78 THR N N 101 111.820 111.820 113.718 -1.898 18329 7815 1 9 . 1 1 78 78 THR HA H 101 3.750 3.750 4.035 -0.285 18329 7816 1 9 . 1 1 78 78 THR CA C 101 67.500 67.500 65.692 1.808 18329 7817 1 9 . 1 1 78 78 THR CB C 101 68.600 68.600 68.637 -0.037 18329 7818 1 9 . 1 1 78 78 THR H H 101 7.770 7.770 7.576 0.194 18329 7819 1 9 . 1 1 79 79 LYS N N 102 122.940 122.940 121.987 0.953 18329 7820 1 9 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.150 -0.060 18329 7821 1 9 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.166 1.034 18329 7822 1 9 . 1 1 79 79 LYS CB C 102 32.500 32.500 31.958 0.542 18329 7823 1 9 . 1 1 79 79 LYS H H 102 7.870 7.870 7.544 0.326 18329 7824 1 9 . 1 1 80 80 LEU N N 103 117.690 117.690 117.546 0.144 18329 7825 1 9 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.154 0.336 18329 7826 1 9 . 1 1 80 80 LEU C C 103 178.140 178.140 176.294 1.846 18329 7827 1 9 . 1 1 80 80 LEU CA C 103 54.000 54.000 55.407 -1.407 18329 7828 1 9 . 1 1 80 80 LEU CB C 103 43.100 43.100 41.630 1.470 18329 7829 1 9 . 1 1 80 80 LEU H H 103 7.550 7.550 8.210 -0.660 18329 7830 1 9 . 1 1 81 81 LYS N N 104 122.210 122.210 119.282 2.928 18329 7831 1 9 . 1 1 81 81 LYS HA H 104 3.930 3.930 4.061 -0.131 18329 7832 1 9 . 1 1 81 81 LYS C C 104 178.000 178.000 176.139 1.861 18329 7833 1 9 . 1 1 81 81 LYS CA C 104 61.300 61.300 57.488 3.812 18329 7834 1 9 . 1 1 81 81 LYS CB C 104 32.800 32.800 32.715 0.085 18329 7835 1 9 . 1 1 81 81 LYS H H 104 7.500 7.500 7.271 0.229 18329 7836 1 9 . 1 1 82 82 GLU N N 105 114.920 114.920 118.130 -3.210 18329 7837 1 9 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.094 0.466 18329 7838 1 9 . 1 1 82 82 GLU C C 105 177.900 177.900 175.818 2.082 18329 7839 1 9 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.964 -0.304 18329 7840 1 9 . 1 1 82 82 GLU CB C 105 30.400 30.400 28.197 2.203 18329 7841 1 9 . 1 1 82 82 GLU H H 105 8.780 8.780 8.975 -0.195 18329 7842 1 9 . 1 1 83 83 THR N N 106 107.260 107.260 110.902 -3.642 18329 7843 1 9 . 1 1 83 83 THR HA H 106 4.550 4.550 4.408 0.142 18329 7844 1 9 . 1 1 83 83 THR C C 106 176.300 176.300 174.841 1.459 18329 7845 1 9 . 1 1 83 83 THR CA C 106 61.900 61.900 62.466 -0.566 18329 7846 1 9 . 1 1 83 83 THR CB C 106 70.400 70.400 68.757 1.643 18329 7847 1 9 . 1 1 83 83 THR H H 106 7.570 7.570 8.190 -0.620 18329 7848 1 9 . 1 1 84 84 GLY N N 107 112.110 112.110 110.642 1.468 18329 7849 1 9 . 1 1 84 84 GLY C C 107 172.800 172.800 173.518 -0.718 18329 7850 1 9 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.287 0.113 18329 7851 1 9 . 1 1 84 84 GLY H H 107 9.000 9.000 8.066 0.934 18329 7852 1 9 . 1 1 85 85 SER N N 108 119.030 119.030 113.271 5.759 18329 7853 1 9 . 1 1 85 85 SER CA C 108 56.300 56.300 58.941 -2.641 18329 7854 1 9 . 1 1 85 85 SER CB C 108 66.300 66.300 62.667 3.632 18329 7855 1 9 . 1 1 85 85 SER H H 108 8.950 8.950 8.247 0.703 18329 7856 1 9 . 1 1 86 86 SER HA H 109 4.480 4.480 3.947 0.533 18329 7857 1 9 . 1 1 86 86 SER C C 109 177.000 177.000 176.167 0.833 18329 7858 1 9 . 1 1 86 86 SER CA C 109 61.600 61.600 58.111 3.489 18329 7859 1 9 . 1 1 86 86 SER CB C 109 62.900 62.900 63.623 -0.723 18329 7860 1 9 . 1 1 87 87 GLY N N 110 108.100 108.100 111.059 -2.959 18329 7861 1 9 . 1 1 87 87 GLY C C 110 177.100 177.100 176.129 0.971 18329 7862 1 9 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.922 -0.722 18329 7863 1 9 . 1 1 87 87 GLY H H 110 8.480 8.480 8.102 0.378 18329 7864 1 9 . 1 1 88 88 GLU N N 111 123.040 123.040 121.030 2.010 18329 7865 1 9 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.191 -0.501 18329 7866 1 9 . 1 1 88 88 GLU C C 111 177.700 177.700 179.139 -1.439 18329 7867 1 9 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.721 0.779 18329 7868 1 9 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.177 -0.477 18329 7869 1 9 . 1 1 88 88 GLU H H 111 7.560 7.560 8.554 -0.994 18329 7870 1 9 . 1 1 89 89 PHE N N 112 118.270 118.270 118.194 0.076 18329 7871 1 9 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.342 0.078 18329 7872 1 9 . 1 1 89 89 PHE C C 112 178.600 178.600 177.821 0.779 18329 7873 1 9 . 1 1 89 89 PHE CA C 112 61.100 61.100 60.790 0.310 18329 7874 1 9 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.368 -0.468 18329 7875 1 9 . 1 1 89 89 PHE H H 112 7.200 7.200 8.368 -1.168 18329 7876 1 9 . 1 1 90 90 SER N N 113 115.980 115.980 115.415 0.565 18329 7877 1 9 . 1 1 90 90 SER HA H 113 4.290 4.290 4.212 0.078 18329 7878 1 9 . 1 1 90 90 SER C C 113 178.600 178.600 176.623 1.977 18329 7879 1 9 . 1 1 90 90 SER CA C 113 62.700 62.700 61.712 0.988 18329 7880 1 9 . 1 1 90 90 SER CB C 113 62.800 62.800 62.626 0.174 18329 7881 1 9 . 1 1 90 90 SER H H 113 8.830 8.830 8.027 0.803 18329 7882 1 9 . 1 1 91 91 ALA N N 114 123.130 123.130 123.171 -0.041 18329 7883 1 9 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.144 0.236 18329 7884 1 9 . 1 1 91 91 ALA C C 114 181.300 181.300 179.454 1.846 18329 7885 1 9 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.718 -0.018 18329 7886 1 9 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.292 0.108 18329 7887 1 9 . 1 1 91 91 ALA H H 114 7.580 7.580 7.601 -0.021 18329 7888 1 9 . 1 1 92 92 MET N N 115 118.700 118.700 118.904 -0.204 18329 7889 1 9 . 1 1 92 92 MET HA H 115 3.980 3.980 4.234 -0.254 18329 7890 1 9 . 1 1 92 92 MET C C 115 178.000 178.000 177.786 0.214 18329 7891 1 9 . 1 1 92 92 MET CA C 115 61.000 61.000 57.611 3.389 18329 7892 1 9 . 1 1 92 92 MET CB C 115 31.400 31.400 32.583 -1.183 18329 7893 1 9 . 1 1 92 92 MET H H 115 7.880 7.880 7.723 0.157 18329 7894 1 9 . 1 1 93 93 TYR N N 116 119.200 119.200 120.591 -1.391 18329 7895 1 9 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.073 0.207 18329 7896 1 9 . 1 1 93 93 TYR C C 116 176.300 176.300 177.500 -1.200 18329 7897 1 9 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.849 0.251 18329 7898 1 9 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.508 -0.208 18329 7899 1 9 . 1 1 93 93 TYR H H 116 7.870 7.870 8.762 -0.892 18329 7900 1 9 . 1 1 94 94 ASP N N 117 120.210 120.210 119.068 1.142 18329 7901 1 9 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.446 -0.256 18329 7902 1 9 . 1 1 94 94 ASP C C 117 179.000 179.000 178.307 0.693 18329 7903 1 9 . 1 1 94 94 ASP CA C 117 57.700 57.700 56.880 0.820 18329 7904 1 9 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.471 -0.471 18329 7905 1 9 . 1 1 94 94 ASP H H 117 8.720 8.720 8.484 0.236 18329 7906 1 9 . 1 1 95 95 LEU N N 118 118.420 118.420 120.199 -1.779 18329 7907 1 9 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.143 0.067 18329 7908 1 9 . 1 1 95 95 LEU C C 118 178.600 178.600 178.710 -0.110 18329 7909 1 9 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.941 -0.241 18329 7910 1 9 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.411 1.689 18329 7911 1 9 . 1 1 95 95 LEU H H 118 7.510 7.510 7.308 0.202 18329 7912 1 9 . 1 1 96 96 MET N N 119 118.470 118.470 119.290 -0.820 18329 7913 1 9 . 1 1 96 96 MET HA H 119 3.990 3.990 4.150 -0.160 18329 7914 1 9 . 1 1 96 96 MET C C 119 177.500 177.500 178.418 -0.918 18329 7915 1 9 . 1 1 96 96 MET CA C 119 60.500 60.500 57.784 2.716 18329 7916 1 9 . 1 1 96 96 MET CB C 119 33.900 33.900 31.793 2.107 18329 7917 1 9 . 1 1 96 96 MET H H 119 7.820 7.820 7.858 -0.038 18329 7918 1 9 . 1 1 97 97 PHE N N 120 119.580 119.580 119.808 -0.228 18329 7919 1 9 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.020 -0.210 18329 7920 1 9 . 1 1 97 97 PHE C C 120 178.800 178.800 176.891 1.909 18329 7921 1 9 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.681 0.119 18329 7922 1 9 . 1 1 97 97 PHE CB C 120 39.200 39.200 39.271 -0.071 18329 7923 1 9 . 1 1 97 97 PHE H H 120 8.940 8.940 7.624 1.316 18329 7924 1 9 . 1 1 98 98 GLU N N 121 119.940 119.940 118.577 1.363 18329 7925 1 9 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.031 -0.151 18329 7926 1 9 . 1 1 98 98 GLU C C 121 180.800 180.800 178.869 1.931 18329 7927 1 9 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.325 0.475 18329 7928 1 9 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.476 -0.276 18329 7929 1 9 . 1 1 98 98 GLU H H 121 8.690 8.690 7.998 0.692 18329 7930 1 9 . 1 1 99 99 VAL N N 122 115.350 115.350 114.009 1.341 18329 7931 1 9 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.799 -0.059 18329 7932 1 9 . 1 1 99 99 VAL C C 122 176.500 176.500 177.539 -1.039 18329 7933 1 9 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.522 -0.022 18329 7934 1 9 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.080 0.220 18329 7935 1 9 . 1 1 99 99 VAL H H 122 8.210 8.210 7.809 0.401 18329 7936 1 9 . 1 1 100 100 SER N N 123 115.450 115.450 115.790 -0.340 18329 7937 1 9 . 1 1 100 100 SER HA H 123 4.270 4.270 4.043 0.227 18329 7938 1 9 . 1 1 100 100 SER C C 123 174.700 174.700 176.141 -1.441 18329 7939 1 9 . 1 1 100 100 SER CA C 123 62.000 62.000 60.984 1.016 18329 7940 1 9 . 1 1 100 100 SER H H 123 7.520 7.520 7.561 -0.041 18329 7941 1 9 . 1 1 101 101 LYS N N 124 120.310 120.310 121.317 -1.007 18329 7942 1 9 . 1 1 101 101 LYS HA H 124 3.970 3.970 3.978 -0.008 18329 7943 1 9 . 1 1 101 101 LYS C C 124 176.600 176.600 175.606 0.994 18329 7944 1 9 . 1 1 101 101 LYS CA C 124 61.100 61.100 61.299 -0.199 18329 7945 1 9 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.636 -2.136 18329 7946 1 9 . 1 1 101 101 LYS H H 124 6.930 6.930 7.264 -0.334 18329 7947 1 9 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.121 0.139 18329 7948 1 9 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.830 -0.630 18329 7949 1 9 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.122 -0.522 18329 7950 1 9 . 1 1 103 103 LEU N N 126 116.020 116.020 115.424 0.596 18329 7951 1 9 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.083 -0.203 18329 7952 1 9 . 1 1 103 103 LEU C C 126 177.900 177.900 178.927 -1.027 18329 7953 1 9 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.717 -0.017 18329 7954 1 9 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.270 0.530 18329 7955 1 9 . 1 1 103 103 LEU H H 126 6.520 6.520 7.279 -0.759 18329 7956 1 9 . 1 1 104 104 GLN N N 127 120.500 120.500 118.832 1.668 18329 7957 1 9 . 1 1 104 104 GLN C C 127 180.600 180.600 177.862 2.738 18329 7958 1 9 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.108 0.192 18329 7959 1 9 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.395 0.605 18329 7960 1 9 . 1 1 104 104 GLN H H 127 8.160 8.160 8.008 0.152 18329 7961 1 9 . 1 1 105 105 LYS N N 128 120.000 120.000 116.240 3.760 18329 7962 1 9 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.037 0.013 18329 7963 1 9 . 1 1 105 105 LYS C C 128 177.100 177.100 177.301 -0.201 18329 7964 1 9 . 1 1 105 105 LYS CA C 128 58.500 58.500 57.991 0.509 18329 7965 1 9 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.459 -1.060 18329 7966 1 9 . 1 1 105 105 LYS H H 128 7.810 7.810 7.580 0.230 18329 7967 1 9 . 1 1 106 106 LEU N N 129 118.530 118.530 117.075 1.455 18329 7968 1 9 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.268 -0.298 18329 7969 1 9 . 1 1 106 106 LEU C C 129 175.200 175.200 176.333 -1.133 18329 7970 1 9 . 1 1 106 106 LEU CA C 129 54.500 54.500 55.629 -1.129 18329 7971 1 9 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.807 -1.407 18329 7972 1 9 . 1 1 106 106 LEU H H 129 7.220 7.220 7.315 -0.095 18329 7973 1 9 . 1 1 107 107 GLY N N 130 101.490 101.490 103.154 -1.664 18329 7974 1 9 . 1 1 107 107 GLY C C 130 174.800 174.800 171.803 2.997 18329 7975 1 9 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.600 0.500 18329 7976 1 9 . 1 1 107 107 GLY H H 130 7.560 7.560 8.063 -0.503 18329 7977 1 9 . 1 1 108 108 ILE N N 131 121.340 121.340 116.910 4.430 18329 7978 1 9 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.754 0.396 18329 7979 1 9 . 1 1 108 108 ILE C C 131 174.300 174.300 174.839 -0.539 18329 7980 1 9 . 1 1 108 108 ILE CA C 131 60.400 60.400 63.105 -2.705 18329 7981 1 9 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.883 -2.683 18329 7982 1 9 . 1 1 108 108 ILE H H 131 7.290 7.290 8.238 -0.948 18329 7983 1 9 . 1 1 109 109 GLN N N 132 125.650 125.650 120.321 5.329 18329 7984 1 9 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.304 -0.294 18329 7985 1 9 . 1 1 109 109 GLN C C 132 176.800 176.800 174.767 2.033 18329 7986 1 9 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.891 1.709 18329 7987 1 9 . 1 1 109 109 GLN CB C 132 29.000 29.000 31.819 -2.819 18329 7988 1 9 . 1 1 109 109 GLN H H 132 8.080 8.080 8.429 -0.349 18329 7989 1 9 . 1 1 110 110 GLU N N 133 114.890 114.890 120.675 -5.785 18329 7990 1 9 . 1 1 110 110 GLU HA H 133 4.150 4.150 3.821 0.329 18329 7991 1 9 . 1 1 110 110 GLU C C 133 177.100 177.100 176.167 0.933 18329 7992 1 9 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.563 -0.463 18329 7993 1 9 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.941 -1.641 18329 7994 1 9 . 1 1 110 110 GLU H H 133 9.270 9.270 9.024 0.246 18329 7995 1 9 . 1 1 111 111 MET N N 134 121.210 121.210 117.158 4.052 18329 7996 1 9 . 1 1 111 111 MET HA H 134 4.350 4.350 4.109 0.241 18329 7997 1 9 . 1 1 111 111 MET C C 134 177.500 177.500 177.893 -0.393 18329 7998 1 9 . 1 1 111 111 MET CA C 134 57.900 57.900 59.065 -1.165 18329 7999 1 9 . 1 1 111 111 MET CB C 134 33.300 33.300 32.346 0.954 18329 8000 1 9 . 1 1 111 111 MET H H 134 7.620 7.620 8.399 -0.779 18329 8001 1 9 . 1 1 112 112 THR N N 135 113.170 113.170 109.729 3.441 18329 8002 1 9 . 1 1 112 112 THR HA H 135 3.920 3.920 4.102 -0.182 18329 8003 1 9 . 1 1 112 112 THR C C 135 176.400 176.400 176.438 -0.038 18329 8004 1 9 . 1 1 112 112 THR CA C 135 65.900 65.900 65.371 0.529 18329 8005 1 9 . 1 1 112 112 THR CB C 135 68.200 68.200 68.735 -0.535 18329 8006 1 9 . 1 1 112 112 THR H H 135 8.320 8.320 8.096 0.224 18329 8007 1 9 . 1 1 113 113 LYS N N 136 123.440 123.440 122.596 0.844 18329 8008 1 9 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.014 -0.084 18329 8009 1 9 . 1 1 113 113 LYS C C 136 177.600 177.600 178.834 -1.234 18329 8010 1 9 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.743 -1.443 18329 8011 1 9 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.040 -0.040 18329 8012 1 9 . 1 1 113 113 LYS H H 136 8.060 8.060 8.271 -0.211 18329 8013 1 9 . 1 1 114 114 THR N N 137 114.590 114.590 115.788 -1.198 18329 8014 1 9 . 1 1 114 114 THR HA H 137 4.000 4.000 4.001 -0.001 18329 8015 1 9 . 1 1 114 114 THR C C 137 176.800 176.800 176.145 0.655 18329 8016 1 9 . 1 1 114 114 THR CA C 137 67.600 67.600 67.319 0.281 18329 8017 1 9 . 1 1 114 114 THR CB C 137 69.200 69.200 68.671 0.529 18329 8018 1 9 . 1 1 114 114 THR H H 137 7.950 7.950 8.148 -0.198 18329 8019 1 9 . 1 1 115 115 VAL N N 138 119.080 119.080 121.214 -2.134 18329 8020 1 9 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.668 0.152 18329 8021 1 9 . 1 1 115 115 VAL C C 138 176.900 176.900 177.636 -0.736 18329 8022 1 9 . 1 1 115 115 VAL CA C 138 66.800 66.800 65.984 0.816 18329 8023 1 9 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.662 0.838 18329 8024 1 9 . 1 1 115 115 VAL H H 138 7.320 7.320 7.548 -0.228 18329 8025 1 9 . 1 1 116 116 SER N N 139 116.630 116.630 116.282 0.348 18329 8026 1 9 . 1 1 116 116 SER HA H 139 4.680 4.680 4.355 0.325 18329 8027 1 9 . 1 1 116 116 SER C C 139 179.000 179.000 176.391 2.609 18329 8028 1 9 . 1 1 116 116 SER CA C 139 61.400 61.400 61.965 -0.565 18329 8029 1 9 . 1 1 116 116 SER CB C 139 62.800 62.800 63.212 -0.412 18329 8030 1 9 . 1 1 116 116 SER H H 139 8.990 8.990 8.799 0.191 18329 8031 1 9 . 1 1 117 117 ASP N N 140 124.220 124.220 120.990 3.230 18329 8032 1 9 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.430 -0.070 18329 8033 1 9 . 1 1 117 117 ASP C C 140 179.900 179.900 177.607 2.293 18329 8034 1 9 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.981 0.319 18329 8035 1 9 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.975 -1.475 18329 8036 1 9 . 1 1 117 117 ASP H H 140 9.480 9.480 8.512 0.968 18329 8037 1 9 . 1 1 118 118 ALA N N 141 121.420 121.420 122.174 -0.754 18329 8038 1 9 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.113 0.167 18329 8039 1 9 . 1 1 118 118 ALA C C 141 179.800 179.800 179.282 0.518 18329 8040 1 9 . 1 1 118 118 ALA CA C 141 54.400 54.400 55.057 -0.657 18329 8041 1 9 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.368 0.632 18329 8042 1 9 . 1 1 118 118 ALA H H 141 7.340 7.340 7.200 0.140 18329 8043 1 9 . 1 1 119 119 ALA N N 142 121.680 121.680 120.092 1.588 18329 8044 1 9 . 1 1 119 119 ALA HA H 142 4.130 4.130 3.989 0.141 18329 8045 1 9 . 1 1 119 119 ALA C C 142 178.800 178.800 179.605 -0.805 18329 8046 1 9 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.669 -1.470 18329 8047 1 9 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.195 0.105 18329 8048 1 9 . 1 1 119 119 ALA H H 142 7.890 7.890 7.774 0.116 18329 8049 1 9 . 1 1 120 120 GLU N N 143 117.690 117.690 117.692 -0.002 18329 8050 1 9 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.111 -0.171 18329 8051 1 9 . 1 1 120 120 GLU C C 143 178.100 178.100 178.708 -0.608 18329 8052 1 9 . 1 1 120 120 GLU CA C 143 58.700 58.700 58.383 0.317 18329 8053 1 9 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.482 0.018 18329 8054 1 9 . 1 1 120 120 GLU H H 143 7.500 7.500 7.637 -0.137 18329 8055 1 9 . 1 1 121 121 GLU N N 144 115.680 115.680 120.477 -4.797 18329 8056 1 9 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.218 -0.058 18329 8057 1 9 . 1 1 121 121 GLU C C 144 176.100 176.100 177.421 -1.321 18329 8058 1 9 . 1 1 121 121 GLU CA C 144 56.900 56.900 58.069 -1.169 18329 8059 1 9 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.364 0.736 18329 8060 1 9 . 1 1 121 121 GLU H H 144 6.970 6.970 7.919 -0.949 18329 8061 1 9 . 1 1 122 122 ASN N N 145 117.750 117.750 116.059 1.691 18329 8062 1 9 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.097 -0.107 18329 8063 1 9 . 1 1 122 122 ASN C C 145 185.300 185.300 173.302 11.998 18329 8064 1 9 . 1 1 122 122 ASN CA C 145 50.200 50.200 50.631 -0.431 18329 8065 1 9 . 1 1 122 122 ASN CB C 145 41.100 41.100 38.736 2.364 18329 8066 1 9 . 1 1 122 122 ASN H H 145 7.670 7.670 8.454 -0.784 18329 8067 1 9 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.659 -0.029 18329 8068 1 9 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.091 -1.091 18329 8069 1 9 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.019 0.281 18329 8070 1 9 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.583 -0.143 18329 8071 1 9 . 1 1 124 124 PRO CA C 147 62.900 62.900 62.751 0.149 18329 8072 1 9 . 1 1 124 124 PRO CB C 147 28.400 28.400 32.595 -4.195 18329 8073 1 9 . 1 1 125 125 THR N N 148 106.090 106.090 112.231 -6.141 18329 8074 1 9 . 1 1 125 125 THR HA H 148 4.530 4.530 4.444 0.086 18329 8075 1 9 . 1 1 125 125 THR C C 148 174.300 174.300 173.762 0.538 18329 8076 1 9 . 1 1 125 125 THR CA C 148 61.200 61.200 61.438 -0.237 18329 8077 1 9 . 1 1 125 125 THR CB C 148 68.600 68.600 69.879 -1.279 18329 8078 1 9 . 1 1 125 125 THR H H 148 7.800 7.800 8.286 -0.486 18329 8079 1 9 . 1 1 126 126 THR N N 149 108.650 108.650 115.260 -6.610 18329 8080 1 9 . 1 1 126 126 THR HA H 149 4.170 4.170 4.671 -0.501 18329 8081 1 9 . 1 1 126 126 THR C C 149 173.100 173.100 174.948 -1.848 18329 8082 1 9 . 1 1 126 126 THR CA C 149 58.800 58.800 61.146 -2.346 18329 8083 1 9 . 1 1 126 126 THR CB C 149 73.100 73.100 71.947 1.153 18329 8084 1 9 . 1 1 126 126 THR H H 149 7.350 7.350 7.626 -0.276 18329 8085 1 9 . 1 1 127 127 ALA N N 150 123.270 123.270 126.815 -3.545 18329 8086 1 9 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.955 -0.935 18329 8087 1 9 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.842 -0.841 18329 8088 1 9 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.555 0.145 18329 8089 1 9 . 1 1 127 127 ALA H H 150 7.750 7.750 9.118 -1.368 18329 8090 1 9 . 1 1 128 128 GLN N N 151 114.920 114.920 116.162 -1.242 18329 8091 1 9 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.122 -0.372 18329 8092 1 9 . 1 1 128 128 GLN C C 151 178.400 178.400 178.272 0.128 18329 8093 1 9 . 1 1 128 128 GLN CA C 151 58.800 58.800 57.954 0.846 18329 8094 1 9 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.207 -1.007 18329 8095 1 9 . 1 1 128 128 GLN H H 151 8.300 8.300 8.592 -0.292 18329 8096 1 9 . 1 1 129 129 GLY N N 152 107.280 107.280 108.493 -1.213 18329 8097 1 9 . 1 1 129 129 GLY C C 152 174.900 174.900 176.753 -1.853 18329 8098 1 9 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.867 0.333 18329 8099 1 9 . 1 1 129 129 GLY H H 152 7.920 7.920 8.220 -0.300 18329 8100 1 9 . 1 1 130 130 VAL N N 153 119.440 119.440 122.819 -3.379 18329 8101 1 9 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.730 -0.260 18329 8102 1 9 . 