data_17673 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17673 _Entry.PDB_ID 2LDM 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 17673 _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 5 5 SER HA H 85 4.436 4.436 4.313 0.123 17673 2 1 1 . 1 1 5 5 SER C C 85 173.840 173.840 172.465 1.375 17673 3 1 1 . 1 1 5 5 SER CA C 85 58.100 58.100 58.096 0.004 17673 4 1 1 . 1 1 5 5 SER CB C 85 64.010 64.010 63.703 0.307 17673 5 1 1 . 1 1 6 6 GLU N N 86 122.440 122.440 120.499 1.941 17673 6 1 1 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.273 -0.222 17673 7 1 1 . 1 1 6 6 GLU C C 86 175.710 175.710 174.745 0.965 17673 8 1 1 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.233 1.885 17673 9 1 1 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.854 -1.108 17673 10 1 1 . 1 1 6 6 GLU H H 86 8.107 8.107 7.696 0.411 17673 11 1 1 . 1 1 7 7 PHE N N 87 118.700 118.700 122.131 -3.431 17673 12 1 1 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.804 0.069 17673 13 1 1 . 1 1 7 7 PHE C C 87 174.600 174.600 175.562 -0.962 17673 14 1 1 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.613 -0.488 17673 15 1 1 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.304 0.465 17673 16 1 1 . 1 1 7 7 PHE H H 87 7.598 7.598 8.413 -0.815 17673 17 1 1 . 1 1 8 8 GLN N N 88 118.630 118.630 120.857 -2.227 17673 18 1 1 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.656 0.022 17673 19 1 1 . 1 1 8 8 GLN C C 88 175.670 175.670 174.938 0.732 17673 20 1 1 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.817 -0.362 17673 21 1 1 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.808 0.092 17673 22 1 1 . 1 1 8 8 GLN H H 88 8.906 8.906 8.527 0.379 17673 23 1 1 . 1 1 9 9 ILE N N 89 118.880 118.880 121.195 -2.315 17673 24 1 1 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.587 -0.191 17673 25 1 1 . 1 1 9 9 ILE C C 89 177.130 177.130 176.338 0.792 17673 26 1 1 . 1 1 9 9 ILE CA C 89 63.692 63.692 64.066 -0.374 17673 27 1 1 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.352 0.078 17673 28 1 1 . 1 1 9 9 ILE H H 89 8.384 8.384 8.424 -0.040 17673 29 1 1 . 1 1 10 10 ASN N N 90 119.090 119.090 117.584 1.506 17673 30 1 1 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.405 -0.161 17673 31 1 1 . 1 1 10 10 ASN C C 90 173.870 173.870 174.614 -0.744 17673 32 1 1 . 1 1 10 10 ASN CA C 90 55.690 55.690 55.100 0.590 17673 33 1 1 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.179 0.221 17673 34 1 1 . 1 1 10 10 ASN H H 90 9.136 9.136 8.920 0.216 17673 35 1 1 . 1 1 11 11 GLU N N 91 122.200 122.200 119.203 2.997 17673 36 1 1 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.742 -0.538 17673 37 1 1 . 1 1 11 11 GLU C C 91 176.040 176.040 174.653 1.387 17673 38 1 1 . 1 1 11 11 GLU CA C 91 57.700 57.700 53.818 3.882 17673 39 1 1 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.534 -1.154 17673 40 1 1 . 1 1 11 11 GLU H H 91 8.157 8.157 7.778 0.379 17673 41 1 1 . 1 1 12 12 GLN N N 92 124.360 124.360 121.279 3.081 17673 42 1 1 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.043 -0.209 17673 43 1 1 . 1 1 12 12 GLN C C 92 174.920 174.920 175.693 -0.773 17673 44 1 1 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.311 -1.585 17673 45 1 1 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.785 -0.793 17673 46 1 1 . 1 1 12 12 GLN H H 92 8.605 8.605 8.773 -0.168 17673 47 1 1 . 1 1 13 13 VAL N N 93 118.540 118.540 115.122 3.418 17673 48 1 1 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.340 0.363 17673 49 1 1 . 1 1 13 13 VAL C C 93 174.780 174.780 173.571 1.209 17673 50 1 1 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.671 -0.138 17673 51 1 1 . 1 1 13 13 VAL CB C 93 35.987 35.987 34.982 1.005 17673 52 1 1 . 1 1 13 13 VAL H H 93 8.997 8.997 9.032 -0.035 17673 53 1 1 . 1 1 14 14 LEU N N 94 118.610 118.610 121.400 -2.790 17673 54 1 1 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.020 -0.018 17673 55 1 1 . 1 1 14 14 LEU C C 94 175.290 175.290 175.287 0.003 17673 56 1 1 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.572 0.287 17673 57 1 1 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.909 1.749 17673 58 1 1 . 1 1 14 14 LEU H H 94 8.618 8.618 8.517 0.102 17673 59 1 1 . 1 1 15 15 ALA N N 95 122.870 122.870 126.504 -3.634 17673 60 1 1 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.491 0.374 17673 61 1 1 . 1 1 15 15 ALA C C 95 176.220 176.220 176.761 -0.541 17673 62 1 1 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.286 -0.336 17673 63 1 1 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.911 0.229 17673 64 1 1 . 1 1 15 15 ALA H H 95 9.335 9.335 9.360 -0.025 17673 65 1 1 . 1 1 16 16 SER N N 96 117.200 117.200 120.629 -3.429 17673 66 1 1 . 1 1 16 16 SER HA H 96 4.520 4.520 4.616 -0.096 17673 67 1 1 . 1 1 16 16 SER C C 96 174.250 174.250 174.174 0.076 17673 68 1 1 . 1 1 16 16 SER CA C 96 57.245 57.245 59.307 -2.062 17673 69 1 1 . 1 1 16 16 SER CB C 96 63.974 63.974 63.230 0.744 17673 70 1 1 . 1 1 16 16 SER H H 96 8.513 8.513 8.926 -0.413 17673 71 1 1 . 1 1 17 17 TRP N N 97 125.340 125.340 130.253 -4.913 17673 72 1 1 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.149 1.088 17673 73 1 1 . 1 1 17 17 TRP C C 97 176.630 176.630 176.992 -0.362 17673 74 1 1 . 1 1 17 17 TRP CA C 97 54.890 54.890 57.018 -2.128 17673 75 1 1 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.103 0.917 17673 76 1 1 . 1 1 17 17 TRP H H 97 8.621 8.621 8.965 -0.344 17673 77 1 1 . 1 1 18 18 SER N N 98 118.120 118.120 118.231 -0.111 17673 78 1 1 . 1 1 18 18 SER HA H 98 3.912 3.912 3.944 -0.032 17673 79 1 1 . 1 1 18 18 SER C C 98 173.650 173.650 175.016 -1.366 17673 80 1 1 . 1 1 18 18 SER CA C 98 59.400 59.400 60.629 -1.229 17673 81 1 1 . 1 1 18 18 SER CB C 98 62.330 62.330 62.865 -0.535 17673 82 1 1 . 1 1 18 18 SER H H 98 6.530 6.530 8.043 -1.513 17673 83 1 1 . 1 1 19 19 ASP N N 99 119.980 119.980 118.316 1.664 17673 84 1 1 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.236 0.204 17673 85 1 1 . 1 1 19 19 ASP C C 99 176.200 176.200 176.567 -0.367 17673 86 1 1 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.917 -2.497 17673 87 1 1 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.405 -1.215 17673 88 1 1 . 1 1 19 19 ASP H H 99 7.834 7.834 7.512 0.322 17673 89 1 1 . 1 1 20 20 SER N N 100 110.670 110.670 109.567 1.103 17673 90 1 1 . 1 1 20 20 SER HA H 100 3.923 3.923 4.448 -0.525 17673 91 1 1 . 1 1 20 20 SER C C 100 173.090 173.090 173.615 -0.525 17673 92 1 1 . 1 1 20 20 SER CA C 100 60.410 60.410 59.018 1.392 17673 93 1 1 . 1 1 20 20 SER CB C 100 62.350 62.350 64.208 -1.858 17673 94 1 1 . 1 1 20 20 SER H H 100 8.127 8.127 8.333 -0.206 17673 95 1 1 . 1 1 21 21 ARG N N 101 120.850 120.850 120.685 0.165 17673 96 1 1 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.466 0.005 17673 97 1 1 . 1 1 21 21 ARG C C 101 174.190 174.190 174.706 -0.516 17673 98 1 1 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.595 0.415 17673 99 1 1 . 1 1 21 21 ARG CB C 101 31.000 31.000 31.126 -0.126 17673 100 1 1 . 1 1 21 21 ARG H H 101 8.097 8.097 8.110 -0.013 17673 101 1 1 . 1 1 22 22 PHE N N 102 118.370 118.370 118.818 -0.448 17673 102 1 1 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.808 0.025 17673 103 1 1 . 1 1 22 22 PHE C C 102 175.840 175.840 176.013 -0.173 17673 104 1 1 . 1 1 22 22 PHE CA C 102 57.740 57.740 58.569 -0.829 17673 105 1 1 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.865 2.155 17673 106 1 1 . 1 1 22 22 PHE H H 102 8.400 8.400 8.059 0.341 17673 107 1 1 . 1 1 23 23 TYR N N 103 119.450 119.450 121.927 -2.477 17673 108 1 1 . 1 1 23 23 TYR HA H 103 5.140 5.140 4.855 0.285 17673 109 1 1 . 1 1 23 23 TYR CA C 103 55.710 55.710 56.068 -0.358 17673 110 1 1 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.799 -0.139 17673 111 1 1 . 1 1 23 23 TYR H H 103 9.263 9.263 9.041 0.222 17673 112 1 1 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.180 -0.152 17673 113 1 1 . 1 1 24 24 PRO C C 104 175.500 175.500 175.817 -0.317 17673 114 1 1 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.733 1.127 17673 115 1 1 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.469 0.131 17673 116 1 1 . 1 1 25 25 ALA N N 105 124.530 124.530 121.747 2.783 17673 117 1 1 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.865 0.933 17673 118 1 1 . 1 1 25 25 ALA C C 105 174.470 174.470 174.506 -0.036 17673 119 1 1 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.616 0.264 17673 120 1 1 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.359 1.041 17673 121 1 1 . 1 1 25 25 ALA H H 105 9.121 9.121 8.766 0.355 17673 122 1 1 . 1 1 26 26 LYS N N 106 117.940 117.940 120.772 -2.832 17673 123 1 1 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.873 0.344 17673 124 1 1 . 1 1 26 26 LYS C C 106 176.420 176.420 175.939 0.481 17673 125 1 1 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.750 -0.750 17673 126 1 1 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.761 1.319 17673 127 1 1 . 1 1 26 26 LYS H H 106 8.064 8.064 8.336 -0.272 17673 128 1 1 . 1 1 27 27 VAL N N 107 123.950 123.950 127.926 -3.976 17673 129 1 1 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.073 -0.117 17673 130 1 1 . 1 1 27 27 VAL C C 107 177.040 177.040 176.847 0.193 17673 131 1 1 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.107 -0.047 17673 132 1 1 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.759 0.171 17673 133 1 1 . 1 1 27 27 VAL H H 107 8.264 8.264 8.946 -0.682 17673 134 1 1 . 1 1 28 28 THR N N 108 121.600 121.600 118.389 3.211 17673 135 1 1 . 1 1 28 28 THR HA H 108 4.680 4.680 4.506 0.174 17673 136 1 1 . 1 1 28 28 THR C C 108 175.270 175.270 174.507 0.763 17673 137 1 1 . 1 1 28 28 THR CA C 108 62.180 62.180 61.449 0.731 17673 138 1 1 . 1 1 28 28 THR CB C 108 68.940 68.940 70.759 -1.819 17673 139 1 1 . 1 1 28 28 THR H H 108 9.633 9.633 8.931 0.702 17673 140 1 1 . 1 1 29 29 ALA N N 109 123.390 123.390 123.934 -0.544 17673 141 1 1 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.628 -0.189 17673 142 1 1 . 1 1 29 29 ALA C C 109 174.910 174.910 174.809 0.101 17673 143 1 1 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.960 1.450 17673 144 1 1 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.414 0.801 17673 145 1 1 . 1 1 29 29 ALA H H 109 8.058 8.058 7.744 0.314 17673 146 1 1 . 1 1 30 30 VAL N N 110 123.310 123.310 118.388 4.922 17673 147 1 1 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.466 -0.366 17673 148 1 1 . 1 1 30 30 VAL C C 110 175.510 175.510 174.574 0.936 17673 149 1 1 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.163 1.517 17673 150 1 1 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.636 -2.906 17673 151 1 1 . 1 1 30 30 VAL H H 110 8.541 8.541 8.271 0.270 17673 152 1 1 . 1 1 31 31 ASN N N 111 123.230 123.230 122.939 0.291 17673 153 1 1 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.993 -0.056 17673 154 1 1 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.061 1.034 17673 155 1 1 . 1 1 31 31 ASN CB C 111 39.550 39.550 41.020 -1.470 17673 156 1 1 . 1 1 31 31 ASN H H 111 7.957 7.957 8.738 -0.781 17673 157 1 1 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.970 0.214 17673 158 1 1 . 1 1 32 32 LYS C C 112 176.120 176.120 177.286 -1.166 17673 159 1 1 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.290 0.020 17673 160 1 1 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.248 -0.338 17673 161 1 1 . 1 1 33 33 ASP N N 113 117.410 117.410 116.606 0.804 17673 162 1 1 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.454 0.078 17673 163 1 1 . 1 1 33 33 ASP C C 113 177.040 177.040 177.105 -0.065 17673 164 1 1 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.021 -2.134 17673 165 1 1 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.114 -1.124 17673 166 1 1 . 1 1 33 33 ASP H H 113 7.867 7.867 8.110 -0.243 17673 167 1 1 . 1 1 34 34 GLY N N 114 107.300 107.300 106.096 1.204 17673 168 1 1 . 1 1 34 34 GLY C C 114 174.640 174.640 173.353 1.287 17673 169 1 1 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.864 0.926 17673 170 1 1 . 1 1 34 34 GLY H H 114 7.944 7.944 8.020 -0.076 17673 171 1 1 . 1 1 35 35 THR N N 115 108.940 108.940 112.172 -3.232 17673 172 1 1 . 1 1 35 35 THR HA H 115 4.824 4.824 5.415 -0.591 17673 173 1 1 . 1 1 35 35 THR C C 115 173.650 173.650 172.238 1.412 17673 174 1 1 . 1 1 35 35 THR CA C 115 60.640 60.640 59.920 0.719 17673 175 1 1 . 1 1 35 35 THR CB C 115 72.740 72.740 72.290 0.450 17673 176 1 1 . 1 1 35 35 THR H H 115 7.381 7.381 7.742 -0.361 17673 177 1 1 . 1 1 36 36 TYR N N 116 116.170 116.170 118.477 -2.307 17673 178 1 1 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.935 0.240 17673 179 1 1 . 1 1 36 36 TYR C C 116 175.890 175.890 174.340 1.550 17673 180 1 1 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.486 -0.476 17673 181 1 1 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.515 -1.345 17673 182 1 1 . 1 1 36 36 TYR H H 116 9.058 9.058 9.297 -0.239 17673 183 1 1 . 1 1 37 37 THR N N 117 120.780 120.780 119.389 1.391 17673 184 1 1 . 1 1 37 37 THR HA H 117 5.116 5.116 5.386 -0.270 17673 185 1 1 . 1 1 37 37 THR C C 117 173.990 173.990 173.563 0.427 17673 186 1 1 . 1 1 37 37 THR CA C 117 63.060 63.060 61.355 1.705 17673 187 1 1 . 1 1 37 37 THR CB C 117 69.255 69.255 70.454 -1.199 17673 188 1 1 . 1 1 37 37 THR H H 117 9.035 9.035 9.070 -0.035 17673 189 1 1 . 1 1 38 38 VAL N N 118 120.000 120.000 118.920 1.080 17673 190 1 1 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.054 0.195 17673 191 1 1 . 1 1 38 38 VAL C C 118 172.390 172.390 173.152 -0.762 17673 192 1 1 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.262 -1.522 17673 193 1 1 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.467 -0.537 17673 194 1 1 . 1 1 38 38 VAL H H 118 9.183 9.183 9.061 0.122 17673 195 1 1 . 1 1 39 39 LYS N N 119 121.000 121.000 122.764 -1.764 17673 196 1 1 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.126 -0.064 17673 197 1 1 . 1 1 39 39 LYS C C 119 178.050 178.050 175.179 2.871 17673 198 1 1 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.178 0.032 17673 199 1 1 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.664 -0.744 17673 200 1 1 . 1 1 39 39 LYS H H 119 8.802 8.802 8.794 0.008 17673 201 1 1 . 1 1 40 40 PHE N N 120 127.480 127.480 125.790 1.690 17673 202 1 1 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.299 0.447 17673 203 1 1 . 1 1 40 40 PHE C C 120 178.110 178.110 176.734 1.376 17673 204 1 1 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.456 2.154 17673 205 1 1 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.880 2.159 17673 206 1 1 . 1 1 40 40 PHE H H 120 9.634 9.634 9.252 0.382 17673 207 1 1 . 1 1 41 41 TYR N N 121 119.600 119.600 122.890 -3.290 17673 208 1 1 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.234 0.170 17673 209 1 1 . 1 1 41 41 TYR C C 121 174.890 174.890 176.603 -1.713 17673 210 1 1 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.098 -0.186 17673 211 1 1 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.855 -0.416 17673 212 1 1 . 1 1 41 41 TYR H H 121 8.679 8.679 8.154 0.525 17673 213 1 1 . 1 1 42 42 ASP N N 122 117.780 117.780 118.403 -0.623 17673 214 1 1 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.547 -0.234 17673 215 1 1 . 1 1 42 42 ASP C C 122 176.810 176.810 177.122 -0.312 17673 216 1 1 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.789 -2.119 17673 217 1 1 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.513 -2.803 17673 218 1 1 . 1 1 42 42 ASP H H 122 7.128 7.128 7.912 -0.784 17673 219 1 1 . 1 1 43 43 GLY N N 123 108.200 108.200 106.938 1.262 17673 220 1 1 . 1 1 43 43 GLY C C 123 173.670 173.670 173.738 -0.068 17673 221 1 1 . 1 1 43 43 GLY CA C 123 45.250 45.250 45.018 0.232 17673 222 1 1 . 1 1 43 43 GLY H H 123 8.242 8.242 7.959 0.283 17673 223 1 1 . 1 1 44 44 VAL N N 124 121.320 121.320 119.810 1.510 17673 224 1 1 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.544 -0.701 17673 225 1 1 . 1 1 44 44 VAL C C 124 174.610 174.610 174.575 0.035 17673 226 1 1 . 1 1 44 44 VAL CA C 124 63.970 63.970 61.356 2.614 17673 227 1 1 . 1 1 44 44 VAL CB C 124 32.240 32.240 35.860 -3.620 17673 228 1 1 . 1 1 44 44 VAL H H 124 6.877 6.877 7.792 -0.915 17673 229 1 1 . 1 1 45 45 VAL N N 125 129.030 129.030 125.714 3.316 17673 230 1 1 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.239 0.030 17673 231 1 1 . 1 1 45 45 VAL C C 125 176.640 176.640 175.070 1.570 17673 232 1 1 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.955 0.125 17673 233 1 1 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.056 -1.636 17673 234 1 1 . 1 1 45 45 VAL H H 125 8.529 8.529 8.511 0.018 17673 235 1 1 . 1 1 46 46 GLN N N 126 125.880 125.880 124.801 1.079 17673 236 1 1 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.884 -0.047 17673 237 1 1 . 1 1 46 46 GLN C C 126 173.960 173.960 174.092 -0.132 17673 238 1 1 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.591 0.049 17673 239 1 1 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.538 2.142 17673 240 1 1 . 1 1 46 46 GLN H H 126 8.989 8.989 9.055 -0.066 17673 241 1 1 . 1 1 47 47 THR N N 127 121.970 121.970 118.601 3.369 17673 242 1 1 . 1 1 47 47 THR HA H 127 5.347 5.347 5.480 -0.133 17673 243 1 1 . 1 1 47 47 THR C C 127 174.500 174.500 174.224 0.276 17673 244 1 1 . 1 1 47 47 THR CA C 127 62.730 62.730 61.520 1.210 17673 245 1 1 . 1 1 47 47 THR CB C 127 69.540 69.540 69.954 -0.414 17673 246 1 1 . 1 1 47 47 THR H H 127 8.912 8.912 8.450 0.462 17673 247 1 1 . 1 1 48 48 VAL N N 128 121.810 121.810 121.472 0.338 17673 248 1 1 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.039 -0.037 17673 249 1 1 . 1 1 48 48 VAL C C 128 174.840 174.840 174.107 0.733 17673 250 1 1 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.745 -0.695 17673 251 1 1 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.349 0.491 17673 252 1 1 . 1 1 48 48 VAL H H 128 9.513 9.513 9.265 0.248 17673 253 1 1 . 1 1 49 49 LYS N N 129 121.050 121.050 118.934 2.116 17673 254 1 1 . 1 1 49 49 LYS HA H 129 4.436 4.436 5.051 -0.615 17673 255 1 1 . 1 1 49 49 LYS C C 129 178.110 178.110 178.267 -0.157 17673 256 1 1 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.863 2.247 17673 257 1 1 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.162 0.008 17673 258 1 1 . 1 1 49 49 LYS H H 129 9.021 9.021 8.719 0.302 17673 259 1 1 . 1 1 50 50 HIS N N 130 119.600 119.600 120.832 -1.232 17673 260 1 1 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.418 0.058 17673 261 1 1 . 1 1 50 50 HIS C C 130 176.820 176.820 177.590 -0.770 17673 262 1 1 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.572 0.778 17673 263 1 1 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.242 0.218 17673 264 1 1 . 1 1 50 50 HIS H H 130 8.679 8.679 8.723 -0.044 17673 265 1 1 . 1 1 51 51 ILE N N 131 109.320 109.320 113.342 -4.022 17673 266 1 1 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.645 0.615 17673 267 1 1 . 1 1 51 51 ILE C C 131 176.350 176.350 175.955 0.395 17673 268 1 1 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.759 -0.049 17673 269 1 1 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.839 1.221 17673 270 1 1 . 1 1 51 51 ILE H H 131 6.790 6.790 8.143 -1.353 17673 271 1 1 . 1 1 52 52 HIS N N 132 121.710 121.710 115.514 6.196 17673 272 1 1 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.922 0.050 17673 273 1 1 . 1 1 52 52 HIS C C 132 172.680 172.680 174.106 -1.426 17673 274 1 1 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.711 -0.601 17673 275 1 1 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.847 -0.017 17673 276 1 1 . 1 1 52 52 HIS H H 132 8.064 8.064 7.700 0.364 17673 277 1 1 . 1 1 53 53 VAL N N 133 118.360 118.360 117.658 0.702 17673 278 1 1 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.115 -0.111 17673 279 1 1 . 1 1 53 53 VAL C C 133 173.990 173.990 174.040 -0.050 17673 280 1 1 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.598 0.702 17673 281 1 1 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.718 -0.668 17673 282 1 1 . 1 1 53 53 VAL H H 133 7.614 7.614 7.597 0.017 17673 283 1 1 . 1 1 54 54 LYS N N 134 123.720 123.720 120.779 2.941 17673 284 1 1 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.693 0.127 17673 285 1 1 . 1 1 54 54 LYS C C 134 173.820 173.820 174.346 -0.526 17673 286 1 1 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.614 0.606 17673 287 1 1 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.726 0.904 17673 288 1 1 . 1 1 54 54 LYS H H 134 9.207 9.207 8.818 0.389 17673 289 1 1 . 1 1 55 55 ALA N N 135 121.610 121.610 121.136 0.474 17673 290 1 1 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.835 0.601 17673 291 1 1 . 1 1 55 55 ALA C C 135 177.670 177.670 177.090 0.580 17673 292 1 1 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.300 -0.099 17673 293 1 1 . 1 1 55 55 ALA CB C 135 19.110 19.110 19.071 0.039 17673 294 1 1 . 1 1 55 55 ALA H H 135 8.560 8.560 8.443 0.117 17673 295 1 1 . 1 1 56 56 PHE N N 136 120.080 120.080 119.144 0.936 17673 296 1 1 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.050 0.213 17673 297 1 1 . 1 1 56 56 PHE C C 136 175.380 175.380 175.744 -0.364 17673 298 1 1 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.304 -0.444 17673 299 1 1 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.191 0.959 17673 300 1 1 . 1 1 56 56 PHE H H 136 8.680 8.680 7.707 0.973 17673 301 1 1 . 1 1 57 57 SER N N 137 117.820 117.820 113.718 4.102 17673 302 1 1 . 1 1 57 57 SER HA H 137 4.367 4.367 4.309 0.058 17673 303 1 1 . 1 1 57 57 SER CA C 137 57.350 57.350 59.047 -1.697 17673 304 1 1 . 1 1 57 57 SER CB C 137 64.220 64.220 63.234 0.986 17673 305 1 1 . 1 1 57 57 SER H H 137 7.298 7.298 7.736 -0.438 17673 306 1 1 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.741 0.437 17673 307 1 1 . 1 1 58 58 LYS C C 138 176.260 176.260 177.792 -1.532 17673 308 1 1 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.863 -2.123 17673 309 1 1 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.541 0.259 17673 310 1 1 . 1 1 59 59 ASP N N 139 120.500 120.500 118.615 1.885 17673 311 1 1 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.403 0.122 17673 312 1 1 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.909 -1.269 17673 313 1 1 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.200 -0.220 17673 314 1 1 . 1 1 59 59 ASP H H 139 8.245 8.245 8.511 -0.266 17673 315 1 1 . 1 1 60 60 GLN N N 140 120.290 120.290 114.640 5.650 17673 316 1 1 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.518 -0.271 17673 317 1 1 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.678 1.382 17673 318 1 1 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.138 -2.748 17673 319 1 1 . 1 1 60 60 GLN H H 140 8.212 8.212 8.136 0.075 17673 320 1 1 . 1 1 61 61 ASN N N 141 121.710 121.710 119.108 2.602 17673 321 1 1 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.748 -0.027 17673 322 1 1 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.025 -0.946 17673 323 1 1 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.632 -0.722 17673 324 1 1 . 1 1 61 61 ASN H H 141 8.064 8.064 8.744 -0.680 17673 325 1 1 . 1 1 62 62 ILE N N 142 120.890 120.890 119.875 1.015 17673 326 1 1 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.578 -0.406 17673 327 1 1 . 1 1 62 62 ILE C C 142 176.330 176.330 175.035 1.295 17673 328 1 1 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.920 0.430 17673 329 1 1 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.032 0.543 17673 330 1 1 . 1 1 62 62 ILE H H 142 8.010 8.010 8.943 -0.933 17673 331 1 1 . 1 1 63 63 VAL N N 143 123.520 123.520 119.674 3.846 17673 332 1 1 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.273 -0.165 17673 333 1 1 . 1 1 63 63 VAL C C 143 176.740 176.740 176.509 0.231 17673 334 1 1 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.012 -0.302 17673 335 1 1 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.369 -0.799 17673 336 1 1 . 1 1 63 63 VAL H H 143 8.157 8.157 8.676 -0.519 17673 337 1 1 . 1 1 64 64 GLY N N 144 112.060 112.060 107.438 4.622 17673 338 1 1 . 1 1 64 64 GLY C C 144 173.940 173.940 174.179 -0.239 17673 339 1 1 . 1 1 64 64 GLY CA C 144 45.480 45.480 45.794 -0.314 17673 340 1 1 . 1 1 64 64 GLY H H 144 8.408 8.408 8.342 0.066 17673 341 1 1 . 1 1 65 65 ASN N N 145 118.830 118.830 116.831 1.999 17673 342 1 1 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.819 -0.103 17673 343 1 1 . 1 1 65 65 ASN C C 145 175.220 175.220 173.332 1.888 17673 344 1 1 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.335 0.825 17673 345 1 1 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.634 -2.634 17673 346 1 1 . 1 1 65 65 ASN H H 145 8.305 8.305 7.900 0.405 17673 347 1 1 . 1 1 66 66 ALA N N 146 124.400 124.400 121.490 2.910 17673 348 1 1 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.580 -0.240 17673 349 1 1 . 1 1 66 66 ALA C C 146 177.870 177.870 177.458 0.412 17673 350 1 1 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.572 1.448 17673 351 1 1 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.267 -0.177 17673 352 1 1 . 1 1 66 66 ALA H H 146 8.341 8.341 8.623 -0.282 17673 353 1 1 . 1 1 284 284 ALA N N 364 124.540 124.540 126.591 -2.051 17673 354 1 1 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.848 -0.584 17673 355 1 1 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.896 0.759 17673 356 1 1 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.712 -1.582 17673 357 1 1 . 1 1 284 284 ALA H H 364 8.267 8.267 8.539 -0.272 17673 358 1 1 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.816 0.008 17673 359 1 1 . 1 1 285 285 HIS H H 365 8.447 8.447 8.022 0.425 17673 360 1 1 . 1 1 286 286 SER N N 366 117.450 117.450 113.745 3.705 17673 361 1 1 . 1 1 286 286 SER HA H 366 4.460 4.460 4.479 -0.019 17673 362 1 1 . 1 1 286 286 SER CA C 366 58.330 58.330 57.072 1.258 17673 363 1 1 . 1 1 286 286 SER CB C 366 64.030 64.030 65.597 -1.567 17673 364 1 1 . 1 1 286 286 SER H H 366 8.287 8.287 7.671 0.616 17673 365 1 1 . 1 1 287 287 SER N N 367 117.450 117.450 115.039 2.411 17673 366 1 1 . 1 1 287 287 SER HA H 367 4.460 4.460 4.677 -0.217 17673 367 1 1 . 1 1 287 287 SER CA C 367 58.330 58.330 58.446 -0.115 17673 368 1 1 . 1 1 287 287 SER CB C 367 64.030 64.030 63.761 0.269 17673 369 1 1 . 1 1 287 287 SER H H 367 8.287 8.287 8.352 -0.065 17673 370 1 1 . 