1 1 130 130 VAL C C 153 177.700 177.700 177.750 -0.050 18329 8103 1 9 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.987 1.813 18329 8104 1 9 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.062 0.638 18329 8105 1 9 . 1 1 130 130 VAL H H 153 7.390 7.390 8.237 -0.847 18329 8106 1 9 . 1 1 131 131 LEU N N 154 118.990 118.990 117.974 1.016 18329 8107 1 9 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.805 0.105 18329 8108 1 9 . 1 1 131 131 LEU C C 154 180.400 180.400 178.884 1.516 18329 8109 1 9 . 1 1 131 131 LEU CA C 154 58.300 58.300 57.469 0.831 18329 8110 1 9 . 1 1 131 131 LEU CB C 154 41.000 41.000 40.607 0.393 18329 8111 1 9 . 1 1 131 131 LEU H H 154 8.640 8.640 7.542 1.098 18329 8112 1 9 . 1 1 132 132 GLU N N 155 120.980 120.980 119.372 1.608 18329 8113 1 9 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.037 0.083 18329 8114 1 9 . 1 1 132 132 GLU C C 155 179.400 179.400 179.152 0.248 18329 8115 1 9 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.238 -0.338 18329 8116 1 9 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.521 -0.321 18329 8117 1 9 . 1 1 132 132 GLU H H 155 8.000 8.000 7.630 0.370 18329 8118 1 9 . 1 1 133 133 ILE N N 156 121.830 121.830 119.311 2.519 18329 8119 1 9 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.905 -0.325 18329 8120 1 9 . 1 1 133 133 ILE C C 156 178.000 178.000 178.030 -0.030 18329 8121 1 9 . 1 1 133 133 ILE CA C 156 65.500 65.500 62.496 3.004 18329 8122 1 9 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.435 3.165 18329 8123 1 9 . 1 1 133 133 ILE H H 156 8.040 8.040 8.589 -0.549 18329 8124 1 9 . 1 1 134 134 ALA N N 157 121.470 121.470 123.607 -2.137 18329 8125 1 9 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.979 -0.079 18329 8126 1 9 . 1 1 134 134 ALA C C 157 178.800 178.800 179.426 -0.626 18329 8127 1 9 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.230 0.070 18329 8128 1 9 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.101 -0.001 18329 8129 1 9 . 1 1 134 134 ALA H H 157 8.950 8.950 7.651 1.299 18329 8130 1 9 . 1 1 135 135 LYS N N 158 118.470 118.470 118.699 -0.229 18329 8131 1 9 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.952 -0.042 18329 8132 1 9 . 1 1 135 135 LYS C C 158 179.300 179.300 178.704 0.596 18329 8133 1 9 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.666 -0.166 18329 8134 1 9 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.307 -0.907 18329 8135 1 9 . 1 1 135 135 LYS H H 158 8.000 8.000 7.854 0.146 18329 8136 1 9 . 1 1 136 136 LYS N N 159 118.000 118.000 119.043 -1.043 18329 8137 1 9 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.110 -0.060 18329 8138 1 9 . 1 1 136 136 LYS C C 159 180.200 180.200 179.129 1.071 18329 8139 1 9 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.010 0.490 18329 8140 1 9 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.424 -1.524 18329 8141 1 9 . 1 1 136 136 LYS H H 159 7.530 7.530 7.459 0.071 18329 8142 1 9 . 1 1 137 137 MET N N 160 120.990 120.990 119.722 1.268 18329 8143 1 9 . 1 1 137 137 MET HA H 160 3.800 3.800 4.062 -0.262 18329 8144 1 9 . 1 1 137 137 MET C C 160 177.400 177.400 178.244 -0.844 18329 8145 1 9 . 1 1 137 137 MET CA C 160 60.600 60.600 60.049 0.551 18329 8146 1 9 . 1 1 137 137 MET CB C 160 31.800 31.800 32.704 -0.904 18329 8147 1 9 . 1 1 137 137 MET H H 160 8.660 8.660 8.198 0.462 18329 8148 1 9 . 1 1 138 138 ARG N N 161 119.480 119.480 117.814 1.666 18329 8149 1 9 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.968 -0.168 18329 8150 1 9 . 1 1 138 138 ARG C C 161 177.900 177.900 178.513 -0.613 18329 8151 1 9 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.444 1.156 18329 8152 1 9 . 1 1 138 138 ARG CB C 161 29.800 29.800 29.782 0.018 18329 8153 1 9 . 1 1 138 138 ARG H H 161 9.280 9.280 8.268 1.012 18329 8154 1 9 . 1 1 139 139 GLU N N 162 118.700 118.700 120.292 -1.592 18329 8155 1 9 . 1 1 139 139 GLU HA H 162 4.000 4.000 3.974 0.026 18329 8156 1 9 . 1 1 139 139 GLU C C 162 179.100 179.100 178.280 0.820 18329 8157 1 9 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.467 0.333 18329 8158 1 9 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.458 0.042 18329 8159 1 9 . 1 1 139 139 GLU H H 162 8.430 8.430 7.733 0.697 18329 8160 1 9 . 1 1 140 140 LYS N N 163 119.310 119.310 119.863 -0.553 18329 8161 1 9 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.068 0.142 18329 8162 1 9 . 1 1 140 140 LYS C C 163 177.900 177.900 179.148 -1.248 18329 8163 1 9 . 1 1 140 140 LYS CA C 163 58.900 58.900 59.362 -0.462 18329 8164 1 9 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.424 -1.324 18329 8165 1 9 . 1 1 140 140 LYS H H 163 7.440 7.440 7.434 0.006 18329 8166 1 9 . 1 1 141 141 LEU N N 164 117.630 117.630 119.283 -1.653 18329 8167 1 9 . 1 1 141 141 LEU HA H 164 3.890 3.890 3.979 -0.089 18329 8168 1 9 . 1 1 141 141 LEU C C 164 178.700 178.700 178.913 -0.213 18329 8169 1 9 . 1 1 141 141 LEU CA C 164 58.000 58.000 58.163 -0.163 18329 8170 1 9 . 1 1 141 141 LEU CB C 164 41.500 41.500 40.887 0.613 18329 8171 1 9 . 1 1 141 141 LEU H H 164 8.180 8.180 7.673 0.507 18329 8172 1 9 . 1 1 142 142 GLN N N 165 117.710 117.710 118.119 -0.409 18329 8173 1 9 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.929 0.381 18329 8174 1 9 . 1 1 142 142 GLN C C 165 179.200 179.200 178.504 0.696 18329 8175 1 9 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.349 -0.848 18329 8176 1 9 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.621 -1.121 18329 8177 1 9 . 1 1 142 142 GLN H H 165 8.730 8.730 8.168 0.562 18329 8178 1 9 . 1 1 143 143 ARG N N 166 121.410 121.410 119.256 2.154 18329 8179 1 9 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.130 0.060 18329 8180 1 9 . 1 1 143 143 ARG C C 166 179.700 179.700 179.048 0.652 18329 8181 1 9 . 1 1 143 143 ARG CA C 166 59.800 59.800 58.714 1.087 18329 8182 1 9 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.919 0.281 18329 8183 1 9 . 1 1 143 143 ARG H H 166 8.050 8.050 7.913 0.137 18329 8184 1 9 . 1 1 144 144 VAL N N 167 120.950 120.950 120.389 0.561 18329 8185 1 9 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.596 0.164 18329 8186 1 9 . 1 1 144 144 VAL C C 167 179.200 179.200 177.610 1.590 18329 8187 1 9 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.978 -0.578 18329 8188 1 9 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.696 0.404 18329 8189 1 9 . 1 1 144 144 VAL H H 167 8.190 8.190 7.806 0.384 18329 8190 1 9 . 1 1 145 145 HIS N N 168 123.520 123.520 118.655 4.865 18329 8191 1 9 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.513 -0.613 18329 8192 1 9 . 1 1 145 145 HIS C C 168 177.100 177.100 177.697 -0.597 18329 8193 1 9 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.247 2.053 18329 8194 1 9 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.308 -0.408 18329 8195 1 9 . 1 1 145 145 HIS H H 168 9.240 9.240 8.117 1.123 18329 8196 1 9 . 1 1 146 146 THR N N 169 115.020 115.020 116.660 -1.640 18329 8197 1 9 . 1 1 146 146 THR HA H 169 3.860 3.860 4.138 -0.278 18329 8198 1 9 . 1 1 146 146 THR C C 169 175.700 175.700 176.485 -0.785 18329 8199 1 9 . 1 1 146 146 THR CA C 169 67.200 67.200 66.945 0.255 18329 8200 1 9 . 1 1 146 146 THR CB C 169 69.300 69.300 68.960 0.340 18329 8201 1 9 . 1 1 146 146 THR H H 169 8.750 8.750 8.670 0.080 18329 8202 1 9 . 1 1 147 147 LYS N N 170 120.300 120.300 120.400 -0.100 18329 8203 1 9 . 1 1 147 147 LYS HA H 170 4.000 4.000 4.061 -0.061 18329 8204 1 9 . 1 1 147 147 LYS C C 170 179.300 179.300 178.803 0.497 18329 8205 1 9 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.586 -0.486 18329 8206 1 9 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.140 -0.340 18329 8207 1 9 . 1 1 147 147 LYS H H 170 8.020 8.020 8.209 -0.189 18329 8208 1 9 . 1 1 148 148 ASN N N 171 117.600 117.600 118.352 -0.752 18329 8209 1 9 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.511 -0.191 18329 8210 1 9 . 1 1 148 148 ASN C C 171 175.400 175.400 177.707 -2.307 18329 8211 1 9 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.813 1.887 18329 8212 1 9 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.680 1.020 18329 8213 1 9 . 1 1 148 148 ASN H H 171 7.810 7.810 7.666 0.144 18329 8214 1 9 . 1 1 149 149 TYR N N 172 121.560 121.560 121.265 0.295 18329 8215 1 9 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.070 -0.180 18329 8216 1 9 . 1 1 149 149 TYR C C 172 176.900 176.900 177.230 -0.330 18329 8217 1 9 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.989 -0.489 18329 8218 1 9 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.560 0.359 18329 8219 1 9 . 1 1 149 149 TYR H H 172 9.020 9.020 7.719 1.301 18329 8220 1 9 . 1 1 150 150 CYS N N 173 116.050 116.050 117.967 -1.917 18329 8221 1 9 . 1 1 150 150 CYS C C 173 177.100 177.100 176.596 0.504 18329 8222 1 9 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.449 -3.049 18329 8223 1 9 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.489 12.111 18329 8224 1 9 . 1 1 150 150 CYS H H 173 8.810 8.810 8.093 0.717 18329 8225 1 9 . 1 1 151 151 THR N N 174 117.190 117.190 115.464 1.726 18329 8226 1 9 . 1 1 151 151 THR HA H 174 3.880 3.880 3.890 -0.010 18329 8227 1 9 . 1 1 151 151 THR C C 174 176.000 176.000 177.199 -1.199 18329 8228 1 9 . 1 1 151 151 THR CA C 174 66.900 66.900 65.690 1.210 18329 8229 1 9 . 1 1 151 151 THR CB C 174 68.500 68.500 68.524 -0.024 18329 8230 1 9 . 1 1 151 151 THR H H 174 7.720 7.720 8.027 -0.307 18329 8231 1 9 . 1 1 152 152 LEU N N 175 123.110 123.110 121.881 1.229 18329 8232 1 9 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.070 -0.260 18329 8233 1 9 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.129 0.871 18329 8234 1 9 . 1 1 152 152 LEU CB C 175 41.500 41.500 40.834 0.666 18329 8235 1 9 . 1 1 152 152 LEU H H 175 7.870 7.870 7.943 -0.073 18329 8236 1 9 . 1 1 153 153 LYS N N 176 117.270 117.270 118.349 -1.079 18329 8237 1 9 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.728 -0.028 18329 8238 1 9 . 1 1 153 153 LYS C C 176 179.100 179.100 178.163 0.937 18329 8239 1 9 . 1 1 153 153 LYS CA C 176 56.700 56.700 58.742 -2.042 18329 8240 1 9 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.515 -1.615 18329 8241 1 9 . 1 1 153 153 LYS H H 176 7.900 7.900 7.363 0.537 18329 8242 1 9 . 1 1 154 154 LYS N N 177 119.290 119.290 118.829 0.461 18329 8243 1 9 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.044 0.216 18329 8244 1 9 . 1 1 154 154 LYS C C 177 178.100 178.100 178.686 -0.586 18329 8245 1 9 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.342 -1.542 18329 8246 1 9 . 1 1 154 154 LYS CB C 177 31.800 31.800 32.387 -0.587 18329 8247 1 9 . 1 1 154 154 LYS H H 177 7.540 7.540 7.593 -0.053 18329 8248 1 9 . 1 1 155 155 LYS N N 178 118.910 118.910 117.984 0.926 18329 8249 1 9 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.110 -0.060 18329 8250 1 9 . 1 1 155 155 LYS C C 178 178.100 178.100 178.925 -0.825 18329 8251 1 9 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.522 -0.522 18329 8252 1 9 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.417 -0.217 18329 8253 1 9 . 1 1 155 155 LYS H H 178 7.630 7.630 7.806 -0.176 18329 8254 1 9 . 1 1 156 156 GLU N N 179 117.950 117.950 118.621 -0.671 18329 8255 1 9 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.074 0.036 18329 8256 1 9 . 1 1 156 156 GLU C C 179 176.700 176.700 177.865 -1.165 18329 8257 1 9 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.834 -1.334 18329 8258 1 9 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.866 -0.266 18329 8259 1 9 . 1 1 156 156 GLU H H 179 7.560 7.560 7.713 -0.153 18329 8260 1 9 . 1 1 157 157 ASN N N 180 116.590 116.590 113.314 3.276 18329 8261 1 9 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.810 -0.090 18329 8262 1 9 . 1 1 157 157 ASN C C 180 175.000 175.000 175.461 -0.461 18329 8263 1 9 . 1 1 157 157 ASN CA C 180 52.700 52.700 53.153 -0.453 18329 8264 1 9 . 1 1 157 157 ASN CB C 180 38.800 38.800 40.514 -1.714 18329 8265 1 9 . 1 1 157 157 ASN H H 180 7.820 7.820 7.662 0.158 18329 8266 1 9 . 1 1 158 158 SER HA H 181 4.450 4.450 4.135 0.315 18329 8267 1 9 . 1 1 158 158 SER CA C 181 60.400 60.400 60.147 0.253 18329 8268 1 9 . 1 1 158 158 SER CB C 181 63.500 63.500 61.932 1.568 18329 8269 1 9 . 1 1 158 158 SER H H 181 8.030 8.030 7.992 0.038 18329 8270 1 9 . 1 1 159 159 THR N N 182 112.800 112.800 113.717 -0.917 18329 8271 1 9 . 1 1 159 159 THR HA H 182 4.380 4.380 4.494 -0.114 18329 8272 1 9 . 1 1 159 159 THR C C 182 174.300 174.300 173.831 0.469 18329 8273 1 9 . 1 1 159 159 THR CA C 182 61.800 61.800 63.005 -1.205 18329 8274 1 9 . 1 1 159 159 THR CB C 182 69.100 69.100 68.014 1.086 18329 8275 1 9 . 1 1 159 159 THR H H 182 8.070 8.070 7.599 0.471 18329 8276 1 9 . 1 1 160 160 PHE N N 183 123.120 123.120 126.719 -3.599 18329 8277 1 9 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.723 -0.283 18329 8278 1 9 . 1 1 160 160 PHE C C 183 175.100 175.100 175.232 -0.132 18329 8279 1 9 . 1 1 160 160 PHE CA C 183 58.900 58.900 59.597 -0.697 18329 8280 1 9 . 1 1 160 160 PHE CB C 183 40.000 40.000 40.094 -0.094 18329 8281 1 9 . 1 1 160 160 PHE H H 183 7.900 7.900 8.190 -0.290 18329 8282 1 9 . 1 1 161 161 THR N N 184 119.330 119.330 117.874 1.456 18329 8283 1 9 . 1 1 161 161 THR HA H 184 4.190 4.190 4.014 0.176 18329 8284 1 9 . 1 1 161 161 THR CA C 184 60.700 60.700 64.207 -3.506 18329 8285 1 9 . 1 1 161 161 THR CB C 184 70.700 70.700 68.847 1.853 18329 8286 1 9 . 1 1 161 161 THR H H 184 7.810 7.810 7.772 0.038 18329 8287 1 9 . 1 1 162 162 ASP N N 185 123.190 123.190 119.382 3.808 18329 8288 1 9 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.450 -0.040 18329 8289 1 9 . 1 1 162 162 ASP C C 185 176.900 176.900 176.478 0.422 18329 8290 1 9 . 1 1 162 162 ASP CA C 185 53.900 53.900 55.913 -2.013 18329 8291 1 9 . 1 1 162 162 ASP CB C 185 44.000 44.000 40.557 3.443 18329 8292 1 9 . 1 1 162 162 ASP H H 185 8.000 8.000 8.392 -0.392 18329 8293 1 9 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.156 0.324 18329 8294 1 9 . 1 1 163 163 GLU CA C 186 58.800 58.800 55.690 3.110 18329 8295 1 9 . 1 1 163 163 GLU CB C 186 28.100 28.100 29.928 -1.828 18329 8296 1 9 . 1 1 166 166 LYS N N 189 118.150 118.150 121.767 -3.617 18329 8297 1 9 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.124 0.096 18329 8298 1 9 . 1 1 166 166 LYS C C 189 177.500 177.500 176.636 0.864 18329 8299 1 9 . 1 1 166 166 LYS CA C 189 58.000 58.000 58.260 -0.260 18329 8300 1 9 . 1 1 166 166 LYS CB C 189 32.600 32.600 32.787 -0.187 18329 8301 1 9 . 1 1 166 166 LYS H H 189 8.890 8.890 8.449 0.441 18329 8302 1 9 . 1 1 167 167 ASN N N 190 116.210 116.210 115.677 0.533 18329 8303 1 9 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.334 0.626 18329 8304 1 9 . 1 1 167 167 ASN C C 190 174.900 174.900 174.884 0.016 18329 8305 1 9 . 1 1 167 167 ASN CA C 190 52.900 52.900 54.772 -1.872 18329 8306 1 9 . 1 1 167 167 ASN CB C 190 38.400 38.400 37.423 0.977 18329 8307 1 9 . 1 1 167 167 ASN H H 190 8.030 8.030 8.407 -0.377 18329 8308 1 10 . 1 1 2 2 ALA N N 25 125.000 125.000 124.991 0.009 18329 8309 1 10 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.259 0.111 18329 8310 1 10 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.876 -0.576 18329 8311 1 10 . 1 1 2 2 ALA CB C 25 19.700 19.700 19.119 0.581 18329 8312 1 10 . 1 1 2 2 ALA H H 25 8.690 8.690 8.104 0.586 18329 8313 1 10 . 1 1 3 3 GLY N N 26 106.920 106.920 106.266 0.654 18329 8314 1 10 . 1 1 3 3 GLY CA C 26 44.000 44.000 44.194 -0.194 18329 8315 1 10 . 1 1 3 3 GLY H H 26 7.940 7.940 7.810 0.130 18329 8316 1 10 . 1 1 4 4 LEU N N 27 119.140 119.140 119.376 -0.236 18329 8317 1 10 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.824 -0.414 18329 8318 1 10 . 1 1 4 4 LEU C C 27 177.100 177.100 177.397 -0.297 18329 8319 1 10 . 1 1 4 4 LEU CA C 27 54.400 54.400 55.592 -1.192 18329 8320 1 10 . 1 1 4 4 LEU CB C 27 42.100 42.100 43.048 -0.948 18329 8321 1 10 . 1 1 4 4 LEU H H 27 8.210 8.210 8.244 -0.034 18329 8322 1 10 . 1 1 5 5 THR N N 28 112.940 112.940 113.495 -0.555 18329 8323 1 10 . 1 1 5 5 THR HA H 28 4.650 4.650 4.414 0.236 18329 8324 1 10 . 1 1 5 5 THR C C 28 175.500 175.500 173.906 1.594 18329 8325 1 10 . 1 1 5 5 THR CA C 28 60.100 60.100 61.897 -1.797 18329 8326 1 10 . 1 1 5 5 THR CB C 28 72.600 72.600 71.010 1.590 18329 8327 1 10 . 1 1 5 5 THR H H 28 9.220 9.220 8.135 1.085 18329 8328 1 10 . 1 1 6 6 GLY N N 29 108.230 108.230 108.898 -0.668 18329 8329 1 10 . 1 1 6 6 GLY C C 29 174.800 174.800 174.588 0.212 18329 8330 1 10 . 1 1 6 6 GLY CA C 29 46.000 46.000 45.447 0.553 18329 8331 1 10 . 1 1 6 6 GLY H H 29 8.520 8.520 8.466 0.054 18329 8332 1 10 . 1 1 7 7 ALA HA H 30 4.040 4.040 3.936 0.104 18329 8333 1 10 . 1 1 7 7 ALA CA C 30 54.800 54.800 53.712 1.088 18329 8334 1 10 . 1 1 7 7 ALA CB C 30 18.200 18.200 17.866 0.334 18329 8335 1 10 . 1 1 8 8 THR N N 31 116.970 116.970 114.202 2.768 18329 8336 1 10 . 1 1 8 8 THR HA H 31 3.740 3.740 3.982 -0.242 18329 8337 1 10 . 1 1 8 8 THR C C 31 175.300 175.300 176.123 -0.823 18329 8338 1 10 . 1 1 8 8 THR CA C 31 67.000 67.000 66.675 0.325 18329 8339 1 10 . 1 1 8 8 THR CB C 31 68.700 68.700 68.646 0.054 18329 8340 1 10 . 1 1 8 8 THR H H 31 8.110 8.110 7.970 0.140 18329 8341 1 10 . 1 1 9 9 LYS N N 32 120.540 120.540 121.178 -0.638 18329 8342 1 10 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.044 -0.454 18329 8343 1 10 . 1 1 9 9 LYS C C 32 176.900 176.900 178.604 -1.704 18329 8344 1 10 . 1 1 9 9 LYS CA C 32 59.800 59.800 60.054 -0.254 18329 8345 1 10 . 1 1 9 9 LYS CB C 32 32.400 32.400 32.048 0.352 18329 8346 1 10 . 1 1 9 9 LYS H H 32 6.860 6.860 8.290 -1.430 18329 8347 1 10 . 1 1 10 10 ILE N N 33 115.940 115.940 118.512 -2.572 18329 8348 1 10 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.921 -0.211 18329 8349 1 10 . 1 1 10 10 ILE C C 33 179.000 179.000 178.352 0.648 18329 8350 1 10 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.660 -0.660 18329 8351 1 10 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.616 0.384 18329 8352 1 10 . 1 1 10 10 ILE H H 33 7.380 7.380 8.052 -0.672 18329 8353 1 10 . 1 1 11 11 ARG N N 34 118.350 118.350 119.422 -1.072 18329 8354 1 10 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.011 0.029 18329 8355 1 10 . 1 1 11 11 ARG C C 34 180.000 180.000 179.148 0.852 18329 8356 1 10 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.837 -0.437 18329 8357 1 10 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.043 0.257 18329 8358 1 10 . 1 1 11 11 ARG H H 34 8.250 8.250 7.926 0.324 18329 8359 1 10 . 1 1 12 12 LEU N N 35 117.420 117.420 119.476 -2.056 18329 8360 1 10 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.155 0.015 18329 8361 1 10 . 1 1 12 12 LEU C C 35 179.000 179.000 179.243 -0.243 18329 8362 1 10 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.780 0.220 18329 8363 1 10 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.617 -0.818 18329 8364 1 10 . 1 1 12 12 LEU H H 35 8.340 8.340 7.689 0.651 18329 8365 1 10 . 1 1 13 13 GLU N N 36 117.890 117.890 119.799 -1.909 18329 8366 1 10 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.899 0.121 18329 8367 1 10 . 1 1 13 13 GLU C C 36 180.100 180.100 179.000 1.100 18329 8368 1 10 . 1 1 13 13 GLU CA C 36 60.200 60.200 60.083 0.117 18329 8369 1 10 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.510 -1.210 18329 8370 1 10 . 1 1 13 13 GLU H H 36 8.610 8.610 7.999 0.611 18329 8371 1 10 . 1 1 14 14 ARG N N 37 121.100 121.100 118.478 2.622 18329 8372 1 10 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.113 0.127 18329 8373 1 10 . 1 1 14 14 ARG C C 37 178.100 178.100 178.429 -0.329 18329 8374 1 10 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.199 -0.699 18329 8375 1 10 . 1 1 14 14 ARG CB C 37 30.200 30.200 29.927 0.273 18329 8376 1 10 . 1 1 14 14 ARG H H 37 7.980 7.980 8.270 -0.290 18329 8377 1 10 . 1 1 15 15 SER N N 38 115.420 115.420 116.161 -0.741 18329 8378 1 10 . 1 1 15 15 SER HA H 38 4.380 4.380 4.457 -0.077 18329 8379 1 10 . 1 1 15 15 SER C C 38 177.300 177.300 176.346 0.954 18329 8380 1 10 . 1 1 15 15 SER CA C 38 62.200 62.200 61.038 1.162 18329 8381 1 10 . 1 1 15 15 SER CB C 38 63.200 63.200 63.262 -0.062 18329 8382 1 10 . 1 1 15 15 SER H H 38 8.230 8.230 8.448 -0.218 18329 8383 1 10 . 1 1 16 16 ALA N N 39 123.970 123.970 123.291 0.679 18329 8384 1 10 . 1 1 16 16 ALA HA H 39 3.630 3.630 3.913 -0.283 18329 8385 1 10 . 1 1 16 16 ALA C C 39 179.500 179.500 178.913 0.587 18329 8386 1 10 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.492 0.208 18329 8387 1 10 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.348 -0.348 18329 8388 1 10 . 1 1 16 16 ALA H H 39 8.280 8.280 8.156 0.124 18329 8389 1 10 . 1 1 17 17 LYS N N 40 121.690 121.690 118.967 2.723 18329 8390 1 10 . 1 1 17 17 LYS HA H 40 4.090 4.090 4.021 0.069 18329 8391 1 10 . 1 1 17 17 LYS C C 40 178.000 178.000 178.135 -0.135 18329 8392 1 10 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.160 -0.760 18329 8393 1 10 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.387 -0.587 18329 8394 1 10 . 1 1 17 17 LYS H H 40 7.930 7.930 7.892 0.038 18329 8395 1 10 . 1 1 18 18 ASP N N 41 118.730 118.730 118.782 -0.052 18329 8396 1 10 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.483 -0.123 18329 8397 1 10 . 1 1 18 18 ASP C C 41 179.900 179.900 178.621 1.279 18329 8398 1 10 . 1 1 18 18 ASP CA C 41 57.700 57.700 57.067 0.633 18329 8399 1 10 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.404 -0.804 18329 8400 1 10 . 1 1 18 18 ASP H H 41 8.320 8.320 7.861 0.459 18329 8401 1 10 . 1 1 19 19 ILE N N 42 118.180 118.180 119.440 -1.260 18329 8402 1 10 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.697 -0.007 18329 8403 1 10 . 1 1 19 19 ILE C C 42 177.400 177.400 177.828 -0.428 18329 8404 1 10 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.190 0.010 18329 8405 1 10 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.677 0.223 18329 8406 1 10 . 1 1 19 19 ILE H H 42 7.420 7.420 7.194 0.226 18329 8407 1 10 . 1 1 20 20 THR N N 43 113.360 113.360 112.300 1.060 18329 8408 1 10 . 1 1 20 20 THR HA H 43 3.770 3.770 3.988 -0.218 18329 8409 1 10 . 1 1 20 20 THR C C 43 177.800 177.800 176.684 1.116 18329 8410 1 10 . 1 1 20 20 THR CA C 43 66.400 66.400 65.948 0.452 18329 8411 1 10 . 1 1 20 20 THR CB C 43 67.400 67.400 68.415 -1.015 18329 8412 1 10 . 1 1 20 20 THR H H 43 7.610 7.610 7.594 0.016 18329 8413 1 10 . 1 1 21 21 ASP N N 44 123.650 123.650 121.729 1.921 18329 8414 1 10 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.423 -0.013 18329 8415 1 10 . 1 1 21 21 ASP C C 44 179.200 179.200 178.497 0.703 18329 8416 1 10 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.178 0.022 18329 8417 1 10 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.314 -0.714 18329 8418 1 10 . 1 1 21 21 ASP H H 44 9.260 9.260 7.913 1.347 18329 8419 1 10 . 1 1 22 22 GLU N N 45 123.560 123.560 119.056 4.504 18329 8420 1 10 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.196 0.174 18329 8421 1 10 . 1 1 22 22 GLU C C 45 178.500 178.500 179.457 -0.957 18329 8422 1 10 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.712 -0.512 18329 8423 1 10 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.815 -0.615 18329 8424 1 10 . 1 1 22 22 GLU H H 45 7.750 7.750 8.004 -0.254 18329 8425 1 10 . 1 1 23 23 ILE N N 46 119.940 119.940 115.727 4.213 18329 8426 1 10 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.760 -0.140 18329 8427 1 10 . 1 1 23 23 ILE C C 46 177.600 177.600 177.913 -0.313 18329 8428 1 10 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.280 1.320 18329 8429 1 10 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.050 -0.050 18329 8430 1 10 . 1 1 23 23 ILE H H 46 8.360 8.360 7.467 0.893 18329 8431 1 10 . 1 1 24 24 ASP N N 47 120.730 120.730 121.681 -0.951 18329 8432 1 10 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.308 0.092 18329 8433 1 10 . 1 1 24 24 ASP C C 47 178.900 178.900 177.591 1.309 18329 8434 1 10 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.389 0.111 18329 8435 1 10 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.693 -0.793 18329 8436 1 10 . 1 1 24 24 ASP H H 47 8.280 8.280 7.963 0.317 18329 8437 1 10 . 1 1 25 25 ALA N N 48 123.870 123.870 120.734 3.136 18329 8438 1 10 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.021 0.099 18329 8439 1 10 . 1 1 25 25 ALA C C 48 180.400 180.400 179.254 1.146 18329 8440 1 10 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.614 0.886 18329 8441 1 10 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.310 -0.510 18329 8442 1 10 . 1 1 25 25 ALA H H 48 7.880 7.880 7.549 0.331 18329 8443 1 10 . 1 1 26 26 ILE N N 49 121.970 121.970 118.473 3.497 18329 8444 1 10 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.613 0.117 18329 8445 1 10 . 1 1 26 26 ILE C C 49 178.400 178.400 177.505 0.895 18329 8446 1 10 . 1 1 26 26 ILE CA C 49 65.900 65.900 65.214 0.686 18329 8447 1 10 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.796 -0.296 18329 8448 1 10 . 1 1 26 26 ILE H H 49 8.710 8.710 7.566 1.144 18329 8449 1 10 . 1 1 27 27 LYS N N 50 119.820 119.820 118.466 1.354 18329 8450 1 10 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.497 0.383 18329 8451 1 10 . 1 1 27 27 LYS C C 50 179.900 179.900 178.577 1.323 18329 8452 1 10 . 1 1 27 27 LYS CA C 50 60.400 60.400 58.653 1.747 18329 8453 1 10 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.418 0.482 18329 8454 1 10 . 1 1 27 27 LYS H H 50 8.540 8.540 7.602 0.938 18329 8455 1 10 . 1 1 28 28 LYS N N 51 121.960 121.960 120.155 1.805 18329 8456 1 10 . 1 1 28 28 LYS HA H 51 4.090 4.090 3.953 0.137 18329 8457 1 10 . 1 1 28 28 LYS C C 51 179.200 179.200 178.775 0.425 18329 8458 1 10 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.344 -0.044 18329 8459 1 10 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.384 -0.984 18329 8460 1 10 . 1 1 28 28 LYS H H 51 8.070 8.070 7.273 0.797 18329 8461 1 10 . 1 1 29 29 ASP N N 52 121.710 121.710 119.096 2.614 18329 8462 1 10 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.489 -0.019 18329 8463 1 10 . 1 1 29 29 ASP C C 52 178.500 178.500 178.870 -0.370 18329 8464 1 10 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.747 0.253 18329 8465 1 10 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.450 0.550 18329 8466 1 10 . 1 1 29 29 ASP H H 52 8.340 8.340 8.082 0.258 18329 8467 1 10 . 1 1 30 30 ALA N N 53 121.990 121.990 121.672 0.318 18329 8468 1 10 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.042 -0.702 18329 8469 1 10 . 1 1 30 30 ALA C C 53 179.500 179.500 179.104 0.396 18329 8470 1 10 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.570 0.530 18329 8471 1 10 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.166 -0.066 18329 8472 1 10 . 1 1 30 30 ALA H H 53 8.800 8.800 7.926 0.874 18329 8473 1 10 . 1 1 31 31 ALA N N 54 119.970 119.970 120.720 -0.750 18329 8474 1 10 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.056 0.094 18329 8475 1 10 . 1 1 31 31 ALA C C 54 181.600 181.600 178.736 2.864 18329 8476 1 10 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.107 0.593 18329 8477 1 10 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.264 -0.464 18329 8478 1 10 . 1 1 31 31 ALA H H 54 7.730 7.730 7.320 0.410 18329 8479 1 10 . 1 1 32 32 LEU N N 55 119.660 119.660 117.167 2.493 18329 8480 1 10 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.074 0.066 18329 8481 1 10 . 1 1 32 32 LEU C C 55 179.100 179.100 177.414 1.686 18329 8482 1 10 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.350 0.650 18329 8483 1 10 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.918 -0.018 18329 8484 1 10 . 1 1 32 32 LEU H H 55 7.660 7.660 7.332 0.328 18329 8485 1 10 . 1 1 33 33 LYS N N 56 117.160 117.160 117.255 -0.095 18329 8486 1 10 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.449 -0.239 18329 8487 1 10 . 1 1 33 33 LYS C C 56 176.600 176.600 176.223 0.377 18329 8488 1 10 . 1 1 33 33 LYS CA C 56 56.100 56.100 54.487 1.613 18329 8489 1 10 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.522 -0.322 18329 8490 1 10 . 1 1 33 33 LYS H H 56 7.610 7.610 7.352 0.258 18329 8491 1 10 . 1 1 34 34 GLY N N 57 108.680 108.680 110.803 -2.123 18329 8492 1 10 . 1 1 34 34 GLY C C 57 174.400 174.400 173.838 0.562 18329 8493 1 10 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.270 0.930 18329 8494 1 10 . 1 1 34 34 GLY H H 57 7.710 7.710 8.481 -0.771 18329 8495 1 10 . 1 1 35 35 VAL N N 58 121.000 121.000 124.281 -3.281 18329 8496 1 10 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.129 -0.229 18329 8497 1 10 . 1 1 35 35 VAL C C 58 174.200 174.200 175.371 -1.171 18329 8498 1 10 . 1 1 35 35 VAL CA C 58 61.500 61.500 60.737 0.763 18329 8499 1 10 . 1 1 35 35 VAL CB C 58 32.800 32.800 35.256 -2.456 18329 8500 1 10 . 1 1 35 35 VAL H H 58 7.990 7.990 7.493 0.497 18329 8501 1 10 . 1 1 36 36 ASN N N 59 124.960 124.960 124.265 0.695 18329 8502 1 10 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.597 0.073 18329 8503 1 10 . 1 1 36 36 ASN C C 59 175.700 175.700 174.495 1.205 18329 8504 1 10 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.324 -1.724 18329 8505 1 10 . 1 1 36 36 ASN CB C 59 39.100 39.100 36.793 2.307 18329 8506 1 10 . 1 1 36 36 ASN H H 59 8.460 8.460 8.622 -0.162 18329 8507 1 10 . 1 1 37 37 PHE N N 60 124.460 124.460 121.709 2.751 18329 8508 1 10 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.208 -0.068 18329 8509 1 10 . 1 1 37 37 PHE C C 60 177.000 177.000 175.566 1.434 18329 8510 1 10 . 1 1 37 37 PHE CA C 60 60.400 60.400 60.658 -0.258 18329 8511 1 10 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.673 -0.473 18329 8512 1 10 . 1 1 37 37 PHE H H 60 8.780 8.780 7.928 0.852 18329 8513 1 10 . 1 1 38 38 ASP N N 61 119.270 119.270 118.622 0.648 18329 8514 1 10 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.663 -0.173 18329 8515 1 10 . 1 1 38 38 ASP C C 61 177.000 177.000 174.750 2.250 18329 8516 1 10 . 1 1 38 38 ASP CA C 61 55.500 55.500 53.614 1.885 18329 8517 1 10 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.145 -0.145 18329 8518 1 10 . 1 1 38 38 ASP H H 61 8.400 8.400 8.229 0.171 18329 8519 1 10 . 1 1 39 39 ALA N N 62 122.020 122.020 126.364 -4.344 18329 8520 1 10 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.396 -0.196 18329 8521 1 10 . 1 1 39 39 ALA C C 62 178.300 178.300 176.944 1.356 18329 8522 1 10 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.283 0.617 18329 8523 1 10 . 1 1 39 39 ALA CB C 62 18.500 18.500 19.921 -1.421 18329 8524 1 10 . 1 1 39 39 ALA H H 62 7.740 7.740 7.661 0.079 18329 8525 1 10 . 1 1 40 40 PHE N N 63 116.940 116.940 120.014 -3.074 18329 8526 1 10 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.163 0.217 18329 8527 1 10 . 1 1 40 40 PHE C C 63 176.100 176.100 176.874 -0.774 18329 8528 1 10 . 1 1 40 40 PHE CA C 63 58.300 58.300 58.415 -0.115 18329 8529 1 10 . 1 1 40 40 PHE CB C 63 38.800 38.800 38.130 0.670 18329 8530 1 10 . 1 1 40 40 PHE H H 63 7.730 7.730 7.720 0.010 18329 8531 1 10 . 1 1 41 41 LYS N N 64 119.840 119.840 123.977 -4.137 18329 8532 1 10 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.159 0.061 18329 8533 1 10 . 1 1 41 41 LYS C C 64 176.100 176.100 176.324 -0.224 18329 8534 1 10 . 1 1 41 41 LYS CA C 64 56.600 56.600 58.017 -1.417 18329 8535 1 10 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.505 -0.605 18329 8536 1 10 . 1 1 41 41 LYS H H 64 7.650 7.650 8.230 -0.580 18329 8537 1 10 . 1 1 42 42 ASP N N 65 120.770 120.770 115.342 5.428 18329 8538 1 10 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.698 -0.128 18329 8539 1 10 . 1 1 42 42 ASP C C 65 176.100 176.100 175.082 1.018 18329 8540 1 10 . 1 1 42 42 ASP CA C 65 54.200 54.200 53.932 0.268 18329 8541 1 10 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.806 -0.906 18329 8542 1 10 . 1 1 42 42 ASP H H 65 8.030 8.030 8.425 -0.395 18329 8543 1 10 . 1 1 43 43 LYS N N 66 122.070 122.070 122.804 -0.734 18329 8544 1 10 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.363 -0.083 18329 8545 1 10 . 1 1 43 43 LYS C C 66 176.800 176.800 177.145 -0.345 18329 8546 1 10 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.485 0.015 18329 8547 1 10 . 1 1 43 43 LYS CB C 66 32.800 32.800 32.762 0.038 18329 8548 1 10 . 1 1 43 43 LYS H H 66 8.180 8.180 8.321 -0.141 18329 8549 1 10 . 1 1 44 44 LYS N N 67 122.170 122.170 122.029 0.141 18329 8550 1 10 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.449 -0.099 18329 8551 1 10 . 1 1 44 44 LYS C C 67 177.000 177.000 176.707 0.293 18329 8552 1 10 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.286 0.314 18329 8553 1 10 . 1 1 44 44 LYS CB C 67 32.800 32.800 33.047 -0.248 18329 8554 1 10 . 1 1 44 44 LYS H H 67 8.460 8.460 8.406 0.054 18329 8555 1 10 . 1 1 45 45 THR N N 68 114.390 114.390 114.590 -0.200 18329 8556 1 10 . 1 1 45 45 THR HA H 68 4.330 4.330 4.110 0.220 18329 8557 1 10 . 1 1 45 45 THR C C 68 175.200 175.200 173.950 1.250 18329 8558 1 10 . 1 1 45 45 THR CA C 68 62.000 62.000 62.146 -0.146 18329 8559 1 10 . 1 1 45 45 THR CB C 68 69.900 69.900 68.724 1.176 18329 8560 1 10 . 1 1 45 45 THR H H 68 8.120 8.120 7.669 0.451 18329 8561 1 10 . 1 1 46 46 GLY N N 69 111.200 111.200 113.007 -1.807 18329 8562 1 10 . 1 1 46 46 GLY CA C 69 45.200 45.200 44.570 0.630 18329 8563 1 10 . 1 1 46 46 GLY H H 69 8.450 8.450 8.237 0.213 18329 8564 1 10 . 1 1 47 47 SER CA C 70 58.400 58.400 58.028 0.372 18329 8565 1 10 . 1 1 47 47 SER CB C 70 64.000 64.000 63.996 0.004 18329 8566 1 10 . 1 1 48 48 GLY N N 71 111.200 111.200 111.302 -0.102 18329 8567 1 10 . 1 1 48 48 GLY CA C 71 45.000 45.000 45.900 -0.900 18329 8568 1 10 . 1 1 48 48 GLY H H 71 8.580 8.580 8.646 -0.066 18329 8569 1 10 . 1 1 49 49 VAL N N 72 118.910 118.910 117.116 1.794 18329 8570 1 10 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.601 -0.471 18329 8571 1 10 . 1 1 49 49 VAL C C 72 176.100 176.100 174.701 1.399 18329 8572 1 10 . 1 1 49 49 VAL CA C 72 62.100 62.100 61.358 0.742 18329 8573 1 10 . 1 1 49 49 VAL CB C 72 32.500 32.500 33.150 -0.650 18329 8574 1 10 . 1 1 49 49 VAL H H 72 7.860 7.860 7.765 0.095 18329 8575 1 10 . 1 1 50 50 SER N N 73 118.500 118.500 121.768 -3.268 18329 8576 1 10 . 1 1 50 50 SER C C 73 176.100 176.100 174.943 1.157 18329 8577 1 10 . 1 1 50 50 SER CA C 73 58.300 58.300 59.284 -0.984 18329 8578 1 10 . 1 1 50 50 SER CB C 73 63.800 63.800 63.650 0.150 18329 8579 1 10 . 1 1 50 50 SER H H 73 8.300 8.300 8.786 -0.486 18329 8580 1 10 . 1 1 51 51 GLU N N 74 122.560 122.560 122.514 0.046 18329 8581 1 10 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.390 -0.120 18329 8582 1 10 . 1 1 51 51 GLU CA C 74 55.700 55.700 57.045 -1.345 18329 8583 1 10 . 1 1 51 51 GLU CB C 74 30.500 30.500 30.588 -0.088 18329 8584 1 10 . 1 1 51 51 GLU H H 74 8.360 8.360 8.638 -0.278 18329 8585 1 10 . 1 1 52 52 ASN N N 75 122.830 122.830 113.595 9.235 18329 8586 1 10 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.794 0.026 18329 8587 1 10 . 1 1 52 52 ASN C C 75 174.800 174.800 173.241 1.559 18329 8588 1 10 . 1 1 52 52 ASN CA C 75 51.400 51.400 52.285 -0.885 18329 8589 1 10 . 1 1 52 52 ASN CB C 75 39.200 39.200 36.709 2.491 18329 8590 1 10 . 1 1 52 52 ASN H H 75 8.450 8.450 7.815 0.635 18329 8591 1 10 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.224 -0.044 18329 8592 1 10 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.885 0.315 18329 8593 1 10 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.917 0.083 18329 8594 1 10 . 1 1 54 54 PHE N N 77 118.060 118.060 118.283 -0.223 18329 8595 1 10 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.248 0.022 18329 8596 1 10 . 1 1 54 54 PHE C C 77 177.500 177.500 177.634 -0.134 18329 8597 1 10 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.895 -0.395 18329 8598 1 10 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.230 0.170 18329 8599 1 10 . 1 1 54 54 PHE H H 77 8.430 8.430 8.102 0.328 18329 8600 1 10 . 1 1 55 55 ILE N N 78 119.350 119.350 119.252 0.098 18329 8601 1 10 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.697 -0.197 18329 8602 1 10 . 1 1 55 55 ILE C C 78 177.400 177.400 177.732 -0.332 18329 8603 1 10 . 1 1 55 55 ILE CA C 78 63.500 63.500 65.314 -1.814 18329 8604 1 10 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.824 -0.824 18329 8605 1 10 . 1 1 55 55 ILE H H 78 7.540 7.540 8.002 -0.462 18329 8606 1 10 . 1 1 56 56 LEU N N 79 118.450 118.450 120.034 -1.584 18329 8607 1 10 . 1 1 56 56 LEU HA H 79 4.150 4.150 3.833 0.317 18329 8608 1 10 . 1 1 56 56 LEU C C 79 179.200 179.200 179.265 -0.065 18329 8609 1 10 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.093 -0.293 18329 8610 1 10 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.232 -0.132 18329 8611 1 10 . 1 1 56 56 LEU H H 79 7.260 7.260 7.586 -0.326 18329 8612 1 10 . 1 1 57 57 GLU N N 80 117.980 117.980 117.406 0.574 18329 8613 1 10 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.935 -0.285 18329 8614 1 10 . 1 1 57 57 GLU C C 80 178.700 178.700 178.983 -0.283 18329 8615 1 10 . 1 1 57 57 GLU CA C 80 59.300 59.300 59.016 0.284 18329 8616 1 10 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.447 0.053 18329 8617 1 10 . 1 1 57 57 GLU H H 80 7.890 7.890 8.156 -0.266 18329 8618 1 10 . 1 1 58 58 ALA N N 81 122.040 122.040 122.393 -0.353 18329 8619 1 10 . 1 1 58 58 ALA HA H 81 3.800 3.800 3.998 -0.198 18329 8620 1 10 . 1 1 58 58 ALA C C 81 179.500 179.500 179.083 0.417 18329 8621 1 10 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.863 0.337 18329 8622 1 10 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.209 0.591 18329 8623 1 10 . 1 1 58 58 ALA H H 81 8.400 8.400 7.714 0.686 18329 8624 1 10 . 1 1 59 59 LYS N N 82 116.000 116.000 118.055 -2.055 18329 8625 1 10 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.062 -0.212 18329 8626 1 10 . 1 1 59 59 LYS C C 82 180.300 180.300 178.762 1.538 18329 8627 1 10 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.090 2.010 18329 8628 1 10 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.425 -0.225 18329 8629 1 10 . 1 1 59 59 LYS H H 82 8.000 8.000 8.210 -0.210 18329 8630 1 10 . 1 1 60 60 VAL N N 83 122.920 122.920 118.191 4.729 18329 8631 1 10 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.715 -0.385 18329 8632 1 10 . 1 1 60 60 VAL C C 83 178.300 178.300 178.078 0.222 18329 8633 1 10 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.570 2.330 18329 8634 1 10 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.744 -0.544 18329 8635 1 10 . 1 1 60 60 VAL H H 83 8.110 8.110 7.446 0.664 18329 8636 1 10 . 1 1 61 61 ARG N N 84 121.770 121.770 119.831 1.939 18329 8637 1 10 . 1 1 61 61 ARG C C 84 179.500 179.500 178.558 0.942 18329 8638 1 10 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.255 -0.055 18329 8639 1 10 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.866 0.934 18329 8640 1 10 . 1 1 61 61 ARG H H 84 8.710 8.710 7.508 1.202 18329 8641 1 10 . 1 1 62 62 ALA N N 85 119.450 119.450 121.062 -1.612 18329 8642 1 10 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.108 -0.218 18329 8643 1 10 . 1 1 62 62 ALA C C 85 179.500 179.500 178.798 0.702 18329 8644 1 10 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.211 -0.211 18329 8645 1 10 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.584 0.416 18329 8646 1 10 . 1 1 62 62 ALA H H 85 8.700 8.700 7.799 0.901 18329 8647 1 10 . 1 1 63 63 THR N N 86 106.650 106.650 110.585 -3.935 18329 8648 1 10 . 1 1 63 63 THR HA H 86 3.970 3.970 4.032 -0.062 18329 8649 1 10 . 1 1 63 63 THR C C 86 177.700 177.700 176.890 0.810 18329 8650 1 10 . 1 1 63 63 THR CA C 86 66.000 66.000 65.850 0.150 18329 8651 1 10 . 1 1 63 63 THR CB C 86 68.200 68.200 68.559 -0.359 18329 8652 1 10 . 1 1 63 63 THR H H 86 8.150 8.150 7.744 0.406 18329 8653 1 10 . 1 1 64 64 THR N N 87 120.430 120.430 119.835 0.595 18329 8654 1 10 . 1 1 64 64 THR HA H 87 4.050 4.050 4.059 -0.009 18329 8655 1 10 . 1 1 64 64 THR C C 87 176.800 176.800 176.357 0.443 18329 8656 1 10 . 1 1 64 64 THR CA C 87 67.300 67.300 67.692 -0.392 18329 8657 1 10 . 1 1 64 64 THR CB C 87 68.600 68.600 68.391 0.209 18329 8658 1 10 . 1 1 64 64 THR H H 87 7.920 7.920 7.499 0.421 18329 8659 1 10 . 1 1 65 65 VAL N N 88 119.230 119.230 120.766 -1.536 18329 8660 1 10 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.698 0.282 18329 8661 1 10 . 1 1 65 65 VAL C C 88 178.500 178.500 177.500 1.000 18329 8662 1 10 . 1 1 65 65 VAL CA C 88 65.600 65.600 66.455 -0.855 18329 8663 1 10 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.493 0.207 18329 8664 1 10 . 1 1 65 65 VAL H H 88 7.380 7.380 7.351 0.029 18329 8665 1 10 . 1 1 66 66 ALA N N 89 124.260 124.260 121.584 2.676 18329 8666 1 10 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.898 0.352 18329 8667 1 10 . 1 1 66 66 ALA C C 89 179.900 179.900 179.178 0.722 18329 8668 1 10 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.614 -0.713 18329 8669 1 10 . 1 1 66 66 ALA CB C 89 19.500 19.500 17.946 1.554 18329 8670 1 10 . 1 1 66 66 ALA H H 89 8.390 8.390 7.727 0.663 18329 8671 1 10 . 1 1 67 67 GLU N N 90 120.180 120.180 118.641 1.539 18329 8672 1 10 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.946 -0.226 18329 8673 1 10 . 1 1 67 67 GLU C C 90 177.600 177.600 178.808 -1.208 18329 8674 1 10 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.406 0.494 18329 8675 1 10 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.344 -1.044 18329 8676 1 10 . 1 1 67 67 GLU H H 90 8.520 8.520 8.303 0.217 18329 8677 1 10 . 1 1 68 68 LYS N N 91 116.340 116.340 118.147 -1.807 18329 8678 1 10 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.022 -0.062 18329 8679 1 10 . 