1 1 292 292 LYS N N 372 123.390 123.390 122.891 0.499 17673 371 1 1 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.378 -0.030 17673 372 1 1 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.332 0.308 17673 373 1 1 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.647 0.503 17673 374 1 1 . 1 1 292 292 LYS H H 372 8.416 8.416 7.912 0.504 17673 375 1 1 . 1 1 293 293 LYS N N 373 123.390 123.390 121.365 2.025 17673 376 1 1 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.085 0.263 17673 377 1 1 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.362 -0.076 17673 378 1 1 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.809 0.342 17673 379 1 1 . 1 1 293 293 LYS H H 373 8.416 8.416 7.754 0.662 17673 380 1 2 . 1 1 5 5 SER HA H 85 4.436 4.436 3.604 0.832 17673 381 1 2 . 1 1 5 5 SER C C 85 173.840 173.840 172.740 1.100 17673 382 1 2 . 1 1 5 5 SER CA C 85 58.100 58.100 58.860 -0.760 17673 383 1 2 . 1 1 5 5 SER CB C 85 64.010 64.010 62.536 1.474 17673 384 1 2 . 1 1 6 6 GLU N N 86 122.440 122.440 119.066 3.374 17673 385 1 2 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.160 -0.109 17673 386 1 2 . 1 1 6 6 GLU C C 86 175.710 175.710 175.826 -0.116 17673 387 1 2 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.571 1.548 17673 388 1 2 . 1 1 6 6 GLU CB C 86 30.746 30.746 29.952 0.794 17673 389 1 2 . 1 1 6 6 GLU H H 86 8.107 8.107 8.075 0.032 17673 390 1 2 . 1 1 7 7 PHE N N 87 118.700 118.700 113.544 5.156 17673 391 1 2 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.295 0.578 17673 392 1 2 . 1 1 7 7 PHE C C 87 174.600 174.600 174.359 0.241 17673 393 1 2 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.865 -1.740 17673 394 1 2 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.300 4.469 17673 395 1 2 . 1 1 7 7 PHE H H 87 7.598 7.598 7.493 0.105 17673 396 1 2 . 1 1 8 8 GLN N N 88 118.630 118.630 116.970 1.660 17673 397 1 2 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.726 -0.048 17673 398 1 2 . 1 1 8 8 GLN C C 88 175.670 175.670 175.861 -0.191 17673 399 1 2 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.671 -0.216 17673 400 1 2 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.264 0.636 17673 401 1 2 . 1 1 8 8 GLN H H 88 8.906 8.906 7.624 1.282 17673 402 1 2 . 1 1 9 9 ILE N N 89 118.880 118.880 120.188 -1.308 17673 403 1 2 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.616 -0.220 17673 404 1 2 . 1 1 9 9 ILE C C 89 177.130 177.130 176.348 0.782 17673 405 1 2 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.693 -0.001 17673 406 1 2 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.096 0.334 17673 407 1 2 . 1 1 9 9 ILE H H 89 8.384 8.384 8.351 0.033 17673 408 1 2 . 1 1 10 10 ASN N N 90 119.090 119.090 118.887 0.203 17673 409 1 2 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.317 -0.073 17673 410 1 2 . 1 1 10 10 ASN C C 90 173.870 173.870 174.148 -0.278 17673 411 1 2 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.746 0.944 17673 412 1 2 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.827 0.573 17673 413 1 2 . 1 1 10 10 ASN H H 90 9.136 9.136 9.065 0.071 17673 414 1 2 . 1 1 11 11 GLU N N 91 122.200 122.200 117.481 4.719 17673 415 1 2 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.666 -0.462 17673 416 1 2 . 1 1 11 11 GLU C C 91 176.040 176.040 174.699 1.341 17673 417 1 2 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.204 3.496 17673 418 1 2 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.642 -1.262 17673 419 1 2 . 1 1 11 11 GLU H H 91 8.157 8.157 7.870 0.287 17673 420 1 2 . 1 1 12 12 GLN N N 92 124.360 124.360 119.879 4.481 17673 421 1 2 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.040 -0.206 17673 422 1 2 . 1 1 12 12 GLN C C 92 174.920 174.920 175.742 -0.822 17673 423 1 2 . 1 1 12 12 GLN CA C 92 55.726 55.726 56.857 -1.131 17673 424 1 2 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.671 -0.679 17673 425 1 2 . 1 1 12 12 GLN H H 92 8.605 8.605 8.579 0.026 17673 426 1 2 . 1 1 13 13 VAL N N 93 118.540 118.540 113.395 5.145 17673 427 1 2 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.518 0.185 17673 428 1 2 . 1 1 13 13 VAL C C 93 174.780 174.780 173.539 1.241 17673 429 1 2 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.010 -0.477 17673 430 1 2 . 1 1 13 13 VAL CB C 93 35.987 35.987 34.898 1.089 17673 431 1 2 . 1 1 13 13 VAL H H 93 8.997 8.997 8.899 0.098 17673 432 1 2 . 1 1 14 14 LEU N N 94 118.610 118.610 121.591 -2.981 17673 433 1 2 . 1 1 14 14 LEU HA H 94 5.002 5.002 4.994 0.008 17673 434 1 2 . 1 1 14 14 LEU C C 94 175.290 175.290 175.123 0.167 17673 435 1 2 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.505 0.353 17673 436 1 2 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.807 1.851 17673 437 1 2 . 1 1 14 14 LEU H H 94 8.618 8.618 8.537 0.081 17673 438 1 2 . 1 1 15 15 ALA N N 95 122.870 122.870 126.207 -3.337 17673 439 1 2 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.234 0.631 17673 440 1 2 . 1 1 15 15 ALA C C 95 176.220 176.220 176.568 -0.348 17673 441 1 2 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.183 -0.233 17673 442 1 2 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.920 0.220 17673 443 1 2 . 1 1 15 15 ALA H H 95 9.335 9.335 9.233 0.102 17673 444 1 2 . 1 1 16 16 SER N N 96 117.200 117.200 120.311 -3.111 17673 445 1 2 . 1 1 16 16 SER HA H 96 4.520 4.520 4.745 -0.225 17673 446 1 2 . 1 1 16 16 SER C C 96 174.250 174.250 174.673 -0.423 17673 447 1 2 . 1 1 16 16 SER CA C 96 57.245 57.245 59.593 -2.348 17673 448 1 2 . 1 1 16 16 SER CB C 96 63.974 63.974 63.570 0.404 17673 449 1 2 . 1 1 16 16 SER H H 96 8.513 8.513 8.850 -0.337 17673 450 1 2 . 1 1 17 17 TRP N N 97 125.340 125.340 130.338 -4.998 17673 451 1 2 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.251 0.986 17673 452 1 2 . 1 1 17 17 TRP C C 97 176.630 176.630 177.199 -0.569 17673 453 1 2 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.919 -2.029 17673 454 1 2 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.232 0.788 17673 455 1 2 . 1 1 17 17 TRP H H 97 8.621 8.621 9.136 -0.515 17673 456 1 2 . 1 1 18 18 SER N N 98 118.120 118.120 118.545 -0.425 17673 457 1 2 . 1 1 18 18 SER HA H 98 3.912 3.912 3.953 -0.041 17673 458 1 2 . 1 1 18 18 SER C C 98 173.650 173.650 174.573 -0.923 17673 459 1 2 . 1 1 18 18 SER CA C 98 59.400 59.400 60.620 -1.220 17673 460 1 2 . 1 1 18 18 SER CB C 98 62.330 62.330 62.541 -0.211 17673 461 1 2 . 1 1 18 18 SER H H 98 6.530 6.530 8.030 -1.500 17673 462 1 2 . 1 1 19 19 ASP N N 99 119.980 119.980 119.968 0.012 17673 463 1 2 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.371 0.069 17673 464 1 2 . 1 1 19 19 ASP C C 99 176.200 176.200 175.710 0.490 17673 465 1 2 . 1 1 19 19 ASP CA C 99 53.420 53.420 54.279 -0.859 17673 466 1 2 . 1 1 19 19 ASP CB C 99 40.190 40.190 40.936 -0.746 17673 467 1 2 . 1 1 19 19 ASP H H 99 7.834 7.834 7.456 0.378 17673 468 1 2 . 1 1 20 20 SER N N 100 110.670 110.670 109.032 1.638 17673 469 1 2 . 1 1 20 20 SER HA H 100 3.923 3.923 4.082 -0.159 17673 470 1 2 . 1 1 20 20 SER C C 100 173.090 173.090 172.989 0.101 17673 471 1 2 . 1 1 20 20 SER CA C 100 60.410 60.410 59.011 1.399 17673 472 1 2 . 1 1 20 20 SER CB C 100 62.350 62.350 62.329 0.021 17673 473 1 2 . 1 1 20 20 SER H H 100 8.127 8.127 8.427 -0.300 17673 474 1 2 . 1 1 21 21 ARG N N 101 120.850 120.850 117.545 3.305 17673 475 1 2 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.494 -0.023 17673 476 1 2 . 1 1 21 21 ARG C C 101 174.190 174.190 174.188 0.002 17673 477 1 2 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.417 0.593 17673 478 1 2 . 1 1 21 21 ARG CB C 101 31.000 31.000 31.113 -0.113 17673 479 1 2 . 1 1 21 21 ARG H H 101 8.097 8.097 7.404 0.693 17673 480 1 2 . 1 1 22 22 PHE N N 102 118.370 118.370 118.824 -0.454 17673 481 1 2 . 1 1 22 22 PHE HA H 102 4.833 4.833 5.077 -0.244 17673 482 1 2 . 1 1 22 22 PHE C C 102 175.840 175.840 176.169 -0.329 17673 483 1 2 . 1 1 22 22 PHE CA C 102 57.740 57.740 55.867 1.873 17673 484 1 2 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.937 2.083 17673 485 1 2 . 1 1 22 22 PHE H H 102 8.400 8.400 8.088 0.312 17673 486 1 2 . 1 1 23 23 TYR N N 103 119.450 119.450 119.800 -0.350 17673 487 1 2 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.477 -0.337 17673 488 1 2 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.481 0.229 17673 489 1 2 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.173 -0.513 17673 490 1 2 . 1 1 23 23 TYR H H 103 9.263 9.263 8.926 0.337 17673 491 1 2 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.214 -0.186 17673 492 1 2 . 1 1 24 24 PRO C C 104 175.500 175.500 175.820 -0.320 17673 493 1 2 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.785 1.075 17673 494 1 2 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.573 0.027 17673 495 1 2 . 1 1 25 25 ALA N N 105 124.530 124.530 121.647 2.883 17673 496 1 2 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.017 0.781 17673 497 1 2 . 1 1 25 25 ALA C C 105 174.470 174.470 174.504 -0.034 17673 498 1 2 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.631 0.249 17673 499 1 2 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.289 1.111 17673 500 1 2 . 1 1 25 25 ALA H H 105 9.121 9.121 8.749 0.372 17673 501 1 2 . 1 1 26 26 LYS N N 106 117.940 117.940 121.226 -3.286 17673 502 1 2 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.731 0.486 17673 503 1 2 . 1 1 26 26 LYS C C 106 176.420 176.420 176.247 0.173 17673 504 1 2 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.613 -0.613 17673 505 1 2 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.470 1.610 17673 506 1 2 . 1 1 26 26 LYS H H 106 8.064 8.064 8.366 -0.302 17673 507 1 2 . 1 1 27 27 VAL N N 107 123.950 123.950 127.812 -3.862 17673 508 1 2 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.069 -0.113 17673 509 1 2 . 1 1 27 27 VAL C C 107 177.040 177.040 176.327 0.713 17673 510 1 2 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.767 0.292 17673 511 1 2 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.958 -0.028 17673 512 1 2 . 1 1 27 27 VAL H H 107 8.264 8.264 8.861 -0.597 17673 513 1 2 . 1 1 28 28 THR N N 108 121.600 121.600 119.094 2.506 17673 514 1 2 . 1 1 28 28 THR HA H 108 4.680 4.680 4.508 0.172 17673 515 1 2 . 1 1 28 28 THR C C 108 175.270 175.270 174.534 0.736 17673 516 1 2 . 1 1 28 28 THR CA C 108 62.180 62.180 61.607 0.573 17673 517 1 2 . 1 1 28 28 THR CB C 108 68.940 68.940 70.075 -1.135 17673 518 1 2 . 1 1 28 28 THR H H 108 9.633 9.633 8.812 0.821 17673 519 1 2 . 1 1 29 29 ALA N N 109 123.390 123.390 123.134 0.256 17673 520 1 2 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.623 -0.184 17673 521 1 2 . 1 1 29 29 ALA C C 109 174.910 174.910 174.799 0.111 17673 522 1 2 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.862 1.548 17673 523 1 2 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.204 1.011 17673 524 1 2 . 1 1 29 29 ALA H H 109 8.058 8.058 7.666 0.392 17673 525 1 2 . 1 1 30 30 VAL N N 110 123.310 123.310 118.551 4.759 17673 526 1 2 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.332 -0.232 17673 527 1 2 . 1 1 30 30 VAL C C 110 175.510 175.510 174.533 0.977 17673 528 1 2 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.305 1.375 17673 529 1 2 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.479 -2.749 17673 530 1 2 . 1 1 30 30 VAL H H 110 8.541 8.541 8.269 0.272 17673 531 1 2 . 1 1 31 31 ASN N N 111 123.230 123.230 124.351 -1.121 17673 532 1 2 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.960 -0.023 17673 533 1 2 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.001 1.094 17673 534 1 2 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.427 -0.877 17673 535 1 2 . 1 1 31 31 ASN H H 111 7.957 7.957 8.683 -0.726 17673 536 1 2 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.897 0.287 17673 537 1 2 . 1 1 32 32 LYS C C 112 176.120 176.120 176.969 -0.849 17673 538 1 2 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.475 -0.165 17673 539 1 2 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.314 -0.404 17673 540 1 2 . 1 1 33 33 ASP N N 113 117.410 117.410 116.911 0.499 17673 541 1 2 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.428 0.104 17673 542 1 2 . 1 1 33 33 ASP C C 113 177.040 177.040 176.953 0.087 17673 543 1 2 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.184 -2.297 17673 544 1 2 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.169 -1.179 17673 545 1 2 . 1 1 33 33 ASP H H 113 7.867 7.867 8.052 -0.185 17673 546 1 2 . 1 1 34 34 GLY N N 114 107.300 107.300 105.998 1.302 17673 547 1 2 . 1 1 34 34 GLY C C 114 174.640 174.640 173.241 1.399 17673 548 1 2 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.802 0.988 17673 549 1 2 . 1 1 34 34 GLY H H 114 7.944 7.944 8.037 -0.093 17673 550 1 2 . 1 1 35 35 THR N N 115 108.940 108.940 110.931 -1.991 17673 551 1 2 . 1 1 35 35 THR HA H 115 4.824 4.824 5.364 -0.540 17673 552 1 2 . 1 1 35 35 THR C C 115 173.650 173.650 172.338 1.312 17673 553 1 2 . 1 1 35 35 THR CA C 115 60.640 60.640 59.577 1.063 17673 554 1 2 . 1 1 35 35 THR CB C 115 72.740 72.740 72.299 0.441 17673 555 1 2 . 1 1 35 35 THR H H 115 7.381 7.381 7.882 -0.501 17673 556 1 2 . 1 1 36 36 TYR N N 116 116.170 116.170 118.187 -2.017 17673 557 1 2 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.997 0.178 17673 558 1 2 . 1 1 36 36 TYR C C 116 175.890 175.890 174.417 1.473 17673 559 1 2 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.444 -0.434 17673 560 1 2 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.904 -1.734 17673 561 1 2 . 1 1 36 36 TYR H H 116 9.058 9.058 9.353 -0.295 17673 562 1 2 . 1 1 37 37 THR N N 117 120.780 120.780 118.047 2.733 17673 563 1 2 . 1 1 37 37 THR HA H 117 5.116 5.116 5.393 -0.277 17673 564 1 2 . 1 1 37 37 THR C C 117 173.990 173.990 173.229 0.761 17673 565 1 2 . 1 1 37 37 THR CA C 117 63.060 63.060 61.295 1.765 17673 566 1 2 . 1 1 37 37 THR CB C 117 69.255 69.255 70.995 -1.740 17673 567 1 2 . 1 1 37 37 THR H H 117 9.035 9.035 8.961 0.074 17673 568 1 2 . 1 1 38 38 VAL N N 118 120.000 120.000 119.265 0.735 17673 569 1 2 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.119 0.130 17673 570 1 2 . 1 1 38 38 VAL C C 118 172.390 172.390 173.068 -0.678 17673 571 1 2 . 1 1 38 38 VAL CA C 118 57.740 57.740 58.901 -1.161 17673 572 1 2 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.605 -0.674 17673 573 1 2 . 1 1 38 38 VAL H H 118 9.183 9.183 9.076 0.107 17673 574 1 2 . 1 1 39 39 LYS N N 119 121.000 121.000 121.901 -0.901 17673 575 1 2 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.166 -0.104 17673 576 1 2 . 1 1 39 39 LYS C C 119 178.050 178.050 175.143 2.907 17673 577 1 2 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.266 -0.056 17673 578 1 2 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.968 -1.048 17673 579 1 2 . 1 1 39 39 LYS H H 119 8.802 8.802 8.745 0.057 17673 580 1 2 . 1 1 40 40 PHE N N 120 127.480 127.480 125.513 1.967 17673 581 1 2 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.407 0.339 17673 582 1 2 . 1 1 40 40 PHE C C 120 178.110 178.110 176.941 1.169 17673 583 1 2 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.502 2.108 17673 584 1 2 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.283 1.757 17673 585 1 2 . 1 1 40 40 PHE H H 120 9.634 9.634 9.177 0.457 17673 586 1 2 . 1 1 41 41 TYR N N 121 119.600 119.600 122.589 -2.989 17673 587 1 2 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.190 0.214 17673 588 1 2 . 1 1 41 41 TYR C C 121 174.890 174.890 176.921 -2.031 17673 589 1 2 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.939 -1.027 17673 590 1 2 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.032 -0.592 17673 591 1 2 . 1 1 41 41 TYR H H 121 8.679 8.679 8.402 0.277 17673 592 1 2 . 1 1 42 42 ASP N N 122 117.780 117.780 117.391 0.389 17673 593 1 2 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.522 -0.209 17673 594 1 2 . 1 1 42 42 ASP C C 122 176.810 176.810 177.416 -0.606 17673 595 1 2 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.951 -2.281 17673 596 1 2 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.248 -2.538 17673 597 1 2 . 1 1 42 42 ASP H H 122 7.128 7.128 8.038 -0.910 17673 598 1 2 . 1 1 43 43 GLY N N 123 108.200 108.200 106.298 1.902 17673 599 1 2 . 1 1 43 43 GLY C C 123 173.670 173.670 174.249 -0.579 17673 600 1 2 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.715 0.535 17673 601 1 2 . 1 1 43 43 GLY H H 123 8.242 8.242 8.145 0.097 17673 602 1 2 . 1 1 44 44 VAL N N 124 121.320 121.320 121.387 -0.067 17673 603 1 2 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.072 -0.229 17673 604 1 2 . 1 1 44 44 VAL C C 124 174.610 174.610 175.172 -0.562 17673 605 1 2 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.153 0.817 17673 606 1 2 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.755 -0.515 17673 607 1 2 . 1 1 44 44 VAL H H 124 6.877 6.877 7.847 -0.970 17673 608 1 2 . 1 1 45 45 VAL N N 125 129.030 129.030 124.866 4.164 17673 609 1 2 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.172 0.097 17673 610 1 2 . 1 1 45 45 VAL C C 125 176.640 176.640 175.178 1.462 17673 611 1 2 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.983 0.097 17673 612 1 2 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.545 -1.125 17673 613 1 2 . 1 1 45 45 VAL H H 125 8.529 8.529 8.425 0.104 17673 614 1 2 . 1 1 46 46 GLN N N 126 125.880 125.880 124.871 1.009 17673 615 1 2 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.857 -0.020 17673 616 1 2 . 1 1 46 46 GLN C C 126 173.960 173.960 174.112 -0.152 17673 617 1 2 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.177 0.463 17673 618 1 2 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.304 2.376 17673 619 1 2 . 1 1 46 46 GLN H H 126 8.989 8.989 9.059 -0.070 17673 620 1 2 . 1 1 47 47 THR N N 127 121.970 121.970 118.798 3.172 17673 621 1 2 . 1 1 47 47 THR HA H 127 5.347 5.347 5.385 -0.038 17673 622 1 2 . 1 1 47 47 THR C C 127 174.500 174.500 174.426 0.074 17673 623 1 2 . 1 1 47 47 THR CA C 127 62.730 62.730 61.888 0.842 17673 624 1 2 . 1 1 47 47 THR CB C 127 69.540 69.540 69.674 -0.134 17673 625 1 2 . 1 1 47 47 THR H H 127 8.912 8.912 8.579 0.333 17673 626 1 2 . 1 1 48 48 VAL N N 128 121.810 121.810 119.663 2.147 17673 627 1 2 . 1 1 48 48 VAL HA H 128 5.002 5.002 4.893 0.109 17673 628 1 2 . 1 1 48 48 VAL C C 128 174.840 174.840 173.941 0.899 17673 629 1 2 . 1 1 48 48 VAL CA C 128 59.050 59.050 60.300 -1.250 17673 630 1 2 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.156 0.684 17673 631 1 2 . 1 1 48 48 VAL H H 128 9.513 9.513 9.237 0.276 17673 632 1 2 . 1 1 49 49 LYS N N 129 121.050 121.050 119.180 1.870 17673 633 1 2 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.862 -0.426 17673 634 1 2 . 1 1 49 49 LYS C C 129 178.110 178.110 178.119 -0.009 17673 635 1 2 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.995 2.115 17673 636 1 2 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.309 -0.139 17673 637 1 2 . 1 1 49 49 LYS H H 129 9.021 9.021 8.838 0.183 17673 638 1 2 . 1 1 50 50 HIS N N 130 119.600 119.600 120.870 -1.270 17673 639 1 2 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.433 0.043 17673 640 1 2 . 1 1 50 50 HIS C C 130 176.820 176.820 177.610 -0.790 17673 641 1 2 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.536 0.814 17673 642 1 2 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.205 0.255 17673 643 1 2 . 1 1 50 50 HIS H H 130 8.679 8.679 8.676 0.003 17673 644 1 2 . 1 1 51 51 ILE N N 131 109.320 109.320 113.107 -3.787 17673 645 1 2 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.684 0.576 17673 646 1 2 . 1 1 51 51 ILE C C 131 176.350 176.350 175.660 0.690 17673 647 1 2 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.671 0.039 17673 648 1 2 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.876 1.184 17673 649 1 2 . 1 1 51 51 ILE H H 131 6.790 6.790 8.223 -1.433 17673 650 1 2 . 1 1 52 52 HIS N N 132 121.710 121.710 115.468 6.242 17673 651 1 2 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.936 0.036 17673 652 1 2 . 1 1 52 52 HIS C C 132 172.680 172.680 173.993 -1.313 17673 653 1 2 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.991 -0.881 17673 654 1 2 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.615 0.215 17673 655 1 2 . 1 1 52 52 HIS H H 132 8.064 8.064 7.652 0.412 17673 656 1 2 . 1 1 53 53 VAL N N 133 118.360 118.360 116.976 1.384 17673 657 1 2 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.790 0.214 17673 658 1 2 . 1 1 53 53 VAL C C 133 173.990 173.990 173.975 0.015 17673 659 1 2 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.153 1.147 17673 660 1 2 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.699 -0.649 17673 661 1 2 . 1 1 53 53 VAL H H 133 7.614 7.614 7.392 0.222 17673 662 1 2 . 1 1 54 54 LYS N N 134 123.720 123.720 120.607 3.113 17673 663 1 2 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.694 0.126 17673 664 1 2 . 1 1 54 54 LYS C C 134 173.820 173.820 174.405 -0.585 17673 665 1 2 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.527 0.693 17673 666 1 2 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.807 0.823 17673 667 1 2 . 1 1 54 54 LYS H H 134 9.207 9.207 8.632 0.575 17673 668 1 2 . 1 1 55 55 ALA N N 135 121.610 121.610 121.126 0.484 17673 669 1 2 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.906 0.530 17673 670 1 2 . 1 1 55 55 ALA C C 135 177.670 177.670 177.076 0.594 17673 671 1 2 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.341 -0.141 17673 672 1 2 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.802 0.308 17673 673 1 2 . 1 1 55 55 ALA H H 135 8.560 8.560 8.376 0.184 17673 674 1 2 . 1 1 56 56 PHE N N 136 120.080 120.080 118.123 1.957 17673 675 1 2 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.176 0.087 17673 676 1 2 . 1 1 56 56 PHE C C 136 175.380 175.380 175.699 -0.319 17673 677 1 2 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.251 -0.391 17673 678 1 2 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.391 0.759 17673 679 1 2 . 1 1 56 56 PHE H H 136 8.680 8.680 7.758 0.922 17673 680 1 2 . 1 1 57 57 SER N N 137 117.820 117.820 113.500 4.320 17673 681 1 2 . 1 1 57 57 SER HA H 137 4.367 4.367 4.222 0.145 17673 682 1 2 . 1 1 57 57 SER CA C 137 57.350 57.350 58.782 -1.432 17673 683 1 2 . 1 1 57 57 SER CB C 137 64.220 64.220 63.147 1.073 17673 684 1 2 . 1 1 57 57 SER H H 137 7.298 7.298 7.239 0.059 17673 685 1 2 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.823 0.355 17673 686 1 2 . 1 1 58 58 LYS C C 138 176.260 176.260 177.830 -1.570 17673 687 1 2 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.200 -2.460 17673 688 1 2 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.545 0.254 17673 689 1 2 . 1 1 59 59 ASP N N 139 120.500 120.500 118.390 2.110 17673 690 1 2 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.478 0.047 17673 691 1 2 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.258 -0.619 17673 692 1 2 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.236 -0.256 17673 693 1 2 . 1 1 59 59 ASP H H 139 8.245 8.245 8.483 -0.238 17673 694 1 2 . 1 1 60 60 GLN N N 140 120.290 120.290 116.226 4.064 17673 695 1 2 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.497 -0.250 17673 696 1 2 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.784 1.276 17673 697 1 2 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.427 -3.037 17673 698 1 2 . 1 1 60 60 GLN H H 140 8.212 8.212 7.977 0.235 17673 699 1 2 . 1 1 61 61 ASN N N 141 121.710 121.710 117.978 3.732 17673 700 1 2 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.706 0.015 17673 701 1 2 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.426 -0.347 17673 702 1 2 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.851 -0.941 17673 703 1 2 . 1 1 61 61 ASN H H 141 8.064 8.064 8.508 -0.444 17673 704 1 2 . 1 1 62 62 ILE N N 142 120.890 120.890 117.300 3.590 17673 705 1 2 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.671 -0.499 17673 706 1 2 . 1 1 62 62 ILE C C 142 176.330 176.330 176.685 -0.355 17673 707 1 2 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.987 0.363 17673 708 1 2 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.043 -0.468 17673 709 1 2 . 1 1 62 62 ILE H H 142 8.010 8.010 8.791 -0.781 17673 710 1 2 . 1 1 63 63 VAL N N 143 123.520 123.520 120.671 2.849 17673 711 1 2 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.250 -0.142 17673 712 1 2 . 1 1 63 63 VAL C C 143 176.740 176.740 177.292 -0.552 17673 713 1 2 . 1 1 63 63 VAL CA C 143 62.710 62.710 62.966 -0.256 17673 714 1 2 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.080 -1.510 17673 715 1 2 . 1 1 63 63 VAL H H 143 8.157 8.157 8.810 -0.653 17673 716 1 2 . 1 1 64 64 GLY N N 144 112.060 112.060 109.084 2.976 17673 717 1 2 . 1 1 64 64 GLY C C 144 173.940 173.940 173.978 -0.038 17673 718 1 2 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.603 -1.123 17673 719 1 2 . 1 1 64 64 GLY H H 144 8.408 8.408 8.654 -0.246 17673 720 1 2 . 1 1 65 65 ASN N N 145 118.830 118.830 115.428 3.402 17673 721 1 2 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.667 0.049 17673 722 1 2 . 1 1 65 65 ASN C C 145 175.220 175.220 173.682 1.538 17673 723 1 2 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.164 0.995 17673 724 1 2 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.845 -1.845 17673 725 1 2 . 1 1 65 65 ASN H H 145 8.305 8.305 7.403 0.902 17673 726 1 2 . 1 1 66 66 ALA N N 146 124.400 124.400 125.742 -1.342 17673 727 1 2 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.396 -0.056 17673 728 1 2 . 1 1 66 66 ALA C C 146 177.870 177.870 177.083 0.787 17673 729 1 2 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.285 0.735 17673 730 1 2 . 1 1 66 66 ALA CB C 146 19.090 19.090 17.657 1.433 17673 731 1 2 . 1 1 66 66 ALA H H 146 8.341 8.341 8.698 -0.357 17673 732 1 2 . 1 1 284 284 ALA N N 364 124.540 124.540 126.458 -1.918 17673 733 1 2 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.777 -0.513 17673 734 1 2 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.970 0.685 17673 735 1 2 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.331 -2.201 17673 736 1 2 . 1 1 284 284 ALA H H 364 8.267 8.267 8.640 -0.373 17673 737 1 2 . 1 1 285 285 HIS HA H 365 4.824 4.824 5.011 -0.187 17673 738 1 2 . 1 1 285 285 HIS H H 365 8.447 8.447 7.958 0.489 17673 739 1 2 . 1 1 286 286 SER N N 366 117.450 117.450 113.824 3.626 17673 740 1 2 . 1 1 286 286 SER HA H 366 4.460 4.460 4.686 -0.226 17673 741 1 2 . 1 1 286 286 SER CA C 366 58.330 58.330 56.992 1.337 17673 742 1 2 . 1 1 286 286 SER CB C 366 64.030 64.030 66.239 -2.209 17673 743 1 2 . 1 1 286 286 SER H H 366 8.287 8.287 8.100 0.187 17673 744 1 2 . 1 1 287 287 SER N N 367 117.450 117.450 114.855 2.595 17673 745 1 2 . 1 1 287 287 SER HA H 367 4.460 4.460 4.636 -0.176 17673 746 1 2 . 1 1 287 287 SER CA C 367 58.330 58.330 58.951 -0.621 17673 747 1 2 . 1 1 287 287 SER CB C 367 64.030 64.030 63.567 0.463 17673 748 1 2 . 1 1 287 287 SER H H 367 8.287 8.287 8.481 -0.194 17673 749 1 2 . 1 1 292 292 LYS N N 372 123.390 123.390 122.117 1.273 17673 750 1 2 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.514 -0.166 17673 751 1 2 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.097 0.543 17673 752 1 2 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.886 0.265 17673 753 1 2 . 1 1 292 292 LYS H H 372 8.416 8.416 8.070 0.346 17673 754 1 2 . 1 1 293 293 LYS N N 373 123.390 123.390 121.419 1.971 17673 755 1 2 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.069 0.279 17673 756 1 2 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.716 -0.430 17673 757 1 2 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.412 0.738 17673 758 1 2 . 1 1 293 293 LYS H H 373 8.416 8.416 8.282 0.134 17673 759 1 3 . 1 1 5 5 SER HA H 85 4.436 4.436 4.225 0.211 17673 760 1 3 . 1 1 5 5 SER C C 85 173.840 173.840 172.376 1.464 17673 761 1 3 . 1 1 5 5 SER CA C 85 58.100 58.100 57.870 0.230 17673 762 1 3 . 1 1 5 5 SER CB C 85 64.010 64.010 64.037 -0.027 17673 763 1 3 . 1 1 6 6 GLU N N 86 122.440 122.440 120.829 1.611 17673 764 1 3 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.226 -0.175 17673 765 1 3 . 1 1 6 6 GLU C C 86 175.710 175.710 173.999 1.711 17673 766 1 3 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.248 1.871 17673 767 1 3 . 1 1 6 6 GLU CB C 86 30.746 30.746 32.633 -1.887 17673 768 1 3 . 1 1 6 6 GLU H H 86 8.107 8.107 7.670 0.437 17673 769 1 3 . 1 1 7 7 PHE N N 87 118.700 118.700 122.878 -4.178 17673 770 1 3 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.868 0.005 17673 771 1 3 . 1 1 7 7 PHE C C 87 174.600 174.600 175.048 -0.448 17673 772 1 3 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.211 -0.086 17673 773 1 3 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.455 0.314 17673 774 1 3 . 1 1 7 7 PHE H H 87 7.598 7.598 8.571 -0.973 17673 775 1 3 . 1 1 8 8 GLN N N 88 118.630 118.630 120.716 -2.086 17673 776 1 3 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.659 0.019 17673 777 1 3 . 1 1 8 8 GLN C C 88 175.670 175.670 174.831 0.839 17673 778 1 3 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.733 -0.278 17673 779 1 3 . 1 1 8 8 GLN CB C 88 31.900 31.900 32.038 -0.137 17673 780 1 3 . 1 1 8 8 GLN H H 88 8.906 8.906 8.514 0.392 17673 781 1 3 . 1 1 9 9 ILE N N 89 118.880 118.880 121.015 -2.135 17673 782 1 3 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.631 -0.235 17673 783 1 3 . 1 1 9 9 ILE C C 89 177.130 177.130 176.318 0.812 17673 784 1 3 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.932 -0.240 17673 785 1 3 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.449 -0.019 17673 786 1 3 . 1 1 9 9 ILE H H 89 8.384 8.384 8.410 -0.026 17673 787 1 3 . 1 1 10 10 ASN N N 90 119.090 119.090 118.750 0.340 17673 788 1 3 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.398 -0.154 17673 789 1 3 . 1 1 10 10 ASN C C 90 173.870 173.870 174.026 -0.156 17673 790 1 3 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.785 0.905 17673 791 1 3 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.075 0.325 17673 792 1 3 . 1 1 10 10 ASN H H 90 9.136 9.136 8.924 0.212 17673 793 1 3 . 1 1 11 11 GLU N N 91 122.200 122.200 118.154 4.046 17673 794 1 3 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.630 -0.426 17673 795 1 3 . 1 1 11 11 GLU C C 91 176.040 176.040 175.135 0.905 17673 796 1 3 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.381 3.319 17673 797 1 3 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.770 -1.390 17673 798 1 3 . 1 1 11 11 GLU H H 91 8.157 8.157 7.790 0.367 17673 799 1 3 . 1 1 12 12 GLN N N 92 124.360 124.360 120.589 3.771 17673 800 1 3 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.143 -0.309 17673 801 1 3 . 1 1 12 12 GLN C C 92 174.920 174.920 176.073 -1.153 17673 802 1 3 . 1 1 12 12 GLN CA C 92 55.726 55.726 55.522 0.204 17673 803 1 3 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.572 -0.580 17673 804 1 3 . 1 1 12 12 GLN H H 92 8.605 8.605 8.720 -0.115 17673 805 1 3 . 1 1 13 13 VAL N N 93 118.540 118.540 113.822 4.718 17673 806 1 3 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.332 0.371 17673 807 1 3 . 1 1 13 13 VAL C C 93 174.780 174.780 173.896 0.884 17673 808 1 3 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.998 -0.465 17673 809 1 3 . 1 1 13 13 VAL CB C 93 35.987 35.987 34.953 1.034 17673 810 1 3 . 1 1 13 13 VAL H H 93 8.997 8.997 9.077 -0.080 17673 811 1 3 . 1 1 14 14 LEU N N 94 118.610 118.610 121.077 -2.467 17673 812 1 3 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.070 -0.068 17673 813 1 3 . 1 1 14 14 LEU C C 94 175.290 175.290 175.283 0.007 17673 814 1 3 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.605 0.253 17673 815 1 3 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.994 1.664 17673 816 1 3 . 1 1 14 14 LEU H H 94 8.618 8.618 8.520 0.098 17673 817 1 3 . 1 1 15 15 ALA N N 95 122.870 122.870 126.889 -4.019 17673 818 1 3 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.495 0.370 17673 819 1 3 . 1 1 15 15 ALA C C 95 176.220 176.220 176.788 -0.568 17673 820 1 3 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.156 -0.206 17673 821 1 3 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.689 0.451 17673 822 1 3 . 1 1 15 15 ALA H H 95 9.335 9.335 9.386 -0.051 17673 823 1 3 . 1 1 16 16 SER N N 96 117.200 117.200 118.813 -1.613 17673 824 1 3 . 1 1 16 16 SER HA H 96 4.520 4.520 4.525 -0.005 17673 825 1 3 . 1 1 16 16 SER C C 96 174.250 174.250 173.816 0.434 17673 826 1 3 . 1 1 16 16 SER CA C 96 57.245 57.245 59.180 -1.935 17673 827 1 3 . 1 1 16 16 SER CB C 96 63.974 63.974 63.973 0.001 17673 828 1 3 . 1 1 16 16 SER H H 96 8.513 8.513 9.011 -0.498 17673 829 1 3 . 1 1 17 17 TRP N N 97 125.340 125.340 127.874 -2.534 17673 830 1 3 . 1 1 17 17 TRP HA H 97 5.237 5.237 5.148 0.089 17673 831 1 3 . 1 1 17 17 TRP C C 97 176.630 176.630 176.792 -0.162 17673 832 1 3 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.424 -1.534 17673 833 1 3 . 1 1 17 17 TRP CB C 97 31.020 31.020 32.097 -1.077 17673 834 1 3 . 1 1 17 17 TRP H H 97 8.621 8.621 8.710 -0.089 17673 835 1 3 . 1 1 18 18 SER N N 98 118.120 118.120 118.999 -0.879 17673 836 1 3 . 1 1 18 18 SER HA H 98 3.912 3.912 3.967 -0.055 17673 837 1 3 . 1 1 18 18 SER C C 98 173.650 173.650 175.324 -1.674 17673 838 1 3 . 1 1 18 18 SER CA C 98 59.400 59.400 60.597 -1.197 17673 839 1 3 . 1 1 18 18 SER CB C 98 62.330 62.330 62.983 -0.653 17673 840 1 3 . 1 1 18 18 SER H H 98 6.530 6.530 8.489 -1.959 17673 841 1 3 . 1 1 19 19 ASP N N 99 119.980 119.980 118.471 1.509 17673 842 1 3 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.240 0.200 17673 843 1 3 . 1 1 19 19 ASP C C 99 176.200 176.200 176.640 -0.440 17673 844 1 3 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.922 -2.502 17673 845 1 3 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.355 -1.165 17673 846 1 3 . 1 1 19 19 ASP H H 99 7.834 7.834 7.569 0.265 17673 847 1 3 . 1 1 20 20 SER N N 100 110.670 110.670 109.786 0.884 17673 848 1 3 . 1 1 20 20 SER HA H 100 3.923 3.923 4.475 -0.552 17673 849 1 3 . 1 1 20 20 SER C C 100 173.090 173.090 173.814 -0.724 17673 850 1 3 . 1 1 20 20 SER CA C 100 60.410 60.410 58.908 1.502 17673 851 1 3 . 1 1 20 20 SER CB C 100 62.350 62.350 64.561 -2.211 17673 852 1 3 . 1 1 20 20 SER H H 100 8.127 8.127 8.382 -0.255 17673 853 1 3 . 1 1 21 21 ARG N N 101 120.850 120.850 120.811 0.039 17673 854 1 3 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.362 0.109 17673 855 1 3 . 1 1 21 21 ARG C C 101 174.190 174.190 174.774 -0.584 17673 856 1 3 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.574 0.436 17673 857 1 3 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.646 0.354 17673 858 1 3 . 1 1 21 21 ARG H H 101 8.097 8.097 8.043 0.054 17673 859 1 3 . 1 1 22 22 PHE N N 102 118.370 118.370 119.419 -1.049 17673 860 1 3 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.420 0.413 17673 861 1 3 . 1 1 22 22 PHE C C 102 175.840 175.840 175.705 0.135 17673 862 1 3 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.680 -1.940 17673 863 1 3 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.688 2.332 17673 864 1 3 . 1 1 22 22 PHE H H 102 8.400 8.400 7.674 0.726 17673 865 1 3 . 1 1 23 23 TYR N N 103 119.450 119.450 121.726 -2.276 17673 866 1 3 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.026 0.114 17673 867 1 3 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.859 -0.149 17673 868 1 3 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.151 -0.491 17673 869 1 3 . 1 1 23 23 TYR H H 103 9.263 9.263 8.978 0.285 17673 870 1 3 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.298 -0.270 17673 871 1 3 . 1 1 24 24 PRO C C 104 175.500 175.500 175.876 -0.376 17673 872 1 3 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.748 1.112 17673 873 1 3 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.665 -0.065 17673 874 1 3 . 1 1 25 25 ALA N N 105 124.530 124.530 121.957 2.573 17673 875 1 3 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.033 0.765 17673 876 1 3 . 1 1 25 25 ALA C C 105 174.470 174.470 174.542 -0.072 17673 877 1 3 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.830 0.050 17673 878 1 3 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.540 0.860 17673 879 1 3 . 1 1 25 25 ALA H H 105 9.121 9.121 8.819 0.302 17673 880 1 3 . 1 1 26 26 LYS N N 106 117.940 117.940 120.552 -2.612 17673 881 1 3 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.905 0.312 17673 882 1 3 . 1 1 26 26 LYS C C 106 176.420 176.420 176.094 0.326 17673 883 1 3 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.558 -0.558 17673 884 1 3 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.927 1.153 17673 885 1 3 . 1 1 26 26 LYS H H 106 8.064 8.064 8.454 -0.390 17673 886 1 3 . 1 1 27 27 VAL N N 107 123.950 123.950 126.913 -2.963 17673 887 1 3 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.102 -0.146 17673 888 1 3 . 1 1 27 27 VAL C C 107 177.040 177.040 176.931 0.109 17673 889 1 3 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.609 0.451 17673 890 1 3 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.242 0.688 17673 891 1 3 . 1 1 27 27 VAL H H 107 8.264 8.264 8.867 -0.603 17673 892 1 3 . 1 1 28 28 THR N N 108 121.600 121.600 117.407 4.193 17673 893 1 3 . 1 1 28 28 THR HA H 108 4.680 4.680 4.553 0.127 17673 894 1 3 . 1 1 28 28 THR C C 108 175.270 175.270 174.538 0.732 17673 895 1 3 . 1 1 28 28 THR CA C 108 62.180 62.180 61.376 0.804 17673 896 1 3 . 1 1 28 28 THR CB C 108 68.940 68.940 70.446 -1.506 17673 897 1 3 . 1 1 28 28 THR H H 108 9.633 9.633 8.997 0.636 17673 898 1 3 . 1 1 29 29 ALA N N 109 123.390 123.390 124.322 -0.932 17673 899 1 3 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.611 -0.172 17673 900 1 3 . 1 1 29 29 ALA C C 109 174.910 174.910 174.988 -0.078 17673 901 1 3 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.741 1.669 17673 902 1 3 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.630 0.585 17673 903 1 3 . 1 1 29 29 ALA H H 109 8.058 8.058 7.954 0.104 17673 904 1 3 . 1 1 30 30 VAL N N 110 123.310 123.310 118.875 4.435 17673 905 1 3 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.142 -0.042 17673 906 1 3 . 1 1 30 30 VAL C C 110 175.510 175.510 174.433 1.077 17673 907 1 3 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.982 1.698 17673 908 1 3 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.205 -2.475 17673 909 1 3 . 1 1 30 30 VAL H H 110 8.541 8.541 8.242 0.299 17673 910 1 3 . 1 1 31 31 ASN N N 111 123.230 123.230 124.140 -0.910 17673 911 1 3 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.946 -0.009 17673 912 1 3 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.946 1.149 17673 913 1 3 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.514 -0.964 17673 914 1 3 . 1 1 31 31 ASN H H 111 7.957 7.957 8.599 -0.642 17673 915 1 3 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.927 0.257 17673 916 1 3 . 1 1 32 32 LYS C C 112 176.120 176.120 177.137 -1.017 17673 917 1 3 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.346 -0.036 17673 918 1 3 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.265 -0.355 17673 919 1 3 . 1 1 33 33 ASP N N 113 117.410 117.410 116.584 0.826 17673 920 1 3 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.450 0.082 17673 921 1 3 . 1 1 33 33 ASP C C 113 177.040 177.040 177.125 -0.085 17673 922 1 3 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.003 -2.116 17673 923 1 3 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.118 -1.128 17673 924 1 3 . 1 1 33 33 ASP H H 113 7.867 7.867 8.087 -0.220 17673 925 1 3 . 1 1 34 34 GLY N N 114 107.300 107.300 105.931 1.369 17673 926 1 3 . 1 1 34 34 GLY C C 114 174.640 174.640 173.333 1.307 17673 927 1 3 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.847 0.943 17673 928 1 3 . 1 1 34 34 GLY H H 114 7.944 7.944 8.019 -0.075 17673 929 1 3 . 1 1 35 35 THR N N 115 108.940 108.940 111.710 -2.770 17673 930 1 3 . 1 1 35 35 THR HA H 115 4.824 4.824 5.361 -0.537 17673 931 1 3 . 1 1 35 35 THR C C 115 173.650 173.650 172.232 1.418 17673 932 1 3 . 1 1 35 35 THR CA C 115 60.640 60.640 59.782 0.858 17673 933 1 3 . 1 1 35 35 THR CB C 115 72.740 72.740 72.212 0.528 17673 934 1 3 . 1 1 35 35 THR H H 115 7.381 7.381 7.789 -0.408 17673 935 1 3 . 1 1 36 36 TYR N N 116 116.170 116.170 117.831 -1.661 17673 936 1 3 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.973 0.202 17673 937 1 3 . 1 1 36 36 TYR C C 116 175.890 175.890 174.319 1.571 17673 938 1 3 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.530 -0.520 17673 939 1 3 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.998 -1.828 17673 940 1 3 . 1 1 36 36 TYR H H 116 9.058 9.058 9.317 -0.259 17673 941 1 3 . 1 1 37 37 THR N N 117 120.780 120.780 118.749 2.031 17673 942 1 3 . 1 1 37 37 THR HA H 117 5.116 5.116 5.343 -0.227 17673 943 1 3 . 1 1 37 37 THR C C 117 173.990 173.990 173.165 0.825 17673 944 1 3 . 1 1 37 37 THR CA C 117 63.060 63.060 61.206 1.854 17673 945 1 3 . 1 1 37 37 THR CB C 117 69.255 69.255 70.891 -1.636 17673 946 1 3 . 1 1 37 37 THR H H 117 9.035 9.035 8.956 0.079 17673 947 1 3 . 1 1 38 38 VAL N N 118 120.000 120.000 120.685 -0.685 17673 948 1 3 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.051 0.198 17673 949 1 3 . 1 1 38 38 VAL C C 118 172.390 172.390 173.092 -0.702 17673 950 1 3 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.502 -1.762 17673 951 1 3 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.553 -0.623 17673 952 1 3 . 1 1 38 38 VAL H H 118 9.183 9.183 9.039 0.144 17673 953 1 3 . 1 1 39 39 LYS N N 119 121.000 121.000 122.070 -1.070 17673 954 1 3 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.030 0.032 17673 955 1 3 . 1 1 39 39 LYS C C 119 178.050 178.050 175.055 2.995 17673 956 1 3 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.210 -0.000 17673 957 1 3 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.738 -0.818 17673 958 1 3 . 1 1 39 39 LYS H H 119 8.802 8.802 8.755 0.047 17673 959 1 3 . 1 1 40 40 PHE N N 120 127.480 127.480 125.282 2.198 17673 960 1 3 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.270 0.476 17673 961 1 3 . 1 1 40 40 PHE C C 120 178.110 178.110 176.931 1.179 17673 962 1 3 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.271 2.339 17673 963 1 3 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.913 2.127 17673 964 1 3 . 1 1 40 40 PHE H H 120 9.634 9.634 9.033 0.602 17673 965 1 3 . 1 1 41 41 TYR N N 121 119.600 119.600 122.256 -2.656 17673 966 1 3 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.239 0.165 17673 967 1 3 . 1 1 41 41 TYR C C 121 174.890 174.890 176.831 -1.941 17673 968 1 3 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.718 -0.806 17673 969 1 3 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.044 -0.604 17673 970 1 3 . 1 1 41 41 TYR H H 121 8.679 8.679 8.242 0.437 17673 971 1 3 . 1 1 42 42 ASP N N 122 117.780 117.780 117.443 0.337 17673 972 1 3 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.510 -0.197 17673 973 1 3 . 1 1 42 42 ASP C C 122 176.810 176.810 177.367 -0.557 17673 974 1 3 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.920 -2.250 17673 975 1 3 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.243 -2.533 17673 976 1 3 . 1 1 42 42 ASP H H 122 7.128 7.128 7.944 -0.816 17673 977 1 3 . 1 1 43 43 GLY N N 123 108.200 108.200 106.322 1.878 17673 978 1 3 . 1 1 43 43 GLY C C 123 173.670 173.670 174.212 -0.542 17673 979 1 3 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.716 0.534 17673 980 1 3 . 1 1 43 43 GLY H H 123 8.242 8.242 7.831 0.411 17673 981 1 3 . 1 1 44 44 VAL N N 124 121.320 121.320 122.322 -1.002 17673 982 1 3 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.141 -0.298 17673 983 1 3 . 1 1 44 44 VAL C C 124 174.610 174.610 175.432 -0.822 17673 984 1 3 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.963 1.007 17673 985 1 3 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.614 -0.374 17673 986 1 3 . 1 1 44 44 VAL H H 124 6.877 6.877 7.865 -0.988 17673 987 1 3 . 1 1 45 45 VAL N N 125 129.030 129.030 124.454 4.576 17673 988 1 3 . 1 1 45 45 VAL HA H 125 5.269 5.269 4.977 0.292 17673 989 1 3 . 1 1 45 45 VAL C C 125 176.640 176.640 175.241 1.399 17673 990 1 3 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.780 0.300 17673 991 1 3 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.120 -1.700 17673 992 1 3 . 1 1 45 45 VAL H H 125 8.529 8.529 8.409 0.120 17673 993 1 3 . 1 1 46 46 GLN N N 126 125.880 125.880 124.380 1.500 17673 994 1 3 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.864 -0.027 17673 995 1 3 . 1 1 46 46 GLN C C 126 173.960 173.960 174.076 -0.116 17673 996 1 3 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.128 0.512 17673 997 1 3 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.323 2.357 17673 998 1 3 . 1 1 46 46 GLN H H 126 8.989 8.989 9.020 -0.031 17673 999 1 3 . 1 1 47 47 THR N N 127 121.970 121.970 118.976 2.994 17673 1000 1 3 . 1 1 47 47 THR HA H 127 5.347 5.347 5.396 -0.049 17673 1001 1 3 . 1 1 47 47 THR C C 127 174.500 174.500 174.278 0.222 17673 1002 1 3 . 1 1 47 47 THR CA C 127 62.730 62.730 61.674 1.056 17673 1003 1 3 . 1 1 47 47 THR CB C 127 69.540 69.540 69.708 -0.168 17673 1004 1 3 . 1 1 47 47 THR H H 127 8.912 8.912 8.569 0.343 17673 1005 1 3 . 1 1 48 48 VAL N N 128 121.810 121.810 120.206 1.604 17673 1006 1 3 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.034 -0.032 17673 1007 1 3 . 1 1 48 48 VAL C C 128 174.840 174.840 174.070 0.770 17673 1008 1 3 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.535 -0.485 17673 1009 1 3 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.723 0.117 17673 1010 1 3 . 1 1 48 48 VAL H H 128 9.513 9.513 9.283 0.230 17673 1011 1 3 . 1 1 49 49 LYS N N 129 121.050 121.050 118.859 2.191 17673 1012 1 3 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.942 -0.506 17673 1013 1 3 . 1 1 49 49 LYS C C 129 178.110 178.110 178.199 -0.089 17673 1014 1 3 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.993 2.116 17673 1015 1 3 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.231 -0.061 17673 1016 1 3 . 1 1 49 49 LYS H H 129 9.021 9.021 8.758 0.263 17673 1017 1 3 . 1 1 50 50 HIS N N 130 119.600 119.600 120.922 -1.322 17673 1018 1 3 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.427 0.049 17673 1019 1 3 . 1 1 50 50 HIS C C 130 176.820 176.820 177.597 -0.777 17673 1020 1 3 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.654 0.696 17673 1021 1 3 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.216 0.244 17673 1022 1 3 . 1 1 50 50 HIS H H 130 8.679 8.679 8.703 -0.024 17673 1023 1 3 . 1 1 51 51 ILE N N 131 109.320 109.320 112.933 -3.613 17673 1024 1 3 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.658 0.602 17673 1025 1 3 . 1 1 51 51 ILE C C 131 176.350 176.350 175.508 0.842 17673 1026 1 3 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.551 0.159 17673 1027 1 3 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.769 1.291 17673 1028 1 3 . 1 1 51 51 ILE H H 131 6.790 6.790 8.234 -1.444 17673 1029 1 3 . 1 1 52 52 HIS N N 132 121.710 121.710 115.731 5.979 17673 1030 1 3 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.832 0.140 17673 1031 1 3 . 1 1 52 52 HIS C C 132 172.680 172.680 173.925 -1.245 17673 1032 1 3 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.914 -0.804 17673 1033 1 3 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.541 0.289 17673 1034 1 3 . 1 1 52 52 HIS H H 132 8.064 8.064 7.693 0.371 17673 1035 1 3 . 1 1 53 53 VAL N N 133 118.360 118.360 118.216 0.144 17673 1036 1 3 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.058 -0.054 17673 1037 1 3 . 1 1 53 53 VAL C C 133 173.990 173.990 173.979 0.011 17673 1038 1 3 . 1 1 53 53 VAL CA C 133 61.300 61.300 61.014 0.286 17673 1039 1 3 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.106 -1.056 17673 1040 1 3 . 1 1 53 53 VAL H H 133 7.614 7.614 7.604 0.010 17673 1041 1 3 . 1 1 54 54 LYS N N 134 123.720 123.720 122.469 1.251 17673 1042 1 3 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.741 0.079 17673 1043 1 3 . 1 1 54 54 LYS C C 134 173.820 173.820 174.373 -0.553 17673 1044 1 3 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.535 0.685 17673 1045 1 3 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.754 0.876 17673 1046 1 3 . 1 1 54 54 LYS H H 134 9.207 9.207 8.848 0.359 17673 1047 1 3 . 1 1 55 55 ALA N N 135 121.610 121.610 121.326 0.284 17673 1048 1 3 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.909 0.527 17673 1049 1 3 . 1 1 55 55 ALA C C 135 177.670 177.670 176.955 0.715 17673 1050 1 3 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.385 -0.185 17673 1051 1 3 . 1 1 55 55 ALA CB C 135 19.110 19.110 19.033 0.077 17673 1052 1 3 . 1 1 55 55 ALA H H 135 8.560 8.560 8.388 0.172 17673 1053 1 3 . 1 1 56 56 PHE N N 136 120.080 120.080 118.280 1.800 17673 1054 1 3 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.121 0.142 17673 1055 1 3 . 1 1 56 56 PHE C C 136 175.380 175.380 175.739 -0.359 17673 1056 1 3 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.292 -0.432 17673 1057 1 3 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.303 0.847 17673 1058 1 3 . 1 1 56 56 PHE H H 136 8.680 8.680 7.470 1.210 17673 1059 1 3 . 1 1 57 57 SER N N 137 117.820 117.820 113.605 4.215 17673 1060 1 3 . 1 1 57 57 SER HA H 137 4.367 4.367 4.191 0.176 17673 1061 1 3 . 1 1 57 57 SER CA C 137 57.350 57.350 58.951 -1.601 17673 1062 1 3 . 1 1 57 57 SER CB C 137 64.220 64.220 63.558 0.662 17673 1063 1 3 . 1 1 57 57 SER H H 137 7.298 7.298 7.526 -0.228 17673 1064 1 3 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.724 0.454 17673 1065 1 3 . 1 1 58 58 LYS C C 138 176.260 176.260 177.821 -1.561 17673 1066 1 3 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.197 -2.457 17673 1067 1 3 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.385 0.415 17673 1068 1 3 . 1 1 59 59 ASP N N 139 120.500 120.500 118.857 1.643 17673 1069 1 3 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.376 0.149 17673 1070 1 3 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.619 -0.979 17673 1071 1 3 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.273 -0.293 17673 1072 1 3 . 1 1 59 59 ASP H H 139 8.245 8.245 8.478 -0.233 17673 1073 1 3 . 1 1 60 60 GLN N N 140 120.290 120.290 115.252 5.038 17673 1074 1 3 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.482 -0.235 17673 1075 1 3 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.716 1.344 17673 1076 1 3 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.137 -2.747 17673 1077 1 3 . 1 1 60 60 GLN H H 140 8.212 8.212 8.041 0.171 17673 1078 1 3 . 1 1 61 61 ASN N N 141 121.710 121.710 118.680 3.030 17673 1079 1 3 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.757 -0.036 17673 1080 1 3 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.064 -0.985 17673 1081 1 3 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.400 -0.490 17673 1082 1 3 . 1 1 61 61 ASN H H 141 8.064 8.064 8.778 -0.714 17673 1083 1 3 . 1 1 62 62 ILE N N 142 120.890 120.890 119.556 1.334 17673 1084 1 3 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.523 -0.351 17673 1085 1 3 . 1 1 62 62 ILE C C 142 176.330 176.330 175.215 1.115 17673 1086 1 3 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.681 -0.331 17673 1087 1 3 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.555 0.020 17673 1088 1 3 . 1 1 62 62 ILE H H 142 8.010 8.010 8.865 -0.855 17673 1089 1 3 . 1 1 63 63 VAL N N 143 123.520 123.520 120.774 2.746 17673 1090 1 3 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.337 -0.229 17673 1091 1 3 . 1 1 63 63 VAL C C 143 176.740 176.740 176.811 -0.071 17673 1092 1 3 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.086 -0.376 17673 1093 1 3 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.063 -1.493 17673 1094 1 3 . 1 1 63 63 VAL H H 143 8.157 8.157 8.783 -0.626 17673 1095 1 3 . 1 1 64 64 GLY N N 144 112.060 112.060 109.187 2.873 17673 1096 1 3 . 1 1 64 64 GLY C C 144 173.940 173.940 174.429 -0.489 17673 1097 1 3 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.249 -0.770 17673 1098 1 3 . 1 1 64 64 GLY H H 144 8.408 8.408 8.586 -0.178 17673 1099 1 3 . 1 1 65 65 ASN N N 145 118.830 118.830 115.568 3.262 17673 1100 1 3 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.727 -0.011 17673 1101 1 3 . 1 1 65 65 ASN C C 145 175.220 175.220 173.160 2.060 17673 1102 1 3 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.426 0.734 17673 1103 1 3 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.924 -1.924 17673 1104 1 3 . 1 1 65 65 ASN H H 145 8.305 8.305 7.597 0.708 17673 1105 1 3 . 1 1 66 66 ALA N N 146 124.400 124.400 121.756 2.644 17673 1106 1 3 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.514 -0.174 17673 1107 1 3 . 