1 1 68 68 LYS C C 91 179.200 179.200 179.126 0.074 18329 8680 1 10 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.657 1.143 18329 8681 1 10 . 1 1 68 68 LYS CB C 91 32.000 32.000 31.994 0.006 18329 8682 1 10 . 1 1 68 68 LYS H H 91 7.210 7.210 7.443 -0.233 18329 8683 1 10 . 1 1 69 69 PHE N N 92 120.990 120.990 119.941 1.049 18329 8684 1 10 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.238 0.272 18329 8685 1 10 . 1 1 69 69 PHE C C 92 175.100 175.100 177.380 -2.280 18329 8686 1 10 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.076 -1.276 18329 8687 1 10 . 1 1 69 69 PHE CB C 92 39.200 39.200 38.917 0.283 18329 8688 1 10 . 1 1 69 69 PHE H H 92 7.180 7.180 7.874 -0.694 18329 8689 1 10 . 1 1 70 70 VAL N N 93 120.330 120.330 118.837 1.493 18329 8690 1 10 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.509 -0.419 18329 8691 1 10 . 1 1 70 70 VAL C C 93 177.500 177.500 177.608 -0.108 18329 8692 1 10 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.835 0.065 18329 8693 1 10 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.283 0.117 18329 8694 1 10 . 1 1 70 70 VAL H H 93 7.930 7.930 7.519 0.411 18329 8695 1 10 . 1 1 71 71 ILE N N 94 120.410 120.410 118.899 1.511 18329 8696 1 10 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.574 0.256 18329 8697 1 10 . 1 1 71 71 ILE C C 94 177.700 177.700 177.283 0.417 18329 8698 1 10 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.937 0.063 18329 8699 1 10 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.050 0.250 18329 8700 1 10 . 1 1 71 71 ILE H H 94 8.180 8.180 7.191 0.989 18329 8701 1 10 . 1 1 72 72 ALA N N 95 122.440 122.440 122.559 -0.119 18329 8702 1 10 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.932 0.028 18329 8703 1 10 . 1 1 72 72 ALA C C 95 179.600 179.600 179.554 0.046 18329 8704 1 10 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.004 0.896 18329 8705 1 10 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.892 -0.692 18329 8706 1 10 . 1 1 72 72 ALA H H 95 7.340 7.340 7.426 -0.086 18329 8707 1 10 . 1 1 73 73 ILE N N 96 119.330 119.330 120.259 -0.929 18329 8708 1 10 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.663 -0.223 18329 8709 1 10 . 1 1 73 73 ILE C C 96 177.400 177.400 177.935 -0.535 18329 8710 1 10 . 1 1 73 73 ILE CA C 96 62.800 62.800 64.009 -1.209 18329 8711 1 10 . 1 1 73 73 ILE CB C 96 34.400 34.400 37.278 -2.878 18329 8712 1 10 . 1 1 73 73 ILE H H 96 7.820 7.820 7.282 0.538 18329 8713 1 10 . 1 1 74 74 GLU N N 97 118.440 118.440 120.600 -2.160 18329 8714 1 10 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.878 -0.188 18329 8715 1 10 . 1 1 74 74 GLU C C 97 180.500 180.500 178.780 1.720 18329 8716 1 10 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.688 0.012 18329 8717 1 10 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.349 0.351 18329 8718 1 10 . 1 1 74 74 GLU H H 97 8.380 8.380 7.620 0.760 18329 8719 1 10 . 1 1 75 75 GLU N N 98 120.470 120.470 119.928 0.542 18329 8720 1 10 . 1 1 75 75 GLU HA H 98 3.940 3.940 3.997 -0.057 18329 8721 1 10 . 1 1 75 75 GLU C C 98 180.600 180.600 179.038 1.562 18329 8722 1 10 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.450 0.250 18329 8723 1 10 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.670 0.530 18329 8724 1 10 . 1 1 75 75 GLU H H 98 8.800 8.800 8.539 0.261 18329 8725 1 10 . 1 1 76 76 GLU N N 99 119.230 119.230 118.681 0.549 18329 8726 1 10 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.058 0.082 18329 8727 1 10 . 1 1 76 76 GLU C C 99 178.900 178.900 179.006 -0.106 18329 8728 1 10 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.797 -0.197 18329 8729 1 10 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.266 0.034 18329 8730 1 10 . 1 1 76 76 GLU H H 99 8.840 8.840 8.464 0.376 18329 8731 1 10 . 1 1 77 77 ALA N N 100 121.950 121.950 122.203 -0.253 18329 8732 1 10 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.191 -0.191 18329 8733 1 10 . 1 1 77 77 ALA C C 100 179.000 179.000 179.792 -0.792 18329 8734 1 10 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.313 0.987 18329 8735 1 10 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.204 -1.405 18329 8736 1 10 . 1 1 77 77 ALA H H 100 9.400 9.400 8.240 1.160 18329 8737 1 10 . 1 1 78 78 THR N N 101 111.820 111.820 114.353 -2.533 18329 8738 1 10 . 1 1 78 78 THR HA H 101 3.750 3.750 4.039 -0.289 18329 8739 1 10 . 1 1 78 78 THR CA C 101 67.500 67.500 66.362 1.138 18329 8740 1 10 . 1 1 78 78 THR CB C 101 68.600 68.600 68.531 0.069 18329 8741 1 10 . 1 1 78 78 THR H H 101 7.770 7.770 7.730 0.040 18329 8742 1 10 . 1 1 79 79 LYS N N 102 122.940 122.940 121.479 1.461 18329 8743 1 10 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.184 -0.094 18329 8744 1 10 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.605 0.595 18329 8745 1 10 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.213 0.287 18329 8746 1 10 . 1 1 79 79 LYS H H 102 7.870 7.870 7.645 0.225 18329 8747 1 10 . 1 1 80 80 LEU N N 103 117.690 117.690 118.812 -1.122 18329 8748 1 10 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.331 0.159 18329 8749 1 10 . 1 1 80 80 LEU C C 103 178.140 178.140 176.385 1.755 18329 8750 1 10 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.907 -0.908 18329 8751 1 10 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.511 0.589 18329 8752 1 10 . 1 1 80 80 LEU H H 103 7.550 7.550 7.892 -0.342 18329 8753 1 10 . 1 1 81 81 LYS N N 104 122.210 122.210 120.167 2.043 18329 8754 1 10 . 1 1 81 81 LYS HA H 104 3.930 3.930 4.216 -0.286 18329 8755 1 10 . 1 1 81 81 LYS C C 104 178.000 178.000 176.476 1.524 18329 8756 1 10 . 1 1 81 81 LYS CA C 104 61.300 61.300 57.598 3.702 18329 8757 1 10 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.491 1.310 18329 8758 1 10 . 1 1 81 81 LYS H H 104 7.500 7.500 7.532 -0.032 18329 8759 1 10 . 1 1 82 82 GLU N N 105 114.920 114.920 122.730 -7.810 18329 8760 1 10 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.445 0.115 18329 8761 1 10 . 1 1 82 82 GLU C C 105 177.900 177.900 177.512 0.388 18329 8762 1 10 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.700 -0.040 18329 8763 1 10 . 1 1 82 82 GLU CB C 105 30.400 30.400 30.938 -0.538 18329 8764 1 10 . 1 1 82 82 GLU H H 105 8.780 8.780 8.875 -0.095 18329 8765 1 10 . 1 1 83 83 THR N N 106 107.260 107.260 113.644 -6.384 18329 8766 1 10 . 1 1 83 83 THR HA H 106 4.550 4.550 4.374 0.176 18329 8767 1 10 . 1 1 83 83 THR C C 106 176.300 176.300 175.854 0.446 18329 8768 1 10 . 1 1 83 83 THR CA C 106 61.900 61.900 62.133 -0.233 18329 8769 1 10 . 1 1 83 83 THR CB C 106 70.400 70.400 69.941 0.459 18329 8770 1 10 . 1 1 83 83 THR H H 106 7.570 7.570 8.264 -0.694 18329 8771 1 10 . 1 1 84 84 GLY N N 107 112.110 112.110 112.056 0.054 18329 8772 1 10 . 1 1 84 84 GLY C C 107 172.800 172.800 175.130 -2.330 18329 8773 1 10 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.636 -0.236 18329 8774 1 10 . 1 1 84 84 GLY H H 107 9.000 9.000 8.553 0.447 18329 8775 1 10 . 1 1 85 85 SER N N 108 119.030 119.030 114.647 4.383 18329 8776 1 10 . 1 1 85 85 SER CA C 108 56.300 56.300 59.698 -3.398 18329 8777 1 10 . 1 1 85 85 SER CB C 108 66.300 66.300 63.853 2.447 18329 8778 1 10 . 1 1 85 85 SER H H 108 8.950 8.950 8.336 0.614 18329 8779 1 10 . 1 1 86 86 SER HA H 109 4.480 4.480 4.741 -0.261 18329 8780 1 10 . 1 1 86 86 SER C C 109 177.000 177.000 176.652 0.348 18329 8781 1 10 . 1 1 86 86 SER CA C 109 61.600 61.600 58.913 2.687 18329 8782 1 10 . 1 1 86 86 SER CB C 109 62.900 62.900 63.300 -0.400 18329 8783 1 10 . 1 1 87 87 GLY N N 110 108.100 108.100 110.884 -2.784 18329 8784 1 10 . 1 1 87 87 GLY C C 110 177.100 177.100 175.734 1.366 18329 8785 1 10 . 1 1 87 87 GLY CA C 110 46.200 46.200 47.103 -0.903 18329 8786 1 10 . 1 1 87 87 GLY H H 110 8.480 8.480 8.491 -0.011 18329 8787 1 10 . 1 1 88 88 GLU N N 111 123.040 123.040 122.395 0.645 18329 8788 1 10 . 1 1 88 88 GLU HA H 111 3.690 3.690 3.942 -0.252 18329 8789 1 10 . 1 1 88 88 GLU C C 111 177.700 177.700 178.503 -0.803 18329 8790 1 10 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.833 0.667 18329 8791 1 10 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.115 -0.415 18329 8792 1 10 . 1 1 88 88 GLU H H 111 7.560 7.560 7.700 -0.140 18329 8793 1 10 . 1 1 89 89 PHE N N 112 118.270 118.270 117.629 0.641 18329 8794 1 10 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.367 0.053 18329 8795 1 10 . 1 1 89 89 PHE C C 112 178.600 178.600 178.067 0.533 18329 8796 1 10 . 1 1 89 89 PHE CA C 112 61.100 61.100 60.716 0.384 18329 8797 1 10 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.602 -0.702 18329 8798 1 10 . 1 1 89 89 PHE H H 112 7.200 7.200 7.338 -0.138 18329 8799 1 10 . 1 1 90 90 SER N N 113 115.980 115.980 115.470 0.510 18329 8800 1 10 . 1 1 90 90 SER HA H 113 4.290 4.290 4.145 0.145 18329 8801 1 10 . 1 1 90 90 SER C C 113 178.600 178.600 176.588 2.012 18329 8802 1 10 . 1 1 90 90 SER CA C 113 62.700 62.700 61.619 1.081 18329 8803 1 10 . 1 1 90 90 SER CB C 113 62.800 62.800 63.028 -0.228 18329 8804 1 10 . 1 1 90 90 SER H H 113 8.830 8.830 7.720 1.110 18329 8805 1 10 . 1 1 91 91 ALA N N 114 123.130 123.130 122.959 0.171 18329 8806 1 10 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.101 0.279 18329 8807 1 10 . 1 1 91 91 ALA C C 114 181.300 181.300 179.357 1.943 18329 8808 1 10 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.962 -0.262 18329 8809 1 10 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.259 0.141 18329 8810 1 10 . 1 1 91 91 ALA H H 114 7.580 7.580 7.758 -0.178 18329 8811 1 10 . 1 1 92 92 MET N N 115 118.700 118.700 118.915 -0.215 18329 8812 1 10 . 1 1 92 92 MET HA H 115 3.980 3.980 4.229 -0.249 18329 8813 1 10 . 1 1 92 92 MET C C 115 178.000 178.000 177.779 0.221 18329 8814 1 10 . 1 1 92 92 MET CA C 115 61.000 61.000 57.866 3.134 18329 8815 1 10 . 1 1 92 92 MET CB C 115 31.400 31.400 32.533 -1.133 18329 8816 1 10 . 1 1 92 92 MET H H 115 7.880 7.880 7.662 0.218 18329 8817 1 10 . 1 1 93 93 TYR N N 116 119.200 119.200 119.916 -0.716 18329 8818 1 10 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.104 0.176 18329 8819 1 10 . 1 1 93 93 TYR C C 116 176.300 176.300 177.362 -1.062 18329 8820 1 10 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.605 0.495 18329 8821 1 10 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.255 0.045 18329 8822 1 10 . 1 1 93 93 TYR H H 116 7.870 7.870 7.913 -0.043 18329 8823 1 10 . 1 1 94 94 ASP N N 117 120.210 120.210 119.572 0.638 18329 8824 1 10 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.493 -0.303 18329 8825 1 10 . 1 1 94 94 ASP C C 117 179.000 179.000 178.574 0.426 18329 8826 1 10 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.145 0.555 18329 8827 1 10 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.541 -0.541 18329 8828 1 10 . 1 1 94 94 ASP H H 117 8.720 8.720 7.756 0.964 18329 8829 1 10 . 1 1 95 95 LEU N N 118 118.420 118.420 120.077 -1.657 18329 8830 1 10 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.118 0.092 18329 8831 1 10 . 1 1 95 95 LEU C C 118 178.600 178.600 179.122 -0.522 18329 8832 1 10 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.964 -0.264 18329 8833 1 10 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.703 1.397 18329 8834 1 10 . 1 1 95 95 LEU H H 118 7.510 7.510 7.823 -0.313 18329 8835 1 10 . 1 1 96 96 MET N N 119 118.470 118.470 118.414 0.056 18329 8836 1 10 . 1 1 96 96 MET HA H 119 3.990 3.990 4.158 -0.168 18329 8837 1 10 . 1 1 96 96 MET C C 119 177.500 177.500 178.099 -0.599 18329 8838 1 10 . 1 1 96 96 MET CA C 119 60.500 60.500 57.738 2.762 18329 8839 1 10 . 1 1 96 96 MET CB C 119 33.900 33.900 32.060 1.839 18329 8840 1 10 . 1 1 96 96 MET H H 119 7.820 7.820 7.646 0.174 18329 8841 1 10 . 1 1 97 97 PHE N N 120 119.580 119.580 120.408 -0.828 18329 8842 1 10 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.113 -0.303 18329 8843 1 10 . 1 1 97 97 PHE C C 120 178.800 178.800 177.145 1.655 18329 8844 1 10 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.250 0.550 18329 8845 1 10 . 1 1 97 97 PHE CB C 120 39.200 39.200 39.387 -0.187 18329 8846 1 10 . 1 1 97 97 PHE H H 120 8.940 8.940 7.699 1.241 18329 8847 1 10 . 1 1 98 98 GLU N N 121 119.940 119.940 119.034 0.906 18329 8848 1 10 . 1 1 98 98 GLU HA H 121 3.880 3.880 3.984 -0.104 18329 8849 1 10 . 1 1 98 98 GLU C C 121 180.800 180.800 179.443 1.357 18329 8850 1 10 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.289 0.511 18329 8851 1 10 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.667 -0.467 18329 8852 1 10 . 1 1 98 98 GLU H H 121 8.690 8.690 8.393 0.297 18329 8853 1 10 . 1 1 99 99 VAL N N 122 115.350 115.350 119.320 -3.970 18329 8854 1 10 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.761 -0.021 18329 8855 1 10 . 1 1 99 99 VAL C C 122 176.500 176.500 176.668 -0.168 18329 8856 1 10 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.156 0.343 18329 8857 1 10 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.214 0.086 18329 8858 1 10 . 1 1 99 99 VAL H H 122 8.210 8.210 8.142 0.068 18329 8859 1 10 . 1 1 100 100 SER N N 123 115.450 115.450 114.441 1.009 18329 8860 1 10 . 1 1 100 100 SER HA H 123 4.270 4.270 4.136 0.134 18329 8861 1 10 . 1 1 100 100 SER C C 123 174.700 174.700 176.035 -1.335 18329 8862 1 10 . 1 1 100 100 SER CA C 123 62.000 62.000 60.608 1.393 18329 8863 1 10 . 1 1 100 100 SER H H 123 7.520 7.520 7.555 -0.035 18329 8864 1 10 . 1 1 101 101 LYS N N 124 120.310 120.310 121.109 -0.799 18329 8865 1 10 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.165 -0.195 18329 8866 1 10 . 1 1 101 101 LYS C C 124 176.600 176.600 176.493 0.107 18329 8867 1 10 . 1 1 101 101 LYS CA C 124 61.100 61.100 60.081 1.019 18329 8868 1 10 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.424 -1.924 18329 8869 1 10 . 1 1 101 101 LYS H H 124 6.930 6.930 7.191 -0.261 18329 8870 1 10 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.210 0.050 18329 8871 1 10 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.379 -0.179 18329 8872 1 10 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.220 -0.620 18329 8873 1 10 . 1 1 103 103 LEU N N 126 116.020 116.020 119.319 -3.299 18329 8874 1 10 . 1 1 103 103 LEU HA H 126 3.880 3.880 3.985 -0.105 18329 8875 1 10 . 1 1 103 103 LEU C C 126 177.900 177.900 179.119 -1.219 18329 8876 1 10 . 1 1 103 103 LEU CA C 126 57.700 57.700 58.012 -0.312 18329 8877 1 10 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.065 0.735 18329 8878 1 10 . 1 1 103 103 LEU H H 126 6.520 6.520 7.551 -1.031 18329 8879 1 10 . 1 1 104 104 GLN N N 127 120.500 120.500 117.777 2.723 18329 8880 1 10 . 1 1 104 104 GLN C C 127 180.600 180.600 178.697 1.903 18329 8881 1 10 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.565 -0.265 18329 8882 1 10 . 1 1 104 104 GLN CB C 127 29.000 29.000 27.678 1.322 18329 8883 1 10 . 1 1 104 104 GLN H H 127 8.160 8.160 7.823 0.337 18329 8884 1 10 . 1 1 105 105 LYS N N 128 120.000 120.000 118.764 1.236 18329 8885 1 10 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.044 0.006 18329 8886 1 10 . 1 1 105 105 LYS C C 128 177.100 177.100 177.499 -0.399 18329 8887 1 10 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.383 0.117 18329 8888 1 10 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.236 -0.836 18329 8889 1 10 . 1 1 105 105 LYS H H 128 7.810 7.810 7.591 0.219 18329 8890 1 10 . 1 1 106 106 LEU N N 129 118.530 118.530 115.357 3.173 18329 8891 1 10 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.411 -0.441 18329 8892 1 10 . 1 1 106 106 LEU C C 129 175.200 175.200 176.297 -1.097 18329 8893 1 10 . 1 1 106 106 LEU CA C 129 54.500 54.500 54.194 0.306 18329 8894 1 10 . 1 1 106 106 LEU CB C 129 42.400 42.400 42.746 -0.346 18329 8895 1 10 . 1 1 106 106 LEU H H 129 7.220 7.220 8.047 -0.827 18329 8896 1 10 . 1 1 107 107 GLY N N 130 101.490 101.490 106.439 -4.949 18329 8897 1 10 . 1 1 107 107 GLY C C 130 174.800 174.800 175.214 -0.414 18329 8898 1 10 . 1 1 107 107 GLY CA C 130 45.100 45.100 45.188 -0.088 18329 8899 1 10 . 1 1 107 107 GLY H H 130 7.560 7.560 7.438 0.122 18329 8900 1 10 . 1 1 108 108 ILE N N 131 121.340 121.340 119.704 1.636 18329 8901 1 10 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.888 0.262 18329 8902 1 10 . 1 1 108 108 ILE C C 131 174.300 174.300 175.364 -1.064 18329 8903 1 10 . 1 1 108 108 ILE CA C 131 60.400 60.400 60.699 -0.299 18329 8904 1 10 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.295 -2.095 18329 8905 1 10 . 1 1 108 108 ILE H H 131 7.290 7.290 7.272 0.018 18329 8906 1 10 . 1 1 109 109 GLN N N 132 125.650 125.650 120.085 5.565 18329 8907 1 10 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.031 -0.021 18329 8908 1 10 . 1 1 109 109 GLN C C 132 176.800 176.800 176.134 0.666 18329 8909 1 10 . 1 1 109 109 GLN CA C 132 57.600 57.600 57.757 -0.157 18329 8910 1 10 . 1 1 109 109 GLN CB C 132 29.000 29.000 28.468 0.531 18329 8911 1 10 . 1 1 109 109 GLN H H 132 8.080 8.080 7.898 0.182 18329 8912 1 10 . 1 1 110 110 GLU N N 133 114.890 114.890 122.776 -7.886 18329 8913 1 10 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.190 -0.040 18329 8914 1 10 . 1 1 110 110 GLU C C 133 177.100 177.100 176.645 0.455 18329 8915 1 10 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.305 -0.205 18329 8916 1 10 . 1 1 110 110 GLU CB C 133 27.300 27.300 29.665 -2.365 18329 8917 1 10 . 1 1 110 110 GLU H H 133 9.270 9.270 8.842 0.428 18329 8918 1 10 . 1 1 111 111 MET N N 134 121.210 121.210 119.890 1.320 18329 8919 1 10 . 1 1 111 111 MET HA H 134 4.350 4.350 4.269 0.081 18329 8920 1 10 . 1 1 111 111 MET C C 134 177.500 177.500 178.274 -0.774 18329 8921 1 10 . 1 1 111 111 MET CA C 134 57.900 57.900 59.295 -1.395 18329 8922 1 10 . 1 1 111 111 MET CB C 134 33.300 33.300 31.652 1.648 18329 8923 1 10 . 1 1 111 111 MET H H 134 7.620 7.620 8.299 -0.679 18329 8924 1 10 . 1 1 112 112 THR N N 135 113.170 113.170 112.613 0.557 18329 8925 1 10 . 1 1 112 112 THR HA H 135 3.920 3.920 4.045 -0.125 18329 8926 1 10 . 1 1 112 112 THR C C 135 176.400 176.400 176.705 -0.305 18329 8927 1 10 . 1 1 112 112 THR CA C 135 65.900 65.900 66.236 -0.335 18329 8928 1 10 . 1 1 112 112 THR CB C 135 68.200 68.200 67.997 0.203 18329 8929 1 10 . 1 1 112 112 THR H H 135 8.320 8.320 8.381 -0.061 18329 8930 1 10 . 1 1 113 113 LYS N N 136 123.440 123.440 121.853 1.587 18329 8931 1 10 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.208 -0.278 18329 8932 1 10 . 1 1 113 113 LYS C C 136 177.600 177.600 178.382 -0.782 18329 8933 1 10 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.640 -1.340 18329 8934 1 10 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.086 -0.086 18329 8935 1 10 . 1 1 113 113 LYS H H 136 8.060 8.060 7.775 0.285 18329 8936 1 10 . 1 1 114 114 THR N N 137 114.590 114.590 118.054 -3.464 18329 8937 1 10 . 1 1 114 114 THR HA H 137 4.000 4.000 4.050 -0.050 18329 8938 1 10 . 1 1 114 114 THR C C 137 176.800 176.800 176.629 0.171 18329 8939 1 10 . 1 1 114 114 THR CA C 137 67.600 67.600 67.263 0.337 18329 8940 1 10 . 1 1 114 114 THR CB C 137 69.200 69.200 68.572 0.628 18329 8941 1 10 . 1 1 114 114 THR H H 137 7.950 7.950 8.701 -0.751 18329 8942 1 10 . 1 1 115 115 VAL N N 138 119.080 119.080 120.479 -1.399 18329 8943 1 10 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.704 0.116 18329 8944 1 10 . 1 1 115 115 VAL C C 138 176.900 176.900 177.249 -0.349 18329 8945 1 10 . 1 1 115 115 VAL CA C 138 66.800 66.800 66.108 0.693 18329 8946 1 10 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.655 0.845 18329 8947 1 10 . 1 1 115 115 VAL H H 138 7.320 7.320 8.522 -1.202 18329 8948 1 10 . 1 1 116 116 SER N N 139 116.630 116.630 115.289 1.341 18329 8949 1 10 . 1 1 116 116 SER HA H 139 4.680 4.680 4.390 0.290 18329 8950 1 10 . 1 1 116 116 SER C C 139 179.000 179.000 176.597 2.403 18329 8951 1 10 . 1 1 116 116 SER CA C 139 61.400 61.400 61.422 -0.022 18329 8952 1 10 . 1 1 116 116 SER CB C 139 62.800 62.800 62.863 -0.063 18329 8953 1 10 . 1 1 116 116 SER H H 139 8.990 8.990 7.722 1.268 18329 8954 1 10 . 1 1 117 117 ASP N N 140 124.220 124.220 121.786 2.434 18329 8955 1 10 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.459 -0.099 18329 8956 1 10 . 1 1 117 117 ASP C C 140 179.900 179.900 178.240 1.660 18329 8957 1 10 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.977 0.323 18329 8958 1 10 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.505 -1.005 18329 8959 1 10 . 1 1 117 117 ASP H H 140 9.480 9.480 8.476 1.004 18329 8960 1 10 . 1 1 118 118 ALA N N 141 121.420 121.420 121.265 0.155 18329 8961 1 10 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.235 0.045 18329 8962 1 10 . 1 1 118 118 ALA C C 141 179.800 179.800 179.156 0.644 18329 8963 1 10 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.824 -0.424 18329 8964 1 10 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.448 0.552 18329 8965 1 10 . 