1 1 66 66 ALA C C 146 177.870 177.870 176.925 0.945 17673 1108 1 3 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.572 1.448 17673 1109 1 3 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.287 -0.197 17673 1110 1 3 . 1 1 66 66 ALA H H 146 8.341 8.341 8.549 -0.208 17673 1111 1 3 . 1 1 284 284 ALA N N 364 124.540 124.540 126.655 -2.115 17673 1112 1 3 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.697 -0.433 17673 1113 1 3 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.949 0.706 17673 1114 1 3 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.238 -2.108 17673 1115 1 3 . 1 1 284 284 ALA H H 364 8.267 8.267 8.552 -0.285 17673 1116 1 3 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.923 -0.099 17673 1117 1 3 . 1 1 285 285 HIS H H 365 8.447 8.447 7.927 0.520 17673 1118 1 3 . 1 1 286 286 SER N N 366 117.450 117.450 113.700 3.750 17673 1119 1 3 . 1 1 286 286 SER HA H 366 4.460 4.460 4.627 -0.167 17673 1120 1 3 . 1 1 286 286 SER CA C 366 58.330 58.330 57.081 1.249 17673 1121 1 3 . 1 1 286 286 SER CB C 366 64.030 64.030 66.117 -2.087 17673 1122 1 3 . 1 1 286 286 SER H H 366 8.287 8.287 8.136 0.151 17673 1123 1 3 . 1 1 287 287 SER N N 367 117.450 117.450 114.751 2.699 17673 1124 1 3 . 1 1 287 287 SER HA H 367 4.460 4.460 4.564 -0.104 17673 1125 1 3 . 1 1 287 287 SER CA C 367 58.330 58.330 58.456 -0.126 17673 1126 1 3 . 1 1 287 287 SER CB C 367 64.030 64.030 63.688 0.342 17673 1127 1 3 . 1 1 287 287 SER H H 367 8.287 8.287 8.316 -0.029 17673 1128 1 3 . 1 1 292 292 LYS N N 372 123.390 123.390 123.033 0.357 17673 1129 1 3 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.143 0.205 17673 1130 1 3 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.691 -1.051 17673 1131 1 3 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.671 0.479 17673 1132 1 3 . 1 1 292 292 LYS H H 372 8.416 8.416 8.398 0.018 17673 1133 1 3 . 1 1 293 293 LYS N N 373 123.390 123.390 118.398 4.992 17673 1134 1 3 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.188 0.160 17673 1135 1 3 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.091 0.195 17673 1136 1 3 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.407 0.743 17673 1137 1 3 . 1 1 293 293 LYS H H 373 8.416 8.416 8.047 0.369 17673 1138 1 4 . 1 1 5 5 SER HA H 85 4.436 4.436 3.782 0.654 17673 1139 1 4 . 1 1 5 5 SER C C 85 173.840 173.840 172.290 1.550 17673 1140 1 4 . 1 1 5 5 SER CA C 85 58.100 58.100 58.465 -0.365 17673 1141 1 4 . 1 1 5 5 SER CB C 85 64.010 64.010 63.063 0.947 17673 1142 1 4 . 1 1 6 6 GLU N N 86 122.440 122.440 119.771 2.669 17673 1143 1 4 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.243 -0.192 17673 1144 1 4 . 1 1 6 6 GLU C C 86 175.710 175.710 174.616 1.094 17673 1145 1 4 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.221 1.898 17673 1146 1 4 . 1 1 6 6 GLU CB C 86 30.746 30.746 30.990 -0.244 17673 1147 1 4 . 1 1 6 6 GLU H H 86 8.107 8.107 7.573 0.534 17673 1148 1 4 . 1 1 7 7 PHE N N 87 118.700 118.700 123.960 -5.260 17673 1149 1 4 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.692 0.181 17673 1150 1 4 . 1 1 7 7 PHE C C 87 174.600 174.600 175.170 -0.570 17673 1151 1 4 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.696 -0.571 17673 1152 1 4 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.142 0.627 17673 1153 1 4 . 1 1 7 7 PHE H H 87 7.598 7.598 8.454 -0.856 17673 1154 1 4 . 1 1 8 8 GLN N N 88 118.630 118.630 120.083 -1.453 17673 1155 1 4 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.641 0.037 17673 1156 1 4 . 1 1 8 8 GLN C C 88 175.670 175.670 174.833 0.837 17673 1157 1 4 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.730 -0.275 17673 1158 1 4 . 1 1 8 8 GLN CB C 88 31.900 31.900 32.089 -0.189 17673 1159 1 4 . 1 1 8 8 GLN H H 88 8.906 8.906 8.380 0.526 17673 1160 1 4 . 1 1 9 9 ILE N N 89 118.880 118.880 121.163 -2.283 17673 1161 1 4 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.709 -0.313 17673 1162 1 4 . 1 1 9 9 ILE C C 89 177.130 177.130 176.523 0.607 17673 1163 1 4 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.889 -0.197 17673 1164 1 4 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.533 -0.103 17673 1165 1 4 . 1 1 9 9 ILE H H 89 8.384 8.384 8.317 0.067 17673 1166 1 4 . 1 1 10 10 ASN N N 90 119.090 119.090 119.833 -0.743 17673 1167 1 4 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.321 -0.077 17673 1168 1 4 . 1 1 10 10 ASN C C 90 173.870 173.870 173.853 0.017 17673 1169 1 4 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.802 0.888 17673 1170 1 4 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.559 -0.159 17673 1171 1 4 . 1 1 10 10 ASN H H 90 9.136 9.136 9.053 0.083 17673 1172 1 4 . 1 1 11 11 GLU N N 91 122.200 122.200 118.230 3.970 17673 1173 1 4 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.670 -0.466 17673 1174 1 4 . 1 1 11 11 GLU C C 91 176.040 176.040 174.784 1.256 17673 1175 1 4 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.153 3.547 17673 1176 1 4 . 1 1 11 11 GLU CB C 91 31.380 31.380 33.086 -1.706 17673 1177 1 4 . 1 1 11 11 GLU H H 91 8.157 8.157 7.790 0.367 17673 1178 1 4 . 1 1 12 12 GLN N N 92 124.360 124.360 121.307 3.053 17673 1179 1 4 . 1 1 12 12 GLN HA H 92 4.834 4.834 4.907 -0.073 17673 1180 1 4 . 1 1 12 12 GLN C C 92 174.920 174.920 175.978 -1.058 17673 1181 1 4 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.723 -1.997 17673 1182 1 4 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.800 -0.808 17673 1183 1 4 . 1 1 12 12 GLN H H 92 8.605 8.605 8.752 -0.147 17673 1184 1 4 . 1 1 13 13 VAL N N 93 118.540 118.540 114.488 4.052 17673 1185 1 4 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.398 0.305 17673 1186 1 4 . 1 1 13 13 VAL C C 93 174.780 174.780 173.911 0.869 17673 1187 1 4 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.338 -0.805 17673 1188 1 4 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.245 0.742 17673 1189 1 4 . 1 1 13 13 VAL H H 93 8.997 8.997 9.085 -0.088 17673 1190 1 4 . 1 1 14 14 LEU N N 94 118.610 118.610 121.264 -2.654 17673 1191 1 4 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.142 -0.140 17673 1192 1 4 . 1 1 14 14 LEU C C 94 175.290 175.290 175.571 -0.281 17673 1193 1 4 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.749 0.109 17673 1194 1 4 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.059 1.599 17673 1195 1 4 . 1 1 14 14 LEU H H 94 8.618 8.618 8.651 -0.033 17673 1196 1 4 . 1 1 15 15 ALA N N 95 122.870 122.870 126.419 -3.549 17673 1197 1 4 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.553 0.312 17673 1198 1 4 . 1 1 15 15 ALA C C 95 176.220 176.220 176.719 -0.499 17673 1199 1 4 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.367 -0.417 17673 1200 1 4 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.777 0.363 17673 1201 1 4 . 1 1 15 15 ALA H H 95 9.335 9.335 9.424 -0.089 17673 1202 1 4 . 1 1 16 16 SER N N 96 117.200 117.200 119.705 -2.505 17673 1203 1 4 . 1 1 16 16 SER HA H 96 4.520 4.520 4.630 -0.110 17673 1204 1 4 . 1 1 16 16 SER C C 96 174.250 174.250 173.665 0.585 17673 1205 1 4 . 1 1 16 16 SER CA C 96 57.245 57.245 59.529 -2.284 17673 1206 1 4 . 1 1 16 16 SER CB C 96 63.974 63.974 63.701 0.273 17673 1207 1 4 . 1 1 16 16 SER H H 96 8.513 8.513 8.956 -0.443 17673 1208 1 4 . 1 1 17 17 TRP N N 97 125.340 125.340 129.353 -4.013 17673 1209 1 4 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.869 0.368 17673 1210 1 4 . 1 1 17 17 TRP C C 97 176.630 176.630 176.755 -0.125 17673 1211 1 4 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.517 -1.627 17673 1212 1 4 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.745 0.275 17673 1213 1 4 . 1 1 17 17 TRP H H 97 8.621 8.621 8.992 -0.371 17673 1214 1 4 . 1 1 18 18 SER N N 98 118.120 118.120 118.855 -0.735 17673 1215 1 4 . 1 1 18 18 SER HA H 98 3.912 3.912 3.951 -0.039 17673 1216 1 4 . 1 1 18 18 SER C C 98 173.650 173.650 175.324 -1.674 17673 1217 1 4 . 1 1 18 18 SER CA C 98 59.400 59.400 60.565 -1.165 17673 1218 1 4 . 1 1 18 18 SER CB C 98 62.330 62.330 62.950 -0.620 17673 1219 1 4 . 1 1 18 18 SER H H 98 6.530 6.530 8.384 -1.854 17673 1220 1 4 . 1 1 19 19 ASP N N 99 119.980 119.980 118.348 1.632 17673 1221 1 4 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.249 0.191 17673 1222 1 4 . 1 1 19 19 ASP C C 99 176.200 176.200 176.624 -0.424 17673 1223 1 4 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.916 -2.496 17673 1224 1 4 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.360 -1.170 17673 1225 1 4 . 1 1 19 19 ASP H H 99 7.834 7.834 7.561 0.273 17673 1226 1 4 . 1 1 20 20 SER N N 100 110.670 110.670 109.775 0.895 17673 1227 1 4 . 1 1 20 20 SER HA H 100 3.923 3.923 4.483 -0.560 17673 1228 1 4 . 1 1 20 20 SER C C 100 173.090 173.090 173.791 -0.701 17673 1229 1 4 . 1 1 20 20 SER CA C 100 60.410 60.410 58.922 1.488 17673 1230 1 4 . 1 1 20 20 SER CB C 100 62.350 62.350 64.555 -2.205 17673 1231 1 4 . 1 1 20 20 SER H H 100 8.127 8.127 8.379 -0.252 17673 1232 1 4 . 1 1 21 21 ARG N N 101 120.850 120.850 120.605 0.245 17673 1233 1 4 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.379 0.092 17673 1234 1 4 . 1 1 21 21 ARG C C 101 174.190 174.190 174.703 -0.513 17673 1235 1 4 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.681 0.329 17673 1236 1 4 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.689 0.310 17673 1237 1 4 . 1 1 21 21 ARG H H 101 8.097 8.097 8.100 -0.003 17673 1238 1 4 . 1 1 22 22 PHE N N 102 118.370 118.370 119.663 -1.293 17673 1239 1 4 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.498 0.335 17673 1240 1 4 . 1 1 22 22 PHE C C 102 175.840 175.840 176.046 -0.206 17673 1241 1 4 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.349 -1.609 17673 1242 1 4 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.684 2.336 17673 1243 1 4 . 1 1 22 22 PHE H H 102 8.400 8.400 7.758 0.642 17673 1244 1 4 . 1 1 23 23 TYR N N 103 119.450 119.450 120.684 -1.234 17673 1245 1 4 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.413 -0.273 17673 1246 1 4 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.417 0.293 17673 1247 1 4 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.467 -0.807 17673 1248 1 4 . 1 1 23 23 TYR H H 103 9.263 9.263 8.855 0.408 17673 1249 1 4 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.310 -0.282 17673 1250 1 4 . 1 1 24 24 PRO C C 104 175.500 175.500 175.851 -0.351 17673 1251 1 4 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.812 1.048 17673 1252 1 4 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.655 -0.055 17673 1253 1 4 . 1 1 25 25 ALA N N 105 124.530 124.530 122.673 1.857 17673 1254 1 4 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.241 0.557 17673 1255 1 4 . 1 1 25 25 ALA C C 105 174.470 174.470 174.744 -0.274 17673 1256 1 4 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.949 -0.069 17673 1257 1 4 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.342 1.058 17673 1258 1 4 . 1 1 25 25 ALA H H 105 9.121 9.121 8.832 0.289 17673 1259 1 4 . 1 1 26 26 LYS N N 106 117.940 117.940 118.527 -0.587 17673 1260 1 4 . 1 1 26 26 LYS HA H 106 5.217 5.217 5.131 0.086 17673 1261 1 4 . 1 1 26 26 LYS C C 106 176.420 176.420 175.954 0.466 17673 1262 1 4 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.118 -0.118 17673 1263 1 4 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.067 1.013 17673 1264 1 4 . 1 1 26 26 LYS H H 106 8.064 8.064 8.540 -0.476 17673 1265 1 4 . 1 1 27 27 VAL N N 107 123.950 123.950 123.261 0.689 17673 1266 1 4 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.142 -0.186 17673 1267 1 4 . 1 1 27 27 VAL C C 107 177.040 177.040 176.925 0.115 17673 1268 1 4 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.918 0.142 17673 1269 1 4 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.779 0.151 17673 1270 1 4 . 1 1 27 27 VAL H H 107 8.264 8.264 8.763 -0.499 17673 1271 1 4 . 1 1 28 28 THR N N 108 121.600 121.600 118.740 2.860 17673 1272 1 4 . 1 1 28 28 THR HA H 108 4.680 4.680 4.524 0.156 17673 1273 1 4 . 1 1 28 28 THR C C 108 175.270 175.270 174.073 1.197 17673 1274 1 4 . 1 1 28 28 THR CA C 108 62.180 62.180 61.846 0.334 17673 1275 1 4 . 1 1 28 28 THR CB C 108 68.940 68.940 70.254 -1.314 17673 1276 1 4 . 1 1 28 28 THR H H 108 9.633 9.633 8.953 0.680 17673 1277 1 4 . 1 1 29 29 ALA N N 109 123.390 123.390 124.111 -0.721 17673 1278 1 4 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.645 -0.206 17673 1279 1 4 . 1 1 29 29 ALA C C 109 174.910 174.910 174.862 0.048 17673 1280 1 4 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.566 1.843 17673 1281 1 4 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.776 0.439 17673 1282 1 4 . 1 1 29 29 ALA H H 109 8.058 8.058 7.717 0.341 17673 1283 1 4 . 1 1 30 30 VAL N N 110 123.310 123.310 118.441 4.869 17673 1284 1 4 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.129 -0.029 17673 1285 1 4 . 1 1 30 30 VAL C C 110 175.510 175.510 174.381 1.129 17673 1286 1 4 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.931 1.750 17673 1287 1 4 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.192 -2.462 17673 1288 1 4 . 1 1 30 30 VAL H H 110 8.541 8.541 8.217 0.324 17673 1289 1 4 . 1 1 31 31 ASN N N 111 123.230 123.230 122.848 0.382 17673 1290 1 4 . 1 1 31 31 ASN HA H 111 4.937 4.937 5.010 -0.073 17673 1291 1 4 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.065 1.030 17673 1292 1 4 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.693 -1.143 17673 1293 1 4 . 1 1 31 31 ASN H H 111 7.957 7.957 8.476 -0.519 17673 1294 1 4 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.965 0.219 17673 1295 1 4 . 1 1 32 32 LYS C C 112 176.120 176.120 177.131 -1.011 17673 1296 1 4 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.329 -0.019 17673 1297 1 4 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.265 -0.355 17673 1298 1 4 . 1 1 33 33 ASP N N 113 117.410 117.410 116.441 0.969 17673 1299 1 4 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.467 0.065 17673 1300 1 4 . 1 1 33 33 ASP C C 113 177.040 177.040 177.101 -0.061 17673 1301 1 4 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.864 -1.977 17673 1302 1 4 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.131 -1.141 17673 1303 1 4 . 1 1 33 33 ASP H H 113 7.867 7.867 8.084 -0.217 17673 1304 1 4 . 1 1 34 34 GLY N N 114 107.300 107.300 106.149 1.151 17673 1305 1 4 . 1 1 34 34 GLY C C 114 174.640 174.640 173.449 1.191 17673 1306 1 4 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.852 0.938 17673 1307 1 4 . 1 1 34 34 GLY H H 114 7.944 7.944 8.002 -0.058 17673 1308 1 4 . 1 1 35 35 THR N N 115 108.940 108.940 111.837 -2.897 17673 1309 1 4 . 1 1 35 35 THR HA H 115 4.824 4.824 5.394 -0.570 17673 1310 1 4 . 1 1 35 35 THR C C 115 173.650 173.650 172.339 1.311 17673 1311 1 4 . 1 1 35 35 THR CA C 115 60.640 60.640 59.771 0.869 17673 1312 1 4 . 1 1 35 35 THR CB C 115 72.740 72.740 72.127 0.613 17673 1313 1 4 . 1 1 35 35 THR H H 115 7.381 7.381 7.627 -0.246 17673 1314 1 4 . 1 1 36 36 TYR N N 116 116.170 116.170 118.239 -2.069 17673 1315 1 4 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.945 0.230 17673 1316 1 4 . 1 1 36 36 TYR C C 116 175.890 175.890 174.179 1.711 17673 1317 1 4 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.556 -0.546 17673 1318 1 4 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.908 -1.738 17673 1319 1 4 . 1 1 36 36 TYR H H 116 9.058 9.058 9.324 -0.266 17673 1320 1 4 . 1 1 37 37 THR N N 117 120.780 120.780 118.605 2.175 17673 1321 1 4 . 1 1 37 37 THR HA H 117 5.116 5.116 5.443 -0.327 17673 1322 1 4 . 1 1 37 37 THR C C 117 173.990 173.990 173.252 0.738 17673 1323 1 4 . 1 1 37 37 THR CA C 117 63.060 63.060 61.060 2.000 17673 1324 1 4 . 1 1 37 37 THR CB C 117 69.255 69.255 71.143 -1.888 17673 1325 1 4 . 1 1 37 37 THR H H 117 9.035 9.035 8.962 0.073 17673 1326 1 4 . 1 1 38 38 VAL N N 118 120.000 120.000 118.719 1.281 17673 1327 1 4 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.061 0.188 17673 1328 1 4 . 1 1 38 38 VAL C C 118 172.390 172.390 172.972 -0.582 17673 1329 1 4 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.010 -1.270 17673 1330 1 4 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.569 -0.639 17673 1331 1 4 . 1 1 38 38 VAL H H 118 9.183 9.183 8.941 0.242 17673 1332 1 4 . 1 1 39 39 LYS N N 119 121.000 121.000 121.178 -0.178 17673 1333 1 4 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.093 -0.031 17673 1334 1 4 . 1 1 39 39 LYS C C 119 178.050 178.050 175.236 2.814 17673 1335 1 4 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.254 -0.044 17673 1336 1 4 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.248 -1.328 17673 1337 1 4 . 1 1 39 39 LYS H H 119 8.802 8.802 8.656 0.146 17673 1338 1 4 . 1 1 40 40 PHE N N 120 127.480 127.480 124.199 3.281 17673 1339 1 4 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.370 0.376 17673 1340 1 4 . 1 1 40 40 PHE C C 120 178.110 178.110 177.431 0.679 17673 1341 1 4 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.589 2.021 17673 1342 1 4 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.598 2.442 17673 1343 1 4 . 1 1 40 40 PHE H H 120 9.634 9.634 9.032 0.602 17673 1344 1 4 . 1 1 41 41 TYR N N 121 119.600 119.600 122.341 -2.741 17673 1345 1 4 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.223 0.181 17673 1346 1 4 . 1 1 41 41 TYR C C 121 174.890 174.890 177.345 -2.455 17673 1347 1 4 . 1 1 41 41 TYR CA C 121 59.912 59.912 61.676 -1.764 17673 1348 1 4 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.085 -0.645 17673 1349 1 4 . 1 1 41 41 TYR H H 121 8.679 8.679 8.937 -0.258 17673 1350 1 4 . 1 1 42 42 ASP N N 122 117.780 117.780 117.224 0.556 17673 1351 1 4 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.502 -0.189 17673 1352 1 4 . 1 1 42 42 ASP C C 122 176.810 176.810 177.391 -0.581 17673 1353 1 4 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.011 -2.341 17673 1354 1 4 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.224 -2.514 17673 1355 1 4 . 1 1 42 42 ASP H H 122 7.128 7.128 8.078 -0.950 17673 1356 1 4 . 1 1 43 43 GLY N N 123 108.200 108.200 105.880 2.320 17673 1357 1 4 . 1 1 43 43 GLY C C 123 173.670 173.670 174.104 -0.434 17673 1358 1 4 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.713 0.537 17673 1359 1 4 . 1 1 43 43 GLY H H 123 8.242 8.242 7.999 0.243 17673 1360 1 4 . 1 1 44 44 VAL N N 124 121.320 121.320 121.572 -0.252 17673 1361 1 4 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.054 -0.211 17673 1362 1 4 . 1 1 44 44 VAL C C 124 174.610 174.610 175.251 -0.641 17673 1363 1 4 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.390 0.580 17673 1364 1 4 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.767 -0.527 17673 1365 1 4 . 1 1 44 44 VAL H H 124 6.877 6.877 7.904 -1.027 17673 1366 1 4 . 1 1 45 45 VAL N N 125 129.030 129.030 124.730 4.300 17673 1367 1 4 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.068 0.201 17673 1368 1 4 . 1 1 45 45 VAL C C 125 176.640 176.640 175.226 1.414 17673 1369 1 4 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.813 0.267 17673 1370 1 4 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.682 -1.262 17673 1371 1 4 . 1 1 45 45 VAL H H 125 8.529 8.529 8.417 0.112 17673 1372 1 4 . 1 1 46 46 GLN N N 126 125.880 125.880 125.102 0.778 17673 1373 1 4 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.851 -0.014 17673 1374 1 4 . 1 1 46 46 GLN C C 126 173.960 173.960 174.168 -0.208 17673 1375 1 4 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.243 0.397 17673 1376 1 4 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.538 2.142 17673 1377 1 4 . 1 1 46 46 GLN H H 126 8.989 8.989 8.930 0.059 17673 1378 1 4 . 1 1 47 47 THR N N 127 121.970 121.970 119.494 2.476 17673 1379 1 4 . 1 1 47 47 THR HA H 127 5.347 5.347 5.427 -0.080 17673 1380 1 4 . 1 1 47 47 THR C C 127 174.500 174.500 173.978 0.522 17673 1381 1 4 . 1 1 47 47 THR CA C 127 62.730 62.730 61.663 1.067 17673 1382 1 4 . 1 1 47 47 THR CB C 127 69.540 69.540 69.864 -0.324 17673 1383 1 4 . 1 1 47 47 THR H H 127 8.912 8.912 8.525 0.387 17673 1384 1 4 . 1 1 48 48 VAL N N 128 121.810 121.810 121.210 0.600 17673 1385 1 4 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.018 -0.016 17673 1386 1 4 . 1 1 48 48 VAL C C 128 174.840 174.840 174.110 0.730 17673 1387 1 4 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.652 -0.602 17673 1388 1 4 . 1 1 48 48 VAL CB C 128 35.840 35.840 34.912 0.928 17673 1389 1 4 . 1 1 48 48 VAL H H 128 9.513 9.513 9.309 0.204 17673 1390 1 4 . 1 1 49 49 LYS N N 129 121.050 121.050 119.276 1.774 17673 1391 1 4 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.915 -0.479 17673 1392 1 4 . 1 1 49 49 LYS C C 129 178.110 178.110 178.418 -0.308 17673 1393 1 4 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.015 2.095 17673 1394 1 4 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.903 0.267 17673 1395 1 4 . 1 1 49 49 LYS H H 129 9.021 9.021 8.772 0.249 17673 1396 1 4 . 1 1 50 50 HIS N N 130 119.600 119.600 120.835 -1.235 17673 1397 1 4 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.362 0.114 17673 1398 1 4 . 1 1 50 50 HIS C C 130 176.820 176.820 177.569 -0.749 17673 1399 1 4 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.450 0.900 17673 1400 1 4 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.200 0.260 17673 1401 1 4 . 1 1 50 50 HIS H H 130 8.679 8.679 8.671 0.008 17673 1402 1 4 . 1 1 51 51 ILE N N 131 109.320 109.320 113.005 -3.685 17673 1403 1 4 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.667 0.593 17673 1404 1 4 . 1 1 51 51 ILE C C 131 176.350 176.350 175.546 0.804 17673 1405 1 4 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.581 0.129 17673 1406 1 4 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.786 1.274 17673 1407 1 4 . 1 1 51 51 ILE H H 131 6.790 6.790 8.201 -1.411 17673 1408 1 4 . 1 1 52 52 HIS N N 132 121.710 121.710 115.926 5.784 17673 1409 1 4 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.825 0.147 17673 1410 1 4 . 1 1 52 52 HIS C C 132 172.680 172.680 174.023 -1.343 17673 1411 1 4 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.016 -0.905 17673 1412 1 4 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.594 0.236 17673 1413 1 4 . 1 1 52 52 HIS H H 132 8.064 8.064 7.676 0.388 17673 1414 1 4 . 1 1 53 53 VAL N N 133 118.360 118.360 117.979 0.381 17673 1415 1 4 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.101 -0.097 17673 1416 1 4 . 1 1 53 53 VAL C C 133 173.990 173.990 173.894 0.096 17673 1417 1 4 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.836 0.464 17673 1418 1 4 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.179 -1.129 17673 1419 1 4 . 1 1 53 53 VAL H H 133 7.614 7.614 7.507 0.107 17673 1420 1 4 . 1 1 54 54 LYS N N 134 123.720 123.720 120.812 2.908 17673 1421 1 4 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.785 0.035 17673 1422 1 4 . 1 1 54 54 LYS C C 134 173.820 173.820 174.446 -0.626 17673 1423 1 4 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.498 0.722 17673 1424 1 4 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.875 0.755 17673 1425 1 4 . 1 1 54 54 LYS H H 134 9.207 9.207 8.807 0.400 17673 1426 1 4 . 1 1 55 55 ALA N N 135 121.610 121.610 121.223 0.387 17673 1427 1 4 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.824 0.612 17673 1428 1 4 . 1 1 55 55 ALA C C 135 177.670 177.670 176.811 0.859 17673 1429 1 4 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.564 -0.364 17673 1430 1 4 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.995 0.115 17673 1431 1 4 . 1 1 55 55 ALA H H 135 8.560 8.560 8.139 0.421 17673 1432 1 4 . 1 1 56 56 PHE N N 136 120.080 120.080 118.456 1.624 17673 1433 1 4 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.069 0.194 17673 1434 1 4 . 1 1 56 56 PHE C C 136 175.380 175.380 175.700 -0.320 17673 1435 1 4 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.048 -0.188 17673 1436 1 4 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.139 1.011 17673 1437 1 4 . 1 1 56 56 PHE H H 136 8.680 8.680 7.647 1.033 17673 1438 1 4 . 1 1 57 57 SER N N 137 117.820 117.820 114.055 3.765 17673 1439 1 4 . 1 1 57 57 SER HA H 137 4.367 4.367 4.285 0.083 17673 1440 1 4 . 1 1 57 57 SER CA C 137 57.350 57.350 58.646 -1.296 17673 1441 1 4 . 1 1 57 57 SER CB C 137 64.220 64.220 63.208 1.012 17673 1442 1 4 . 1 1 57 57 SER H H 137 7.298 7.298 7.419 -0.121 17673 1443 1 4 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.676 0.502 17673 1444 1 4 . 1 1 58 58 LYS C C 138 176.260 176.260 177.715 -1.455 17673 1445 1 4 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.870 -2.130 17673 1446 1 4 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.426 0.374 17673 1447 1 4 . 1 1 59 59 ASP N N 139 120.500 120.500 119.199 1.301 17673 1448 1 4 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.301 0.224 17673 1449 1 4 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.986 -1.346 17673 1450 1 4 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.153 -0.173 17673 1451 1 4 . 1 1 59 59 ASP H H 139 8.245 8.245 8.491 -0.246 17673 1452 1 4 . 1 1 60 60 GLN N N 140 120.290 120.290 114.400 5.890 17673 1453 1 4 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.451 -0.204 17673 1454 1 4 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.809 1.251 17673 1455 1 4 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.260 -2.870 17673 1456 1 4 . 1 1 60 60 GLN H H 140 8.212 8.212 7.994 0.218 17673 1457 1 4 . 1 1 61 61 ASN N N 141 121.710 121.710 118.307 3.403 17673 1458 1 4 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.709 0.012 17673 1459 1 4 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.335 -0.256 17673 1460 1 4 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.373 -0.463 17673 1461 1 4 . 1 1 61 61 ASN H H 141 8.064 8.064 8.784 -0.720 17673 1462 1 4 . 1 1 62 62 ILE N N 142 120.890 120.890 118.515 2.375 17673 1463 1 4 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.501 -0.329 17673 1464 1 4 . 1 1 62 62 ILE C C 142 176.330 176.330 177.085 -0.755 17673 1465 1 4 . 1 1 62 62 ILE CA C 142 61.350 61.350 62.095 -0.745 17673 1466 1 4 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.848 -1.273 17673 1467 1 4 . 1 1 62 62 ILE H H 142 8.010 8.010 8.768 -0.758 17673 1468 1 4 . 1 1 63 63 VAL N N 143 123.520 123.520 120.114 3.406 17673 1469 1 4 . 1 1 63 63 VAL HA H 143 4.108 4.108 3.856 0.252 17673 1470 1 4 . 1 1 63 63 VAL C C 143 176.740 176.740 177.749 -1.009 17673 1471 1 4 . 