1 1 118 118 ALA H H 141 7.340 7.340 7.858 -0.518 18329 8966 1 10 . 1 1 119 119 ALA N N 142 121.680 121.680 121.006 0.674 18329 8967 1 10 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.116 0.014 18329 8968 1 10 . 1 1 119 119 ALA C C 142 178.800 178.800 179.250 -0.450 18329 8969 1 10 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.456 -1.256 18329 8970 1 10 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.368 -0.068 18329 8971 1 10 . 1 1 119 119 ALA H H 142 7.890 7.890 7.495 0.395 18329 8972 1 10 . 1 1 120 120 GLU N N 143 117.690 117.690 117.688 0.002 18329 8973 1 10 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.079 -0.139 18329 8974 1 10 . 1 1 120 120 GLU C C 143 178.100 178.100 178.491 -0.391 18329 8975 1 10 . 1 1 120 120 GLU CA C 143 58.700 58.700 58.483 0.217 18329 8976 1 10 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.743 -0.243 18329 8977 1 10 . 1 1 120 120 GLU H H 143 7.500 7.500 7.932 -0.432 18329 8978 1 10 . 1 1 121 121 GLU N N 144 115.680 115.680 118.888 -3.208 18329 8979 1 10 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.228 -0.068 18329 8980 1 10 . 1 1 121 121 GLU C C 144 176.100 176.100 176.734 -0.634 18329 8981 1 10 . 1 1 121 121 GLU CA C 144 56.900 56.900 57.783 -0.883 18329 8982 1 10 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.561 0.539 18329 8983 1 10 . 1 1 121 121 GLU H H 144 6.970 6.970 7.744 -0.774 18329 8984 1 10 . 1 1 122 122 ASN N N 145 117.750 117.750 116.750 1.000 18329 8985 1 10 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.132 -0.142 18329 8986 1 10 . 1 1 122 122 ASN C C 145 185.300 185.300 173.004 12.296 18329 8987 1 10 . 1 1 122 122 ASN CA C 145 50.200 50.200 51.005 -0.805 18329 8988 1 10 . 1 1 122 122 ASN CB C 145 41.100 41.100 40.836 0.264 18329 8989 1 10 . 1 1 122 122 ASN H H 145 7.670 7.670 8.211 -0.541 18329 8990 1 10 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.669 -0.039 18329 8991 1 10 . 1 1 123 123 PRO CA C 146 61.000 61.000 61.784 -0.784 18329 8992 1 10 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.166 0.134 18329 8993 1 10 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.205 0.235 18329 8994 1 10 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.801 -0.901 18329 8995 1 10 . 1 1 124 124 PRO CB C 147 28.400 28.400 30.948 -2.548 18329 8996 1 10 . 1 1 125 125 THR N N 148 106.090 106.090 115.885 -9.795 18329 8997 1 10 . 1 1 125 125 THR HA H 148 4.530 4.530 4.527 0.003 18329 8998 1 10 . 1 1 125 125 THR C C 148 174.300 174.300 174.106 0.194 18329 8999 1 10 . 1 1 125 125 THR CA C 148 61.200 61.200 62.457 -1.257 18329 9000 1 10 . 1 1 125 125 THR CB C 148 68.600 68.600 70.491 -1.891 18329 9001 1 10 . 1 1 125 125 THR H H 148 7.800 7.800 8.226 -0.426 18329 9002 1 10 . 1 1 126 126 THR N N 149 108.650 108.650 114.874 -6.224 18329 9003 1 10 . 1 1 126 126 THR HA H 149 4.170 4.170 4.562 -0.392 18329 9004 1 10 . 1 1 126 126 THR C C 149 173.100 173.100 173.399 -0.299 18329 9005 1 10 . 1 1 126 126 THR CA C 149 58.800 58.800 59.965 -1.165 18329 9006 1 10 . 1 1 126 126 THR CB C 149 73.100 73.100 72.317 0.783 18329 9007 1 10 . 1 1 126 126 THR H H 149 7.350 7.350 7.228 0.122 18329 9008 1 10 . 1 1 127 127 ALA N N 150 123.270 123.270 123.912 -0.642 18329 9009 1 10 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.065 -0.045 18329 9010 1 10 . 1 1 127 127 ALA CA C 150 55.000 55.000 54.691 0.309 18329 9011 1 10 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.453 0.247 18329 9012 1 10 . 1 1 127 127 ALA H H 150 7.750 7.750 8.350 -0.600 18329 9013 1 10 . 1 1 128 128 GLN N N 151 114.920 114.920 117.263 -2.343 18329 9014 1 10 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.031 -0.281 18329 9015 1 10 . 1 1 128 128 GLN C C 151 178.400 178.400 178.159 0.241 18329 9016 1 10 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.415 0.385 18329 9017 1 10 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.176 -0.976 18329 9018 1 10 . 1 1 128 128 GLN H H 151 8.300 8.300 8.680 -0.380 18329 9019 1 10 . 1 1 129 129 GLY N N 152 107.280 107.280 106.713 0.567 18329 9020 1 10 . 1 1 129 129 GLY C C 152 174.900 174.900 175.922 -1.022 18329 9021 1 10 . 1 1 129 129 GLY CA C 152 47.200 47.200 47.145 0.055 18329 9022 1 10 . 1 1 129 129 GLY H H 152 7.920 7.920 8.290 -0.370 18329 9023 1 10 . 1 1 130 130 VAL N N 153 119.440 119.440 122.748 -3.308 18329 9024 1 10 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.724 -0.254 18329 9025 1 10 . 1 1 130 130 VAL C C 153 177.700 177.700 177.646 0.054 18329 9026 1 10 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.777 2.023 18329 9027 1 10 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.599 0.101 18329 9028 1 10 . 1 1 130 130 VAL H H 153 7.390 7.390 7.155 0.235 18329 9029 1 10 . 1 1 131 131 LEU N N 154 118.990 118.990 120.485 -1.495 18329 9030 1 10 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.816 0.094 18329 9031 1 10 . 1 1 131 131 LEU C C 154 180.400 180.400 178.871 1.529 18329 9032 1 10 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.971 -0.671 18329 9033 1 10 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.255 -0.255 18329 9034 1 10 . 1 1 131 131 LEU H H 154 8.640 8.640 7.513 1.127 18329 9035 1 10 . 1 1 132 132 GLU N N 155 120.980 120.980 119.363 1.617 18329 9036 1 10 . 1 1 132 132 GLU HA H 155 4.120 4.120 3.963 0.157 18329 9037 1 10 . 1 1 132 132 GLU C C 155 179.400 179.400 179.208 0.192 18329 9038 1 10 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.841 -0.941 18329 9039 1 10 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.238 -0.038 18329 9040 1 10 . 1 1 132 132 GLU H H 155 8.000 8.000 7.719 0.281 18329 9041 1 10 . 1 1 133 133 ILE N N 156 121.830 121.830 119.832 1.998 18329 9042 1 10 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.871 -0.291 18329 9043 1 10 . 1 1 133 133 ILE C C 156 178.000 178.000 178.255 -0.255 18329 9044 1 10 . 1 1 133 133 ILE CA C 156 65.500 65.500 62.954 2.546 18329 9045 1 10 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.488 3.112 18329 9046 1 10 . 1 1 133 133 ILE H H 156 8.040 8.040 7.222 0.818 18329 9047 1 10 . 1 1 134 134 ALA N N 157 121.470 121.470 123.827 -2.357 18329 9048 1 10 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.945 -0.045 18329 9049 1 10 . 1 1 134 134 ALA C C 157 178.800 178.800 179.805 -1.005 18329 9050 1 10 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.400 -0.100 18329 9051 1 10 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.222 -0.122 18329 9052 1 10 . 1 1 134 134 ALA H H 157 8.950 8.950 8.717 0.233 18329 9053 1 10 . 1 1 135 135 LYS N N 158 118.470 118.470 118.185 0.285 18329 9054 1 10 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.948 -0.038 18329 9055 1 10 . 1 1 135 135 LYS C C 158 179.300 179.300 178.908 0.392 18329 9056 1 10 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.734 -0.234 18329 9057 1 10 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.368 -0.968 18329 9058 1 10 . 1 1 135 135 LYS H H 158 8.000 8.000 8.118 -0.118 18329 9059 1 10 . 1 1 136 136 LYS N N 159 118.000 118.000 120.225 -2.225 18329 9060 1 10 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.073 -0.023 18329 9061 1 10 . 1 1 136 136 LYS C C 159 180.200 180.200 179.322 0.878 18329 9062 1 10 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.293 0.207 18329 9063 1 10 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.304 -1.404 18329 9064 1 10 . 1 1 136 136 LYS H H 159 7.530 7.530 7.969 -0.439 18329 9065 1 10 . 1 1 137 137 MET N N 160 120.990 120.990 119.490 1.500 18329 9066 1 10 . 1 1 137 137 MET HA H 160 3.800 3.800 4.126 -0.326 18329 9067 1 10 . 1 1 137 137 MET C C 160 177.400 177.400 178.096 -0.696 18329 9068 1 10 . 1 1 137 137 MET CA C 160 60.600 60.600 60.044 0.556 18329 9069 1 10 . 1 1 137 137 MET CB C 160 31.800 31.800 32.789 -0.989 18329 9070 1 10 . 1 1 137 137 MET H H 160 8.660 8.660 8.521 0.139 18329 9071 1 10 . 1 1 138 138 ARG N N 161 119.480 119.480 119.091 0.389 18329 9072 1 10 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.926 -0.126 18329 9073 1 10 . 1 1 138 138 ARG C C 161 177.900 177.900 178.311 -0.411 18329 9074 1 10 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.739 0.861 18329 9075 1 10 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.280 -0.480 18329 9076 1 10 . 1 1 138 138 ARG H H 161 9.280 9.280 8.320 0.960 18329 9077 1 10 . 1 1 139 139 GLU N N 162 118.700 118.700 119.438 -0.738 18329 9078 1 10 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.046 -0.046 18329 9079 1 10 . 1 1 139 139 GLU C C 162 179.100 179.100 178.564 0.536 18329 9080 1 10 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.440 0.360 18329 9081 1 10 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.577 -0.077 18329 9082 1 10 . 1 1 139 139 GLU H H 162 8.430 8.430 8.363 0.067 18329 9083 1 10 . 1 1 140 140 LYS N N 163 119.310 119.310 119.230 0.080 18329 9084 1 10 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.110 0.100 18329 9085 1 10 . 1 1 140 140 LYS C C 163 177.900 177.900 179.294 -1.394 18329 9086 1 10 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.830 0.070 18329 9087 1 10 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.481 -1.381 18329 9088 1 10 . 1 1 140 140 LYS H H 163 7.440 7.440 7.773 -0.333 18329 9089 1 10 . 1 1 141 141 LEU N N 164 117.630 117.630 119.264 -1.634 18329 9090 1 10 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.068 -0.178 18329 9091 1 10 . 1 1 141 141 LEU C C 164 178.700 178.700 178.834 -0.134 18329 9092 1 10 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.239 0.761 18329 9093 1 10 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.935 -0.435 18329 9094 1 10 . 1 1 141 141 LEU H H 164 8.180 8.180 7.927 0.253 18329 9095 1 10 . 1 1 142 142 GLN N N 165 117.710 117.710 118.792 -1.082 18329 9096 1 10 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.993 0.317 18329 9097 1 10 . 1 1 142 142 GLN C C 165 179.200 179.200 177.811 1.389 18329 9098 1 10 . 1 1 142 142 GLN CA C 165 58.500 58.500 58.940 -0.440 18329 9099 1 10 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.199 -0.699 18329 9100 1 10 . 1 1 142 142 GLN H H 165 8.730 8.730 7.813 0.917 18329 9101 1 10 . 1 1 143 143 ARG N N 166 121.410 121.410 119.178 2.232 18329 9102 1 10 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.143 0.047 18329 9103 1 10 . 1 1 143 143 ARG C C 166 179.700 179.700 178.404 1.296 18329 9104 1 10 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.297 0.503 18329 9105 1 10 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.365 0.835 18329 9106 1 10 . 1 1 143 143 ARG H H 166 8.050 8.050 7.805 0.245 18329 9107 1 10 . 1 1 144 144 VAL N N 167 120.950 120.950 119.303 1.647 18329 9108 1 10 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.772 -0.012 18329 9109 1 10 . 1 1 144 144 VAL C C 167 179.200 179.200 177.947 1.253 18329 9110 1 10 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.723 -0.323 18329 9111 1 10 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.132 0.968 18329 9112 1 10 . 1 1 144 144 VAL H H 167 8.190 8.190 7.377 0.813 18329 9113 1 10 . 1 1 145 145 HIS N N 168 123.520 123.520 118.850 4.670 18329 9114 1 10 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.468 -0.568 18329 9115 1 10 . 1 1 145 145 HIS C C 168 177.100 177.100 177.846 -0.746 18329 9116 1 10 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.342 1.958 18329 9117 1 10 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.186 -0.286 18329 9118 1 10 . 1 1 145 145 HIS H H 168 9.240 9.240 7.673 1.567 18329 9119 1 10 . 1 1 146 146 THR N N 169 115.020 115.020 117.141 -2.121 18329 9120 1 10 . 1 1 146 146 THR HA H 169 3.860 3.860 4.197 -0.337 18329 9121 1 10 . 1 1 146 146 THR C C 169 175.700 175.700 176.079 -0.379 18329 9122 1 10 . 1 1 146 146 THR CA C 169 67.200 67.200 66.805 0.395 18329 9123 1 10 . 1 1 146 146 THR CB C 169 69.300 69.300 69.019 0.281 18329 9124 1 10 . 1 1 146 146 THR H H 169 8.750 8.750 8.483 0.267 18329 9125 1 10 . 1 1 147 147 LYS N N 170 120.300 120.300 121.768 -1.468 18329 9126 1 10 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.935 0.065 18329 9127 1 10 . 1 1 147 147 LYS C C 170 179.300 179.300 178.397 0.903 18329 9128 1 10 . 1 1 147 147 LYS CA C 170 59.100 59.100 60.150 -1.050 18329 9129 1 10 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.406 -0.606 18329 9130 1 10 . 1 1 147 147 LYS H H 170 8.020 8.020 8.369 -0.349 18329 9131 1 10 . 1 1 148 148 ASN N N 171 117.600 117.600 117.048 0.552 18329 9132 1 10 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.491 -0.171 18329 9133 1 10 . 1 1 148 148 ASN C C 171 175.400 175.400 177.375 -1.975 18329 9134 1 10 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.704 1.996 18329 9135 1 10 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.451 1.249 18329 9136 1 10 . 1 1 148 148 ASN H H 171 7.810 7.810 7.642 0.168 18329 9137 1 10 . 1 1 149 149 TYR N N 172 121.560 121.560 120.988 0.572 18329 9138 1 10 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.329 -0.439 18329 9139 1 10 . 1 1 149 149 TYR C C 172 176.900 176.900 177.638 -0.738 18329 9140 1 10 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.554 -0.054 18329 9141 1 10 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.559 0.361 18329 9142 1 10 . 1 1 149 149 TYR H H 172 9.020 9.020 7.842 1.178 18329 9143 1 10 . 1 1 150 150 CYS N N 173 116.050 116.050 118.827 -2.777 18329 9144 1 10 . 1 1 150 150 CYS C C 173 177.100 177.100 176.896 0.204 18329 9145 1 10 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.312 -2.912 18329 9146 1 10 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.187 12.413 18329 9147 1 10 . 1 1 150 150 CYS H H 173 8.810 8.810 8.636 0.174 18329 9148 1 10 . 1 1 151 151 THR N N 174 117.190 117.190 115.434 1.756 18329 9149 1 10 . 1 1 151 151 THR HA H 174 3.880 3.880 4.064 -0.184 18329 9150 1 10 . 1 1 151 151 THR C C 174 176.000 176.000 175.993 0.007 18329 9151 1 10 . 1 1 151 151 THR CA C 174 66.900 66.900 65.307 1.593 18329 9152 1 10 . 1 1 151 151 THR CB C 174 68.500 68.500 68.357 0.143 18329 9153 1 10 . 1 1 151 151 THR H H 174 7.720 7.720 7.765 -0.045 18329 9154 1 10 . 1 1 152 152 LEU N N 175 123.110 123.110 122.052 1.058 18329 9155 1 10 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.220 -0.410 18329 9156 1 10 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.531 0.469 18329 9157 1 10 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.957 -0.457 18329 9158 1 10 . 1 1 152 152 LEU H H 175 7.870 7.870 7.432 0.438 18329 9159 1 10 . 1 1 153 153 LYS N N 176 117.270 117.270 118.352 -1.082 18329 9160 1 10 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.831 -0.131 18329 9161 1 10 . 1 1 153 153 LYS C C 176 179.100 179.100 178.597 0.503 18329 9162 1 10 . 1 1 153 153 LYS CA C 176 56.700 56.700 58.847 -2.147 18329 9163 1 10 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.141 -1.241 18329 9164 1 10 . 1 1 153 153 LYS H H 176 7.900 7.900 7.909 -0.009 18329 9165 1 10 . 1 1 154 154 LYS N N 177 119.290 119.290 119.897 -0.607 18329 9166 1 10 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.074 0.186 18329 9167 1 10 . 1 1 154 154 LYS C C 177 178.100 178.100 177.090 1.010 18329 9168 1 10 . 1 1 154 154 LYS CA C 177 57.800 57.800 58.382 -0.582 18329 9169 1 10 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.930 -0.130 18329 9170 1 10 . 1 1 154 154 LYS H H 177 7.540 7.540 7.488 0.052 18329 9171 1 10 . 1 1 155 155 LYS N N 178 118.910 118.910 116.628 2.282 18329 9172 1 10 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.194 -0.144 18329 9173 1 10 . 1 1 155 155 LYS C C 178 178.100 178.100 178.126 -0.026 18329 9174 1 10 . 1 1 155 155 LYS CA C 178 58.000 58.000 57.762 0.238 18329 9175 1 10 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.443 -0.243 18329 9176 1 10 . 1 1 155 155 LYS H H 178 7.630 7.630 7.928 -0.298 18329 9177 1 10 . 1 1 156 156 GLU N N 179 117.950 117.950 118.860 -0.910 18329 9178 1 10 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.071 0.039 18329 9179 1 10 . 1 1 156 156 GLU C C 179 176.700 176.700 177.416 -0.716 18329 9180 1 10 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.619 -1.119 18329 9181 1 10 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.662 -0.062 18329 9182 1 10 . 1 1 156 156 GLU H H 179 7.560 7.560 7.907 -0.347 18329 9183 1 10 . 1 1 157 157 ASN N N 180 116.590 116.590 114.380 2.210 18329 9184 1 10 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.774 -0.054 18329 9185 1 10 . 1 1 157 157 ASN C C 180 175.000 175.000 175.646 -0.646 18329 9186 1 10 . 1 1 157 157 ASN CA C 180 52.700 52.700 53.403 -0.703 18329 9187 1 10 . 1 1 157 157 ASN CB C 180 38.800 38.800 39.603 -0.803 18329 9188 1 10 . 1 1 157 157 ASN H H 180 7.820 7.820 8.077 -0.257 18329 9189 1 10 . 1 1 158 158 SER HA H 181 4.450 4.450 4.514 -0.064 18329 9190 1 10 . 1 1 158 158 SER CA C 181 60.400 60.400 59.726 0.674 18329 9191 1 10 . 1 1 158 158 SER CB C 181 63.500 63.500 62.912 0.588 18329 9192 1 10 . 1 1 158 158 SER H H 181 8.030 8.030 8.110 -0.080 18329 9193 1 10 . 1 1 159 159 THR N N 182 112.800 112.800 113.491 -0.691 18329 9194 1 10 . 1 1 159 159 THR HA H 182 4.380 4.380 4.613 -0.233 18329 9195 1 10 . 1 1 159 159 THR C C 182 174.300 174.300 173.746 0.554 18329 9196 1 10 . 1 1 159 159 THR CA C 182 61.800 61.800 61.284 0.516 18329 9197 1 10 . 1 1 159 159 THR CB C 182 69.100 69.100 68.453 0.647 18329 9198 1 10 . 1 1 159 159 THR H H 182 8.070 8.070 7.994 0.076 18329 9199 1 10 . 1 1 160 160 PHE N N 183 123.120 123.120 123.061 0.059 18329 9200 1 10 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.382 0.058 18329 9201 1 10 . 1 1 160 160 PHE C C 183 175.100 175.100 176.363 -1.263 18329 9202 1 10 . 1 1 160 160 PHE CA C 183 58.900 58.900 58.575 0.325 18329 9203 1 10 . 1 1 160 160 PHE CB C 183 40.000 40.000 40.501 -0.501 18329 9204 1 10 . 1 1 160 160 PHE H H 183 7.900 7.900 7.948 -0.048 18329 9205 1 10 . 1 1 161 161 THR N N 184 119.330 119.330 122.678 -3.348 18329 9206 1 10 . 1 1 161 161 THR HA H 184 4.190 4.190 4.144 0.046 18329 9207 1 10 . 1 1 161 161 THR CA C 184 60.700 60.700 63.941 -3.241 18329 9208 1 10 . 1 1 161 161 THR CB C 184 70.700 70.700 67.689 3.011 18329 9209 1 10 . 1 1 161 161 THR H H 184 7.810 7.810 7.800 0.010 18329 9210 1 10 . 1 1 162 162 ASP N N 185 123.190 123.190 122.274 0.916 18329 9211 1 10 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.793 -0.383 18329 9212 1 10 . 1 1 162 162 ASP C C 185 176.900 176.900 174.982 1.918 18329 9213 1 10 . 1 1 162 162 ASP CA C 185 53.900 53.900 55.128 -1.228 18329 9214 1 10 . 1 1 162 162 ASP CB C 185 44.000 44.000 42.477 1.523 18329 9215 1 10 . 1 1 162 162 ASP H H 185 8.000 8.000 8.674 -0.674 18329 9216 1 10 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.260 0.220 18329 9217 1 10 . 1 1 163 163 GLU CA C 186 58.800 58.800 57.297 1.502 18329 9218 1 10 . 1 1 163 163 GLU CB C 186 28.100 28.100 29.708 -1.608 18329 9219 1 10 . 1 1 166 166 LYS N N 189 118.150 118.150 121.297 -3.147 18329 9220 1 10 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.199 0.021 18329 9221 1 10 . 1 1 166 166 LYS C C 189 177.500 177.500 176.409 1.091 18329 9222 1 10 . 1 1 166 166 LYS CA C 189 58.000 58.000 57.133 0.867 18329 9223 1 10 . 1 1 166 166 LYS CB C 189 32.600 32.600 33.115 -0.515 18329 9224 1 10 . 1 1 166 166 LYS H H 189 8.890 8.890 8.074 0.816 18329 9225 1 10 . 1 1 167 167 ASN N N 190 116.210 116.210 121.729 -5.519 18329 9226 1 10 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.682 0.278 18329 9227 1 10 . 1 1 167 167 ASN C C 190 174.900 174.900 175.100 -0.200 18329 9228 1 10 . 1 1 167 167 ASN CA C 190 52.900 52.900 53.306 -0.406 18329 9229 1 10 . 1 1 167 167 ASN CB C 190 38.400 38.400 39.131 -0.731 18329 9230 1 10 . 1 1 167 167 ASN H H 190 8.030 8.030 8.525 -0.495 18329 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 155 2.498 0.121 2.503 18329 2 1 1 "Average Difference" HA 165 0.257 0.029 0.256 18329 3 1 1 "Average Difference" C 145 1.538 -0.335 1.506 18329 4 1 1 "Average Difference" CA 164 1.157 -0.065 1.158 18329 5 1 1 "Average Difference" CB 154 1.470 -0.091 1.472 18329 6 1 1 "Average Difference" HN 156 0.547 -0.133 0.532 18329 7 1 2 "Average Difference" N 155 2.385 0.044 2.392 18329 8 1 2 "Average Difference" HA 165 0.248 0.039 0.246 18329 9 1 2 "Average Difference" C 145 1.492 -0.380 1.447 18329 10 1 2 "Average Difference" CA 164 1.060 -0.047 1.063 18329 11 1 2 "Average Difference" CB 154 1.420 -0.090 1.422 18329 12 1 2 "Average Difference" HN 156 0.634 -0.144 0.619 18329 13 1 3 "Average Difference" N 155 2.377 -0.136 2.381 18329 14 1 3 "Average Difference" HA 165 0.275 0.024 0.275 18329 15 1 3 "Average Difference" C 145 1.571 -0.437 1.514 18329 16 1 3 "Average Difference" CA 164 1.200 -0.104 1.199 18329 17 1 3 "Average Difference" CB 154 1.398 -0.109 1.398 18329 18 1 3 "Average Difference" HN 156 0.587 -0.150 0.569 18329 19 1 4 "Average Difference" N 155 2.766 -0.043 2.775 18329 20 1 4 "Average Difference" HA 165 0.249 0.046 0.246 18329 21 1 4 "Average Difference" C 145 1.555 -0.358 1.518 18329 22 1 4 "Average Difference" CA 164 1.163 -0.050 1.166 18329 23 1 4 "Average Difference" CB 154 1.483 -0.139 1.481 18329 24 1 4 "Average Difference" HN 156 0.621 -0.137 0.608 18329 25 1 5 "Average Difference" N 155 2.487 0.034 2.495 18329 26 1 5 "Average Difference" HA 165 0.248 0.044 0.245 18329 27 1 5 "Average Difference" C 145 1.507 -0.345 1.472 18329 28 1 5 "Average Difference" CA 164 1.129 -0.061 1.130 18329 29 1 5 "Average Difference" CB 154 1.493 -0.092 1.495 18329 30 1 5 "Average Difference" HN 156 0.570 -0.120 0.559 18329 31 1 6 "Average Difference" N 155 2.417 -0.274 2.409 18329 32 1 6 "Average Difference" HA 165 0.270 0.020 0.270 18329 33 1 6 "Average Difference" C 145 1.521 -0.354 1.484 18329 34 1 6 "Average Difference" CA 164 1.185 -0.064 1.187 18329 35 1 6 "Average Difference" CB 154 1.446 -0.096 1.448 18329 36 1 6 "Average Difference" HN 156 0.589 -0.202 0.555 18329 37 1 7 "Average Difference" N 155 2.651 0.053 2.659 18329 38 1 7 "Average Difference" HA 165 0.250 0.063 0.243 18329 39 1 7 "Average Difference" C 145 1.597 -0.434 1.542 18329 40 1 7 "Average Difference" CA 164 1.197 -0.074 1.198 18329 41 1 7 "Average Difference" CB 154 1.494 -0.030 1.499 18329 42 1 7 "Average Difference" HN 156 0.566 -0.142 0.550 18329 43 1 8 "Average Difference" N 155 2.614 -0.016 2.623 18329 44 1 8 "Average Difference" HA 165 0.267 0.049 0.263 18329 45 1 8 "Average Difference" C 145 1.524 -0.416 1.472 18329 46 1 8 "Average Difference" CA 164 1.165 -0.172 1.156 18329 47 1 8 "Average Difference" CB 154 1.438 -0.016 1.443 18329 48 1 8 "Average Difference" HN 156 0.557 -0.156 0.537 18329 49 1 9 "Average Difference" N 155 2.429 -0.212 2.428 18329 50 1 9 "Average Difference" HA 165 0.262 0.050 0.258 18329 51 1 9 "Average Difference" C 145 1.499 -0.384 1.453 18329 52 1 9 "Average Difference" CA 164 1.215 -0.082 1.216 18329 53 1 9 "Average Difference" CB 154 1.531 -0.080 1.534 18329 54 1 9 "Average Difference" HN 156 0.604 -0.133 0.591 18329 55 1 10 "Average Difference" N 155 2.607 0.161 2.611 18329 56 1 10 "Average Difference" HA 165 0.257 0.053 0.252 18329 57 1 10 "Average Difference" C 145 1.445 -0.355 1.405 18329 58 1 10 "Average Difference" CA 164 1.069 -0.088 1.069 18329 59 1 10 "Average Difference" CB 154 1.390 -0.004 1.394 18329 60 1 10 "Average Difference" HN 156 0.566 -0.151 0.547 18329 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 18329 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 25 125.000 125.000 126.369 -1.369 18329 2 1 . 1 1 2 2 ALA HA H 25 4.370 4.370 4.362 0.008 18329 3 1 . 1 1 2 2 ALA CA C 25 52.300 52.300 52.792 -0.492 18329 4 1 . 1 1 2 2 ALA CB C 25 19.700 19.700 18.968 0.732 18329 5 1 . 1 1 2 2 ALA H H 25 8.690 8.690 8.290 0.400 18329 6 1 . 1 1 3 3 GLY N N 26 106.920 106.920 107.518 -0.598 18329 7 1 . 1 1 3 3 GLY CA C 26 44.000 44.000 45.353 -1.353 18329 8 1 . 1 1 3 3 GLY H H 26 7.940 7.940 8.202 -0.262 18329 9 1 . 1 1 4 4 LEU N N 27 119.140 119.140 121.524 -2.384 18329 10 1 . 1 1 4 4 LEU HA H 27 4.410 4.410 4.315 0.095 18329 11 1 . 1 1 4 4 LEU C C 27 177.100 177.100 176.599 0.501 18329 12 1 . 1 1 4 4 LEU CA C 27 54.400 54.400 55.362 -0.962 18329 13 1 . 1 1 4 4 LEU CB C 27 42.100 42.100 42.029 0.071 18329 14 1 . 1 1 4 4 LEU H H 27 8.210 8.210 8.106 0.104 18329 15 1 . 1 1 5 5 THR N N 28 112.940 112.940 112.476 0.464 18329 16 1 . 1 1 5 5 THR HA H 28 4.650 4.650 4.228 0.422 18329 17 1 . 1 1 5 5 THR C C 28 175.500 175.500 174.617 0.883 18329 18 1 . 1 1 5 5 THR CA C 28 60.100 60.100 62.407 -2.307 18329 19 1 . 1 1 5 5 THR CB C 28 72.600 72.600 69.079 3.521 18329 20 1 . 1 1 5 5 THR H H 28 9.220 9.220 8.042 1.178 18329 21 1 . 1 1 6 6 GLY N N 29 108.230 108.230 109.531 -1.301 18329 22 1 . 1 1 6 6 GLY C C 29 174.800 174.800 174.667 0.133 18329 23 1 . 1 1 6 6 GLY CA C 29 46.000 46.000 45.005 0.996 18329 24 1 . 1 1 6 6 GLY H H 29 8.520 8.520 8.267 0.253 18329 25 1 . 1 1 7 7 ALA HA H 30 4.040 4.040 4.117 -0.078 18329 26 1 . 1 1 7 7 ALA CA C 30 54.800 54.800 53.914 0.886 18329 27 1 . 1 1 7 7 ALA CB C 30 18.200 18.200 18.227 -0.027 18329 28 1 . 1 1 8 8 THR N N 31 116.970 116.970 115.240 1.730 18329 29 1 . 1 1 8 8 THR HA H 31 3.740 3.740 3.916 -0.176 18329 30 1 . 1 1 8 8 THR C C 31 175.300 175.300 176.238 -0.938 18329 31 1 . 1 1 8 8 THR CA C 31 67.000 67.000 66.470 0.530 18329 32 1 . 1 1 8 8 THR CB C 31 68.700 68.700 68.511 0.189 18329 33 1 . 1 1 8 8 THR H H 31 8.110 8.110 8.125 -0.015 18329 34 1 . 1 1 9 9 LYS N N 32 120.540 120.540 121.526 -0.986 18329 35 1 . 1 1 9 9 LYS HA H 32 3.590 3.590 4.072 -0.483 18329 36 1 . 1 1 9 9 LYS C C 32 176.900 176.900 178.596 -1.696 18329 37 1 . 1 1 9 9 LYS CA C 32 59.800 59.800 59.249 0.551 18329 38 1 . 1 1 9 9 LYS CB C 32 32.400 32.400 31.887 0.513 18329 39 1 . 1 1 9 9 LYS H H 32 6.860 6.860 7.917 -1.057 18329 40 1 . 1 1 10 10 ILE N N 33 115.940 115.940 118.823 -2.883 18329 41 1 . 1 1 10 10 ILE HA H 33 3.710 3.710 3.817 -0.107 18329 42 1 . 1 1 10 10 ILE C C 33 179.000 179.000 178.201 0.799 18329 43 1 . 1 1 10 10 ILE CA C 33 64.000 64.000 64.718 -0.718 18329 44 1 . 1 1 10 10 ILE CB C 33 38.000 38.000 37.544 0.456 18329 45 1 . 1 1 10 10 ILE H H 33 7.380 7.380 8.190 -0.810 18329 46 1 . 1 1 11 11 ARG N N 34 118.350 118.350 120.304 -1.954 18329 47 1 . 1 1 11 11 ARG HA H 34 4.040 4.040 4.060 -0.019 18329 48 1 . 1 1 11 11 ARG C C 34 180.000 180.000 178.842 1.158 18329 49 1 . 1 1 11 11 ARG CA C 34 59.400 59.400 59.615 -0.215 18329 50 1 . 1 1 11 11 ARG CB C 34 30.300 30.300 30.073 0.227 18329 51 1 . 1 1 11 11 ARG H H 34 8.250 8.250 7.787 0.463 18329 52 1 . 1 1 12 12 LEU N N 35 117.420 117.420 119.793 -2.373 18329 53 1 . 1 1 12 12 LEU HA H 35 4.170 4.170 4.141 0.029 18329 54 1 . 1 1 12 12 LEU C C 35 179.000 179.000 179.122 -0.122 18329 55 1 . 1 1 12 12 LEU CA C 35 58.000 58.000 57.897 0.103 18329 56 1 . 1 1 12 12 LEU CB C 35 40.800 40.800 41.727 -0.927 18329 57 1 . 1 1 12 12 LEU H H 35 8.340 8.340 7.881 0.459 18329 58 1 . 1 1 13 13 GLU N N 36 117.890 117.890 119.685 -1.795 18329 59 1 . 1 1 13 13 GLU HA H 36 4.020 4.020 3.987 0.033 18329 60 1 . 1 1 13 13 GLU C C 36 180.100 180.100 178.962 1.138 18329 61 1 . 1 1 13 13 GLU CA C 36 60.200 60.200 59.755 0.445 18329 62 1 . 1 1 13 13 GLU CB C 36 28.300 28.300 29.481 -1.181 18329 63 1 . 1 1 13 13 GLU H H 36 8.610 8.610 8.366 0.244 18329 64 1 . 1 1 14 14 ARG N N 37 121.100 121.100 119.024 2.076 18329 65 1 . 1 1 14 14 ARG HA H 37 4.240 4.240 4.072 0.168 18329 66 1 . 1 1 14 14 ARG C C 37 178.100 178.100 178.837 -0.737 18329 67 1 . 1 1 14 14 ARG CA C 37 58.500 58.500 59.316 -0.816 18329 68 1 . 1 1 14 14 ARG CB C 37 30.200 30.200 30.231 -0.031 18329 69 1 . 1 1 14 14 ARG H H 37 7.980 7.980 8.261 -0.281 18329 70 1 . 1 1 15 15 SER N N 38 115.420 115.420 114.833 0.587 18329 71 1 . 1 1 15 15 SER HA H 38 4.380 4.380 4.506 -0.126 18329 72 1 . 1 1 15 15 SER C C 38 177.300 177.300 175.953 1.347 18329 73 1 . 1 1 15 15 SER CA C 38 62.200 62.200 60.960 1.240 18329 74 1 . 1 1 15 15 SER CB C 38 63.200 63.200 63.179 0.021 18329 75 1 . 1 1 15 15 SER H H 38 8.230 8.230 8.262 -0.032 18329 76 1 . 1 1 16 16 ALA N N 39 123.970 123.970 123.876 0.094 18329 77 1 . 1 1 16 16 ALA HA H 39 3.630 3.630 4.031 -0.401 18329 78 1 . 1 1 16 16 ALA C C 39 179.500 179.500 179.510 -0.010 18329 79 1 . 1 1 16 16 ALA CA C 39 54.700 54.700 54.516 0.184 18329 80 1 . 1 1 16 16 ALA CB C 39 18.000 18.000 18.484 -0.484 18329 81 1 . 1 1 16 16 ALA H H 39 8.280 8.280 8.065 0.215 18329 82 1 . 1 1 17 17 LYS N N 40 121.690 121.690 119.355 2.335 18329 83 1 . 1 1 17 17 LYS HA H 40 4.090 4.090 3.995 0.095 18329 84 1 . 1 1 17 17 LYS C C 40 178.000 178.000 178.065 -0.065 18329 85 1 . 1 1 17 17 LYS CA C 40 58.400 58.400 59.343 -0.943 18329 86 1 . 1 1 17 17 LYS CB C 40 31.800 31.800 32.208 -0.408 18329 87 1 . 1 1 17 17 LYS H H 40 7.930 7.930 8.068 -0.138 18329 88 1 . 1 1 18 18 ASP N N 41 118.730 118.730 118.766 -0.036 18329 89 1 . 1 1 18 18 ASP HA H 41 4.360 4.360 4.457 -0.097 18329 90 1 . 1 1 18 18 ASP C C 41 179.900 179.900 178.613 1.287 18329 91 1 . 1 1 18 18 ASP CA C 41 57.700 57.700 56.799 0.901 18329 92 1 . 1 1 18 18 ASP CB C 41 39.600 39.600 40.194 -0.595 18329 93 1 . 1 1 18 18 ASP H H 41 8.320 8.320 7.759 0.561 18329 94 1 . 1 1 19 19 ILE N N 42 118.180 118.180 119.767 -1.587 18329 95 1 . 1 1 19 19 ILE HA H 42 3.690 3.690 3.712 -0.022 18329 96 1 . 1 1 19 19 ILE C C 42 177.400 177.400 177.779 -0.379 18329 97 1 . 1 1 19 19 ILE CA C 42 65.200 65.200 65.332 -0.132 18329 98 1 . 1 1 19 19 ILE CB C 42 37.900 37.900 37.609 0.291 18329 99 1 . 1 1 19 19 ILE H H 42 7.420 7.420 7.725 -0.305 18329 100 1 . 1 1 20 20 THR N N 43 113.360 113.360 112.242 1.118 18329 101 1 . 1 1 20 20 THR HA H 43 3.770 3.770 4.025 -0.255 18329 102 1 . 1 1 20 20 THR C C 43 177.800 177.800 176.418 1.382 18329 103 1 . 1 1 20 20 THR CA C 43 66.400 66.400 65.584 0.816 18329 104 1 . 1 1 20 20 THR CB C 43 67.400 67.400 68.353 -0.953 18329 105 1 . 1 1 20 20 THR H H 43 7.610 7.610 7.568 0.042 18329 106 1 . 1 1 21 21 ASP N N 44 123.650 123.650 122.069 1.581 18329 107 1 . 1 1 21 21 ASP HA H 44 4.410 4.410 4.388 0.022 18329 108 1 . 1 1 21 21 ASP C C 44 179.200 179.200 178.340 0.860 18329 109 1 . 1 1 21 21 ASP CA C 44 57.200 57.200 57.325 -0.125 18329 110 1 . 1 1 21 21 ASP CB C 44 39.600 39.600 40.464 -0.864 18329 111 1 . 1 1 21 21 ASP H H 44 9.260 9.260 8.087 1.172 18329 112 1 . 1 1 22 22 GLU N N 45 123.560 123.560 119.134 4.426 18329 113 1 . 1 1 22 22 GLU HA H 45 4.370 4.370 4.151 0.219 18329 114 1 . 1 1 22 22 GLU C C 45 178.500 178.500 179.277 -0.777 18329 115 1 . 1 1 22 22 GLU CA C 45 58.200 58.200 58.870 -0.670 18329 116 1 . 1 1 22 22 GLU CB C 45 29.200 29.200 29.748 -0.548 18329 117 1 . 1 1 22 22 GLU H H 45 7.750 7.750 7.871 -0.121 18329 118 1 . 1 1 23 23 ILE N N 46 119.940 119.940 115.151 4.790 18329 119 1 . 1 1 23 23 ILE HA H 46 3.620 3.620 3.794 -0.174 18329 120 1 . 1 1 23 23 ILE C C 46 177.600 177.600 177.709 -0.109 18329 121 1 . 1 1 23 23 ILE CA C 46 65.600 65.600 64.231 1.369 18329 122 1 . 1 1 23 23 ILE CB C 46 37.000 37.000 37.429 -0.429 18329 123 1 . 1 1 23 23 ILE H H 46 8.360 8.360 7.333 1.027 18329 124 1 . 1 1 24 24 ASP N N 47 120.730 120.730 121.356 -0.626 18329 125 1 . 1 1 24 24 ASP HA H 47 4.400 4.400 4.352 0.048 18329 126 1 . 1 1 24 24 ASP C C 47 178.900 178.900 177.998 0.902 18329 127 1 . 1 1 24 24 ASP CA C 47 57.500 57.500 57.230 0.270 18329 128 1 . 1 1 24 24 ASP CB C 47 39.900 39.900 40.493 -0.594 18329 129 1 . 1 1 24 24 ASP H H 47 8.280 8.280 8.236 0.044 18329 130 1 . 1 1 25 25 ALA N N 48 123.870 123.870 121.342 2.528 18329 131 1 . 1 1 25 25 ALA HA H 48 4.120 4.120 4.059 0.061 18329 132 1 . 1 1 25 25 ALA C C 48 180.400 180.400 179.413 0.986 18329 133 1 . 1 1 25 25 ALA CA C 48 55.500 55.500 54.760 0.741 18329 134 1 . 1 1 25 25 ALA CB C 48 17.800 17.800 18.313 -0.513 18329 135 1 . 1 1 25 25 ALA H H 48 7.880 7.880 7.499 0.381 18329 136 1 . 1 1 26 26 ILE N N 49 121.970 121.970 118.219 3.751 18329 137 1 . 1 1 26 26 ILE HA H 49 3.730 3.730 3.693 0.037 18329 138 1 . 1 1 26 26 ILE C C 49 178.400 178.400 177.794 0.606 18329 139 1 . 1 1 26 26 ILE CA C 49 65.900 65.900 64.895 1.005 18329 140 1 . 1 1 26 26 ILE CB C 49 37.500 37.500 37.743 -0.243 18329 141 1 . 1 1 26 26 ILE H H 49 8.710 8.710 7.439 1.271 18329 142 1 . 1 1 27 27 LYS N N 50 119.820 119.820 119.361 0.459 18329 143 1 . 1 1 27 27 LYS HA H 50 3.880 3.880 3.650 0.230 18329 144 1 . 1 1 27 27 LYS C C 50 179.900 179.900 178.916 0.984 18329 145 1 . 1 1 27 27 LYS CA C 50 60.400 60.400 59.393 1.007 18329 146 1 . 1 1 27 27 LYS CB C 50 31.900 31.900 31.667 0.233 18329 147 1 . 1 1 27 27 LYS H H 50 8.540 8.540 7.790 0.750 18329 148 1 . 1 1 28 28 LYS N N 51 121.960 121.960 118.943 3.017 18329 149 1 . 1 1 28 28 LYS HA H 51 4.090 4.090 3.996 0.095 18329 150 1 . 1 1 28 28 LYS C C 51 179.200 179.200 178.972 0.228 18329 151 1 . 1 1 28 28 LYS CA C 51 59.300 59.300 59.112 0.188 18329 152 1 . 1 1 28 28 LYS CB C 51 31.400 31.400 32.158 -0.758 18329 153 1 . 1 1 28 28 LYS H H 51 8.070 8.070 7.445 0.625 18329 154 1 . 1 1 29 29 ASP N N 52 121.710 121.710 119.267 2.443 18329 155 1 . 1 1 29 29 ASP HA H 52 4.470 4.470 4.478 -0.008 18329 156 1 . 1 1 29 29 ASP C C 52 178.500 178.500 178.414 0.086 18329 157 1 . 1 1 29 29 ASP CA C 52 57.000 57.000 56.699 0.301 18329 158 1 . 1 1 29 29 ASP CB C 52 41.000 41.000 40.637 0.363 18329 159 1 . 1 1 29 29 ASP H H 52 8.340 8.340 7.878 0.462 18329 160 1 . 1 1 30 30 ALA N N 53 121.990 121.990 121.666 0.324 18329 161 1 . 1 1 30 30 ALA HA H 53 3.340 3.340 4.003 -0.663 18329 162 1 . 1 1 30 30 ALA C C 53 179.500 179.500 179.216 0.284 18329 163 1 . 1 1 30 30 ALA CA C 53 55.100 55.100 54.687 0.414 18329 164 1 . 1 1 30 30 ALA CB C 53 18.100 18.100 18.405 -0.305 18329 165 1 . 1 1 30 30 ALA H H 53 8.800 8.800 8.116 0.684 18329 166 1 . 1 1 31 31 ALA N N 54 119.970 119.970 120.596 -0.626 18329 167 1 . 1 1 31 31 ALA HA H 54 4.150 4.150 4.061 0.089 18329 168 1 . 1 1 31 31 ALA C C 54 181.600 181.600 178.784 2.816 18329 169 1 . 1 1 31 31 ALA CA C 54 54.700 54.700 54.201 0.499 18329 170 1 . 1 1 31 31 ALA CB C 54 17.800 17.800 18.370 -0.570 18329 171 1 . 1 1 31 31 ALA H H 54 7.730 7.730 7.468 0.262 18329 172 1 . 1 1 32 32 LEU N N 55 119.660 119.660 117.412 2.248 18329 173 1 . 1 1 32 32 LEU HA H 55 4.140 4.140 4.038 0.102 18329 174 1 . 1 1 32 32 LEU C C 55 179.100 179.100 177.444 1.656 18329 175 1 . 1 1 32 32 LEU CA C 55 57.000 57.000 56.475 0.525 18329 176 1 . 1 1 32 32 LEU CB C 55 41.900 41.900 41.759 0.141 18329 177 1 . 1 1 32 32 LEU H H 55 7.660 7.660 7.447 0.213 18329 178 1 . 1 1 33 33 LYS N N 56 117.160 117.160 116.803 0.357 18329 179 1 . 1 1 33 33 LYS HA H 56 4.210 4.210 4.357 -0.147 18329 180 1 . 1 1 33 33 LYS C C 56 176.600 176.600 176.361 0.239 18329 181 1 . 1 1 33 33 LYS CA C 56 56.100 56.100 55.382 0.718 18329 182 1 . 1 1 33 33 LYS CB C 56 33.200 33.200 33.343 -0.143 18329 183 1 . 1 1 33 33 LYS H H 56 7.610 7.610 7.491 0.119 18329 184 1 . 1 1 34 34 GLY N N 57 108.680 108.680 110.607 -1.927 18329 185 1 . 1 1 34 34 GLY C C 57 174.400 174.400 173.983 0.417 18329 186 1 . 1 1 34 34 GLY CA C 57 46.200 46.200 45.242 0.958 18329 187 1 . 1 1 34 34 GLY H H 57 7.710 7.710 8.415 -0.705 18329 188 1 . 1 1 35 35 VAL N N 58 121.000 121.000 121.993 -0.993 18329 189 1 . 1 1 35 35 VAL HA H 58 3.900 3.900 4.105 -0.205 18329 190 1 . 1 1 35 35 VAL C C 58 174.200 174.200 175.514 -1.314 18329 191 1 . 1 1 35 35 VAL CA C 58 61.500 61.500 61.064 0.436 18329 192 1 . 1 1 35 35 VAL CB C 58 32.800 32.800 33.296 -0.496 18329 193 1 . 1 1 35 35 VAL H H 58 7.990 7.990 7.724 0.266 18329 194 1 . 1 1 36 36 ASN N N 59 124.960 124.960 123.206 1.754 18329 195 1 . 1 1 36 36 ASN HA H 59 4.670 4.670 4.649 0.021 18329 196 1 . 1 1 36 36 ASN C C 59 175.700 175.700 175.082 0.618 18329 197 1 . 1 1 36 36 ASN CA C 59 51.600 51.600 53.583 -1.983 18329 198 1 . 1 1 36 36 ASN CB C 59 39.100 39.100 38.192 0.908 18329 199 1 . 1 1 36 36 ASN H H 59 8.460 8.460 8.479 -0.019 18329 200 1 . 1 1 37 37 PHE N N 60 124.460 124.460 120.972 3.488 18329 201 1 . 1 1 37 37 PHE HA H 60 4.140 4.140 4.270 -0.130 18329 202 1 . 1 1 37 37 PHE C C 60 177.000 177.000 175.112 1.888 18329 203 1 . 1 1 37 37 PHE CA C 60 60.400 60.400 59.909 0.491 18329 204 1 . 1 1 37 37 PHE CB C 60 39.200 39.200 39.532 -0.332 18329 205 1 . 1 1 37 37 PHE H H 60 8.780 8.780 8.215 0.565 18329 206 1 . 1 1 38 38 ASP N N 61 119.270 119.270 118.702 0.568 18329 207 1 . 1 1 38 38 ASP HA H 61 4.490 4.490 4.482 0.008 18329 208 1 . 1 1 38 38 ASP C C 61 177.000 177.000 175.410 1.589 18329 209 1 . 1 1 38 38 ASP CA C 61 55.500 55.500 54.632 0.868 18329 210 1 . 1 1 38 38 ASP CB C 61 40.000 40.000 40.347 -0.347 18329 211 1 . 1 1 38 38 ASP H H 61 8.400 8.400 8.129 0.271 18329 212 1 . 1 1 39 39 ALA N N 62 122.020 122.020 122.995 -0.975 18329 213 1 . 1 1 39 39 ALA HA H 62 4.200 4.200 4.185 0.015 18329 214 1 . 1 1 39 39 ALA C C 62 178.300 178.300 176.636 1.664 18329 215 1 . 1 1 39 39 ALA CA C 62 52.900 52.900 52.546 0.354 18329 216 1 . 1 1 39 39 ALA CB C 62 18.500 18.500 18.551 -0.051 18329 217 1 . 1 1 39 39 ALA H H 62 7.740 7.740 7.823 -0.083 18329 218 1 . 1 1 40 40 PHE N N 63 116.940 116.940 119.392 -2.452 18329 219 1 . 1 1 40 40 PHE HA H 63 4.380 4.380 4.343 0.037 18329 220 1 . 1 1 40 40 PHE C C 63 176.100 176.100 175.455 0.645 18329 221 1 . 1 1 40 40 PHE CA C 63 58.300 58.300 58.096 0.203 18329 222 1 . 1 1 40 40 PHE CB C 63 38.800 38.800 39.078 -0.278 18329 223 1 . 1 1 40 40 PHE H H 63 7.730 7.730 8.029 -0.299 18329 224 1 . 1 1 41 41 LYS N N 64 119.840 119.840 122.794 -2.954 18329 225 1 . 1 1 41 41 LYS HA H 64 4.220 4.220 4.312 -0.092 18329 226 1 . 1 1 41 41 LYS C C 64 176.100 176.100 176.047 0.053 18329 227 1 . 1 1 41 41 LYS CA C 64 56.600 56.600 56.680 -0.081 18329 228 1 . 1 1 41 41 LYS CB C 64 32.900 32.900 33.227 -0.327 18329 229 1 . 1 1 41 41 LYS H H 64 7.650 7.650 8.002 -0.352 18329 230 1 . 1 1 42 42 ASP N N 65 120.770 120.770 119.092 1.678 18329 231 1 . 1 1 42 42 ASP HA H 65 4.570 4.570 4.489 0.081 18329 232 1 . 1 1 42 42 ASP C C 65 176.100 176.100 175.635 0.466 18329 233 1 . 1 1 42 42 ASP CA C 65 54.200 54.200 55.018 -0.818 18329 234 1 . 1 1 42 42 ASP CB C 65 40.900 40.900 41.186 -0.286 18329 235 1 . 1 1 42 42 ASP H H 65 8.030 8.030 8.342 -0.312 18329 236 1 . 1 1 43 43 LYS N N 66 122.070 122.070 120.580 1.490 18329 237 1 . 1 1 43 43 LYS HA H 66 4.280 4.280 4.246 0.034 18329 238 1 . 1 1 43 43 LYS C C 66 176.800 176.800 176.274 0.526 18329 239 1 . 1 1 43 43 LYS CA C 66 56.500 56.500 56.648 -0.148 18329 240 1 . 1 1 43 43 LYS CB C 66 32.800 32.800 33.045 -0.245 18329 241 1 . 1 1 43 43 LYS H H 66 8.180 8.180 8.141 0.039 18329 242 1 . 1 1 44 44 LYS N N 67 122.170 122.170 122.605 -0.435 18329 243 1 . 1 1 44 44 LYS HA H 67 4.350 4.350 4.347 0.003 18329 244 1 . 1 1 44 44 LYS C C 67 177.000 177.000 176.504 0.496 18329 245 1 . 1 1 44 44 LYS CA C 67 56.600 56.600 56.442 0.158 18329 246 1 . 1 1 44 44 LYS CB C 67 32.800 32.800 32.966 -0.166 18329 247 1 . 1 1 44 44 LYS H H 67 8.460 8.460 8.266 0.194 18329 248 1 . 1 1 45 45 THR N N 68 114.390 114.390 116.316 -1.925 18329 249 1 . 1 1 45 45 THR HA H 68 4.330 4.330 4.354 -0.024 18329 250 1 . 1 1 45 45 THR C C 68 175.200 175.200 174.714 0.486 18329 251 1 . 1 1 45 45 THR CA C 68 62.000 62.000 62.341 -0.340 18329 252 1 . 1 1 45 45 THR CB C 68 69.900 69.900 69.553 0.347 18329 253 1 . 1 1 45 45 THR H H 68 8.120 8.120 8.179 -0.059 18329 254 1 . 1 1 46 46 GLY N N 69 111.200 111.200 112.158 -0.958 18329 255 1 . 1 1 46 46 GLY CA C 69 45.200 45.200 45.029 0.171 18329 256 1 . 1 1 46 46 GLY H H 69 8.450 8.450 8.224 0.226 18329 257 1 . 1 1 47 47 SER CA C 70 58.400 58.400 58.065 0.335 18329 258 1 . 1 1 47 47 SER CB C 70 64.000 64.000 63.901 0.099 18329 259 1 . 1 1 48 48 GLY N N 71 111.200 111.200 110.209 0.991 18329 260 1 . 1 1 48 48 GLY CA C 71 45.000 45.000 46.012 -1.012 18329 261 1 . 1 1 48 48 GLY H H 71 8.580 8.580 8.682 -0.102 18329 262 1 . 1 1 49 49 VAL N N 72 118.910 118.910 119.082 -0.172 18329 263 1 . 1 1 49 49 VAL HA H 72 4.130 4.130 4.054 0.076 18329 264 1 . 1 1 49 49 VAL C C 72 176.100 176.100 175.934 0.166 18329 265 1 . 1 1 49 49 VAL CA C 72 62.100 62.100 62.533 -0.433 18329 266 1 . 1 1 49 49 VAL CB C 72 32.500 32.500 32.175 0.326 18329 267 1 . 1 1 49 49 VAL H H 72 7.860 7.860 7.755 0.105 18329 268 1 . 1 1 50 50 SER N N 73 118.500 118.500 118.589 -0.089 18329 269 1 . 1 1 50 50 SER C C 73 176.100 176.100 174.525 1.575 18329 270 1 . 1 1 50 50 SER CA C 73 58.300 58.300 59.834 -1.534 18329 271 1 . 1 1 50 50 SER CB C 73 63.800 63.800 62.963 0.837 18329 272 1 . 1 1 50 50 SER H H 73 8.300 8.300 8.481 -0.181 18329 273 1 . 1 1 51 51 GLU N N 74 122.560 122.560 122.124 0.436 18329 274 1 . 1 1 51 51 GLU HA H 74 4.270 4.270 4.270 0.000 18329 275 1 . 1 1 51 51 GLU CA C 74 55.700 55.700 56.544 -0.844 18329 276 1 . 1 1 51 51 GLU CB C 74 30.500 30.500 30.316 0.184 18329 277 1 . 1 1 51 51 GLU H H 74 8.360 8.360 8.334 0.026 18329 278 1 . 1 1 52 52 ASN N N 75 122.830 122.830 118.828 4.002 18329 279 1 . 1 1 52 52 ASN HA H 75 4.820 4.820 4.784 0.037 18329 280 1 . 1 1 52 52 ASN C C 75 174.800 174.800 174.005 0.794 18329 281 1 . 1 1 52 52 ASN CA C 75 51.400 51.400 52.465 -1.065 18329 282 1 . 1 1 52 52 ASN CB C 75 39.200 39.200 38.264 0.936 18329 283 1 . 1 1 52 52 ASN H H 75 8.450 8.450 8.106 0.344 18329 284 1 . 1 1 53 53 PRO HA H 76 4.180 4.180 4.408 -0.228 18329 285 1 . 1 1 53 53 PRO CA C 76 65.200 65.200 64.187 1.013 18329 286 1 . 1 1 53 53 PRO CB C 76 32.000 32.000 31.829 0.171 18329 287 1 . 1 1 54 54 PHE N N 77 118.060 118.060 119.925 -1.865 18329 288 1 . 1 1 54 54 PHE HA H 77 4.270 4.270 4.264 0.007 18329 289 1 . 