1 1 63 63 VAL CA C 143 62.710 62.710 65.715 -3.005 17673 1472 1 4 . 1 1 63 63 VAL CB C 143 32.570 32.570 31.970 0.601 17673 1473 1 4 . 1 1 63 63 VAL H H 143 8.157 8.157 7.759 0.398 17673 1474 1 4 . 1 1 64 64 GLY N N 144 112.060 112.060 107.221 4.839 17673 1475 1 4 . 1 1 64 64 GLY C C 144 173.940 173.940 173.809 0.131 17673 1476 1 4 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.209 -0.729 17673 1477 1 4 . 1 1 64 64 GLY H H 144 8.408 8.408 8.659 -0.251 17673 1478 1 4 . 1 1 65 65 ASN N N 145 118.830 118.830 116.026 2.804 17673 1479 1 4 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.693 0.023 17673 1480 1 4 . 1 1 65 65 ASN C C 145 175.220 175.220 173.688 1.532 17673 1481 1 4 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.470 0.690 17673 1482 1 4 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.651 -1.651 17673 1483 1 4 . 1 1 65 65 ASN H H 145 8.305 8.305 7.703 0.602 17673 1484 1 4 . 1 1 66 66 ALA N N 146 124.400 124.400 125.534 -1.134 17673 1485 1 4 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.493 -0.153 17673 1486 1 4 . 1 1 66 66 ALA C C 146 177.870 177.870 177.545 0.325 17673 1487 1 4 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.061 0.959 17673 1488 1 4 . 1 1 66 66 ALA CB C 146 19.090 19.090 17.640 1.450 17673 1489 1 4 . 1 1 66 66 ALA H H 146 8.341 8.341 8.692 -0.351 17673 1490 1 4 . 1 1 284 284 ALA N N 364 124.540 124.540 125.147 -0.607 17673 1491 1 4 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.639 -0.375 17673 1492 1 4 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.955 0.700 17673 1493 1 4 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.117 -1.988 17673 1494 1 4 . 1 1 284 284 ALA H H 364 8.267 8.267 8.443 -0.176 17673 1495 1 4 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.877 -0.053 17673 1496 1 4 . 1 1 285 285 HIS H H 365 8.447 8.447 8.129 0.318 17673 1497 1 4 . 1 1 286 286 SER N N 366 117.450 117.450 112.851 4.599 17673 1498 1 4 . 1 1 286 286 SER HA H 366 4.460 4.460 4.347 0.113 17673 1499 1 4 . 1 1 286 286 SER CA C 366 58.330 58.330 56.174 2.156 17673 1500 1 4 . 1 1 286 286 SER CB C 366 64.030 64.030 64.012 0.018 17673 1501 1 4 . 1 1 286 286 SER H H 366 8.287 8.287 7.877 0.410 17673 1502 1 4 . 1 1 287 287 SER N N 367 117.450 117.450 116.508 0.942 17673 1503 1 4 . 1 1 287 287 SER HA H 367 4.460 4.460 4.710 -0.250 17673 1504 1 4 . 1 1 287 287 SER CA C 367 58.330 58.330 58.663 -0.333 17673 1505 1 4 . 1 1 287 287 SER CB C 367 64.030 64.030 64.422 -0.392 17673 1506 1 4 . 1 1 287 287 SER H H 367 8.287 8.287 8.568 -0.281 17673 1507 1 4 . 1 1 292 292 LYS N N 372 123.390 123.390 121.959 1.431 17673 1508 1 4 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.357 -0.009 17673 1509 1 4 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.271 -0.631 17673 1510 1 4 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.581 0.569 17673 1511 1 4 . 1 1 292 292 LYS H H 372 8.416 8.416 8.383 0.033 17673 1512 1 4 . 1 1 293 293 LYS N N 373 123.390 123.390 119.188 4.202 17673 1513 1 4 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.405 -0.057 17673 1514 1 4 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.085 0.201 17673 1515 1 4 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.820 0.330 17673 1516 1 4 . 1 1 293 293 LYS H H 373 8.416 8.416 8.030 0.386 17673 1517 1 5 . 1 1 5 5 SER HA H 85 4.436 4.436 4.097 0.339 17673 1518 1 5 . 1 1 5 5 SER C C 85 173.840 173.840 173.095 0.745 17673 1519 1 5 . 1 1 5 5 SER CA C 85 58.100 58.100 58.423 -0.323 17673 1520 1 5 . 1 1 5 5 SER CB C 85 64.010 64.010 62.865 1.145 17673 1521 1 5 . 1 1 6 6 GLU N N 86 122.440 122.440 121.760 0.680 17673 1522 1 5 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.214 -0.163 17673 1523 1 5 . 1 1 6 6 GLU C C 86 175.710 175.710 174.741 0.969 17673 1524 1 5 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.164 1.955 17673 1525 1 5 . 1 1 6 6 GLU CB C 86 30.746 30.746 32.479 -1.733 17673 1526 1 5 . 1 1 6 6 GLU H H 86 8.107 8.107 7.405 0.702 17673 1527 1 5 . 1 1 7 7 PHE N N 87 118.700 118.700 121.402 -2.702 17673 1528 1 5 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.814 0.059 17673 1529 1 5 . 1 1 7 7 PHE C C 87 174.600 174.600 175.066 -0.466 17673 1530 1 5 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.539 -0.414 17673 1531 1 5 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.548 0.221 17673 1532 1 5 . 1 1 7 7 PHE H H 87 7.598 7.598 8.521 -0.923 17673 1533 1 5 . 1 1 8 8 GLN N N 88 118.630 118.630 119.849 -1.219 17673 1534 1 5 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.649 0.029 17673 1535 1 5 . 1 1 8 8 GLN C C 88 175.670 175.670 174.708 0.962 17673 1536 1 5 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.568 -0.113 17673 1537 1 5 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.402 0.498 17673 1538 1 5 . 1 1 8 8 GLN H H 88 8.906 8.906 8.469 0.437 17673 1539 1 5 . 1 1 9 9 ILE N N 89 118.880 118.880 121.011 -2.131 17673 1540 1 5 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.612 -0.216 17673 1541 1 5 . 1 1 9 9 ILE C C 89 177.130 177.130 176.284 0.846 17673 1542 1 5 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.877 -0.185 17673 1543 1 5 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.444 -0.014 17673 1544 1 5 . 1 1 9 9 ILE H H 89 8.384 8.384 8.364 0.020 17673 1545 1 5 . 1 1 10 10 ASN N N 90 119.090 119.090 119.120 -0.030 17673 1546 1 5 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.376 -0.132 17673 1547 1 5 . 1 1 10 10 ASN C C 90 173.870 173.870 173.928 -0.058 17673 1548 1 5 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.732 0.958 17673 1549 1 5 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.149 0.251 17673 1550 1 5 . 1 1 10 10 ASN H H 90 9.136 9.136 8.952 0.184 17673 1551 1 5 . 1 1 11 11 GLU N N 91 122.200 122.200 118.489 3.711 17673 1552 1 5 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.674 -0.470 17673 1553 1 5 . 1 1 11 11 GLU C C 91 176.040 176.040 174.988 1.052 17673 1554 1 5 . 1 1 11 11 GLU CA C 91 57.700 57.700 53.799 3.901 17673 1555 1 5 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.946 -1.566 17673 1556 1 5 . 1 1 11 11 GLU H H 91 8.157 8.157 7.728 0.429 17673 1557 1 5 . 1 1 12 12 GLN N N 92 124.360 124.360 120.940 3.420 17673 1558 1 5 . 1 1 12 12 GLN HA H 92 4.834 4.834 4.897 -0.063 17673 1559 1 5 . 1 1 12 12 GLN C C 92 174.920 174.920 175.881 -0.961 17673 1560 1 5 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.493 -1.767 17673 1561 1 5 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.704 -0.712 17673 1562 1 5 . 1 1 12 12 GLN H H 92 8.605 8.605 8.781 -0.176 17673 1563 1 5 . 1 1 13 13 VAL N N 93 118.540 118.540 114.994 3.546 17673 1564 1 5 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.401 0.302 17673 1565 1 5 . 1 1 13 13 VAL C C 93 174.780 174.780 173.881 0.899 17673 1566 1 5 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.168 -0.635 17673 1567 1 5 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.240 0.747 17673 1568 1 5 . 1 1 13 13 VAL H H 93 8.997 8.997 8.936 0.061 17673 1569 1 5 . 1 1 14 14 LEU N N 94 118.610 118.610 121.620 -3.010 17673 1570 1 5 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.220 -0.218 17673 1571 1 5 . 1 1 14 14 LEU C C 94 175.290 175.290 175.470 -0.180 17673 1572 1 5 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.619 0.239 17673 1573 1 5 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.112 1.546 17673 1574 1 5 . 1 1 14 14 LEU H H 94 8.618 8.618 8.379 0.239 17673 1575 1 5 . 1 1 15 15 ALA N N 95 122.870 122.870 126.433 -3.563 17673 1576 1 5 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.519 0.346 17673 1577 1 5 . 1 1 15 15 ALA C C 95 176.220 176.220 176.773 -0.553 17673 1578 1 5 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.445 -0.495 17673 1579 1 5 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.930 0.210 17673 1580 1 5 . 1 1 15 15 ALA H H 95 9.335 9.335 9.438 -0.103 17673 1581 1 5 . 1 1 16 16 SER N N 96 117.200 117.200 120.397 -3.197 17673 1582 1 5 . 1 1 16 16 SER HA H 96 4.520 4.520 4.620 -0.100 17673 1583 1 5 . 1 1 16 16 SER C C 96 174.250 174.250 174.217 0.033 17673 1584 1 5 . 1 1 16 16 SER CA C 96 57.245 57.245 59.472 -2.227 17673 1585 1 5 . 1 1 16 16 SER CB C 96 63.974 63.974 63.542 0.431 17673 1586 1 5 . 1 1 16 16 SER H H 96 8.513 8.513 8.975 -0.462 17673 1587 1 5 . 1 1 17 17 TRP N N 97 125.340 125.340 129.522 -4.182 17673 1588 1 5 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.511 0.726 17673 1589 1 5 . 1 1 17 17 TRP C C 97 176.630 176.630 177.068 -0.438 17673 1590 1 5 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.885 -1.995 17673 1591 1 5 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.409 0.611 17673 1592 1 5 . 1 1 17 17 TRP H H 97 8.621 8.621 9.122 -0.501 17673 1593 1 5 . 1 1 18 18 SER N N 98 118.120 118.120 118.892 -0.772 17673 1594 1 5 . 1 1 18 18 SER HA H 98 3.912 3.912 3.922 -0.010 17673 1595 1 5 . 1 1 18 18 SER C C 98 173.650 173.650 175.071 -1.421 17673 1596 1 5 . 1 1 18 18 SER CA C 98 59.400 59.400 60.627 -1.226 17673 1597 1 5 . 1 1 18 18 SER CB C 98 62.330 62.330 62.803 -0.473 17673 1598 1 5 . 1 1 18 18 SER H H 98 6.530 6.530 8.156 -1.626 17673 1599 1 5 . 1 1 19 19 ASP N N 99 119.980 119.980 118.387 1.593 17673 1600 1 5 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.213 0.227 17673 1601 1 5 . 1 1 19 19 ASP C C 99 176.200 176.200 176.648 -0.448 17673 1602 1 5 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.935 -2.515 17673 1603 1 5 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.340 -1.150 17673 1604 1 5 . 1 1 19 19 ASP H H 99 7.834 7.834 7.484 0.350 17673 1605 1 5 . 1 1 20 20 SER N N 100 110.670 110.670 109.690 0.980 17673 1606 1 5 . 1 1 20 20 SER HA H 100 3.923 3.923 4.464 -0.541 17673 1607 1 5 . 1 1 20 20 SER C C 100 173.090 173.090 173.829 -0.739 17673 1608 1 5 . 1 1 20 20 SER CA C 100 60.410 60.410 58.925 1.484 17673 1609 1 5 . 1 1 20 20 SER CB C 100 62.350 62.350 64.482 -2.132 17673 1610 1 5 . 1 1 20 20 SER H H 100 8.127 8.127 8.325 -0.198 17673 1611 1 5 . 1 1 21 21 ARG N N 101 120.850 120.850 120.712 0.138 17673 1612 1 5 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.446 0.025 17673 1613 1 5 . 1 1 21 21 ARG C C 101 174.190 174.190 174.618 -0.428 17673 1614 1 5 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.597 0.413 17673 1615 1 5 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.779 0.221 17673 1616 1 5 . 1 1 21 21 ARG H H 101 8.097 8.097 8.117 -0.020 17673 1617 1 5 . 1 1 22 22 PHE N N 102 118.370 118.370 119.084 -0.714 17673 1618 1 5 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.675 0.158 17673 1619 1 5 . 1 1 22 22 PHE C C 102 175.840 175.840 176.313 -0.473 17673 1620 1 5 . 1 1 22 22 PHE CA C 102 57.740 57.740 58.452 -0.712 17673 1621 1 5 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.927 2.093 17673 1622 1 5 . 1 1 22 22 PHE H H 102 8.400 8.400 7.903 0.497 17673 1623 1 5 . 1 1 23 23 TYR N N 103 119.450 119.450 121.474 -2.024 17673 1624 1 5 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.194 -0.054 17673 1625 1 5 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.818 -0.108 17673 1626 1 5 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.553 -0.893 17673 1627 1 5 . 1 1 23 23 TYR H H 103 9.263 9.263 9.195 0.068 17673 1628 1 5 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.197 -0.169 17673 1629 1 5 . 1 1 24 24 PRO C C 104 175.500 175.500 175.898 -0.398 17673 1630 1 5 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.859 1.001 17673 1631 1 5 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.403 0.197 17673 1632 1 5 . 1 1 25 25 ALA N N 105 124.530 124.530 122.387 2.143 17673 1633 1 5 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.086 0.712 17673 1634 1 5 . 1 1 25 25 ALA C C 105 174.470 174.470 174.519 -0.049 17673 1635 1 5 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.772 0.108 17673 1636 1 5 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.506 0.894 17673 1637 1 5 . 1 1 25 25 ALA H H 105 9.121 9.121 8.725 0.396 17673 1638 1 5 . 1 1 26 26 LYS N N 106 117.940 117.940 120.868 -2.928 17673 1639 1 5 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.938 0.279 17673 1640 1 5 . 1 1 26 26 LYS C C 106 176.420 176.420 176.234 0.186 17673 1641 1 5 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.162 -0.162 17673 1642 1 5 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.015 1.065 17673 1643 1 5 . 1 1 26 26 LYS H H 106 8.064 8.064 8.407 -0.343 17673 1644 1 5 . 1 1 27 27 VAL N N 107 123.950 123.950 127.924 -3.974 17673 1645 1 5 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.008 -0.052 17673 1646 1 5 . 1 1 27 27 VAL C C 107 177.040 177.040 176.589 0.451 17673 1647 1 5 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.945 0.115 17673 1648 1 5 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.916 0.014 17673 1649 1 5 . 1 1 27 27 VAL H H 107 8.264 8.264 8.862 -0.598 17673 1650 1 5 . 1 1 28 28 THR N N 108 121.600 121.600 117.980 3.620 17673 1651 1 5 . 1 1 28 28 THR HA H 108 4.680 4.680 4.499 0.181 17673 1652 1 5 . 1 1 28 28 THR C C 108 175.270 175.270 174.563 0.707 17673 1653 1 5 . 1 1 28 28 THR CA C 108 62.180 62.180 61.316 0.864 17673 1654 1 5 . 1 1 28 28 THR CB C 108 68.940 68.940 70.228 -1.288 17673 1655 1 5 . 1 1 28 28 THR H H 108 9.633 9.633 8.948 0.685 17673 1656 1 5 . 1 1 29 29 ALA N N 109 123.390 123.390 124.249 -0.859 17673 1657 1 5 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.593 -0.154 17673 1658 1 5 . 1 1 29 29 ALA C C 109 174.910 174.910 174.942 -0.032 17673 1659 1 5 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.725 1.685 17673 1660 1 5 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.597 0.618 17673 1661 1 5 . 1 1 29 29 ALA H H 109 8.058 8.058 7.819 0.239 17673 1662 1 5 . 1 1 30 30 VAL N N 110 123.310 123.310 118.748 4.562 17673 1663 1 5 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.094 0.006 17673 1664 1 5 . 1 1 30 30 VAL C C 110 175.510 175.510 174.418 1.092 17673 1665 1 5 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.929 1.751 17673 1666 1 5 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.172 -2.442 17673 1667 1 5 . 1 1 30 30 VAL H H 110 8.541 8.541 8.221 0.320 17673 1668 1 5 . 1 1 31 31 ASN N N 111 123.230 123.230 123.754 -0.524 17673 1669 1 5 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.950 -0.013 17673 1670 1 5 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.960 1.135 17673 1671 1 5 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.781 -1.231 17673 1672 1 5 . 1 1 31 31 ASN H H 111 7.957 7.957 8.519 -0.562 17673 1673 1 5 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.950 0.234 17673 1674 1 5 . 1 1 32 32 LYS C C 112 176.120 176.120 177.177 -1.057 17673 1675 1 5 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.393 -0.083 17673 1676 1 5 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.272 -0.362 17673 1677 1 5 . 1 1 33 33 ASP N N 113 117.410 117.410 116.457 0.953 17673 1678 1 5 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.462 0.070 17673 1679 1 5 . 1 1 33 33 ASP C C 113 177.040 177.040 177.113 -0.073 17673 1680 1 5 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.910 -2.023 17673 1681 1 5 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.130 -1.140 17673 1682 1 5 . 1 1 33 33 ASP H H 113 7.867 7.867 8.090 -0.223 17673 1683 1 5 . 1 1 34 34 GLY N N 114 107.300 107.300 106.317 0.983 17673 1684 1 5 . 1 1 34 34 GLY C C 114 174.640 174.640 173.350 1.290 17673 1685 1 5 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.780 1.010 17673 1686 1 5 . 1 1 34 34 GLY H H 114 7.944 7.944 8.040 -0.096 17673 1687 1 5 . 1 1 35 35 THR N N 115 108.940 108.940 110.854 -1.914 17673 1688 1 5 . 1 1 35 35 THR HA H 115 4.824 4.824 5.369 -0.545 17673 1689 1 5 . 1 1 35 35 THR C C 115 173.650 173.650 172.373 1.277 17673 1690 1 5 . 1 1 35 35 THR CA C 115 60.640 60.640 59.581 1.059 17673 1691 1 5 . 1 1 35 35 THR CB C 115 72.740 72.740 72.311 0.429 17673 1692 1 5 . 1 1 35 35 THR H H 115 7.381 7.381 7.654 -0.273 17673 1693 1 5 . 1 1 36 36 TYR N N 116 116.170 116.170 118.341 -2.171 17673 1694 1 5 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.971 0.204 17673 1695 1 5 . 1 1 36 36 TYR C C 116 175.890 175.890 174.236 1.654 17673 1696 1 5 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.592 -0.582 17673 1697 1 5 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.893 -1.723 17673 1698 1 5 . 1 1 36 36 TYR H H 116 9.058 9.058 9.373 -0.315 17673 1699 1 5 . 1 1 37 37 THR N N 117 120.780 120.780 118.209 2.571 17673 1700 1 5 . 1 1 37 37 THR HA H 117 5.116 5.116 5.404 -0.288 17673 1701 1 5 . 1 1 37 37 THR C C 117 173.990 173.990 173.382 0.608 17673 1702 1 5 . 1 1 37 37 THR CA C 117 63.060 63.060 61.252 1.808 17673 1703 1 5 . 1 1 37 37 THR CB C 117 69.255 69.255 70.844 -1.589 17673 1704 1 5 . 1 1 37 37 THR H H 117 9.035 9.035 8.895 0.140 17673 1705 1 5 . 1 1 38 38 VAL N N 118 120.000 120.000 118.638 1.362 17673 1706 1 5 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.073 0.176 17673 1707 1 5 . 1 1 38 38 VAL C C 118 172.390 172.390 173.047 -0.657 17673 1708 1 5 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.079 -1.339 17673 1709 1 5 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.746 -0.816 17673 1710 1 5 . 1 1 38 38 VAL H H 118 9.183 9.183 9.022 0.161 17673 1711 1 5 . 1 1 39 39 LYS N N 119 121.000 121.000 121.262 -0.262 17673 1712 1 5 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.106 -0.044 17673 1713 1 5 . 1 1 39 39 LYS C C 119 178.050 178.050 174.954 3.096 17673 1714 1 5 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.167 0.043 17673 1715 1 5 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.260 -1.340 17673 1716 1 5 . 1 1 39 39 LYS H H 119 8.802 8.802 8.712 0.090 17673 1717 1 5 . 1 1 40 40 PHE N N 120 127.480 127.480 124.702 2.778 17673 1718 1 5 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.393 0.353 17673 1719 1 5 . 1 1 40 40 PHE C C 120 178.110 178.110 176.878 1.232 17673 1720 1 5 . 1 1 40 40 PHE CA C 120 59.610 59.610 56.957 2.653 17673 1721 1 5 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.145 1.895 17673 1722 1 5 . 1 1 40 40 PHE H H 120 9.634 9.634 9.076 0.558 17673 1723 1 5 . 1 1 41 41 TYR N N 121 119.600 119.600 122.249 -2.649 17673 1724 1 5 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.175 0.229 17673 1725 1 5 . 1 1 41 41 TYR C C 121 174.890 174.890 176.776 -1.886 17673 1726 1 5 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.920 -1.008 17673 1727 1 5 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.974 -0.534 17673 1728 1 5 . 1 1 41 41 TYR H H 121 8.679 8.679 8.305 0.374 17673 1729 1 5 . 1 1 42 42 ASP N N 122 117.780 117.780 116.761 1.019 17673 1730 1 5 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.442 -0.129 17673 1731 1 5 . 1 1 42 42 ASP C C 122 176.810 176.810 177.498 -0.688 17673 1732 1 5 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.316 -2.646 17673 1733 1 5 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.215 -2.505 17673 1734 1 5 . 1 1 42 42 ASP H H 122 7.128 7.128 8.014 -0.886 17673 1735 1 5 . 1 1 43 43 GLY N N 123 108.200 108.200 106.309 1.891 17673 1736 1 5 . 1 1 43 43 GLY C C 123 173.670 173.670 174.282 -0.612 17673 1737 1 5 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.706 0.544 17673 1738 1 5 . 1 1 43 43 GLY H H 123 8.242 8.242 8.115 0.127 17673 1739 1 5 . 1 1 44 44 VAL N N 124 121.320 121.320 121.691 -0.371 17673 1740 1 5 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.158 -0.315 17673 1741 1 5 . 1 1 44 44 VAL C C 124 174.610 174.610 175.446 -0.836 17673 1742 1 5 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.987 0.983 17673 1743 1 5 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.542 -0.302 17673 1744 1 5 . 1 1 44 44 VAL H H 124 6.877 6.877 7.955 -1.078 17673 1745 1 5 . 1 1 45 45 VAL N N 125 129.030 129.030 124.581 4.449 17673 1746 1 5 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.147 0.122 17673 1747 1 5 . 1 1 45 45 VAL C C 125 176.640 176.640 175.476 1.164 17673 1748 1 5 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.669 0.411 17673 1749 1 5 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.908 -1.488 17673 1750 1 5 . 1 1 45 45 VAL H H 125 8.529 8.529 8.424 0.105 17673 1751 1 5 . 1 1 46 46 GLN N N 126 125.880 125.880 125.367 0.513 17673 1752 1 5 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.890 -0.053 17673 1753 1 5 . 1 1 46 46 GLN C C 126 173.960 173.960 174.278 -0.318 17673 1754 1 5 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.477 0.163 17673 1755 1 5 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.560 2.120 17673 1756 1 5 . 1 1 46 46 GLN H H 126 8.989 8.989 9.068 -0.079 17673 1757 1 5 . 1 1 47 47 THR N N 127 121.970 121.970 118.943 3.027 17673 1758 1 5 . 1 1 47 47 THR HA H 127 5.347 5.347 5.455 -0.108 17673 1759 1 5 . 1 1 47 47 THR C C 127 174.500 174.500 174.227 0.273 17673 1760 1 5 . 1 1 47 47 THR CA C 127 62.730 62.730 61.709 1.021 17673 1761 1 5 . 1 1 47 47 THR CB C 127 69.540 69.540 69.854 -0.314 17673 1762 1 5 . 1 1 47 47 THR H H 127 8.912 8.912 8.499 0.413 17673 1763 1 5 . 1 1 48 48 VAL N N 128 121.810 121.810 121.655 0.155 17673 1764 1 5 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.018 -0.016 17673 1765 1 5 . 1 1 48 48 VAL C C 128 174.840 174.840 174.067 0.773 17673 1766 1 5 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.768 -0.718 17673 1767 1 5 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.311 0.529 17673 1768 1 5 . 1 1 48 48 VAL H H 128 9.513 9.513 9.234 0.279 17673 1769 1 5 . 1 1 49 49 LYS N N 129 121.050 121.050 118.779 2.271 17673 1770 1 5 . 1 1 49 49 LYS HA H 129 4.436 4.436 5.002 -0.566 17673 1771 1 5 . 1 1 49 49 LYS C C 129 178.110 178.110 178.208 -0.098 17673 1772 1 5 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.905 2.205 17673 1773 1 5 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.149 0.021 17673 1774 1 5 . 1 1 49 49 LYS H H 129 9.021 9.021 8.648 0.373 17673 1775 1 5 . 1 1 50 50 HIS N N 130 119.600 119.600 120.761 -1.161 17673 1776 1 5 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.367 0.109 17673 1777 1 5 . 1 1 50 50 HIS C C 130 176.820 176.820 177.653 -0.833 17673 1778 1 5 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.423 0.927 17673 1779 1 5 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.224 0.236 17673 1780 1 5 . 1 1 50 50 HIS H H 130 8.679 8.679 8.583 0.096 17673 1781 1 5 . 1 1 51 51 ILE N N 131 109.320 109.320 113.325 -4.005 17673 1782 1 5 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.682 0.578 17673 1783 1 5 . 1 1 51 51 ILE C C 131 176.350 176.350 175.893 0.457 17673 1784 1 5 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.721 -0.011 17673 1785 1 5 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.828 1.232 17673 1786 1 5 . 1 1 51 51 ILE H H 131 6.790 6.790 8.127 -1.337 17673 1787 1 5 . 1 1 52 52 HIS N N 132 121.710 121.710 115.260 6.450 17673 1788 1 5 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.958 0.014 17673 1789 1 5 . 1 1 52 52 HIS C C 132 172.680 172.680 174.078 -1.398 17673 1790 1 5 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.681 -0.571 17673 1791 1 5 . 1 1 52 52 HIS CB C 132 31.830 31.830 32.088 -0.258 17673 1792 1 5 . 1 1 52 52 HIS H H 132 8.064 8.064 7.750 0.314 17673 1793 1 5 . 1 1 53 53 VAL N N 133 118.360 118.360 117.481 0.879 17673 1794 1 5 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.093 -0.089 17673 1795 1 5 . 1 1 53 53 VAL C C 133 173.990 173.990 173.984 0.006 17673 1796 1 5 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.624 0.675 17673 1797 1 5 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.022 -0.972 17673 1798 1 5 . 1 1 53 53 VAL H H 133 7.614 7.614 7.478 0.136 17673 1799 1 5 . 1 1 54 54 LYS N N 134 123.720 123.720 121.143 2.577 17673 1800 1 5 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.675 0.145 17673 1801 1 5 . 1 1 54 54 LYS C C 134 173.820 173.820 174.477 -0.657 17673 1802 1 5 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.822 0.398 17673 1803 1 5 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.206 1.424 17673 1804 1 5 . 1 1 54 54 LYS H H 134 9.207 9.207 8.797 0.410 17673 1805 1 5 . 1 1 55 55 ALA N N 135 121.610 121.610 121.182 0.428 17673 1806 1 5 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.913 0.523 17673 1807 1 5 . 1 1 55 55 ALA C C 135 177.670 177.670 177.328 0.342 17673 1808 1 5 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.649 -0.449 17673 1809 1 5 . 1 1 55 55 ALA CB C 135 19.110 19.110 19.065 0.045 17673 1810 1 5 . 1 1 55 55 ALA H H 135 8.560 8.560 8.416 0.144 17673 1811 1 5 . 1 1 56 56 PHE N N 136 120.080 120.080 119.569 0.511 17673 1812 1 5 . 1 1 56 56 PHE HA H 136 4.263 4.263 3.958 0.305 17673 1813 1 5 . 1 1 56 56 PHE C C 136 175.380 175.380 175.764 -0.384 17673 1814 1 5 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.404 -0.544 17673 1815 1 5 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.085 1.065 17673 1816 1 5 . 1 1 56 56 PHE H H 136 8.680 8.680 7.336 1.344 17673 1817 1 5 . 1 1 57 57 SER N N 137 117.820 117.820 114.050 3.770 17673 1818 1 5 . 1 1 57 57 SER HA H 137 4.367 4.367 4.210 0.157 17673 1819 1 5 . 1 1 57 57 SER CA C 137 57.350 57.350 58.792 -1.442 17673 1820 1 5 . 1 1 57 57 SER CB C 137 64.220 64.220 63.583 0.637 17673 1821 1 5 . 1 1 57 57 SER H H 137 7.298 7.298 7.719 -0.421 17673 1822 1 5 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.803 0.375 17673 1823 1 5 . 1 1 58 58 LYS C C 138 176.260 176.260 177.371 -1.111 17673 1824 1 5 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.404 -1.664 17673 1825 1 5 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.398 0.402 17673 1826 1 5 . 1 1 59 59 ASP N N 139 120.500 120.500 119.319 1.181 17673 1827 1 5 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.365 0.160 17673 1828 1 5 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.878 -1.238 17673 1829 1 5 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.245 -0.265 17673 1830 1 5 . 1 1 59 59 ASP H H 139 8.245 8.245 8.506 -0.261 17673 1831 1 5 . 1 1 60 60 GLN N N 140 120.290 120.290 114.616 5.674 17673 1832 1 5 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.528 -0.281 17673 1833 1 5 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.659 1.401 17673 1834 1 5 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.494 -3.104 17673 1835 1 5 . 1 1 60 60 GLN H H 140 8.212 8.212 8.207 0.005 17673 1836 1 5 . 