1 1 54 54 PHE C C 77 177.500 177.500 177.141 0.359 18329 290 1 . 1 1 54 54 PHE CA C 77 61.500 61.500 61.698 -0.198 18329 291 1 . 1 1 54 54 PHE CB C 77 39.400 39.400 39.288 0.112 18329 292 1 . 1 1 54 54 PHE H H 77 8.430 8.430 8.026 0.404 18329 293 1 . 1 1 55 55 ILE N N 78 119.350 119.350 118.733 0.617 18329 294 1 . 1 1 55 55 ILE HA H 78 3.500 3.500 3.744 -0.244 18329 295 1 . 1 1 55 55 ILE C C 78 177.400 177.400 177.355 0.045 18329 296 1 . 1 1 55 55 ILE CA C 78 63.500 63.500 64.239 -0.739 18329 297 1 . 1 1 55 55 ILE CB C 78 37.000 37.000 37.739 -0.738 18329 298 1 . 1 1 55 55 ILE H H 78 7.540 7.540 7.836 -0.296 18329 299 1 . 1 1 56 56 LEU N N 79 118.450 118.450 119.734 -1.283 18329 300 1 . 1 1 56 56 LEU HA H 79 4.150 4.150 3.982 0.168 18329 301 1 . 1 1 56 56 LEU C C 79 179.200 179.200 179.105 0.095 18329 302 1 . 1 1 56 56 LEU CA C 79 57.800 57.800 58.076 -0.277 18329 303 1 . 1 1 56 56 LEU CB C 79 41.100 41.100 41.426 -0.326 18329 304 1 . 1 1 56 56 LEU H H 79 7.260 7.260 7.627 -0.367 18329 305 1 . 1 1 57 57 GLU N N 80 117.980 117.980 118.026 -0.046 18329 306 1 . 1 1 57 57 GLU HA H 80 3.650 3.650 3.900 -0.249 18329 307 1 . 1 1 57 57 GLU C C 80 178.700 178.700 178.765 -0.065 18329 308 1 . 1 1 57 57 GLU CA C 80 59.300 59.300 58.991 0.309 18329 309 1 . 1 1 57 57 GLU CB C 80 29.500 29.500 29.263 0.237 18329 310 1 . 1 1 57 57 GLU H H 80 7.890 7.890 7.954 -0.064 18329 311 1 . 1 1 58 58 ALA N N 81 122.040 122.040 121.989 0.051 18329 312 1 . 1 1 58 58 ALA HA H 81 3.800 3.800 4.007 -0.207 18329 313 1 . 1 1 58 58 ALA C C 81 179.500 179.500 178.963 0.537 18329 314 1 . 1 1 58 58 ALA CA C 81 55.200 55.200 54.845 0.355 18329 315 1 . 1 1 58 58 ALA CB C 81 18.800 18.800 18.209 0.591 18329 316 1 . 1 1 58 58 ALA H H 81 8.400 8.400 7.709 0.691 18329 317 1 . 1 1 59 59 LYS N N 82 116.000 116.000 118.055 -2.055 18329 318 1 . 1 1 59 59 LYS HA H 82 3.850 3.850 4.066 -0.216 18329 319 1 . 1 1 59 59 LYS C C 82 180.300 180.300 178.538 1.762 18329 320 1 . 1 1 59 59 LYS CA C 82 61.100 61.100 59.126 1.974 18329 321 1 . 1 1 59 59 LYS CB C 82 32.200 32.200 32.361 -0.160 18329 322 1 . 1 1 59 59 LYS H H 82 8.000 8.000 7.716 0.284 18329 323 1 . 1 1 60 60 VAL N N 83 122.920 122.920 118.321 4.599 18329 324 1 . 1 1 60 60 VAL HA H 83 3.330 3.330 3.707 -0.377 18329 325 1 . 1 1 60 60 VAL C C 83 178.300 178.300 178.231 0.069 18329 326 1 . 1 1 60 60 VAL CA C 83 67.900 67.900 65.667 2.233 18329 327 1 . 1 1 60 60 VAL CB C 83 31.200 31.200 31.462 -0.261 18329 328 1 . 1 1 60 60 VAL H H 83 8.110 8.110 7.399 0.711 18329 329 1 . 1 1 61 61 ARG N N 84 121.770 121.770 119.756 2.014 18329 330 1 . 1 1 61 61 ARG C C 84 179.500 179.500 178.483 1.017 18329 331 1 . 1 1 61 61 ARG CA C 84 59.200 59.200 59.113 0.087 18329 332 1 . 1 1 61 61 ARG CB C 84 30.800 30.800 29.774 1.026 18329 333 1 . 1 1 61 61 ARG H H 84 8.710 8.710 7.511 1.199 18329 334 1 . 1 1 62 62 ALA N N 85 119.450 119.450 120.909 -1.459 18329 335 1 . 1 1 62 62 ALA HA H 85 3.890 3.890 4.116 -0.226 18329 336 1 . 1 1 62 62 ALA C C 85 179.500 179.500 178.950 0.550 18329 337 1 . 1 1 62 62 ALA CA C 85 55.000 55.000 55.259 -0.259 18329 338 1 . 1 1 62 62 ALA CB C 85 19.000 19.000 18.463 0.537 18329 339 1 . 1 1 62 62 ALA H H 85 8.700 8.700 7.808 0.892 18329 340 1 . 1 1 63 63 THR N N 86 106.650 106.650 110.367 -3.718 18329 341 1 . 1 1 63 63 THR HA H 86 3.970 3.970 4.114 -0.144 18329 342 1 . 1 1 63 63 THR C C 86 177.700 177.700 176.652 1.048 18329 343 1 . 1 1 63 63 THR CA C 86 66.000 66.000 65.499 0.501 18329 344 1 . 1 1 63 63 THR CB C 86 68.200 68.200 68.505 -0.305 18329 345 1 . 1 1 63 63 THR H H 86 8.150 8.150 7.724 0.426 18329 346 1 . 1 1 64 64 THR N N 87 120.430 120.430 119.826 0.604 18329 347 1 . 1 1 64 64 THR HA H 87 4.050 4.050 4.074 -0.024 18329 348 1 . 1 1 64 64 THR C C 87 176.800 176.800 176.337 0.463 18329 349 1 . 1 1 64 64 THR CA C 87 67.300 67.300 67.319 -0.019 18329 350 1 . 1 1 64 64 THR CB C 87 68.600 68.600 68.538 0.062 18329 351 1 . 1 1 64 64 THR H H 87 7.920 7.920 7.618 0.302 18329 352 1 . 1 1 65 65 VAL N N 88 119.230 119.230 120.430 -1.200 18329 353 1 . 1 1 65 65 VAL HA H 88 3.980 3.980 3.777 0.203 18329 354 1 . 1 1 65 65 VAL C C 88 178.500 178.500 177.410 1.090 18329 355 1 . 1 1 65 65 VAL CA C 88 65.600 65.600 65.809 -0.209 18329 356 1 . 1 1 65 65 VAL CB C 88 31.700 31.700 31.282 0.418 18329 357 1 . 1 1 65 65 VAL H H 88 7.380 7.380 7.445 -0.065 18329 358 1 . 1 1 66 66 ALA N N 89 124.260 124.260 121.685 2.575 18329 359 1 . 1 1 66 66 ALA HA H 89 4.250 4.250 3.954 0.296 18329 360 1 . 1 1 66 66 ALA C C 89 179.900 179.900 179.232 0.668 18329 361 1 . 1 1 66 66 ALA CA C 89 54.900 54.900 55.318 -0.418 18329 362 1 . 1 1 66 66 ALA CB C 89 19.500 19.500 18.081 1.419 18329 363 1 . 1 1 66 66 ALA H H 89 8.390 8.390 7.698 0.692 18329 364 1 . 1 1 67 67 GLU N N 90 120.180 120.180 118.210 1.971 18329 365 1 . 1 1 67 67 GLU HA H 90 3.720 3.720 3.976 -0.256 18329 366 1 . 1 1 67 67 GLU C C 90 177.600 177.600 178.837 -1.237 18329 367 1 . 1 1 67 67 GLU CA C 90 59.900 59.900 59.592 0.308 18329 368 1 . 1 1 67 67 GLU CB C 90 28.300 28.300 29.328 -1.028 18329 369 1 . 1 1 67 67 GLU H H 90 8.520 8.520 8.227 0.293 18329 370 1 . 1 1 68 68 LYS N N 91 116.340 116.340 118.445 -2.105 18329 371 1 . 1 1 68 68 LYS HA H 91 3.960 3.960 4.015 -0.055 18329 372 1 . 1 1 68 68 LYS C C 91 179.200 179.200 179.013 0.187 18329 373 1 . 1 1 68 68 LYS CA C 91 59.800 59.800 58.934 0.865 18329 374 1 . 1 1 68 68 LYS CB C 91 32.000 32.000 32.158 -0.158 18329 375 1 . 1 1 68 68 LYS H H 91 7.210 7.210 7.520 -0.310 18329 376 1 . 1 1 69 69 PHE N N 92 120.990 120.990 120.264 0.726 18329 377 1 . 1 1 69 69 PHE HA H 92 4.510 4.510 4.211 0.299 18329 378 1 . 1 1 69 69 PHE C C 92 175.100 175.100 177.148 -2.048 18329 379 1 . 1 1 69 69 PHE CA C 92 59.800 59.800 61.159 -1.359 18329 380 1 . 1 1 69 69 PHE CB C 92 39.200 39.200 39.151 0.049 18329 381 1 . 1 1 69 69 PHE H H 92 7.180 7.180 7.747 -0.567 18329 382 1 . 1 1 70 70 VAL N N 93 120.330 120.330 118.768 1.562 18329 383 1 . 1 1 70 70 VAL HA H 93 3.090 3.090 3.532 -0.442 18329 384 1 . 1 1 70 70 VAL C C 93 177.500 177.500 177.874 -0.374 18329 385 1 . 1 1 70 70 VAL CA C 93 66.900 66.900 66.514 0.386 18329 386 1 . 1 1 70 70 VAL CB C 93 31.400 31.400 31.230 0.170 18329 387 1 . 1 1 70 70 VAL H H 93 7.930 7.930 7.615 0.315 18329 388 1 . 1 1 71 71 ILE N N 94 120.410 120.410 118.962 1.448 18329 389 1 . 1 1 71 71 ILE HA H 94 3.830 3.830 3.665 0.165 18329 390 1 . 1 1 71 71 ILE C C 94 177.700 177.700 177.763 -0.063 18329 391 1 . 1 1 71 71 ILE CA C 94 65.000 65.000 64.943 0.057 18329 392 1 . 1 1 71 71 ILE CB C 94 37.300 37.300 37.191 0.109 18329 393 1 . 1 1 71 71 ILE H H 94 8.180 8.180 7.485 0.695 18329 394 1 . 1 1 72 72 ALA N N 95 122.440 122.440 122.512 -0.072 18329 395 1 . 1 1 72 72 ALA HA H 95 3.960 3.960 3.917 0.043 18329 396 1 . 1 1 72 72 ALA C C 95 179.600 179.600 179.449 0.151 18329 397 1 . 1 1 72 72 ALA CA C 95 55.900 55.900 55.088 0.812 18329 398 1 . 1 1 72 72 ALA CB C 95 17.200 17.200 17.826 -0.626 18329 399 1 . 1 1 72 72 ALA H H 95 7.340 7.340 7.534 -0.194 18329 400 1 . 1 1 73 73 ILE N N 96 119.330 119.330 118.775 0.555 18329 401 1 . 1 1 73 73 ILE HA H 96 3.440 3.440 3.621 -0.181 18329 402 1 . 1 1 73 73 ILE C C 96 177.400 177.400 177.887 -0.487 18329 403 1 . 1 1 73 73 ILE CA C 96 62.800 62.800 63.579 -0.779 18329 404 1 . 1 1 73 73 ILE CB C 96 34.400 34.400 36.754 -2.354 18329 405 1 . 1 1 73 73 ILE H H 96 7.820 7.820 7.399 0.421 18329 406 1 . 1 1 74 74 GLU N N 97 118.440 118.440 120.652 -2.212 18329 407 1 . 1 1 74 74 GLU HA H 97 3.690 3.690 3.848 -0.158 18329 408 1 . 1 1 74 74 GLU C C 97 180.500 180.500 178.881 1.619 18329 409 1 . 1 1 74 74 GLU CA C 97 59.700 59.700 59.838 -0.138 18329 410 1 . 1 1 74 74 GLU CB C 97 29.700 29.700 29.386 0.314 18329 411 1 . 1 1 74 74 GLU H H 97 8.380 8.380 7.709 0.671 18329 412 1 . 1 1 75 75 GLU N N 98 120.470 120.470 118.968 1.502 18329 413 1 . 1 1 75 75 GLU HA H 98 3.940 3.940 4.038 -0.099 18329 414 1 . 1 1 75 75 GLU C C 98 180.600 180.600 179.041 1.559 18329 415 1 . 1 1 75 75 GLU CA C 98 59.700 59.700 59.064 0.636 18329 416 1 . 1 1 75 75 GLU CB C 98 30.200 30.200 29.497 0.704 18329 417 1 . 1 1 75 75 GLU H H 98 8.800 8.800 8.015 0.785 18329 418 1 . 1 1 76 76 GLU N N 99 119.230 119.230 119.410 -0.179 18329 419 1 . 1 1 76 76 GLU HA H 99 4.140 4.140 4.056 0.084 18329 420 1 . 1 1 76 76 GLU C C 99 178.900 178.900 178.793 0.107 18329 421 1 . 1 1 76 76 GLU CA C 99 58.600 58.600 58.863 -0.263 18329 422 1 . 1 1 76 76 GLU CB C 99 29.300 29.300 29.326 -0.027 18329 423 1 . 1 1 76 76 GLU H H 99 8.840 8.840 8.168 0.672 18329 424 1 . 1 1 77 77 ALA N N 100 121.950 121.950 121.501 0.449 18329 425 1 . 1 1 77 77 ALA HA H 100 4.000 4.000 4.179 -0.179 18329 426 1 . 1 1 77 77 ALA C C 100 179.000 179.000 179.534 -0.534 18329 427 1 . 1 1 77 77 ALA CA C 100 56.300 56.300 55.317 0.983 18329 428 1 . 1 1 77 77 ALA CB C 100 16.800 16.800 18.240 -1.440 18329 429 1 . 1 1 77 77 ALA H H 100 9.400 9.400 8.095 1.305 18329 430 1 . 1 1 78 78 THR N N 101 111.820 111.820 113.899 -2.079 18329 431 1 . 1 1 78 78 THR HA H 101 3.750 3.750 4.015 -0.265 18329 432 1 . 1 1 78 78 THR CA C 101 67.500 67.500 66.024 1.476 18329 433 1 . 1 1 78 78 THR CB C 101 68.600 68.600 68.581 0.019 18329 434 1 . 1 1 78 78 THR H H 101 7.770 7.770 7.653 0.118 18329 435 1 . 1 1 79 79 LYS N N 102 122.940 122.940 120.049 2.891 18329 436 1 . 1 1 79 79 LYS HA H 102 4.090 4.090 4.163 -0.073 18329 437 1 . 1 1 79 79 LYS CA C 102 59.200 59.200 58.411 0.790 18329 438 1 . 1 1 79 79 LYS CB C 102 32.500 32.500 32.319 0.181 18329 439 1 . 1 1 79 79 LYS H H 102 7.870 7.870 7.650 0.220 18329 440 1 . 1 1 80 80 LEU N N 103 117.690 117.690 118.175 -0.485 18329 441 1 . 1 1 80 80 LEU HA H 103 4.490 4.490 4.347 0.144 18329 442 1 . 1 1 80 80 LEU C C 103 178.140 178.140 177.093 1.047 18329 443 1 . 1 1 80 80 LEU CA C 103 54.000 54.000 54.988 -0.988 18329 444 1 . 1 1 80 80 LEU CB C 103 43.100 43.100 42.092 1.008 18329 445 1 . 1 1 80 80 LEU H H 103 7.550 7.550 7.778 -0.228 18329 446 1 . 1 1 81 81 LYS N N 104 122.210 122.210 118.989 3.222 18329 447 1 . 1 1 81 81 LYS HA H 104 3.930 3.930 4.024 -0.094 18329 448 1 . 1 1 81 81 LYS C C 104 178.000 178.000 176.695 1.305 18329 449 1 . 1 1 81 81 LYS CA C 104 61.300 61.300 58.170 3.130 18329 450 1 . 1 1 81 81 LYS CB C 104 32.800 32.800 31.711 1.089 18329 451 1 . 1 1 81 81 LYS H H 104 7.500 7.500 7.672 -0.172 18329 452 1 . 1 1 82 82 GLU N N 105 114.920 114.920 120.014 -5.094 18329 453 1 . 1 1 82 82 GLU HA H 105 4.560 4.560 4.253 0.307 18329 454 1 . 1 1 82 82 GLU C C 105 177.900 177.900 176.983 0.917 18329 455 1 . 1 1 82 82 GLU CA C 105 57.660 57.660 57.328 0.332 18329 456 1 . 1 1 82 82 GLU CB C 105 30.400 30.400 29.522 0.878 18329 457 1 . 1 1 82 82 GLU H H 105 8.780 8.780 8.462 0.318 18329 458 1 . 1 1 83 83 THR N N 106 107.260 107.260 112.698 -5.438 18329 459 1 . 1 1 83 83 THR HA H 106 4.550 4.550 4.152 0.398 18329 460 1 . 1 1 83 83 THR C C 106 176.300 176.300 175.295 1.005 18329 461 1 . 1 1 83 83 THR CA C 106 61.900 61.900 63.444 -1.543 18329 462 1 . 1 1 83 83 THR CB C 106 70.400 70.400 68.889 1.511 18329 463 1 . 1 1 83 83 THR H H 106 7.570 7.570 8.308 -0.738 18329 464 1 . 1 1 84 84 GLY N N 107 112.110 112.110 109.642 2.468 18329 465 1 . 1 1 84 84 GLY C C 107 172.800 172.800 173.928 -1.128 18329 466 1 . 1 1 84 84 GLY CA C 107 45.400 45.400 45.259 0.141 18329 467 1 . 1 1 84 84 GLY H H 107 9.000 9.000 8.174 0.826 18329 468 1 . 1 1 85 85 SER N N 108 119.030 119.030 114.684 4.346 18329 469 1 . 1 1 85 85 SER CA C 108 56.300 56.300 58.363 -2.063 18329 470 1 . 1 1 85 85 SER CB C 108 66.300 66.300 63.706 2.593 18329 471 1 . 1 1 85 85 SER H H 108 8.950 8.950 8.346 0.604 18329 472 1 . 1 1 86 86 SER HA H 109 4.480 4.480 4.554 -0.074 18329 473 1 . 1 1 86 86 SER C C 109 177.000 177.000 176.489 0.511 18329 474 1 . 1 1 86 86 SER CA C 109 61.600 61.600 59.956 1.645 18329 475 1 . 1 1 86 86 SER CB C 109 62.900 62.900 63.138 -0.238 18329 476 1 . 1 1 87 87 GLY N N 110 108.100 108.100 109.938 -1.838 18329 477 1 . 1 1 87 87 GLY C C 110 177.100 177.100 175.849 1.251 18329 478 1 . 1 1 87 87 GLY CA C 110 46.200 46.200 46.756 -0.556 18329 479 1 . 1 1 87 87 GLY H H 110 8.480 8.480 8.408 0.072 18329 480 1 . 1 1 88 88 GLU N N 111 123.040 123.040 121.986 1.054 18329 481 1 . 1 1 88 88 GLU HA H 111 3.690 3.690 4.036 -0.346 18329 482 1 . 1 1 88 88 GLU C C 111 177.700 177.700 178.759 -1.059 18329 483 1 . 1 1 88 88 GLU CA C 111 59.500 59.500 58.728 0.772 18329 484 1 . 1 1 88 88 GLU CB C 111 28.700 28.700 29.165 -0.465 18329 485 1 . 1 1 88 88 GLU H H 111 7.560 7.560 8.006 -0.446 18329 486 1 . 1 1 89 89 PHE N N 112 118.270 118.270 118.309 -0.039 18329 487 1 . 1 1 89 89 PHE HA H 112 4.420 4.420 4.348 0.072 18329 488 1 . 1 1 89 89 PHE C C 112 178.600 178.600 177.962 0.637 18329 489 1 . 1 1 89 89 PHE CA C 112 61.100 61.100 61.009 0.091 18329 490 1 . 1 1 89 89 PHE CB C 112 37.900 37.900 38.604 -0.704 18329 491 1 . 1 1 89 89 PHE H H 112 7.200 7.200 7.638 -0.438 18329 492 1 . 1 1 90 90 SER N N 113 115.980 115.980 115.608 0.372 18329 493 1 . 1 1 90 90 SER HA H 113 4.290 4.290 4.143 0.147 18329 494 1 . 1 1 90 90 SER C C 113 178.600 178.600 176.340 2.260 18329 495 1 . 1 1 90 90 SER CA C 113 62.700 62.700 62.007 0.693 18329 496 1 . 1 1 90 90 SER CB C 113 62.800 62.800 62.749 0.051 18329 497 1 . 1 1 90 90 SER H H 113 8.830 8.830 8.233 0.597 18329 498 1 . 1 1 91 91 ALA N N 114 123.130 123.130 123.082 0.048 18329 499 1 . 1 1 91 91 ALA HA H 114 4.380 4.380 4.197 0.183 18329 500 1 . 1 1 91 91 ALA C C 114 181.300 181.300 179.457 1.843 18329 501 1 . 1 1 91 91 ALA CA C 114 54.700 54.700 54.724 -0.024 18329 502 1 . 1 1 91 91 ALA CB C 114 18.400 18.400 18.353 0.047 18329 503 1 . 1 1 91 91 ALA H H 114 7.580 7.580 7.676 -0.096 18329 504 1 . 1 1 92 92 MET N N 115 118.700 118.700 118.337 0.363 18329 505 1 . 1 1 92 92 MET HA H 115 3.980 3.980 4.260 -0.280 18329 506 1 . 1 1 92 92 MET C C 115 178.000 178.000 178.192 -0.192 18329 507 1 . 1 1 92 92 MET CA C 115 61.000 61.000 58.004 2.996 18329 508 1 . 1 1 92 92 MET CB C 115 31.400 31.400 32.445 -1.045 18329 509 1 . 1 1 92 92 MET H H 115 7.880 7.880 7.883 -0.003 18329 510 1 . 1 1 93 93 TYR N N 116 119.200 119.200 120.258 -1.058 18329 511 1 . 1 1 93 93 TYR HA H 116 4.280 4.280 4.157 0.124 18329 512 1 . 1 1 93 93 TYR C C 116 176.300 176.300 177.519 -1.219 18329 513 1 . 1 1 93 93 TYR CA C 116 62.100 62.100 61.673 0.427 18329 514 1 . 1 1 93 93 TYR CB C 116 38.300 38.300 38.244 0.056 18329 515 1 . 1 1 93 93 TYR H H 116 7.870 7.870 8.284 -0.414 18329 516 1 . 1 1 94 94 ASP N N 117 120.210 120.210 119.585 0.624 18329 517 1 . 1 1 94 94 ASP HA H 117 4.190 4.190 4.475 -0.285 18329 518 1 . 1 1 94 94 ASP C C 117 179.000 179.000 178.559 0.441 18329 519 1 . 1 1 94 94 ASP CA C 117 57.700 57.700 57.314 0.386 18329 520 1 . 1 1 94 94 ASP CB C 117 40.000 40.000 40.492 -0.492 18329 521 1 . 1 1 94 94 ASP H H 117 8.720 8.720 8.033 0.687 18329 522 1 . 1 1 95 95 LEU N N 118 118.420 118.420 120.403 -1.983 18329 523 1 . 1 1 95 95 LEU HA H 118 4.210 4.210 4.101 0.109 18329 524 1 . 1 1 95 95 LEU C C 118 178.600 178.600 178.851 -0.251 18329 525 1 . 1 1 95 95 LEU CA C 118 57.700 57.700 57.723 -0.023 18329 526 1 . 1 1 95 95 LEU CB C 118 43.100 43.100 41.812 1.288 18329 527 1 . 1 1 95 95 LEU H H 118 7.510 7.510 7.583 -0.073 18329 528 1 . 1 1 96 96 MET N N 119 118.470 118.470 119.111 -0.641 18329 529 1 . 1 1 96 96 MET HA H 119 3.990 3.990 4.053 -0.063 18329 530 1 . 1 1 96 96 MET C C 119 177.500 177.500 178.278 -0.778 18329 531 1 . 1 1 96 96 MET CA C 119 60.500 60.500 57.885 2.615 18329 532 1 . 1 1 96 96 MET CB C 119 33.900 33.900 31.664 2.236 18329 533 1 . 1 1 96 96 MET H H 119 7.820 7.820 7.681 0.139 18329 534 1 . 1 1 97 97 PHE N N 120 119.580 119.580 119.572 0.008 18329 535 1 . 1 1 97 97 PHE HA H 120 3.810 3.810 4.088 -0.278 18329 536 1 . 1 1 97 97 PHE C C 120 178.800 178.800 177.546 1.254 18329 537 1 . 1 1 97 97 PHE CA C 120 61.800 61.800 61.643 0.156 18329 538 1 . 1 1 97 97 PHE CB C 120 39.200 39.200 38.915 0.285 18329 539 1 . 1 1 97 97 PHE H H 120 8.940 8.940 7.796 1.143 18329 540 1 . 1 1 98 98 GLU N N 121 119.940 119.940 118.837 1.103 18329 541 1 . 1 1 98 98 GLU HA H 121 3.880 3.880 4.030 -0.150 18329 542 1 . 1 1 98 98 GLU C C 121 180.800 180.800 178.848 1.952 18329 543 1 . 1 1 98 98 GLU CA C 121 59.800 59.800 59.304 0.496 18329 544 1 . 1 1 98 98 GLU CB C 121 29.200 29.200 29.501 -0.301 18329 545 1 . 1 1 98 98 GLU H H 121 8.690 8.690 8.232 0.458 18329 546 1 . 1 1 99 99 VAL N N 122 115.350 115.350 116.758 -1.408 18329 547 1 . 1 1 99 99 VAL HA H 122 3.740 3.740 3.741 -0.001 18329 548 1 . 1 1 99 99 VAL C C 122 176.500 176.500 177.120 -0.620 18329 549 1 . 1 1 99 99 VAL CA C 122 64.500 64.500 64.745 -0.245 18329 550 1 . 1 1 99 99 VAL CB C 122 31.300 31.300 31.604 -0.304 18329 551 1 . 1 1 99 99 VAL H H 122 8.210 8.210 7.884 0.326 18329 552 1 . 1 1 100 100 SER N N 123 115.450 115.450 115.428 0.022 18329 553 1 . 1 1 100 100 SER HA H 123 4.270 4.270 4.083 0.187 18329 554 1 . 1 1 100 100 SER C C 123 174.700 174.700 176.159 -1.459 18329 555 1 . 1 1 100 100 SER CA C 123 62.000 62.000 61.065 0.935 18329 556 1 . 1 1 100 100 SER H H 123 7.520 7.520 7.768 -0.248 18329 557 1 . 1 1 101 101 LYS N N 124 120.310 120.310 121.710 -1.400 18329 558 1 . 1 1 101 101 LYS HA H 124 3.970 3.970 4.124 -0.154 18329 559 1 . 1 1 101 101 LYS C C 124 176.600 176.600 176.425 0.175 18329 560 1 . 1 1 101 101 LYS CA C 124 61.100 61.100 60.217 0.883 18329 561 1 . 1 1 101 101 LYS CB C 124 28.500 28.500 30.294 -1.794 18329 562 1 . 1 1 101 101 LYS H H 124 6.930 6.930 7.407 -0.477 18329 563 1 . 1 1 102 102 PRO HA H 125 4.260 4.260 4.199 0.061 18329 564 1 . 1 1 102 102 PRO CA C 125 65.200 65.200 65.541 -0.341 18329 565 1 . 1 1 102 102 PRO CB C 125 30.600 30.600 31.193 -0.593 18329 566 1 . 1 1 103 103 LEU N N 126 116.020 116.020 117.223 -1.203 18329 567 1 . 1 1 103 103 LEU HA H 126 3.880 3.880 4.045 -0.165 18329 568 1 . 1 1 103 103 LEU C C 126 177.900 177.900 179.047 -1.147 18329 569 1 . 1 1 103 103 LEU CA C 126 57.700 57.700 57.318 0.381 18329 570 1 . 1 1 103 103 LEU CB C 126 41.800 41.800 41.152 0.648 18329 571 1 . 1 1 103 103 LEU H H 126 6.520 6.520 7.460 -0.940 18329 572 1 . 1 1 104 104 GLN N N 127 120.500 120.500 119.260 1.240 18329 573 1 . 1 1 104 104 GLN C C 127 180.600 180.600 178.012 2.588 18329 574 1 . 1 1 104 104 GLN CA C 127 58.300 58.300 58.539 -0.239 18329 575 1 . 1 1 104 104 GLN CB C 127 29.000 29.000 28.281 0.719 18329 576 1 . 1 1 104 104 GLN H H 127 8.160 8.160 7.957 0.202 18329 577 1 . 1 1 105 105 LYS N N 128 120.000 120.000 117.587 2.413 18329 578 1 . 1 1 105 105 LYS HA H 128 4.050 4.050 4.065 -0.015 18329 579 1 . 1 1 105 105 LYS C C 128 177.100 177.100 177.741 -0.641 18329 580 1 . 1 1 105 105 LYS CA C 128 58.500 58.500 58.039 0.461 18329 581 1 . 1 1 105 105 LYS CB C 128 31.400 31.400 32.177 -0.777 18329 582 1 . 1 1 105 105 LYS H H 128 7.810 7.810 7.681 0.129 18329 583 1 . 1 1 106 106 LEU N N 129 118.530 118.530 116.969 1.561 18329 584 1 . 1 1 106 106 LEU HA H 129 3.970 3.970 4.365 -0.395 18329 585 1 . 1 1 106 106 LEU C C 129 175.200 175.200 176.665 -1.465 18329 586 1 . 1 1 106 106 LEU CA C 129 54.500 54.500 55.154 -0.654 18329 587 1 . 1 1 106 106 LEU CB C 129 42.400 42.400 43.102 -0.702 18329 588 1 . 1 1 106 106 LEU H H 129 7.220 7.220 7.501 -0.281 18329 589 1 . 1 1 107 107 GLY N N 130 101.490 101.490 105.270 -3.780 18329 590 1 . 1 1 107 107 GLY C C 130 174.800 174.800 173.395 1.405 18329 591 1 . 1 1 107 107 GLY CA C 130 45.100 45.100 44.749 0.351 18329 592 1 . 1 1 107 107 GLY H H 130 7.560 7.560 7.886 -0.326 18329 593 1 . 1 1 108 108 ILE N N 131 121.340 121.340 119.649 1.691 18329 594 1 . 1 1 108 108 ILE HA H 131 4.150 4.150 3.801 0.349 18329 595 1 . 1 1 108 108 ILE C C 131 174.300 174.300 175.072 -0.772 18329 596 1 . 1 1 108 108 ILE CA C 131 60.400 60.400 62.072 -1.672 18329 597 1 . 1 1 108 108 ILE CB C 131 35.200 35.200 37.487 -2.287 18329 598 1 . 1 1 108 108 ILE H H 131 7.290 7.290 8.044 -0.754 18329 599 1 . 1 1 109 109 GLN N N 132 125.650 125.650 122.234 3.416 18329 600 1 . 1 1 109 109 GLN HA H 132 4.010 4.010 4.290 -0.280 18329 601 1 . 1 1 109 109 GLN C C 132 176.800 176.800 175.542 1.258 18329 602 1 . 1 1 109 109 GLN CA C 132 57.600 57.600 55.926 1.674 18329 603 1 . 1 1 109 109 GLN CB C 132 29.000 29.000 30.096 -1.096 18329 604 1 . 1 1 109 109 GLN H H 132 8.080 8.080 8.248 -0.168 18329 605 1 . 1 1 110 110 GLU N N 133 114.890 114.890 119.294 -4.404 18329 606 1 . 1 1 110 110 GLU HA H 133 4.150 4.150 4.070 0.080 18329 607 1 . 1 1 110 110 GLU C C 133 177.100 177.100 176.931 0.169 18329 608 1 . 1 1 110 110 GLU CA C 133 57.100 57.100 57.461 -0.361 18329 609 1 . 1 1 110 110 GLU CB C 133 27.300 27.300 28.833 -1.532 18329 610 1 . 1 1 110 110 GLU H H 133 9.270 9.270 8.773 0.497 18329 611 1 . 