1 1 61 61 ASN N N 141 121.710 121.710 118.893 2.817 17673 1837 1 5 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.796 -0.075 17673 1838 1 5 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.870 -0.791 17673 1839 1 5 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.528 -0.618 17673 1840 1 5 . 1 1 61 61 ASN H H 141 8.064 8.064 8.693 -0.629 17673 1841 1 5 . 1 1 62 62 ILE N N 142 120.890 120.890 120.124 0.766 17673 1842 1 5 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.574 -0.402 17673 1843 1 5 . 1 1 62 62 ILE C C 142 176.330 176.330 174.904 1.426 17673 1844 1 5 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.969 0.381 17673 1845 1 5 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.245 0.330 17673 1846 1 5 . 1 1 62 62 ILE H H 142 8.010 8.010 8.997 -0.987 17673 1847 1 5 . 1 1 63 63 VAL N N 143 123.520 123.520 120.932 2.588 17673 1848 1 5 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.361 -0.253 17673 1849 1 5 . 1 1 63 63 VAL C C 143 176.740 176.740 176.812 -0.072 17673 1850 1 5 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.778 -1.068 17673 1851 1 5 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.599 -2.029 17673 1852 1 5 . 1 1 63 63 VAL H H 143 8.157 8.157 8.841 -0.684 17673 1853 1 5 . 1 1 64 64 GLY N N 144 112.060 112.060 109.419 2.641 17673 1854 1 5 . 1 1 64 64 GLY C C 144 173.940 173.940 174.436 -0.496 17673 1855 1 5 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.496 -1.016 17673 1856 1 5 . 1 1 64 64 GLY H H 144 8.408 8.408 8.743 -0.335 17673 1857 1 5 . 1 1 65 65 ASN N N 145 118.830 118.830 115.986 2.844 17673 1858 1 5 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.748 -0.032 17673 1859 1 5 . 1 1 65 65 ASN C C 145 175.220 175.220 172.934 2.286 17673 1860 1 5 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.498 0.661 17673 1861 1 5 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.258 -2.258 17673 1862 1 5 . 1 1 65 65 ASN H H 145 8.305 8.305 7.775 0.530 17673 1863 1 5 . 1 1 66 66 ALA N N 146 124.400 124.400 123.600 0.800 17673 1864 1 5 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.553 -0.213 17673 1865 1 5 . 1 1 66 66 ALA C C 146 177.870 177.870 176.609 1.261 17673 1866 1 5 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.329 1.691 17673 1867 1 5 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.078 0.012 17673 1868 1 5 . 1 1 66 66 ALA H H 146 8.341 8.341 8.630 -0.289 17673 1869 1 5 . 1 1 284 284 ALA N N 364 124.540 124.540 126.150 -1.610 17673 1870 1 5 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.666 -0.402 17673 1871 1 5 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.187 0.468 17673 1872 1 5 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.146 -2.016 17673 1873 1 5 . 1 1 284 284 ALA H H 364 8.267 8.267 8.686 -0.419 17673 1874 1 5 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.350 0.474 17673 1875 1 5 . 1 1 285 285 HIS H H 365 8.447 8.447 8.302 0.145 17673 1876 1 5 . 1 1 286 286 SER N N 366 117.450 117.450 114.279 3.171 17673 1877 1 5 . 1 1 286 286 SER HA H 366 4.460 4.460 4.558 -0.098 17673 1878 1 5 . 1 1 286 286 SER CA C 366 58.330 58.330 57.217 1.113 17673 1879 1 5 . 1 1 286 286 SER CB C 366 64.030 64.030 65.403 -1.373 17673 1880 1 5 . 1 1 286 286 SER H H 366 8.287 8.287 7.895 0.392 17673 1881 1 5 . 1 1 287 287 SER N N 367 117.450 117.450 117.246 0.204 17673 1882 1 5 . 1 1 287 287 SER HA H 367 4.460 4.460 4.415 0.045 17673 1883 1 5 . 1 1 287 287 SER CA C 367 58.330 58.330 59.489 -1.159 17673 1884 1 5 . 1 1 287 287 SER CB C 367 64.030 64.030 63.328 0.702 17673 1885 1 5 . 1 1 287 287 SER H H 367 8.287 8.287 8.427 -0.140 17673 1886 1 5 . 1 1 292 292 LYS N N 372 123.390 123.390 123.334 0.056 17673 1887 1 5 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.325 0.023 17673 1888 1 5 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.338 0.302 17673 1889 1 5 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.947 0.204 17673 1890 1 5 . 1 1 292 292 LYS H H 372 8.416 8.416 8.007 0.409 17673 1891 1 5 . 1 1 293 293 LYS N N 373 123.390 123.390 120.128 3.262 17673 1892 1 5 . 1 1 293 293 LYS HA H 373 4.348 4.348 3.792 0.556 17673 1893 1 5 . 1 1 293 293 LYS CA C 373 56.286 56.286 55.894 0.392 17673 1894 1 5 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.711 0.439 17673 1895 1 5 . 1 1 293 293 LYS H H 373 8.416 8.416 7.531 0.885 17673 1896 1 6 . 1 1 5 5 SER HA H 85 4.436 4.436 4.166 0.270 17673 1897 1 6 . 1 1 5 5 SER C C 85 173.840 173.840 173.816 0.024 17673 1898 1 6 . 1 1 5 5 SER CA C 85 58.100 58.100 58.878 -0.778 17673 1899 1 6 . 1 1 5 5 SER CB C 85 64.010 64.010 63.280 0.730 17673 1900 1 6 . 1 1 6 6 GLU N N 86 122.440 122.440 121.384 1.056 17673 1901 1 6 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.183 -0.132 17673 1902 1 6 . 1 1 6 6 GLU C C 86 175.710 175.710 175.113 0.597 17673 1903 1 6 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.891 1.228 17673 1904 1 6 . 1 1 6 6 GLU CB C 86 30.746 30.746 30.546 0.201 17673 1905 1 6 . 1 1 6 6 GLU H H 86 8.107 8.107 8.444 -0.337 17673 1906 1 6 . 1 1 7 7 PHE N N 87 118.700 118.700 113.900 4.800 17673 1907 1 6 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.300 0.573 17673 1908 1 6 . 1 1 7 7 PHE C C 87 174.600 174.600 174.119 0.481 17673 1909 1 6 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.546 -1.421 17673 1910 1 6 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.627 4.142 17673 1911 1 6 . 1 1 7 7 PHE H H 87 7.598 7.598 7.440 0.158 17673 1912 1 6 . 1 1 8 8 GLN N N 88 118.630 118.630 116.991 1.639 17673 1913 1 6 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.481 0.197 17673 1914 1 6 . 1 1 8 8 GLN C C 88 175.670 175.670 176.502 -0.832 17673 1915 1 6 . 1 1 8 8 GLN CA C 88 53.455 53.455 55.028 -1.573 17673 1916 1 6 . 1 1 8 8 GLN CB C 88 31.900 31.900 29.860 2.040 17673 1917 1 6 . 1 1 8 8 GLN H H 88 8.906 8.906 7.805 1.101 17673 1918 1 6 . 1 1 9 9 ILE N N 89 118.880 118.880 120.346 -1.466 17673 1919 1 6 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.612 -0.216 17673 1920 1 6 . 1 1 9 9 ILE C C 89 177.130 177.130 176.488 0.642 17673 1921 1 6 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.803 -0.111 17673 1922 1 6 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.625 -0.195 17673 1923 1 6 . 1 1 9 9 ILE H H 89 8.384 8.384 8.286 0.098 17673 1924 1 6 . 1 1 10 10 ASN N N 90 119.090 119.090 119.050 0.040 17673 1925 1 6 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.386 -0.142 17673 1926 1 6 . 1 1 10 10 ASN C C 90 173.870 173.870 173.933 -0.063 17673 1927 1 6 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.757 0.933 17673 1928 1 6 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.170 0.230 17673 1929 1 6 . 1 1 10 10 ASN H H 90 9.136 9.136 8.942 0.194 17673 1930 1 6 . 1 1 11 11 GLU N N 91 122.200 122.200 118.093 4.107 17673 1931 1 6 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.715 -0.511 17673 1932 1 6 . 1 1 11 11 GLU C C 91 176.040 176.040 174.898 1.142 17673 1933 1 6 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.428 3.272 17673 1934 1 6 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.544 -1.164 17673 1935 1 6 . 1 1 11 11 GLU H H 91 8.157 8.157 7.823 0.334 17673 1936 1 6 . 1 1 12 12 GLN N N 92 124.360 124.360 119.517 4.843 17673 1937 1 6 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.055 -0.221 17673 1938 1 6 . 1 1 12 12 GLN C C 92 174.920 174.920 176.022 -1.102 17673 1939 1 6 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.252 -1.526 17673 1940 1 6 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.565 -0.573 17673 1941 1 6 . 1 1 12 12 GLN H H 92 8.605 8.605 8.644 -0.039 17673 1942 1 6 . 1 1 13 13 VAL N N 93 118.540 118.540 112.647 5.893 17673 1943 1 6 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.551 0.152 17673 1944 1 6 . 1 1 13 13 VAL C C 93 174.780 174.780 173.744 1.036 17673 1945 1 6 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.770 -0.237 17673 1946 1 6 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.389 0.598 17673 1947 1 6 . 1 1 13 13 VAL H H 93 8.997 8.997 8.955 0.042 17673 1948 1 6 . 1 1 14 14 LEU N N 94 118.610 118.610 121.529 -2.919 17673 1949 1 6 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.159 -0.157 17673 1950 1 6 . 1 1 14 14 LEU C C 94 175.290 175.290 175.420 -0.130 17673 1951 1 6 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.600 0.258 17673 1952 1 6 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.132 1.526 17673 1953 1 6 . 1 1 14 14 LEU H H 94 8.618 8.618 8.590 0.028 17673 1954 1 6 . 1 1 15 15 ALA N N 95 122.870 122.870 127.126 -4.256 17673 1955 1 6 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.523 0.342 17673 1956 1 6 . 1 1 15 15 ALA C C 95 176.220 176.220 176.863 -0.643 17673 1957 1 6 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.098 -0.148 17673 1958 1 6 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.653 0.487 17673 1959 1 6 . 1 1 15 15 ALA H H 95 9.335 9.335 9.358 -0.023 17673 1960 1 6 . 1 1 16 16 SER N N 96 117.200 117.200 118.883 -1.683 17673 1961 1 6 . 1 1 16 16 SER HA H 96 4.520 4.520 4.561 -0.041 17673 1962 1 6 . 1 1 16 16 SER C C 96 174.250 174.250 173.806 0.444 17673 1963 1 6 . 1 1 16 16 SER CA C 96 57.245 57.245 59.236 -1.991 17673 1964 1 6 . 1 1 16 16 SER CB C 96 63.974 63.974 64.035 -0.061 17673 1965 1 6 . 1 1 16 16 SER H H 96 8.513 8.513 9.033 -0.520 17673 1966 1 6 . 1 1 17 17 TRP N N 97 125.340 125.340 127.453 -2.113 17673 1967 1 6 . 1 1 17 17 TRP HA H 97 5.237 5.237 5.153 0.084 17673 1968 1 6 . 1 1 17 17 TRP C C 97 176.630 176.630 176.785 -0.155 17673 1969 1 6 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.465 -1.575 17673 1970 1 6 . 1 1 17 17 TRP CB C 97 31.020 31.020 32.216 -1.196 17673 1971 1 6 . 1 1 17 17 TRP H H 97 8.621 8.621 8.665 -0.044 17673 1972 1 6 . 1 1 18 18 SER N N 98 118.120 118.120 119.024 -0.904 17673 1973 1 6 . 1 1 18 18 SER HA H 98 3.912 3.912 3.973 -0.061 17673 1974 1 6 . 1 1 18 18 SER C C 98 173.650 173.650 175.345 -1.695 17673 1975 1 6 . 1 1 18 18 SER CA C 98 59.400 59.400 60.670 -1.270 17673 1976 1 6 . 1 1 18 18 SER CB C 98 62.330 62.330 62.983 -0.653 17673 1977 1 6 . 1 1 18 18 SER H H 98 6.530 6.530 8.528 -1.998 17673 1978 1 6 . 1 1 19 19 ASP N N 99 119.980 119.980 118.465 1.515 17673 1979 1 6 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.243 0.197 17673 1980 1 6 . 1 1 19 19 ASP C C 99 176.200 176.200 176.653 -0.453 17673 1981 1 6 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.934 -2.514 17673 1982 1 6 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.358 -1.168 17673 1983 1 6 . 1 1 19 19 ASP H H 99 7.834 7.834 7.588 0.246 17673 1984 1 6 . 1 1 20 20 SER N N 100 110.670 110.670 109.740 0.930 17673 1985 1 6 . 1 1 20 20 SER HA H 100 3.923 3.923 4.471 -0.548 17673 1986 1 6 . 1 1 20 20 SER C C 100 173.090 173.090 173.815 -0.725 17673 1987 1 6 . 1 1 20 20 SER CA C 100 60.410 60.410 58.917 1.493 17673 1988 1 6 . 1 1 20 20 SER CB C 100 62.350 62.350 64.566 -2.216 17673 1989 1 6 . 1 1 20 20 SER H H 100 8.127 8.127 8.403 -0.276 17673 1990 1 6 . 1 1 21 21 ARG N N 101 120.850 120.850 120.822 0.028 17673 1991 1 6 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.376 0.095 17673 1992 1 6 . 1 1 21 21 ARG C C 101 174.190 174.190 174.816 -0.626 17673 1993 1 6 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.559 0.451 17673 1994 1 6 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.628 0.372 17673 1995 1 6 . 1 1 21 21 ARG H H 101 8.097 8.097 8.026 0.071 17673 1996 1 6 . 1 1 22 22 PHE N N 102 118.370 118.370 119.532 -1.162 17673 1997 1 6 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.392 0.441 17673 1998 1 6 . 1 1 22 22 PHE C C 102 175.840 175.840 175.364 0.476 17673 1999 1 6 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.431 -1.691 17673 2000 1 6 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.639 2.381 17673 2001 1 6 . 1 1 22 22 PHE H H 102 8.400 8.400 7.636 0.764 17673 2002 1 6 . 1 1 23 23 TYR N N 103 119.450 119.450 121.799 -2.349 17673 2003 1 6 . 1 1 23 23 TYR HA H 103 5.140 5.140 4.985 0.155 17673 2004 1 6 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.839 -0.129 17673 2005 1 6 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.844 -0.185 17673 2006 1 6 . 1 1 23 23 TYR H H 103 9.263 9.263 8.859 0.404 17673 2007 1 6 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.214 -0.186 17673 2008 1 6 . 1 1 24 24 PRO C C 104 175.500 175.500 175.911 -0.411 17673 2009 1 6 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.821 1.039 17673 2010 1 6 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.515 0.085 17673 2011 1 6 . 1 1 25 25 ALA N N 105 124.530 124.530 122.254 2.276 17673 2012 1 6 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.049 0.749 17673 2013 1 6 . 1 1 25 25 ALA C C 105 174.470 174.470 174.519 -0.049 17673 2014 1 6 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.862 0.018 17673 2015 1 6 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.507 0.893 17673 2016 1 6 . 1 1 25 25 ALA H H 105 9.121 9.121 8.839 0.282 17673 2017 1 6 . 1 1 26 26 LYS N N 106 117.940 117.940 120.536 -2.596 17673 2018 1 6 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.915 0.302 17673 2019 1 6 . 1 1 26 26 LYS C C 106 176.420 176.420 175.886 0.534 17673 2020 1 6 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.599 -0.599 17673 2021 1 6 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.942 1.138 17673 2022 1 6 . 1 1 26 26 LYS H H 106 8.064 8.064 8.416 -0.352 17673 2023 1 6 . 1 1 27 27 VAL N N 107 123.950 123.950 127.107 -3.157 17673 2024 1 6 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.124 -0.168 17673 2025 1 6 . 1 1 27 27 VAL C C 107 177.040 177.040 176.618 0.422 17673 2026 1 6 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.065 -0.005 17673 2027 1 6 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.766 0.164 17673 2028 1 6 . 1 1 27 27 VAL H H 107 8.264 8.264 8.890 -0.626 17673 2029 1 6 . 1 1 28 28 THR N N 108 121.600 121.600 119.147 2.453 17673 2030 1 6 . 1 1 28 28 THR HA H 108 4.680 4.680 4.545 0.135 17673 2031 1 6 . 1 1 28 28 THR C C 108 175.270 175.270 174.560 0.710 17673 2032 1 6 . 1 1 28 28 THR CA C 108 62.180 62.180 61.636 0.543 17673 2033 1 6 . 1 1 28 28 THR CB C 108 68.940 68.940 70.391 -1.451 17673 2034 1 6 . 1 1 28 28 THR H H 108 9.633 9.633 8.849 0.784 17673 2035 1 6 . 1 1 29 29 ALA N N 109 123.390 123.390 123.503 -0.113 17673 2036 1 6 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.617 -0.178 17673 2037 1 6 . 1 1 29 29 ALA C C 109 174.910 174.910 174.817 0.093 17673 2038 1 6 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.799 1.611 17673 2039 1 6 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.292 0.923 17673 2040 1 6 . 1 1 29 29 ALA H H 109 8.058 8.058 7.794 0.264 17673 2041 1 6 . 1 1 30 30 VAL N N 110 123.310 123.310 118.681 4.629 17673 2042 1 6 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.224 -0.124 17673 2043 1 6 . 1 1 30 30 VAL C C 110 175.510 175.510 174.461 1.049 17673 2044 1 6 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.902 1.778 17673 2045 1 6 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.300 -2.570 17673 2046 1 6 . 1 1 30 30 VAL H H 110 8.541 8.541 8.229 0.312 17673 2047 1 6 . 1 1 31 31 ASN N N 111 123.230 123.230 123.905 -0.675 17673 2048 1 6 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.951 -0.014 17673 2049 1 6 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.956 1.139 17673 2050 1 6 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.533 -0.983 17673 2051 1 6 . 1 1 31 31 ASN H H 111 7.957 7.957 8.689 -0.732 17673 2052 1 6 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.942 0.242 17673 2053 1 6 . 1 1 32 32 LYS C C 112 176.120 176.120 177.066 -0.946 17673 2054 1 6 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.217 0.093 17673 2055 1 6 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.275 -0.365 17673 2056 1 6 . 1 1 33 33 ASP N N 113 117.410 117.410 116.756 0.654 17673 2057 1 6 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.449 0.083 17673 2058 1 6 . 1 1 33 33 ASP C C 113 177.040 177.040 177.141 -0.101 17673 2059 1 6 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.039 -2.152 17673 2060 1 6 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.122 -1.132 17673 2061 1 6 . 1 1 33 33 ASP H H 113 7.867 7.867 8.073 -0.206 17673 2062 1 6 . 1 1 34 34 GLY N N 114 107.300 107.300 105.992 1.308 17673 2063 1 6 . 1 1 34 34 GLY C C 114 174.640 174.640 173.355 1.285 17673 2064 1 6 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.870 0.920 17673 2065 1 6 . 1 1 34 34 GLY H H 114 7.944 7.944 8.088 -0.144 17673 2066 1 6 . 1 1 35 35 THR N N 115 108.940 108.940 112.138 -3.198 17673 2067 1 6 . 1 1 35 35 THR HA H 115 4.824 4.824 5.345 -0.521 17673 2068 1 6 . 1 1 35 35 THR C C 115 173.650 173.650 172.147 1.503 17673 2069 1 6 . 1 1 35 35 THR CA C 115 60.640 60.640 60.001 0.639 17673 2070 1 6 . 1 1 35 35 THR CB C 115 72.740 72.740 72.269 0.471 17673 2071 1 6 . 1 1 35 35 THR H H 115 7.381 7.381 7.833 -0.452 17673 2072 1 6 . 1 1 36 36 TYR N N 116 116.170 116.170 118.266 -2.096 17673 2073 1 6 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.935 0.240 17673 2074 1 6 . 1 1 36 36 TYR C C 116 175.890 175.890 174.457 1.433 17673 2075 1 6 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.550 -0.540 17673 2076 1 6 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.767 -1.597 17673 2077 1 6 . 1 1 36 36 TYR H H 116 9.058 9.058 9.288 -0.230 17673 2078 1 6 . 1 1 37 37 THR N N 117 120.780 120.780 118.707 2.073 17673 2079 1 6 . 1 1 37 37 THR HA H 117 5.116 5.116 5.374 -0.258 17673 2080 1 6 . 1 1 37 37 THR C C 117 173.990 173.990 173.225 0.765 17673 2081 1 6 . 1 1 37 37 THR CA C 117 63.060 63.060 61.208 1.852 17673 2082 1 6 . 1 1 37 37 THR CB C 117 69.255 69.255 70.799 -1.544 17673 2083 1 6 . 1 1 37 37 THR H H 117 9.035 9.035 9.080 -0.045 17673 2084 1 6 . 1 1 38 38 VAL N N 118 120.000 120.000 119.389 0.611 17673 2085 1 6 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.088 0.161 17673 2086 1 6 . 1 1 38 38 VAL C C 118 172.390 172.390 172.966 -0.576 17673 2087 1 6 . 1 1 38 38 VAL CA C 118 57.740 57.740 58.949 -1.209 17673 2088 1 6 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.598 -0.668 17673 2089 1 6 . 1 1 38 38 VAL H H 118 9.183 9.183 9.121 0.062 17673 2090 1 6 . 1 1 39 39 LYS N N 119 121.000 121.000 121.714 -0.714 17673 2091 1 6 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.033 0.029 17673 2092 1 6 . 1 1 39 39 LYS C C 119 178.050 178.050 175.062 2.988 17673 2093 1 6 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.140 0.070 17673 2094 1 6 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.114 -1.194 17673 2095 1 6 . 1 1 39 39 LYS H H 119 8.802 8.802 8.768 0.034 17673 2096 1 6 . 1 1 40 40 PHE N N 120 127.480 127.480 124.949 2.531 17673 2097 1 6 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.315 0.431 17673 2098 1 6 . 1 1 40 40 PHE C C 120 178.110 178.110 176.898 1.212 17673 2099 1 6 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.205 2.405 17673 2100 1 6 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.982 2.058 17673 2101 1 6 . 1 1 40 40 PHE H H 120 9.634 9.634 9.043 0.591 17673 2102 1 6 . 1 1 41 41 TYR N N 121 119.600 119.600 122.373 -2.773 17673 2103 1 6 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.221 0.183 17673 2104 1 6 . 1 1 41 41 TYR C C 121 174.890 174.890 176.847 -1.957 17673 2105 1 6 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.792 -0.881 17673 2106 1 6 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.055 -0.615 17673 2107 1 6 . 1 1 41 41 TYR H H 121 8.679 8.679 8.244 0.435 17673 2108 1 6 . 1 1 42 42 ASP N N 122 117.780 117.780 117.386 0.394 17673 2109 1 6 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.517 -0.204 17673 2110 1 6 . 1 1 42 42 ASP C C 122 176.810 176.810 177.355 -0.545 17673 2111 1 6 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.966 -2.296 17673 2112 1 6 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.229 -2.519 17673 2113 1 6 . 1 1 42 42 ASP H H 122 7.128 7.128 7.957 -0.829 17673 2114 1 6 . 1 1 43 43 GLY N N 123 108.200 108.200 106.349 1.851 17673 2115 1 6 . 1 1 43 43 GLY C C 123 173.670 173.670 174.262 -0.592 17673 2116 1 6 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.713 0.537 17673 2117 1 6 . 1 1 43 43 GLY H H 123 8.242 8.242 7.854 0.388 17673 2118 1 6 . 1 1 44 44 VAL N N 124 121.320 121.320 121.935 -0.615 17673 2119 1 6 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.171 -0.328 17673 2120 1 6 . 1 1 44 44 VAL C C 124 174.610 174.610 175.405 -0.795 17673 2121 1 6 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.715 1.254 17673 2122 1 6 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.529 -0.289 17673 2123 1 6 . 1 1 44 44 VAL H H 124 6.877 6.877 7.867 -0.990 17673 2124 1 6 . 1 1 45 45 VAL N N 125 129.030 129.030 124.152 4.878 17673 2125 1 6 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.023 0.246 17673 2126 1 6 . 1 1 45 45 VAL C C 125 176.640 176.640 175.408 1.232 17673 2127 1 6 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.660 0.420 17673 2128 1 6 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.889 -1.469 17673 2129 1 6 . 1 1 45 45 VAL H H 125 8.529 8.529 8.402 0.127 17673 2130 1 6 . 1 1 46 46 GLN N N 126 125.880 125.880 124.807 1.073 17673 2131 1 6 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.940 -0.103 17673 2132 1 6 . 1 1 46 46 GLN C C 126 173.960 173.960 174.076 -0.116 17673 2133 1 6 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.451 0.189 17673 2134 1 6 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.300 2.380 17673 2135 1 6 . 1 1 46 46 GLN H H 126 8.989 8.989 9.109 -0.120 17673 2136 1 6 . 1 1 47 47 THR N N 127 121.970 121.970 118.749 3.221 17673 2137 1 6 . 1 1 47 47 THR HA H 127 5.347 5.347 5.379 -0.032 17673 2138 1 6 . 1 1 47 47 THR C C 127 174.500 174.500 174.154 0.346 17673 2139 1 6 . 1 1 47 47 THR CA C 127 62.730 62.730 61.341 1.389 17673 2140 1 6 . 1 1 47 47 THR CB C 127 69.540 69.540 69.889 -0.349 17673 2141 1 6 . 1 1 47 47 THR H H 127 8.912 8.912 8.540 0.372 17673 2142 1 6 . 1 1 48 48 VAL N N 128 121.810 121.810 120.366 1.444 17673 2143 1 6 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.050 -0.048 17673 2144 1 6 . 1 1 48 48 VAL C C 128 174.840 174.840 174.139 0.701 17673 2145 1 6 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.340 -0.290 17673 2146 1 6 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.413 0.427 17673 2147 1 6 . 1 1 48 48 VAL H H 128 9.513 9.513 9.178 0.335 17673 2148 1 6 . 1 1 49 49 LYS N N 129 121.050 121.050 118.865 2.185 17673 2149 1 6 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.943 -0.507 17673 2150 1 6 . 1 1 49 49 LYS C C 129 178.110 178.110 178.191 -0.081 17673 2151 1 6 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.032 2.078 17673 2152 1 6 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.224 -0.054 17673 2153 1 6 . 1 1 49 49 LYS H H 129 9.021 9.021 8.824 0.197 17673 2154 1 6 . 1 1 50 50 HIS N N 130 119.600 119.600 121.042 -1.442 17673 2155 1 6 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.443 0.033 17673 2156 1 6 . 1 1 50 50 HIS C C 130 176.820 176.820 177.600 -0.780 17673 2157 1 6 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.640 0.710 17673 2158 1 6 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.215 0.245 17673 2159 1 6 . 1 1 50 50 HIS H H 130 8.679 8.679 8.739 -0.060 17673 2160 1 6 . 1 1 51 51 ILE N N 131 109.320 109.320 113.149 -3.829 17673 2161 1 6 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.676 0.584 17673 2162 1 6 . 1 1 51 51 ILE C C 131 176.350 176.350 175.691 0.659 17673 2163 1 6 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.731 -0.021 17673 2164 1 6 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.890 1.170 17673 2165 1 6 . 1 1 51 51 ILE H H 131 6.790 6.790 8.250 -1.460 17673 2166 1 6 . 1 1 52 52 HIS N N 132 121.710 121.710 115.697 6.013 17673 2167 1 6 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.803 0.169 17673 2168 1 6 . 1 1 52 52 HIS C C 132 172.680 172.680 174.121 -1.441 17673 2169 1 6 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.960 -0.850 17673 2170 1 6 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.374 0.456 17673 2171 1 6 . 1 1 52 52 HIS H H 132 8.064 8.064 7.643 0.421 17673 2172 1 6 . 1 1 53 53 VAL N N 133 118.360 118.360 117.370 0.990 17673 2173 1 6 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.174 -0.170 17673 2174 1 6 . 1 1 53 53 VAL C C 133 173.990 173.990 174.250 -0.260 17673 2175 1 6 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.363 0.937 17673 2176 1 6 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.777 -0.727 17673 2177 1 6 . 1 1 53 53 VAL H H 133 7.614 7.614 7.612 0.002 17673 2178 1 6 . 1 1 54 54 LYS N N 134 123.720 123.720 120.619 3.101 17673 2179 1 6 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.735 0.085 17673 2180 1 6 . 1 1 54 54 LYS C C 134 173.820 173.820 174.436 -0.616 17673 2181 1 6 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.526 0.694 17673 2182 1 6 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.633 0.997 17673 2183 1 6 . 1 1 54 54 LYS H H 134 9.207 9.207 8.842 0.365 17673 2184 1 6 . 1 1 55 55 ALA N N 135 121.610 121.610 121.029 0.581 17673 2185 1 6 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.869 0.567 17673 2186 1 6 . 1 1 55 55 ALA C C 135 177.670 177.670 177.058 0.612 17673 2187 1 6 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.333 -0.133 17673 2188 1 6 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.796 0.314 17673 2189 1 6 . 1 1 55 55 ALA H H 135 8.560 8.560 8.304 0.256 17673 2190 1 6 . 1 1 56 56 PHE N N 136 120.080 120.080 118.679 1.401 17673 2191 1 6 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.134 0.129 17673 2192 1 6 . 1 1 56 56 PHE C C 136 175.380 175.380 175.568 -0.188 17673 2193 1 6 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.012 -0.152 17673 2194 1 6 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.216 0.934 17673 2195 1 6 . 1 1 56 56 PHE H H 136 8.680 8.680 7.963 0.717 17673 2196 1 6 . 1 1 57 57 SER N N 137 117.820 117.820 113.462 4.358 17673 2197 1 6 . 1 1 57 57 SER HA H 137 4.367 4.367 4.163 0.204 17673 2198 1 6 . 1 1 57 57 SER CA C 137 57.350 57.350 58.602 -1.252 17673 2199 1 6 . 1 1 57 57 SER CB C 137 64.220 64.220 63.310 0.910 17673 2200 1 6 . 1 1 57 57 SER H H 137 7.298 7.298 7.229 0.069 17673 2201 1 6 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.734 0.444 17673 2202 1 6 . 1 1 58 58 LYS C C 138 176.260 176.260 177.984 -1.724 17673 2203 1 6 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.726 -1.986 17673 2204 1 6 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.532 0.268 17673 2205 1 6 . 1 1 59 59 ASP N N 139 120.500 120.500 119.205 1.295 17673 2206 1 6 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.369 0.156 17673 2207 1 6 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.801 -1.161 17673 2208 1 6 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.156 -0.176 17673 2209 1 6 . 1 1 59 59 ASP H H 139 8.245 8.245 8.441 -0.196 17673 2210 1 6 . 1 1 60 60 GLN N N 140 120.290 120.290 115.849 4.441 17673 2211 1 6 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.464 -0.217 17673 2212 1 6 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.948 1.112 17673 2213 1 6 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.088 -2.698 17673 2214 1 6 . 1 1 60 60 GLN H H 140 8.212 8.212 8.202 0.010 17673 2215 1 6 . 1 1 61 61 ASN N N 141 121.710 121.710 117.816 3.894 17673 2216 1 6 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.811 -0.090 17673 2217 1 6 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.889 -0.810 17673 2218 1 6 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.592 -0.682 17673 2219 1 6 . 1 1 61 61 ASN H H 141 8.064 8.064 8.636 -0.572 17673 2220 1 6 . 1 1 62 62 ILE N N 142 120.890 120.890 118.530 2.360 17673 2221 1 6 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.325 -0.153 17673 2222 1 6 . 1 1 62 62 ILE C C 142 176.330 176.330 176.198 0.132 17673 2223 1 6 . 1 1 62 62 ILE CA C 142 61.350 61.350 62.324 -0.974 17673 2224 1 6 . 1 1 62 62 ILE CB C 142 38.575 38.575 40.331 -1.756 17673 2225 1 6 . 1 1 62 62 ILE H H 142 8.010 8.010 8.821 -0.811 17673 2226 1 6 . 1 1 63 63 VAL N N 143 123.520 123.520 119.682 3.838 17673 2227 1 6 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.215 -0.107 17673 2228 1 6 . 1 1 63 63 VAL C C 143 176.740 176.740 177.079 -0.339 17673 2229 1 6 . 1 1 63 63 VAL CA C 143 62.710 62.710 62.559 0.151 17673 2230 1 6 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.876 -1.306 17673 2231 1 6 . 1 1 63 63 VAL H H 143 8.157 8.157 8.979 -0.822 17673 2232 1 6 . 1 1 64 64 GLY N N 144 112.060 112.060 108.937 3.123 17673 2233 1 6 . 1 1 64 64 GLY C C 144 173.940 173.940 173.903 0.037 17673 2234 1 6 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.341 -0.861 17673 2235 1 6 . 1 1 64 64 GLY H H 144 8.408 8.408 8.586 -0.178 17673 2236 1 6 . 1 1 65 65 ASN N N 145 118.830 118.830 116.538 2.292 17673 2237 1 6 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.689 0.027 17673 2238 1 6 . 1 1 65 65 ASN C C 145 175.220 175.220 173.606 1.614 17673 2239 1 6 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.154 1.006 17673 2240 1 6 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.897 -1.897 17673 2241 1 6 . 1 1 65 65 ASN H H 145 8.305 8.305 7.540 0.765 17673 2242 1 6 . 1 1 66 66 ALA N N 146 124.400 124.400 125.435 -1.035 17673 2243 1 6 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.510 -0.170 17673 2244 1 6 . 1 1 66 66 ALA C C 146 177.870 177.870 177.196 0.674 17673 2245 1 6 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.775 0.245 17673 2246 1 6 . 1 1 66 66 ALA CB C 146 19.090 19.090 20.202 -1.112 17673 2247 1 6 . 1 1 66 66 ALA H H 146 8.341 8.341 8.370 -0.029 17673 2248 1 6 . 1 1 284 284 ALA N N 364 124.540 124.540 127.529 -2.989 17673 2249 1 6 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.698 -0.434 17673 2250 1 6 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.018 0.637 17673 2251 1 6 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.120 -1.990 17673 2252 1 6 . 1 1 284 284 ALA H H 364 8.267 8.267 8.482 -0.215 17673 2253 1 6 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.630 0.194 17673 2254 1 6 . 1 1 285 285 HIS H H 365 8.447 8.447 7.863 0.584 17673 2255 1 6 . 1 1 286 286 SER N N 366 117.450 117.450 113.781 3.669 17673 2256 1 6 . 1 1 286 286 SER HA H 366 4.460 4.460 4.462 -0.002 17673 2257 1 6 . 1 1 286 286 SER CA C 366 58.330 58.330 57.313 1.017 17673 2258 1 6 . 1 1 286 286 SER CB C 366 64.030 64.030 65.165 -1.135 17673 2259 1 6 . 1 1 286 286 SER H H 366 8.287 8.287 7.505 0.782 17673 2260 1 6 . 1 1 287 287 SER N N 367 117.450 117.450 116.428 1.022 17673 2261 1 6 . 1 1 287 287 SER HA H 367 4.460 4.460 4.421 0.039 17673 2262 1 6 . 1 1 287 287 SER CA C 367 58.330 58.330 59.229 -0.899 17673 2263 1 6 . 1 1 287 287 SER CB C 367 64.030 64.030 63.344 0.685 17673 2264 1 6 . 1 1 287 287 SER H H 367 8.287 8.287 8.361 -0.074 17673 2265 1 6 . 1 1 292 292 LYS N N 372 123.390 123.390 120.745 2.645 17673 2266 1 6 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.611 -0.263 17673 2267 1 6 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.315 0.326 17673 2268 1 6 . 1 1 292 292 LYS CB C 372 33.150 33.150 33.341 -0.191 17673 2269 1 6 . 1 1 292 292 LYS H H 372 8.416 8.416 7.894 0.522 17673 2270 1 6 . 1 1 293 293 LYS N N 373 123.390 123.390 121.040 2.350 17673 2271 1 6 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.452 -0.104 17673 2272 1 6 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.496 -0.210 17673 2273 1 6 . 1 1 293 293 LYS CB C 373 33.150 33.150 33.156 -0.006 17673 2274 1 6 . 1 1 293 293 LYS H H 373 8.416 8.416 8.258 0.158 17673 2275 1 7 . 1 1 5 5 SER HA H 85 4.436 4.436 4.359 0.077 17673 2276 1 7 . 1 1 5 5 SER C C 85 173.840 173.840 172.675 1.165 17673 2277 1 7 . 1 1 5 5 SER CA C 85 58.100 58.100 58.420 -0.320 17673 2278 1 7 . 1 1 5 5 SER CB C 85 64.010 64.010 64.028 -0.018 17673 2279 1 7 . 1 1 6 6 GLU N N 86 122.440 122.440 120.874 1.566 17673 2280 1 7 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.331 -0.280 17673 2281 1 7 . 1 1 6 6 GLU C C 86 175.710 175.710 176.175 -0.465 17673 2282 1 7 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.367 1.752 17673 2283 1 7 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.580 -0.834 17673 2284 1 7 . 1 1 6 6 GLU H H 86 8.107 8.107 8.667 -0.560 17673 2285 1 7 . 1 1 7 7 PHE N N 87 118.700 118.700 115.958 2.742 17673 2286 1 7 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.230 0.643 17673 2287 1 7 . 1 1 7 7 PHE C C 87 174.600 174.600 174.708 -0.108 17673 2288 1 7 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.972 -1.847 17673 2289 1 7 . 1 1 7 7 PHE CB C 87 40.769 40.769 35.833 4.936 17673 2290 1 7 . 1 1 7 7 PHE H H 87 7.598 7.598 8.290 -0.692 17673 2291 1 7 . 1 1 8 8 GLN N N 88 118.630 118.630 117.042 1.588 17673 2292 1 7 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.526 0.152 17673 2293 1 7 . 1 1 8 8 GLN C C 88 175.670 175.670 176.385 -0.715 17673 2294 1 7 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.697 -1.242 17673 2295 1 7 . 1 1 8 8 GLN CB C 88 31.900 31.900 30.012 1.888 17673 2296 1 7 . 1 1 8 8 GLN H H 88 8.906 8.906 7.680 1.226 17673 2297 1 7 . 1 1 9 9 ILE N N 89 118.880 118.880 120.417 -1.537 17673 2298 1 7 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.621 -0.225 17673 2299 1 7 . 1 1 9 9 ILE C C 89 177.130 177.130 176.456 0.674 17673 2300 1 7 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.816 -0.124 17673 2301 1 7 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.586 -0.156 17673 2302 1 7 . 1 1 9 9 ILE H H 89 8.384 8.384 8.301 0.083 17673 2303 1 7 . 1 1 10 10 ASN N N 90 119.090 119.090 118.985 0.105 17673 2304 1 7 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.385 -0.141 17673 2305 1 7 . 1 1 10 10 ASN C C 90 173.870 173.870 173.774 0.096 17673 2306 1 7 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.961 0.729 17673 2307 1 7 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.977 0.423 17673 2308 1 7 . 1 1 10 10 ASN H H 90 9.136 9.136 8.889 0.247 17673 2309 1 7 . 1 1 11 11 GLU N N 91 122.200 122.200 117.751 4.449 17673 2310 1 7 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.650 -0.446 17673 2311 1 7 . 1 1 11 11 GLU C C 91 176.040 176.040 174.653 1.387 17673 2312 1 7 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.285 3.415 17673 2313 1 7 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.781 -1.401 17673 2314 1 7 . 1 1 11 11 GLU H H 91 8.157 8.157 7.758 0.399 17673 2315 1 7 . 1 1 12 12 GLN N N 92 124.360 124.360 120.651 3.709 17673 2316 1 7 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.080 -0.246 17673 2317 1 7 . 1 1 12 12 GLN C C 92 174.920 174.920 176.300 -1.380 17673 2318 1 7 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.719 -1.993 17673 2319 1 7 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.711 -0.719 17673 2320 1 7 . 1 1 12 12 GLN H H 92 8.605 8.605 8.755 -0.150 17673 2321 1 7 . 1 1 13 13 VAL N N 93 118.540 118.540 114.226 4.314 17673 2322 1 7 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.550 0.153 17673 2323 1 7 . 1 1 13 13 VAL C C 93 174.780 174.780 174.016 0.764 17673 2324 1 7 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.500 -0.967 17673 2325 1 7 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.448 0.539 17673 2326 1 7 . 1 1 13 13 VAL H H 93 8.997 8.997 9.070 -0.073 17673 2327 1 7 . 1 1 14 14 LEU N N 94 118.610 118.610 121.712 -3.102 17673 2328 1 7 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.180 -0.178 17673 2329 1 7 . 1 1 14 14 LEU C C 94 175.290 175.290 175.526 -0.236 17673 2330 1 7 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.720 0.138 17673 2331 1 7 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.169 1.489 17673 2332 1 7 . 1 1 14 14 LEU H H 94 8.618 8.618 8.622 -0.004 17673 2333 1 7 . 1 1 15 15 ALA N N 95 122.870 122.870 126.891 -4.021 17673 2334 1 7 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.581 0.284 17673 2335 1 7 . 1 1 15 15 ALA C C 95 176.220 176.220 176.799 -0.579 17673 2336 1 7 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.111 -0.161 17673 2337 1 7 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.712 0.428 17673 2338 1 7 . 1 1 15 15 ALA H H 95 9.335 9.335 9.399 -0.064 17673 2339 1 7 . 1 1 16 16 SER N N 96 117.200 117.200 118.279 -1.079 17673 2340 1 7 . 1 1 16 16 SER HA H 96 4.520 4.520 4.557 -0.037 17673 2341 1 7 . 1 1 16 16 SER C C 96 174.250 174.250 173.739 0.511 17673 2342 1 7 . 1 1 16 16 SER CA C 96 57.245 57.245 59.425 -2.180 17673 2343 1 7 . 1 1 16 16 SER CB C 96 63.974 63.974 63.884 0.090 17673 2344 1 7 . 1 1 16 16 SER H H 96 8.513 8.513 8.978 -0.465 17673 2345 1 7 . 1 1 17 17 TRP N N 97 125.340 125.340 127.430 -2.090 17673 2346 1 7 . 1 1 17 17 TRP HA H 97 5.237 5.237 5.136 0.101 17673 2347 1 7 . 1 1 17 17 TRP C C 97 176.630 176.630 176.821 -0.191 17673 2348 1 7 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.406 -1.516 17673 2349 1 7 . 1 1 17 17 TRP CB C 97 31.020 31.020 32.131 -1.111 17673 2350 1 7 . 1 1 17 17 TRP H H 97 8.621 8.621 8.645 -0.024 17673 2351 1 7 . 1 1 18 18 SER N N 98 118.120 118.120 118.937 -0.817 17673 2352 1 7 . 1 1 18 18 SER HA H 98 3.912 3.912 3.960 -0.048 17673 2353 1 7 . 1 1 18 18 SER C C 98 173.650 173.650 175.336 -1.686 17673 2354 1 7 . 1 1 18 18 SER CA C 98 59.400 59.400 60.667 -1.267 17673 2355 1 7 . 1 1 18 18 SER CB C 98 62.330 62.330 62.960 -0.630 17673 2356 1 7 . 1 1 18 18 SER H H 98 6.530 6.530 8.510 -1.980 17673 2357 1 7 . 1 1 19 19 ASP N N 99 119.980 119.980 118.454 1.526 17673 2358 1 7 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.238 0.202 17673 2359 1 7 . 1 1 19 19 ASP C C 99 176.200 176.200 176.640 -0.440 17673 2360 1 7 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.922 -2.502 17673 2361 1 7 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.342 -1.152 17673 2362 1 7 . 1 1 19 19 ASP H H 99 7.834 7.834 7.556 0.278 17673 2363 1 7 . 1 1 20 20 SER N N 100 110.670 110.670 109.711 0.959 17673 2364 1 7 . 1 1 20 20 SER HA H 100 3.923 3.923 4.472 -0.549 17673 2365 1 7 . 1 1 20 20 SER C C 100 173.090 173.090 173.790 -0.700 17673 2366 1 7 . 1 1 20 20 SER CA C 100 60.410 60.410 58.911 1.499 17673 2367 1 7 . 1 1 20 20 SER CB C 100 62.350 62.350 64.573 -2.224 17673 2368 1 7 . 1 1 20 20 SER H H 100 8.127 8.127 8.409 -0.282 17673 2369 1 7 . 1 1 21 21 ARG N N 101 120.850 120.850 120.818 0.032 17673 2370 1 7 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.333 0.138 17673 2371 1 7 . 1 1 21 21 ARG C C 101 174.190 174.190 174.814 -0.624 17673 2372 1 7 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.575 0.435 17673 2373 1 7 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.638 0.362 17673 2374 1 7 . 1 1 21 21 ARG H H 101 8.097 8.097 8.032 0.065 17673 2375 1 7 . 1 1 22 22 PHE N N 102 118.370 118.370 119.631 -1.261 17673 2376 1 7 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.394 0.439 17673 2377 1 7 . 1 1 22 22 PHE C C 102 175.840 175.840 174.884 0.956 17673 2378 1 7 . 1 1 22 22 PHE CA C 102 57.740 57.740 60.127 -2.387 17673 2379 1 7 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.459 2.562 17673 2380 1 7 . 1 1 22 22 PHE H H 102 8.400 8.400 7.514 0.886 17673 2381 1 7 . 1 1 23 23 TYR N N 103 119.450 119.450 121.922 -2.472 17673 2382 1 7 . 1 1 23 23 TYR HA H 103 5.140 5.140 4.993 0.147 17673 2383 1 7 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.758 -0.049 17673 2384 1 7 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.889 -0.229 17673 2385 1 7 . 1 1 23 23 TYR H H 103 9.263 9.263 8.874 0.389 17673 2386 1 7 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.314 -0.286 17673 2387 1 7 . 1 1 24 24 PRO C C 104 175.500 175.500 175.874 -0.374 17673 2388 1 7 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.769 1.091 17673 2389 1 7 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.670 -0.071 17673 2390 1 7 . 1 1 25 25 ALA N N 105 124.530 124.530 122.160 2.370 17673 2391 1 7 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.031 0.767 17673 2392 1 7 . 1 1 25 25 ALA C C 105 174.470 174.470 174.575 -0.105 17673 2393 1 7 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.847 0.033 17673 2394 1 7 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.544 0.856 17673 2395 1 7 . 1 1 25 25 ALA H H 105 9.121 9.121 8.884 0.237 17673 2396 1 7 . 1 1 26 26 LYS N N 106 117.940 117.940 120.540 -2.600 17673 2397 1 7 . 1 1 26 26 LYS HA H 106 5.217 5.217 5.005 0.212 17673 2398 1 7 . 1 1 26 26 LYS C C 106 176.420 176.420 175.940 0.480 17673 2399 1 7 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.624 -0.624 17673 2400 1 7 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.090 0.991 17673 2401 1 7 . 1 1 26 26 LYS H H 106 8.064 8.064 8.446 -0.382 17673 2402 1 7 . 1 1 27 27 VAL N N 107 123.950 123.950 126.935 -2.985 17673 2403 1 7 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.138 -0.182 17673 2404 1 7 . 1 1 27 27 VAL C C 107 177.040 177.040 176.645 0.395 17673 2405 1 7 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.027 0.033 17673 2406 1 7 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.760 0.170 17673 2407 1 7 . 1 1 27 27 VAL H H 107 8.264 8.264 8.830 -0.566 17673 2408 1 7 . 1 1 28 28 THR N N 108 121.600 121.600 119.303 2.297 17673 2409 1 7 . 1 1 28 28 THR HA H 108 4.680 4.680 4.547 0.133 17673 2410 1 7 . 1 1 28 28 THR C C 108 175.270 175.270 174.589 0.681 17673 2411 1 7 . 1 1 28 28 THR CA C 108 62.180 62.180 61.658 0.522 17673 2412 1 7 . 1 1 28 28 THR CB C 108 68.940 68.940 70.375 -1.435 17673 2413 1 7 . 1 1 28 28 THR H H 108 9.633 9.633 8.872 0.761 17673 2414 1 7 . 1 1 29 29 ALA N N 109 123.390 123.390 123.209 0.181 17673 2415 1 7 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.633 -0.194 17673 2416 1 7 . 1 1 29 29 ALA C C 109 174.910 174.910 174.805 0.105 17673 2417 1 7 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.855 1.555 17673 2418 1 7 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.218 0.997 17673 2419 1 7 . 1 1 29 29 ALA H H 109 8.058 8.058 7.773 0.285 17673 2420 1 7 . 1 1 30 30 VAL N N 110 123.310 123.310 118.644 4.666 17673 2421 1 7 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.188 -0.088 17673 2422 1 7 . 1 1 30 30 VAL C C 110 175.510 175.510 174.510 1.000 17673 2423 1 7 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.314 1.366 17673 2424 1 7 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.387 -2.657 17673 2425 1 7 . 1 1 30 30 VAL H H 110 8.541 8.541 8.273 0.268 17673 2426 1 7 . 1 1 31 31 ASN N N 111 123.230 123.230 124.292 -1.062 17673 2427 1 7 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.991 -0.054 17673 2428 1 7 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.909 1.186 17673 2429 1 7 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.618 -1.068 17673 2430 1 7 . 1 1 31 31 ASN H H 111 7.957 7.957 8.777 -0.820 17673 2431 1 7 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.963 0.221 17673 2432 1 7 . 1 1 32 32 LYS C C 112 176.120 176.120 177.202 -1.082 17673 2433 1 7 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.238 0.072 17673 2434 1 7 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.251 -0.341 17673 2435 1 7 . 1 1 33 33 ASP N N 113 117.410 117.410 116.600 0.810 17673 2436 1 7 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.456 0.076 17673 2437 1 7 . 1 1 33 33 ASP C C 113 177.040 177.040 177.113 -0.073 17673 2438 1 7 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.934 -2.047 17673 2439 1 7 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.139 -1.149 17673 2440 1 7 . 1 1 33 33 ASP H H 113 7.867 7.867 8.070 -0.203 17673 2441 1 7 . 1 1 34 34 GLY N N 114 107.300 107.300 106.233 1.067 17673 2442 1 7 . 1 1 34 34 GLY C C 114 174.640 174.640 173.347 1.293 17673 2443 1 7 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.774 1.016 17673 2444 1 7 . 1 1 34 34 GLY H H 114 7.944 7.944 8.080 -0.136 17673 2445 1 7 . 1 1 35 35 THR N N 115 108.940 108.940 110.814 -1.874 17673 2446 1 7 . 1 1 35 35 THR HA H 115 4.824 4.824 5.377 -0.553 17673 2447 1 7 . 1 1 35 35 THR C C 115 173.650 173.650 172.372 1.278 17673 2448 1 7 . 1 1 35 35 THR CA C 115 60.640 60.640 59.540 1.100 17673 2449 1 7 . 1 1 35 35 THR CB C 115 72.740 72.740 72.335 0.405 17673 2450 1 7 . 1 1 35 35 THR H H 115 7.381 7.381 7.743 -0.362 17673 2451 1 7 . 1 1 36 36 TYR N N 116 116.170 116.170 118.127 -1.957 17673 2452 1 7 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.994 0.181 17673 2453 1 7 . 1 1 36 36 TYR C C 116 175.890 175.890 174.331 1.559 17673 2454 1 7 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.588 -0.578 17673 2455 1 7 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.906 -1.736 17673 2456 1 7 . 1 1 36 36 TYR H H 116 9.058 9.058 9.383 -0.325 17673 2457 1 7 . 1 1 37 37 THR N N 117 120.780 120.780 118.821 1.959 17673 2458 1 7 . 1 1 37 37 THR HA H 117 5.116 5.116 5.331 -0.215 17673 2459 1 7 . 1 1 37 37 THR C C 117 173.990 173.990 173.308 0.682 17673 2460 1 7 . 1 1 37 37 THR CA C 117 63.060 63.060 61.306 1.754 17673 2461 1 7 . 1 1 37 37 THR CB C 117 69.255 69.255 70.973 -1.718 17673 2462 1 7 . 1 1 37 37 THR H H 117 9.035 9.035 8.984 0.051 17673 2463 1 7 . 1 1 38 38 VAL N N 118 120.000 120.000 120.145 -0.145 17673 2464 1 7 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.102 0.147 17673 2465 1 7 . 1 1 38 38 VAL C C 118 172.390 172.390 173.121 -0.731 17673 2466 1 7 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.525 -1.785 17673 2467 1 7 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.544 -0.613 17673 2468 1 7 . 1 1 38 38 VAL H H 118 9.183 9.183 9.108 0.075 17673 2469 1 7 . 1 1 39 39 LYS N N 119 121.000 121.000 122.117 -1.117 17673 2470 1 7 . 1 1 39 39 LYS HA H 119 5.062 5.062 4.947 0.115 17673 2471 1 7 . 1 1 39 39 LYS C C 119 178.050 178.050 175.170 2.880 17673 2472 1 7 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.137 0.073 17673 2473 1 7 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.724 -0.804 17673 2474 1 7 . 1 1 39 39 LYS H H 119 8.802 8.802 8.769 0.033 17673 2475 1 7 . 1 1 40 40 PHE N N 120 127.480 127.480 125.322 2.158 17673 2476 1 7 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.258 0.488 17673 2477 1 7 . 1 1 40 40 PHE C C 120 178.110 178.110 176.948 1.162 17673 2478 1 7 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.248 2.362 17673 2479 1 7 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.847 2.193 17673 2480 1 7 . 1 1 40 40 PHE H H 120 9.634 9.634 9.027 0.607 17673 2481 1 7 . 1 1 41 41 TYR N N 121 119.600 119.600 122.444 -2.844 17673 2482 1 7 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.226 0.178 17673 2483 1 7 . 1 1 41 41 TYR C C 121 174.890 174.890 176.907 -2.017 17673 2484 1 7 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.666 -0.754 17673 2485 1 7 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.947 -0.507 17673 2486 1 7 . 1 1 41 41 TYR H H 121 8.679 8.679 8.148 0.531 17673 2487 1 7 . 1 1 42 42 ASP N N 122 117.780 117.780 117.561 0.219 17673 2488 1 7 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.500 -0.187 17673 2489 1 7 . 1 1 42 42 ASP C C 122 176.810 176.810 177.416 -0.606 17673 2490 1 7 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.964 -2.294 17673 2491 1 7 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.265 -2.555 17673 2492 1 7 . 1 1 42 42 ASP H H 122 7.128 7.128 7.947 -0.819 17673 2493 1 7 . 1 1 43 43 GLY N N 123 108.200 108.200 106.160 2.040 17673 2494 1 7 . 1 1 43 43 GLY C C 123 173.670 173.670 174.254 -0.584 17673 2495 1 7 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.646 0.604 17673 2496 1 7 . 1 1 43 43 GLY H H 123 8.242 8.242 8.067 0.175 17673 2497 1 7 . 1 1 44 44 VAL N N 124 121.320 121.320 121.234 0.086 17673 2498 1 7 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.065 -0.222 17673 2499 1 7 . 1 1 44 44 VAL C C 124 174.610 174.610 175.251 -0.641 17673 2500 1 7 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.140 0.830 17673 2501 1 7 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.769 -0.529 17673 2502 1 7 . 1 1 44 44 VAL H H 124 6.877 6.877 7.863 -0.986 17673 2503 1 7 . 1 1 45 45 VAL N N 125 129.030 129.030 124.108 4.922 17673 2504 1 7 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.039 0.230 17673 2505 1 7 . 1 1 45 45 VAL C C 125 176.640 176.640 175.212 1.428 17673 2506 1 7 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.673 0.407 17673 2507 1 7 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.526 -1.106 17673 2508 1 7 . 1 1 45 45 VAL H H 125 8.529 8.529 8.367 0.162 17673 2509 1 7 . 1 1 46 46 GLN N N 126 125.880 125.880 125.229 0.651 17673 2510 1 7 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.884 -0.047 17673 2511 1 7 . 1 1 46 46 GLN C C 126 173.960 173.960 174.327 -0.367 17673 2512 1 7 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.337 0.303 17673 2513 1 7 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.491 2.189 17673 2514 1 7 . 1 1 46 46 GLN H H 126 8.989 8.989 9.093 -0.104 17673 2515 1 7 . 1 1 47 47 THR N N 127 121.970 121.970 119.164 2.806 17673 2516 1 7 . 1 1 47 47 THR HA H 127 5.347 5.347 5.411 -0.064 17673 2517 1 7 . 1 1 47 47 THR C C 127 174.500 174.500 174.257 0.243 17673 2518 1 7 . 1 1 47 47 THR CA C 127 62.730 62.730 61.832 0.898 17673 2519 1 7 . 1 1 47 47 THR CB C 127 69.540 69.540 69.741 -0.201 17673 2520 1 7 . 1 1 47 47 THR H H 127 8.912 8.912 8.577 0.335 17673 2521 1 7 . 1 1 48 48 VAL N N 128 121.810 121.810 119.729 2.081 17673 2522 1 7 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.030 -0.028 17673 2523 1 7 . 1 1 48 48 VAL C C 128 174.840 174.840 174.074 0.766 17673 2524 1 7 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.433 -0.383 17673 2525 1 7 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.289 0.551 17673 2526 1 7 . 1 1 48 48 VAL H H 128 9.513 9.513 9.177 0.336 17673 2527 1 7 . 1 1 49 49 LYS N N 129 121.050 121.050 118.890 2.160 17673 2528 1 7 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.936 -0.500 17673 2529 1 7 . 1 1 49 49 LYS C C 129 178.110 178.110 178.242 -0.132 17673 2530 1 7 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.020 2.091 17673 2531 1 7 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.191 -0.021 17673 2532 1 7 . 1 1 49 49 LYS H H 129 9.021 9.021 8.816 0.205 17673 2533 1 7 . 1 1 50 50 HIS N N 130 119.600 119.600 120.995 -1.395 17673 2534 1 7 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.441 0.035 17673 2535 1 7 . 1 1 50 50 HIS C C 130 176.820 176.820 177.528 -0.708 17673 2536 1 7 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.920 0.430 17673 2537 1 7 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.181 0.279 17673 2538 1 7 . 1 1 50 50 HIS H H 130 8.679 8.679 8.677 0.002 17673 2539 1 7 . 1 1 51 51 ILE N N 131 109.320 109.320 113.059 -3.739 17673 2540 1 7 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.575 0.685 17673 2541 1 7 . 1 1 51 51 ILE C C 131 176.350 176.350 175.672 0.678 17673 2542 1 7 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.742 -0.032 17673 2543 1 7 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.836 1.224 17673 2544 1 7 . 1 1 51 51 ILE H H 131 6.790 6.790 8.216 -1.426 17673 2545 1 7 . 1 1 52 52 HIS N N 132 121.710 121.710 116.045 5.665 17673 2546 1 7 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.729 0.243 17673 2547 1 7 . 1 1 52 52 HIS C C 132 172.680 172.680 174.356 -1.676 17673 2548 1 7 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.070 -0.960 17673 2549 1 7 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.160 0.670 17673 2550 1 7 . 1 1 52 52 HIS H H 132 8.064 8.064 7.508 0.556 17673 2551 1 7 . 1 1 53 53 VAL N N 133 118.360 118.360 117.448 0.912 17673 2552 1 7 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.124 -0.120 17673 2553 1 7 . 1 1 53 53 VAL C C 133 173.990 173.990 173.946 0.044 17673 2554 1 7 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.773 0.527 17673 2555 1 7 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.764 -0.714 17673 2556 1 7 . 1 1 53 53 VAL H H 133 7.614 7.614 7.657 -0.043 17673 2557 1 7 . 1 1 54 54 LYS N N 134 123.720 123.720 121.272 2.448 17673 2558 1 7 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.758 0.062 17673 2559 1 7 . 1 1 54 54 LYS C C 134 173.820 173.820 174.543 -0.723 17673 2560 1 7 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.508 0.712 17673 2561 1 7 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.713 0.917 17673 2562 1 7 . 1 1 54 54 LYS H H 134 9.207 9.207 8.717 0.490 17673 2563 1 7 . 1 1 55 55 ALA N N 135 121.610 121.610 121.153 0.457 17673 2564 1 7 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.946 0.490 17673 2565 1 7 . 