1 1 111 111 MET N N 134 121.210 121.210 118.949 2.262 18329 612 1 . 1 1 111 111 MET HA H 134 4.350 4.350 4.140 0.210 18329 613 1 . 1 1 111 111 MET C C 134 177.500 177.500 177.891 -0.391 18329 614 1 . 1 1 111 111 MET CA C 134 57.900 57.900 59.124 -1.224 18329 615 1 . 1 1 111 111 MET CB C 134 33.300 33.300 32.117 1.184 18329 616 1 . 1 1 111 111 MET H H 134 7.620 7.620 8.288 -0.668 18329 617 1 . 1 1 112 112 THR N N 135 113.170 113.170 112.177 0.993 18329 618 1 . 1 1 112 112 THR HA H 135 3.920 3.920 3.983 -0.063 18329 619 1 . 1 1 112 112 THR C C 135 176.400 176.400 176.459 -0.059 18329 620 1 . 1 1 112 112 THR CA C 135 65.900 65.900 65.987 -0.087 18329 621 1 . 1 1 112 112 THR CB C 135 68.200 68.200 68.277 -0.077 18329 622 1 . 1 1 112 112 THR H H 135 8.320 8.320 8.307 0.012 18329 623 1 . 1 1 113 113 LYS N N 136 123.440 123.440 121.962 1.478 18329 624 1 . 1 1 113 113 LYS HA H 136 3.930 3.930 4.169 -0.239 18329 625 1 . 1 1 113 113 LYS C C 136 177.600 177.600 178.957 -1.357 18329 626 1 . 1 1 113 113 LYS CA C 136 58.300 58.300 59.388 -1.089 18329 627 1 . 1 1 113 113 LYS CB C 136 32.000 32.000 32.061 -0.062 18329 628 1 . 1 1 113 113 LYS H H 136 8.060 8.060 7.929 0.132 18329 629 1 . 1 1 114 114 THR N N 137 114.590 114.590 116.561 -1.972 18329 630 1 . 1 1 114 114 THR HA H 137 4.000 4.000 4.024 -0.025 18329 631 1 . 1 1 114 114 THR C C 137 176.800 176.800 176.597 0.203 18329 632 1 . 1 1 114 114 THR CA C 137 67.600 67.600 66.947 0.653 18329 633 1 . 1 1 114 114 THR CB C 137 69.200 69.200 68.630 0.570 18329 634 1 . 1 1 114 114 THR H H 137 7.950 7.950 8.208 -0.258 18329 635 1 . 1 1 115 115 VAL N N 138 119.080 119.080 120.647 -1.567 18329 636 1 . 1 1 115 115 VAL HA H 138 3.820 3.820 3.743 0.077 18329 637 1 . 1 1 115 115 VAL C C 138 176.900 176.900 177.572 -0.672 18329 638 1 . 1 1 115 115 VAL CA C 138 66.800 66.800 66.044 0.756 18329 639 1 . 1 1 115 115 VAL CB C 138 32.500 32.500 31.599 0.902 18329 640 1 . 1 1 115 115 VAL H H 138 7.320 7.320 7.897 -0.577 18329 641 1 . 1 1 116 116 SER N N 139 116.630 116.630 115.481 1.149 18329 642 1 . 1 1 116 116 SER HA H 139 4.680 4.680 4.385 0.295 18329 643 1 . 1 1 116 116 SER C C 139 179.000 179.000 176.788 2.212 18329 644 1 . 1 1 116 116 SER CA C 139 61.400 61.400 61.518 -0.117 18329 645 1 . 1 1 116 116 SER CB C 139 62.800 62.800 62.983 -0.183 18329 646 1 . 1 1 116 116 SER H H 139 8.990 8.990 8.231 0.759 18329 647 1 . 1 1 117 117 ASP N N 140 124.220 124.220 122.263 1.958 18329 648 1 . 1 1 117 117 ASP HA H 140 4.360 4.360 4.461 -0.101 18329 649 1 . 1 1 117 117 ASP C C 140 179.900 179.900 177.868 2.032 18329 650 1 . 1 1 117 117 ASP CA C 140 57.300 57.300 56.792 0.508 18329 651 1 . 1 1 117 117 ASP CB C 140 39.500 39.500 40.710 -1.210 18329 652 1 . 1 1 117 117 ASP H H 140 9.480 9.480 8.447 1.033 18329 653 1 . 1 1 118 118 ALA N N 141 121.420 121.420 121.660 -0.240 18329 654 1 . 1 1 118 118 ALA HA H 141 4.280 4.280 4.132 0.148 18329 655 1 . 1 1 118 118 ALA C C 141 179.800 179.800 178.933 0.867 18329 656 1 . 1 1 118 118 ALA CA C 141 54.400 54.400 54.711 -0.311 18329 657 1 . 1 1 118 118 ALA CB C 141 19.000 19.000 18.487 0.513 18329 658 1 . 1 1 118 118 ALA H H 141 7.340 7.340 7.577 -0.237 18329 659 1 . 1 1 119 119 ALA N N 142 121.680 121.680 119.918 1.762 18329 660 1 . 1 1 119 119 ALA HA H 142 4.130 4.130 4.044 0.086 18329 661 1 . 1 1 119 119 ALA C C 142 178.800 178.800 178.961 -0.161 18329 662 1 . 1 1 119 119 ALA CA C 142 53.200 53.200 54.305 -1.105 18329 663 1 . 1 1 119 119 ALA CB C 142 18.300 18.300 18.535 -0.235 18329 664 1 . 1 1 119 119 ALA H H 142 7.890 7.890 7.614 0.276 18329 665 1 . 1 1 120 120 GLU N N 143 117.690 117.690 118.005 -0.315 18329 666 1 . 1 1 120 120 GLU HA H 143 3.940 3.940 4.126 -0.186 18329 667 1 . 1 1 120 120 GLU C C 143 178.100 178.100 177.416 0.684 18329 668 1 . 1 1 120 120 GLU CA C 143 58.700 58.700 57.931 0.769 18329 669 1 . 1 1 120 120 GLU CB C 143 29.500 29.500 29.055 0.445 18329 670 1 . 1 1 120 120 GLU H H 143 7.500 7.500 7.717 -0.217 18329 671 1 . 1 1 121 121 GLU N N 144 115.680 115.680 119.449 -3.769 18329 672 1 . 1 1 121 121 GLU HA H 144 4.160 4.160 4.195 -0.035 18329 673 1 . 1 1 121 121 GLU C C 144 176.100 176.100 176.359 -0.259 18329 674 1 . 1 1 121 121 GLU CA C 144 56.900 56.900 57.973 -1.073 18329 675 1 . 1 1 121 121 GLU CB C 144 31.100 31.100 30.482 0.618 18329 676 1 . 1 1 121 121 GLU H H 144 6.970 6.970 8.050 -1.080 18329 677 1 . 1 1 122 122 ASN N N 145 117.750 117.750 117.435 0.315 18329 678 1 . 1 1 122 122 ASN HA H 145 4.990 4.990 5.051 -0.061 18329 679 1 . 1 1 122 122 ASN C C 145 185.300 185.300 172.745 12.555 18329 680 1 . 1 1 122 122 ASN CA C 145 50.200 50.200 51.033 -0.833 18329 681 1 . 1 1 122 122 ASN CB C 145 41.100 41.100 39.098 2.002 18329 682 1 . 1 1 122 122 ASN H H 145 7.670 7.670 8.052 -0.382 18329 683 1 . 1 1 123 123 PRO HA H 146 4.630 4.630 4.536 0.094 18329 684 1 . 1 1 123 123 PRO CA C 146 61.000 61.000 62.266 -1.266 18329 685 1 . 1 1 123 123 PRO CB C 146 31.300 31.300 31.357 -0.058 18329 686 1 . 1 1 124 124 PRO HA H 147 4.440 4.440 4.287 0.153 18329 687 1 . 1 1 124 124 PRO CA C 147 62.900 62.900 63.431 -0.531 18329 688 1 . 1 1 124 124 PRO CB C 147 28.400 28.400 31.275 -2.875 18329 689 1 . 1 1 125 125 THR N N 148 106.090 106.090 113.602 -7.512 18329 690 1 . 1 1 125 125 THR HA H 148 4.530 4.530 4.347 0.183 18329 691 1 . 1 1 125 125 THR C C 148 174.300 174.300 173.932 0.368 18329 692 1 . 1 1 125 125 THR CA C 148 61.200 61.200 62.366 -1.166 18329 693 1 . 1 1 125 125 THR CB C 148 68.600 68.600 69.414 -0.815 18329 694 1 . 1 1 125 125 THR H H 148 7.800 7.800 8.186 -0.386 18329 695 1 . 1 1 126 126 THR N N 149 108.650 108.650 112.614 -3.964 18329 696 1 . 1 1 126 126 THR HA H 149 4.170 4.170 4.493 -0.323 18329 697 1 . 1 1 126 126 THR C C 149 173.100 173.100 173.586 -0.486 18329 698 1 . 1 1 126 126 THR CA C 149 58.800 58.800 60.015 -1.215 18329 699 1 . 1 1 126 126 THR CB C 149 73.100 73.100 71.680 1.420 18329 700 1 . 1 1 126 126 THR H H 149 7.350 7.350 7.158 0.192 18329 701 1 . 1 1 127 127 ALA N N 150 123.270 123.270 124.161 -0.891 18329 702 1 . 1 1 127 127 ALA HA H 150 3.020 3.020 3.461 -0.441 18329 703 1 . 1 1 127 127 ALA CA C 150 55.000 55.000 55.059 -0.059 18329 704 1 . 1 1 127 127 ALA CB C 150 18.700 18.700 18.602 0.098 18329 705 1 . 1 1 127 127 ALA H H 150 7.750 7.750 8.728 -0.978 18329 706 1 . 1 1 128 128 GLN N N 151 114.920 114.920 117.367 -2.447 18329 707 1 . 1 1 128 128 GLN HA H 151 3.750 3.750 4.024 -0.274 18329 708 1 . 1 1 128 128 GLN C C 151 178.400 178.400 178.288 0.112 18329 709 1 . 1 1 128 128 GLN CA C 151 58.800 58.800 58.294 0.506 18329 710 1 . 1 1 128 128 GLN CB C 151 27.200 27.200 28.293 -1.093 18329 711 1 . 1 1 128 128 GLN H H 151 8.300 8.300 8.445 -0.145 18329 712 1 . 1 1 129 129 GLY N N 152 107.280 107.280 107.597 -0.317 18329 713 1 . 1 1 129 129 GLY C C 152 174.900 174.900 176.076 -1.176 18329 714 1 . 1 1 129 129 GLY CA C 152 47.200 47.200 46.854 0.346 18329 715 1 . 1 1 129 129 GLY H H 152 7.920 7.920 7.883 0.037 18329 716 1 . 1 1 130 130 VAL N N 153 119.440 119.440 122.398 -2.958 18329 717 1 . 1 1 130 130 VAL HA H 153 3.470 3.470 3.680 -0.210 18329 718 1 . 1 1 130 130 VAL C C 153 177.700 177.700 177.557 0.143 18329 719 1 . 1 1 130 130 VAL CA C 153 67.800 67.800 65.707 2.093 18329 720 1 . 1 1 130 130 VAL CB C 153 31.700 31.700 31.498 0.202 18329 721 1 . 1 1 130 130 VAL H H 153 7.390 7.390 7.445 -0.055 18329 722 1 . 1 1 131 131 LEU N N 154 118.990 118.990 119.410 -0.420 18329 723 1 . 1 1 131 131 LEU HA H 154 3.910 3.910 3.851 0.059 18329 724 1 . 1 1 131 131 LEU C C 154 180.400 180.400 178.666 1.734 18329 725 1 . 1 1 131 131 LEU CA C 154 58.300 58.300 58.161 0.139 18329 726 1 . 1 1 131 131 LEU CB C 154 41.000 41.000 41.144 -0.144 18329 727 1 . 1 1 131 131 LEU H H 154 8.640 8.640 7.610 1.030 18329 728 1 . 1 1 132 132 GLU N N 155 120.980 120.980 119.206 1.774 18329 729 1 . 1 1 132 132 GLU HA H 155 4.120 4.120 4.012 0.108 18329 730 1 . 1 1 132 132 GLU C C 155 179.400 179.400 179.060 0.340 18329 731 1 . 1 1 132 132 GLU CA C 155 58.900 58.900 59.416 -0.516 18329 732 1 . 1 1 132 132 GLU CB C 155 29.200 29.200 29.268 -0.068 18329 733 1 . 1 1 132 132 GLU H H 155 8.000 8.000 7.672 0.328 18329 734 1 . 1 1 133 133 ILE N N 156 121.830 121.830 119.811 2.019 18329 735 1 . 1 1 133 133 ILE HA H 156 3.580 3.580 3.799 -0.219 18329 736 1 . 1 1 133 133 ILE C C 156 178.000 178.000 178.036 -0.036 18329 737 1 . 1 1 133 133 ILE CA C 156 65.500 65.500 63.095 2.405 18329 738 1 . 1 1 133 133 ILE CB C 156 39.600 39.600 36.808 2.792 18329 739 1 . 1 1 133 133 ILE H H 156 8.040 8.040 7.563 0.477 18329 740 1 . 1 1 134 134 ALA N N 157 121.470 121.470 122.936 -1.466 18329 741 1 . 1 1 134 134 ALA HA H 157 3.900 3.900 3.913 -0.013 18329 742 1 . 1 1 134 134 ALA C C 157 178.800 178.800 179.482 -0.682 18329 743 1 . 1 1 134 134 ALA CA C 157 55.300 55.300 55.440 -0.140 18329 744 1 . 1 1 134 134 ALA CB C 157 18.100 18.100 18.054 0.046 18329 745 1 . 1 1 134 134 ALA H H 157 8.950 8.950 8.322 0.628 18329 746 1 . 1 1 135 135 LYS N N 158 118.470 118.470 118.415 0.055 18329 747 1 . 1 1 135 135 LYS HA H 158 3.910 3.910 3.957 -0.047 18329 748 1 . 1 1 135 135 LYS C C 158 179.300 179.300 178.931 0.369 18329 749 1 . 1 1 135 135 LYS CA C 158 59.500 59.500 59.561 -0.061 18329 750 1 . 1 1 135 135 LYS CB C 158 31.400 31.400 32.322 -0.922 18329 751 1 . 1 1 135 135 LYS H H 158 8.000 8.000 7.926 0.073 18329 752 1 . 1 1 136 136 LYS N N 159 118.000 118.000 119.195 -1.196 18329 753 1 . 1 1 136 136 LYS HA H 159 4.050 4.050 4.123 -0.073 18329 754 1 . 1 1 136 136 LYS C C 159 180.200 180.200 179.395 0.805 18329 755 1 . 1 1 136 136 LYS CA C 159 59.500 59.500 59.032 0.468 18329 756 1 . 1 1 136 136 LYS CB C 159 30.900 30.900 32.214 -1.314 18329 757 1 . 1 1 136 136 LYS H H 159 7.530 7.530 7.755 -0.225 18329 758 1 . 1 1 137 137 MET N N 160 120.990 120.990 119.370 1.620 18329 759 1 . 1 1 137 137 MET HA H 160 3.800 3.800 4.130 -0.330 18329 760 1 . 1 1 137 137 MET C C 160 177.400 177.400 178.232 -0.832 18329 761 1 . 1 1 137 137 MET CA C 160 60.600 60.600 59.815 0.785 18329 762 1 . 1 1 137 137 MET CB C 160 31.800 31.800 32.638 -0.838 18329 763 1 . 1 1 137 137 MET H H 160 8.660 8.660 8.316 0.344 18329 764 1 . 1 1 138 138 ARG N N 161 119.480 119.480 119.306 0.173 18329 765 1 . 1 1 138 138 ARG HA H 161 3.800 3.800 3.968 -0.168 18329 766 1 . 1 1 138 138 ARG C C 161 177.900 177.900 178.543 -0.643 18329 767 1 . 1 1 138 138 ARG CA C 161 60.600 60.600 59.699 0.901 18329 768 1 . 1 1 138 138 ARG CB C 161 29.800 29.800 30.216 -0.416 18329 769 1 . 1 1 138 138 ARG H H 161 9.280 9.280 8.287 0.994 18329 770 1 . 1 1 139 139 GLU N N 162 118.700 118.700 119.314 -0.614 18329 771 1 . 1 1 139 139 GLU HA H 162 4.000 4.000 4.065 -0.065 18329 772 1 . 1 1 139 139 GLU C C 162 179.100 179.100 178.634 0.467 18329 773 1 . 1 1 139 139 GLU CA C 162 59.800 59.800 59.310 0.490 18329 774 1 . 1 1 139 139 GLU CB C 162 29.500 29.500 29.432 0.068 18329 775 1 . 1 1 139 139 GLU H H 162 8.430 8.430 8.162 0.269 18329 776 1 . 1 1 140 140 LYS N N 163 119.310 119.310 119.758 -0.448 18329 777 1 . 1 1 140 140 LYS HA H 163 4.210 4.210 4.107 0.103 18329 778 1 . 1 1 140 140 LYS C C 163 177.900 177.900 179.222 -1.322 18329 779 1 . 1 1 140 140 LYS CA C 163 58.900 58.900 58.725 0.175 18329 780 1 . 1 1 140 140 LYS CB C 163 31.100 31.100 32.322 -1.222 18329 781 1 . 1 1 140 140 LYS H H 163 7.440 7.440 7.646 -0.206 18329 782 1 . 1 1 141 141 LEU N N 164 117.630 117.630 119.506 -1.876 18329 783 1 . 1 1 141 141 LEU HA H 164 3.890 3.890 4.019 -0.129 18329 784 1 . 1 1 141 141 LEU C C 164 178.700 178.700 178.850 -0.150 18329 785 1 . 1 1 141 141 LEU CA C 164 58.000 58.000 57.830 0.170 18329 786 1 . 1 1 141 141 LEU CB C 164 41.500 41.500 41.750 -0.250 18329 787 1 . 1 1 141 141 LEU H H 164 8.180 8.180 7.927 0.253 18329 788 1 . 1 1 142 142 GLN N N 165 117.710 117.710 118.223 -0.513 18329 789 1 . 1 1 142 142 GLN HA H 165 4.310 4.310 3.974 0.336 18329 790 1 . 1 1 142 142 GLN C C 165 179.200 179.200 178.273 0.927 18329 791 1 . 1 1 142 142 GLN CA C 165 58.500 58.500 59.086 -0.586 18329 792 1 . 1 1 142 142 GLN CB C 165 27.500 27.500 28.382 -0.882 18329 793 1 . 1 1 142 142 GLN H H 165 8.730 8.730 8.015 0.715 18329 794 1 . 1 1 143 143 ARG N N 166 121.410 121.410 119.686 1.724 18329 795 1 . 1 1 143 143 ARG HA H 166 4.190 4.190 4.084 0.106 18329 796 1 . 1 1 143 143 ARG C C 166 179.700 179.700 178.595 1.105 18329 797 1 . 1 1 143 143 ARG CA C 166 59.800 59.800 59.341 0.459 18329 798 1 . 1 1 143 143 ARG CB C 166 30.200 30.200 29.980 0.220 18329 799 1 . 1 1 143 143 ARG H H 166 8.050 8.050 7.834 0.216 18329 800 1 . 1 1 144 144 VAL N N 167 120.950 120.950 119.107 1.843 18329 801 1 . 1 1 144 144 VAL HA H 167 3.760 3.760 3.700 0.060 18329 802 1 . 1 1 144 144 VAL C C 167 179.200 179.200 177.730 1.470 18329 803 1 . 1 1 144 144 VAL CA C 167 66.400 66.400 66.551 -0.151 18329 804 1 . 1 1 144 144 VAL CB C 167 32.100 32.100 31.502 0.598 18329 805 1 . 1 1 144 144 VAL H H 167 8.190 8.190 7.546 0.644 18329 806 1 . 1 1 145 145 HIS N N 168 123.520 123.520 118.664 4.856 18329 807 1 . 1 1 145 145 HIS HA H 168 3.900 3.900 4.467 -0.568 18329 808 1 . 1 1 145 145 HIS C C 168 177.100 177.100 177.638 -0.538 18329 809 1 . 1 1 145 145 HIS CA C 168 61.300 61.300 59.279 2.022 18329 810 1 . 1 1 145 145 HIS CB C 168 29.900 29.900 30.212 -0.312 18329 811 1 . 1 1 145 145 HIS H H 168 9.240 9.240 7.955 1.285 18329 812 1 . 1 1 146 146 THR N N 169 115.020 115.020 117.066 -2.046 18329 813 1 . 1 1 146 146 THR HA H 169 3.860 3.860 4.152 -0.291 18329 814 1 . 1 1 146 146 THR C C 169 175.700 175.700 176.332 -0.632 18329 815 1 . 1 1 146 146 THR CA C 169 67.200 67.200 67.049 0.151 18329 816 1 . 1 1 146 146 THR CB C 169 69.300 69.300 68.758 0.542 18329 817 1 . 1 1 146 146 THR H H 169 8.750 8.750 8.530 0.220 18329 818 1 . 1 1 147 147 LYS N N 170 120.300 120.300 121.147 -0.847 18329 819 1 . 1 1 147 147 LYS HA H 170 4.000 4.000 3.987 0.013 18329 820 1 . 1 1 147 147 LYS C C 170 179.300 179.300 178.794 0.506 18329 821 1 . 1 1 147 147 LYS CA C 170 59.100 59.100 59.849 -0.749 18329 822 1 . 1 1 147 147 LYS CB C 170 31.800 31.800 32.200 -0.400 18329 823 1 . 1 1 147 147 LYS H H 170 8.020 8.020 8.144 -0.124 18329 824 1 . 1 1 148 148 ASN N N 171 117.600 117.600 117.782 -0.182 18329 825 1 . 1 1 148 148 ASN HA H 171 4.320 4.320 4.490 -0.170 18329 826 1 . 1 1 148 148 ASN C C 171 175.400 175.400 177.637 -2.237 18329 827 1 . 1 1 148 148 ASN CA C 171 57.700 57.700 55.869 1.831 18329 828 1 . 1 1 148 148 ASN CB C 171 39.700 39.700 38.489 1.211 18329 829 1 . 1 1 148 148 ASN H H 171 7.810 7.810 7.689 0.121 18329 830 1 . 1 1 149 149 TYR N N 172 121.560 121.560 121.414 0.146 18329 831 1 . 1 1 149 149 TYR HA H 172 3.890 3.890 4.213 -0.324 18329 832 1 . 1 1 149 149 TYR C C 172 176.900 176.900 177.544 -0.644 18329 833 1 . 1 1 149 149 TYR CA C 172 61.500 61.500 61.897 -0.398 18329 834 1 . 1 1 149 149 TYR CB C 172 38.920 38.920 38.647 0.273 18329 835 1 . 1 1 149 149 TYR H H 172 9.020 9.020 7.850 1.170 18329 836 1 . 1 1 150 150 CYS N N 173 116.050 116.050 117.921 -1.871 18329 837 1 . 1 1 150 150 CYS C C 173 177.100 177.100 176.671 0.429 18329 838 1 . 1 1 150 150 CYS CA C 173 58.400 58.400 61.135 -2.735 18329 839 1 . 1 1 150 150 CYS CB C 173 38.600 38.600 26.240 12.360 18329 840 1 . 1 1 150 150 CYS H H 173 8.810 8.810 8.338 0.472 18329 841 1 . 1 1 151 151 THR N N 174 117.190 117.190 115.499 1.691 18329 842 1 . 1 1 151 151 THR HA H 174 3.880 3.880 4.018 -0.138 18329 843 1 . 1 1 151 151 THR C C 174 176.000 176.000 176.622 -0.622 18329 844 1 . 1 1 151 151 THR CA C 174 66.900 66.900 65.714 1.186 18329 845 1 . 1 1 151 151 THR CB C 174 68.500 68.500 68.407 0.093 18329 846 1 . 1 1 151 151 THR H H 174 7.720 7.720 7.959 -0.239 18329 847 1 . 1 1 152 152 LEU N N 175 123.110 123.110 122.076 1.034 18329 848 1 . 1 1 152 152 LEU HA H 175 3.810 3.810 4.065 -0.255 18329 849 1 . 1 1 152 152 LEU CA C 175 58.000 58.000 57.446 0.554 18329 850 1 . 1 1 152 152 LEU CB C 175 41.500 41.500 41.461 0.039 18329 851 1 . 1 1 152 152 LEU H H 175 7.870 7.870 7.690 0.181 18329 852 1 . 1 1 153 153 LYS N N 176 117.270 117.270 118.197 -0.927 18329 853 1 . 1 1 153 153 LYS HA H 176 3.700 3.700 3.891 -0.191 18329 854 1 . 1 1 153 153 LYS C C 176 179.100 179.100 177.983 1.117 18329 855 1 . 1 1 153 153 LYS CA C 176 56.700 56.700 58.382 -1.682 18329 856 1 . 1 1 153 153 LYS CB C 176 29.900 29.900 31.522 -1.622 18329 857 1 . 1 1 153 153 LYS H H 176 7.900 7.900 7.542 0.358 18329 858 1 . 1 1 154 154 LYS N N 177 119.290 119.290 119.343 -0.053 18329 859 1 . 1 1 154 154 LYS HA H 177 4.260 4.260 4.027 0.233 18329 860 1 . 1 1 154 154 LYS C C 177 178.100 178.100 178.150 -0.050 18329 861 1 . 1 1 154 154 LYS CA C 177 57.800 57.800 59.196 -1.396 18329 862 1 . 1 1 154 154 LYS CB C 177 31.800 31.800 31.932 -0.132 18329 863 1 . 1 1 154 154 LYS H H 177 7.540 7.540 7.675 -0.135 18329 864 1 . 1 1 155 155 LYS N N 178 118.910 118.910 118.179 0.732 18329 865 1 . 1 1 155 155 LYS HA H 178 4.050 4.050 4.068 -0.018 18329 866 1 . 1 1 155 155 LYS C C 178 178.100 178.100 178.563 -0.463 18329 867 1 . 1 1 155 155 LYS CA C 178 58.000 58.000 58.761 -0.762 18329 868 1 . 1 1 155 155 LYS CB C 178 32.200 32.200 32.239 -0.039 18329 869 1 . 1 1 155 155 LYS H H 178 7.630 7.630 7.685 -0.055 18329 870 1 . 1 1 156 156 GLU N N 179 117.950 117.950 118.014 -0.064 18329 871 1 . 1 1 156 156 GLU HA H 179 4.110 4.110 4.118 -0.008 18329 872 1 . 1 1 156 156 GLU C C 179 176.700 176.700 178.062 -1.362 18329 873 1 . 1 1 156 156 GLU CA C 179 57.500 57.500 58.528 -1.028 18329 874 1 . 1 1 156 156 GLU CB C 179 29.600 29.600 29.757 -0.157 18329 875 1 . 1 1 156 156 GLU H H 179 7.560 7.560 7.923 -0.363 18329 876 1 . 1 1 157 157 ASN N N 180 116.590 116.590 115.967 0.623 18329 877 1 . 1 1 157 157 ASN HA H 180 4.720 4.720 4.707 0.013 18329 878 1 . 1 1 157 157 ASN C C 180 175.000 175.000 175.794 -0.794 18329 879 1 . 1 1 157 157 ASN CA C 180 52.700 52.700 53.689 -0.989 18329 880 1 . 1 1 157 157 ASN CB C 180 38.800 38.800 38.980 -0.180 18329 881 1 . 1 1 157 157 ASN H H 180 7.820 7.820 7.965 -0.145 18329 882 1 . 1 1 158 158 SER HA H 181 4.450 4.450 4.240 0.210 18329 883 1 . 1 1 158 158 SER CA C 181 60.400 60.400 60.278 0.122 18329 884 1 . 1 1 158 158 SER CB C 181 63.500 63.500 62.561 0.939 18329 885 1 . 1 1 158 158 SER H H 181 8.030 8.030 8.204 -0.174 18329 886 1 . 1 1 159 159 THR N N 182 112.800 112.800 114.788 -1.988 18329 887 1 . 1 1 159 159 THR HA H 182 4.380 4.380 4.289 0.091 18329 888 1 . 1 1 159 159 THR C C 182 174.300 174.300 174.374 -0.074 18329 889 1 . 1 1 159 159 THR CA C 182 61.800 61.800 63.297 -1.497 18329 890 1 . 1 1 159 159 THR CB C 182 69.100 69.100 68.909 0.191 18329 891 1 . 1 1 159 159 THR H H 182 8.070 8.070 8.024 0.046 18329 892 1 . 1 1 160 160 PHE N N 183 123.120 123.120 121.372 1.748 18329 893 1 . 1 1 160 160 PHE HA H 183 4.440 4.440 4.610 -0.170 18329 894 1 . 1 1 160 160 PHE C C 183 175.100 175.100 175.297 -0.197 18329 895 1 . 1 1 160 160 PHE CA C 183 58.900 58.900 58.078 0.822 18329 896 1 . 1 1 160 160 PHE CB C 183 40.000 40.000 39.929 0.071 18329 897 1 . 1 1 160 160 PHE H H 183 7.900 7.900 7.824 0.076 18329 898 1 . 1 1 161 161 THR N N 184 119.330 119.330 116.564 2.766 18329 899 1 . 1 1 161 161 THR HA H 184 4.190 4.190 4.141 0.049 18329 900 1 . 1 1 161 161 THR CA C 184 60.700 60.700 63.192 -2.492 18329 901 1 . 1 1 161 161 THR CB C 184 70.700 70.700 68.778 1.922 18329 902 1 . 1 1 161 161 THR H H 184 7.810 7.810 7.753 0.057 18329 903 1 . 1 1 162 162 ASP N N 185 123.190 123.190 121.107 2.083 18329 904 1 . 1 1 162 162 ASP HA H 185 4.410 4.410 4.569 -0.159 18329 905 1 . 1 1 162 162 ASP C C 185 176.900 176.900 175.344 1.556 18329 906 1 . 1 1 162 162 ASP CA C 185 53.900 53.900 54.667 -0.767 18329 907 1 . 1 1 162 162 ASP CB C 185 44.000 44.000 41.280 2.720 18329 908 1 . 1 1 162 162 ASP H H 185 8.000 8.000 8.391 -0.391 18329 909 1 . 1 1 163 163 GLU HA H 186 4.480 4.480 4.296 0.184 18329 910 1 . 1 1 163 163 GLU CA C 186 58.800 58.800 56.492 2.308 18329 911 1 . 1 1 163 163 GLU CB C 186 28.100 28.100 30.266 -2.166 18329 912 1 . 1 1 166 166 LYS N N 189 118.150 118.150 120.699 -2.549 18329 913 1 . 1 1 166 166 LYS HA H 189 4.220 4.220 4.135 0.085 18329 914 1 . 1 1 166 166 LYS C C 189 177.500 177.500 175.901 1.599 18329 915 1 . 1 1 166 166 LYS CA C 189 58.000 58.000 57.257 0.743 18329 916 1 . 1 1 166 166 LYS CB C 189 32.600 32.600 32.356 0.244 18329 917 1 . 1 1 166 166 LYS H H 189 8.890 8.890 8.165 0.725 18329 918 1 . 1 1 167 167 ASN N N 190 116.210 116.210 119.675 -3.465 18329 919 1 . 1 1 167 167 ASN HA H 190 4.960 4.960 4.591 0.369 18329 920 1 . 1 1 167 167 ASN C C 190 174.900 174.900 174.899 0.001 18329 921 1 . 1 1 167 167 ASN CA C 190 52.900 52.900 53.657 -0.756 18329 922 1 . 1 1 167 167 ASN CB C 190 38.400 38.400 38.608 -0.208 18329 923 1 . 1 1 167 167 ASN H H 190 8.030 8.030 8.481 -0.451 18329 stop_ save_