1 1 55 55 ALA C C 135 177.670 177.670 176.964 0.706 17673 2566 1 7 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.121 0.079 17673 2567 1 7 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.730 0.381 17673 2568 1 7 . 1 1 55 55 ALA H H 135 8.560 8.560 8.299 0.261 17673 2569 1 7 . 1 1 56 56 PHE N N 136 120.080 120.080 118.384 1.696 17673 2570 1 7 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.172 0.091 17673 2571 1 7 . 1 1 56 56 PHE C C 136 175.380 175.380 175.586 -0.206 17673 2572 1 7 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.275 -0.415 17673 2573 1 7 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.266 0.884 17673 2574 1 7 . 1 1 56 56 PHE H H 136 8.680 8.680 8.305 0.375 17673 2575 1 7 . 1 1 57 57 SER N N 137 117.820 117.820 113.954 3.866 17673 2576 1 7 . 1 1 57 57 SER HA H 137 4.367 4.367 4.182 0.185 17673 2577 1 7 . 1 1 57 57 SER CA C 137 57.350 57.350 58.635 -1.284 17673 2578 1 7 . 1 1 57 57 SER CB C 137 64.220 64.220 63.032 1.188 17673 2579 1 7 . 1 1 57 57 SER H H 137 7.298 7.298 7.176 0.122 17673 2580 1 7 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.675 0.503 17673 2581 1 7 . 1 1 58 58 LYS C C 138 176.260 176.260 177.739 -1.479 17673 2582 1 7 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.102 -2.362 17673 2583 1 7 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.356 0.444 17673 2584 1 7 . 1 1 59 59 ASP N N 139 120.500 120.500 119.032 1.468 17673 2585 1 7 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.322 0.203 17673 2586 1 7 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.931 -1.291 17673 2587 1 7 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.224 -0.244 17673 2588 1 7 . 1 1 59 59 ASP H H 139 8.245 8.245 8.398 -0.153 17673 2589 1 7 . 1 1 60 60 GLN N N 140 120.290 120.290 114.759 5.531 17673 2590 1 7 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.451 -0.204 17673 2591 1 7 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.794 1.266 17673 2592 1 7 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.361 -2.971 17673 2593 1 7 . 1 1 60 60 GLN H H 140 8.212 8.212 7.994 0.218 17673 2594 1 7 . 1 1 61 61 ASN N N 141 121.710 121.710 118.262 3.448 17673 2595 1 7 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.715 0.006 17673 2596 1 7 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.257 -1.178 17673 2597 1 7 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.486 -0.576 17673 2598 1 7 . 1 1 61 61 ASN H H 141 8.064 8.064 8.735 -0.671 17673 2599 1 7 . 1 1 62 62 ILE N N 142 120.890 120.890 120.532 0.358 17673 2600 1 7 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.363 -0.191 17673 2601 1 7 . 1 1 62 62 ILE C C 142 176.330 176.330 174.796 1.534 17673 2602 1 7 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.809 -0.459 17673 2603 1 7 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.036 0.539 17673 2604 1 7 . 1 1 62 62 ILE H H 142 8.010 8.010 8.977 -0.967 17673 2605 1 7 . 1 1 63 63 VAL N N 143 123.520 123.520 120.937 2.583 17673 2606 1 7 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.327 -0.219 17673 2607 1 7 . 1 1 63 63 VAL C C 143 176.740 176.740 176.905 -0.165 17673 2608 1 7 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.576 -0.866 17673 2609 1 7 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.860 -1.290 17673 2610 1 7 . 1 1 63 63 VAL H H 143 8.157 8.157 8.872 -0.715 17673 2611 1 7 . 1 1 64 64 GLY N N 144 112.060 112.060 109.874 2.186 17673 2612 1 7 . 1 1 64 64 GLY C C 144 173.940 173.940 174.067 -0.127 17673 2613 1 7 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.509 -1.029 17673 2614 1 7 . 1 1 64 64 GLY H H 144 8.408 8.408 8.094 0.314 17673 2615 1 7 . 1 1 65 65 ASN N N 145 118.830 118.830 118.383 0.447 17673 2616 1 7 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.613 0.103 17673 2617 1 7 . 1 1 65 65 ASN C C 145 175.220 175.220 173.220 2.000 17673 2618 1 7 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.393 0.767 17673 2619 1 7 . 1 1 65 65 ASN CB C 145 39.000 39.000 39.015 -0.015 17673 2620 1 7 . 1 1 65 65 ASN H H 145 8.305 8.305 8.259 0.046 17673 2621 1 7 . 1 1 66 66 ALA N N 146 124.400 124.400 124.785 -0.385 17673 2622 1 7 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.297 0.043 17673 2623 1 7 . 1 1 66 66 ALA C C 146 177.870 177.870 177.194 0.676 17673 2624 1 7 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.901 0.119 17673 2625 1 7 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.477 -0.387 17673 2626 1 7 . 1 1 66 66 ALA H H 146 8.341 8.341 8.369 -0.028 17673 2627 1 7 . 1 1 284 284 ALA N N 364 124.540 124.540 125.782 -1.242 17673 2628 1 7 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.702 -0.438 17673 2629 1 7 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.050 0.605 17673 2630 1 7 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.625 -1.495 17673 2631 1 7 . 1 1 284 284 ALA H H 364 8.267 8.267 8.616 -0.349 17673 2632 1 7 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.949 -0.124 17673 2633 1 7 . 1 1 285 285 HIS H H 365 8.447 8.447 7.852 0.595 17673 2634 1 7 . 1 1 286 286 SER N N 366 117.450 117.450 112.585 4.865 17673 2635 1 7 . 1 1 286 286 SER HA H 366 4.460 4.460 4.646 -0.186 17673 2636 1 7 . 1 1 286 286 SER CA C 366 58.330 58.330 56.578 1.752 17673 2637 1 7 . 1 1 286 286 SER CB C 366 64.030 64.030 64.085 -0.055 17673 2638 1 7 . 1 1 286 286 SER H H 366 8.287 8.287 8.016 0.271 17673 2639 1 7 . 1 1 287 287 SER N N 367 117.450 117.450 115.575 1.875 17673 2640 1 7 . 1 1 287 287 SER HA H 367 4.460 4.460 4.686 -0.226 17673 2641 1 7 . 1 1 287 287 SER CA C 367 58.330 58.330 58.295 0.035 17673 2642 1 7 . 1 1 287 287 SER CB C 367 64.030 64.030 64.529 -0.499 17673 2643 1 7 . 1 1 287 287 SER H H 367 8.287 8.287 8.313 -0.026 17673 2644 1 7 . 1 1 292 292 LYS N N 372 123.390 123.390 123.621 -0.231 17673 2645 1 7 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.331 0.017 17673 2646 1 7 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.989 -0.349 17673 2647 1 7 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.786 0.364 17673 2648 1 7 . 1 1 292 292 LYS H H 372 8.416 8.416 8.064 0.352 17673 2649 1 7 . 1 1 293 293 LYS N N 373 123.390 123.390 120.985 2.405 17673 2650 1 7 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.217 0.131 17673 2651 1 7 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.369 -0.083 17673 2652 1 7 . 1 1 293 293 LYS CB C 373 33.150 33.150 33.094 0.056 17673 2653 1 7 . 1 1 293 293 LYS H H 373 8.416 8.416 7.711 0.705 17673 2654 1 8 . 1 1 5 5 SER HA H 85 4.436 4.436 4.563 -0.127 17673 2655 1 8 . 1 1 5 5 SER C C 85 173.840 173.840 172.904 0.936 17673 2656 1 8 . 1 1 5 5 SER CA C 85 58.100 58.100 58.112 -0.012 17673 2657 1 8 . 1 1 5 5 SER CB C 85 64.010 64.010 65.160 -1.150 17673 2658 1 8 . 1 1 6 6 GLU N N 86 122.440 122.440 120.945 1.495 17673 2659 1 8 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.359 -0.308 17673 2660 1 8 . 1 1 6 6 GLU C C 86 175.710 175.710 175.183 0.527 17673 2661 1 8 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.516 1.603 17673 2662 1 8 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.759 -1.013 17673 2663 1 8 . 1 1 6 6 GLU H H 86 8.107 8.107 9.113 -1.006 17673 2664 1 8 . 1 1 7 7 PHE N N 87 118.700 118.700 116.687 2.013 17673 2665 1 8 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.115 0.758 17673 2666 1 8 . 1 1 7 7 PHE C C 87 174.600 174.600 174.919 -0.319 17673 2667 1 8 . 1 1 7 7 PHE CA C 87 57.125 57.125 59.089 -1.964 17673 2668 1 8 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.038 4.731 17673 2669 1 8 . 1 1 7 7 PHE H H 87 7.598 7.598 7.874 -0.276 17673 2670 1 8 . 1 1 8 8 GLN N N 88 118.630 118.630 117.360 1.270 17673 2671 1 8 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.527 0.151 17673 2672 1 8 . 1 1 8 8 GLN C C 88 175.670 175.670 176.694 -1.024 17673 2673 1 8 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.670 -1.215 17673 2674 1 8 . 1 1 8 8 GLN CB C 88 31.900 31.900 30.066 1.834 17673 2675 1 8 . 1 1 8 8 GLN H H 88 8.906 8.906 8.202 0.704 17673 2676 1 8 . 1 1 9 9 ILE N N 89 118.880 118.880 120.768 -1.888 17673 2677 1 8 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.605 -0.209 17673 2678 1 8 . 1 1 9 9 ILE C C 89 177.130 177.130 176.472 0.658 17673 2679 1 8 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.947 -0.255 17673 2680 1 8 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.551 -0.121 17673 2681 1 8 . 1 1 9 9 ILE H H 89 8.384 8.384 8.337 0.047 17673 2682 1 8 . 1 1 10 10 ASN N N 90 119.090 119.090 117.276 1.814 17673 2683 1 8 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.391 -0.147 17673 2684 1 8 . 1 1 10 10 ASN C C 90 173.870 173.870 174.729 -0.859 17673 2685 1 8 . 1 1 10 10 ASN CA C 90 55.690 55.690 55.461 0.229 17673 2686 1 8 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.122 0.278 17673 2687 1 8 . 1 1 10 10 ASN H H 90 9.136 9.136 8.739 0.397 17673 2688 1 8 . 1 1 11 11 GLU N N 91 122.200 122.200 119.330 2.870 17673 2689 1 8 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.621 -0.417 17673 2690 1 8 . 1 1 11 11 GLU C C 91 176.040 176.040 175.381 0.659 17673 2691 1 8 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.935 2.765 17673 2692 1 8 . 1 1 11 11 GLU CB C 91 31.380 31.380 31.607 -0.227 17673 2693 1 8 . 1 1 11 11 GLU H H 91 8.157 8.157 7.780 0.377 17673 2694 1 8 . 1 1 12 12 GLN N N 92 124.360 124.360 118.453 5.907 17673 2695 1 8 . 1 1 12 12 GLN HA H 92 4.834 4.834 4.884 -0.050 17673 2696 1 8 . 1 1 12 12 GLN C C 92 174.920 174.920 176.158 -1.238 17673 2697 1 8 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.582 -1.856 17673 2698 1 8 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.244 -0.252 17673 2699 1 8 . 1 1 12 12 GLN H H 92 8.605 8.605 8.668 -0.063 17673 2700 1 8 . 1 1 13 13 VAL N N 93 118.540 118.540 114.299 4.241 17673 2701 1 8 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.553 0.150 17673 2702 1 8 . 1 1 13 13 VAL C C 93 174.780 174.780 174.041 0.739 17673 2703 1 8 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.484 -0.951 17673 2704 1 8 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.377 0.610 17673 2705 1 8 . 1 1 13 13 VAL H H 93 8.997 8.997 9.034 -0.037 17673 2706 1 8 . 1 1 14 14 LEU N N 94 118.610 118.610 120.982 -2.372 17673 2707 1 8 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.342 -0.340 17673 2708 1 8 . 1 1 14 14 LEU C C 94 175.290 175.290 175.548 -0.258 17673 2709 1 8 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.597 0.261 17673 2710 1 8 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.828 0.830 17673 2711 1 8 . 1 1 14 14 LEU H H 94 8.618 8.618 8.666 -0.048 17673 2712 1 8 . 1 1 15 15 ALA N N 95 122.870 122.870 125.944 -3.074 17673 2713 1 8 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.593 0.272 17673 2714 1 8 . 1 1 15 15 ALA C C 95 176.220 176.220 176.676 -0.456 17673 2715 1 8 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.379 -0.429 17673 2716 1 8 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.943 0.197 17673 2717 1 8 . 1 1 15 15 ALA H H 95 9.335 9.335 9.474 -0.139 17673 2718 1 8 . 1 1 16 16 SER N N 96 117.200 117.200 120.397 -3.197 17673 2719 1 8 . 1 1 16 16 SER HA H 96 4.520 4.520 4.515 0.005 17673 2720 1 8 . 1 1 16 16 SER C C 96 174.250 174.250 174.083 0.167 17673 2721 1 8 . 1 1 16 16 SER CA C 96 57.245 57.245 59.194 -1.949 17673 2722 1 8 . 1 1 16 16 SER CB C 96 63.974 63.974 63.047 0.927 17673 2723 1 8 . 1 1 16 16 SER H H 96 8.513 8.513 8.859 -0.346 17673 2724 1 8 . 1 1 17 17 TRP N N 97 125.340 125.340 130.109 -4.769 17673 2725 1 8 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.133 1.104 17673 2726 1 8 . 1 1 17 17 TRP C C 97 176.630 176.630 176.946 -0.316 17673 2727 1 8 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.898 -2.008 17673 2728 1 8 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.058 0.962 17673 2729 1 8 . 1 1 17 17 TRP H H 97 8.621 8.621 8.810 -0.189 17673 2730 1 8 . 1 1 18 18 SER N N 98 118.120 118.120 117.872 0.248 17673 2731 1 8 . 1 1 18 18 SER HA H 98 3.912 3.912 3.894 0.018 17673 2732 1 8 . 1 1 18 18 SER C C 98 173.650 173.650 175.025 -1.375 17673 2733 1 8 . 1 1 18 18 SER CA C 98 59.400 59.400 60.581 -1.181 17673 2734 1 8 . 1 1 18 18 SER CB C 98 62.330 62.330 62.813 -0.483 17673 2735 1 8 . 1 1 18 18 SER H H 98 6.530 6.530 7.932 -1.402 17673 2736 1 8 . 1 1 19 19 ASP N N 99 119.980 119.980 118.325 1.655 17673 2737 1 8 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.235 0.205 17673 2738 1 8 . 1 1 19 19 ASP C C 99 176.200 176.200 176.527 -0.327 17673 2739 1 8 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.759 -2.339 17673 2740 1 8 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.284 -1.094 17673 2741 1 8 . 1 1 19 19 ASP H H 99 7.834 7.834 7.678 0.156 17673 2742 1 8 . 1 1 20 20 SER N N 100 110.670 110.670 111.361 -0.691 17673 2743 1 8 . 1 1 20 20 SER HA H 100 3.923 3.923 4.454 -0.531 17673 2744 1 8 . 1 1 20 20 SER C C 100 173.090 173.090 173.385 -0.295 17673 2745 1 8 . 1 1 20 20 SER CA C 100 60.410 60.410 58.694 1.716 17673 2746 1 8 . 1 1 20 20 SER CB C 100 62.350 62.350 63.845 -1.495 17673 2747 1 8 . 1 1 20 20 SER H H 100 8.127 8.127 8.348 -0.221 17673 2748 1 8 . 1 1 21 21 ARG N N 101 120.850 120.850 120.875 -0.025 17673 2749 1 8 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.468 0.003 17673 2750 1 8 . 1 1 21 21 ARG C C 101 174.190 174.190 174.710 -0.520 17673 2751 1 8 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.635 0.375 17673 2752 1 8 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.901 0.099 17673 2753 1 8 . 1 1 21 21 ARG H H 101 8.097 8.097 8.197 -0.100 17673 2754 1 8 . 1 1 22 22 PHE N N 102 118.370 118.370 119.129 -0.759 17673 2755 1 8 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.684 0.149 17673 2756 1 8 . 1 1 22 22 PHE C C 102 175.840 175.840 176.280 -0.440 17673 2757 1 8 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.124 -1.384 17673 2758 1 8 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.813 2.207 17673 2759 1 8 . 1 1 22 22 PHE H H 102 8.400 8.400 7.971 0.429 17673 2760 1 8 . 1 1 23 23 TYR N N 103 119.450 119.450 121.854 -2.404 17673 2761 1 8 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.143 -0.003 17673 2762 1 8 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.886 -0.176 17673 2763 1 8 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.021 -0.361 17673 2764 1 8 . 1 1 23 23 TYR H H 103 9.263 9.263 9.255 0.008 17673 2765 1 8 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.203 -0.175 17673 2766 1 8 . 1 1 24 24 PRO C C 104 175.500 175.500 175.892 -0.392 17673 2767 1 8 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.883 0.977 17673 2768 1 8 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.558 0.042 17673 2769 1 8 . 1 1 25 25 ALA N N 105 124.530 124.530 121.957 2.573 17673 2770 1 8 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.898 0.900 17673 2771 1 8 . 1 1 25 25 ALA C C 105 174.470 174.470 174.483 -0.013 17673 2772 1 8 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.762 0.118 17673 2773 1 8 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.159 1.241 17673 2774 1 8 . 1 1 25 25 ALA H H 105 9.121 9.121 8.754 0.367 17673 2775 1 8 . 1 1 26 26 LYS N N 106 117.940 117.940 120.587 -2.647 17673 2776 1 8 . 1 1 26 26 LYS HA H 106 5.217 5.217 5.128 0.089 17673 2777 1 8 . 1 1 26 26 LYS C C 106 176.420 176.420 176.289 0.131 17673 2778 1 8 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.053 -0.053 17673 2779 1 8 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.405 0.675 17673 2780 1 8 . 1 1 26 26 LYS H H 106 8.064 8.064 8.431 -0.367 17673 2781 1 8 . 1 1 27 27 VAL N N 107 123.950 123.950 127.389 -3.439 17673 2782 1 8 . 1 1 27 27 VAL HA H 107 3.956 3.956 3.962 -0.006 17673 2783 1 8 . 1 1 27 27 VAL C C 107 177.040 177.040 176.656 0.384 17673 2784 1 8 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.886 0.174 17673 2785 1 8 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.964 -0.034 17673 2786 1 8 . 1 1 27 27 VAL H H 107 8.264 8.264 8.903 -0.639 17673 2787 1 8 . 1 1 28 28 THR N N 108 121.600 121.600 117.632 3.968 17673 2788 1 8 . 1 1 28 28 THR HA H 108 4.680 4.680 4.522 0.158 17673 2789 1 8 . 1 1 28 28 THR C C 108 175.270 175.270 174.590 0.680 17673 2790 1 8 . 1 1 28 28 THR CA C 108 62.180 62.180 61.333 0.847 17673 2791 1 8 . 1 1 28 28 THR CB C 108 68.940 68.940 70.368 -1.429 17673 2792 1 8 . 1 1 28 28 THR H H 108 9.633 9.633 8.995 0.638 17673 2793 1 8 . 1 1 29 29 ALA N N 109 123.390 123.390 124.310 -0.920 17673 2794 1 8 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.600 -0.161 17673 2795 1 8 . 1 1 29 29 ALA C C 109 174.910 174.910 174.943 -0.033 17673 2796 1 8 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.751 1.659 17673 2797 1 8 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.634 0.581 17673 2798 1 8 . 1 1 29 29 ALA H H 109 8.058 8.058 7.889 0.169 17673 2799 1 8 . 1 1 30 30 VAL N N 110 123.310 123.310 118.925 4.385 17673 2800 1 8 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.029 0.071 17673 2801 1 8 . 1 1 30 30 VAL C C 110 175.510 175.510 174.366 1.144 17673 2802 1 8 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.953 1.727 17673 2803 1 8 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.033 -2.303 17673 2804 1 8 . 1 1 30 30 VAL H H 110 8.541 8.541 8.224 0.317 17673 2805 1 8 . 1 1 31 31 ASN N N 111 123.230 123.230 124.481 -1.251 17673 2806 1 8 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.945 -0.008 17673 2807 1 8 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.937 1.158 17673 2808 1 8 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.468 -0.918 17673 2809 1 8 . 1 1 31 31 ASN H H 111 7.957 7.957 8.685 -0.728 17673 2810 1 8 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.928 0.256 17673 2811 1 8 . 1 1 32 32 LYS C C 112 176.120 176.120 177.081 -0.961 17673 2812 1 8 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.229 0.081 17673 2813 1 8 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.267 -0.357 17673 2814 1 8 . 1 1 33 33 ASP N N 113 117.410 117.410 116.673 0.737 17673 2815 1 8 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.454 0.078 17673 2816 1 8 . 1 1 33 33 ASP C C 113 177.040 177.040 177.145 -0.105 17673 2817 1 8 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.032 -2.145 17673 2818 1 8 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.124 -1.134 17673 2819 1 8 . 1 1 33 33 ASP H H 113 7.867 7.867 8.090 -0.223 17673 2820 1 8 . 1 1 34 34 GLY N N 114 107.300 107.300 105.931 1.369 17673 2821 1 8 . 1 1 34 34 GLY C C 114 174.640 174.640 173.480 1.160 17673 2822 1 8 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.877 0.913 17673 2823 1 8 . 1 1 34 34 GLY H H 114 7.944 7.944 8.088 -0.144 17673 2824 1 8 . 1 1 35 35 THR N N 115 108.940 108.940 112.136 -3.196 17673 2825 1 8 . 1 1 35 35 THR HA H 115 4.824 4.824 5.395 -0.571 17673 2826 1 8 . 1 1 35 35 THR C C 115 173.650 173.650 172.199 1.451 17673 2827 1 8 . 1 1 35 35 THR CA C 115 60.640 60.640 60.022 0.618 17673 2828 1 8 . 1 1 35 35 THR CB C 115 72.740 72.740 72.326 0.414 17673 2829 1 8 . 1 1 35 35 THR H H 115 7.381 7.381 7.855 -0.474 17673 2830 1 8 . 1 1 36 36 TYR N N 116 116.170 116.170 117.644 -1.474 17673 2831 1 8 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.910 0.265 17673 2832 1 8 . 1 1 36 36 TYR C C 116 175.890 175.890 174.291 1.599 17673 2833 1 8 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.713 -0.703 17673 2834 1 8 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.659 -1.489 17673 2835 1 8 . 1 1 36 36 TYR H H 116 9.058 9.058 9.335 -0.277 17673 2836 1 8 . 1 1 37 37 THR N N 117 120.780 120.780 118.256 2.524 17673 2837 1 8 . 1 1 37 37 THR HA H 117 5.116 5.116 5.385 -0.269 17673 2838 1 8 . 1 1 37 37 THR C C 117 173.990 173.990 173.491 0.499 17673 2839 1 8 . 1 1 37 37 THR CA C 117 63.060 63.060 61.459 1.601 17673 2840 1 8 . 1 1 37 37 THR CB C 117 69.255 69.255 70.869 -1.614 17673 2841 1 8 . 1 1 37 37 THR H H 117 9.035 9.035 8.963 0.072 17673 2842 1 8 . 1 1 38 38 VAL N N 118 120.000 120.000 118.312 1.688 17673 2843 1 8 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.100 0.149 17673 2844 1 8 . 1 1 38 38 VAL C C 118 172.390 172.390 173.116 -0.726 17673 2845 1 8 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.237 -1.497 17673 2846 1 8 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.691 -0.761 17673 2847 1 8 . 1 1 38 38 VAL H H 118 9.183 9.183 9.010 0.173 17673 2848 1 8 . 1 1 39 39 LYS N N 119 121.000 121.000 121.645 -0.645 17673 2849 1 8 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.245 -0.183 17673 2850 1 8 . 1 1 39 39 LYS C C 119 178.050 178.050 174.923 3.127 17673 2851 1 8 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.180 0.030 17673 2852 1 8 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.258 -1.338 17673 2853 1 8 . 1 1 39 39 LYS H H 119 8.802 8.802 8.794 0.008 17673 2854 1 8 . 1 1 40 40 PHE N N 120 127.480 127.480 124.634 2.846 17673 2855 1 8 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.397 0.349 17673 2856 1 8 . 1 1 40 40 PHE C C 120 178.110 178.110 176.631 1.479 17673 2857 1 8 . 1 1 40 40 PHE CA C 120 59.610 59.610 56.791 2.819 17673 2858 1 8 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.610 1.430 17673 2859 1 8 . 1 1 40 40 PHE H H 120 9.634 9.634 9.265 0.369 17673 2860 1 8 . 1 1 41 41 TYR N N 121 119.600 119.600 122.393 -2.793 17673 2861 1 8 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.219 0.185 17673 2862 1 8 . 1 1 41 41 TYR C C 121 174.890 174.890 176.527 -1.637 17673 2863 1 8 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.408 -0.496 17673 2864 1 8 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.849 -0.409 17673 2865 1 8 . 1 1 41 41 TYR H H 121 8.679 8.679 8.190 0.489 17673 2866 1 8 . 1 1 42 42 ASP N N 122 117.780 117.780 118.072 -0.292 17673 2867 1 8 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.554 -0.241 17673 2868 1 8 . 1 1 42 42 ASP C C 122 176.810 176.810 177.123 -0.313 17673 2869 1 8 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.616 -1.946 17673 2870 1 8 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.486 -2.776 17673 2871 1 8 . 1 1 42 42 ASP H H 122 7.128 7.128 7.878 -0.750 17673 2872 1 8 . 1 1 43 43 GLY N N 123 108.200 108.200 107.172 1.028 17673 2873 1 8 . 1 1 43 43 GLY C C 123 173.670 173.670 173.753 -0.083 17673 2874 1 8 . 1 1 43 43 GLY CA C 123 45.250 45.250 45.051 0.199 17673 2875 1 8 . 1 1 43 43 GLY H H 123 8.242 8.242 7.942 0.300 17673 2876 1 8 . 1 1 44 44 VAL N N 124 121.320 121.320 119.777 1.543 17673 2877 1 8 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.542 -0.699 17673 2878 1 8 . 1 1 44 44 VAL C C 124 174.610 174.610 174.583 0.027 17673 2879 1 8 . 1 1 44 44 VAL CA C 124 63.970 63.970 61.335 2.635 17673 2880 1 8 . 1 1 44 44 VAL CB C 124 32.240 32.240 35.861 -3.621 17673 2881 1 8 . 1 1 44 44 VAL H H 124 6.877 6.877 7.774 -0.897 17673 2882 1 8 . 1 1 45 45 VAL N N 125 129.030 129.030 125.576 3.454 17673 2883 1 8 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.215 0.054 17673 2884 1 8 . 1 1 45 45 VAL C C 125 176.640 176.640 175.040 1.600 17673 2885 1 8 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.955 0.125 17673 2886 1 8 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.127 -1.708 17673 2887 1 8 . 1 1 45 45 VAL H H 125 8.529 8.529 8.509 0.020 17673 2888 1 8 . 1 1 46 46 GLN N N 126 125.880 125.880 125.138 0.742 17673 2889 1 8 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.872 -0.035 17673 2890 1 8 . 1 1 46 46 GLN C C 126 173.960 173.960 174.374 -0.414 17673 2891 1 8 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.417 0.223 17673 2892 1 8 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.620 2.060 17673 2893 1 8 . 1 1 46 46 GLN H H 126 8.989 8.989 9.124 -0.135 17673 2894 1 8 . 1 1 47 47 THR N N 127 121.970 121.970 119.193 2.777 17673 2895 1 8 . 1 1 47 47 THR HA H 127 5.347 5.347 5.409 -0.062 17673 2896 1 8 . 1 1 47 47 THR C C 127 174.500 174.500 174.394 0.106 17673 2897 1 8 . 1 1 47 47 THR CA C 127 62.730 62.730 62.002 0.728 17673 2898 1 8 . 1 1 47 47 THR CB C 127 69.540 69.540 69.679 -0.139 17673 2899 1 8 . 1 1 47 47 THR H H 127 8.912 8.912 8.586 0.326 17673 2900 1 8 . 1 1 48 48 VAL N N 128 121.810 121.810 119.373 2.437 17673 2901 1 8 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.020 -0.018 17673 2902 1 8 . 1 1 48 48 VAL C C 128 174.840 174.840 174.150 0.690 17673 2903 1 8 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.475 -0.425 17673 2904 1 8 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.270 0.570 17673 2905 1 8 . 1 1 48 48 VAL H H 128 9.513 9.513 9.202 0.311 17673 2906 1 8 . 1 1 49 49 LYS N N 129 121.050 121.050 118.953 2.097 17673 2907 1 8 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.909 -0.473 17673 2908 1 8 . 1 1 49 49 LYS C C 129 178.110 178.110 178.229 -0.119 17673 2909 1 8 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.206 1.904 17673 2910 1 8 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.972 0.197 17673 2911 1 8 . 1 1 49 49 LYS H H 129 9.021 9.021 8.815 0.206 17673 2912 1 8 . 1 1 50 50 HIS N N 130 119.600 119.600 120.979 -1.379 17673 2913 1 8 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.450 0.026 17673 2914 1 8 . 1 1 50 50 HIS C C 130 176.820 176.820 177.607 -0.787 17673 2915 1 8 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.571 0.779 17673 2916 1 8 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.215 0.245 17673 2917 1 8 . 1 1 50 50 HIS H H 130 8.679 8.679 8.748 -0.069 17673 2918 1 8 . 1 1 51 51 ILE N N 131 109.320 109.320 113.320 -4.000 17673 2919 1 8 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.687 0.573 17673 2920 1 8 . 1 1 51 51 ILE C C 131 176.350 176.350 175.797 0.553 17673 2921 1 8 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.833 -0.123 17673 2922 1 8 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.976 1.084 17673 2923 1 8 . 1 1 51 51 ILE H H 131 6.790 6.790 8.248 -1.458 17673 2924 1 8 . 1 1 52 52 HIS N N 132 121.710 121.710 115.870 5.840 17673 2925 1 8 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.768 0.204 17673 2926 1 8 . 1 1 52 52 HIS C C 132 172.680 172.680 174.228 -1.548 17673 2927 1 8 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.042 -0.932 17673 2928 1 8 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.419 0.411 17673 2929 1 8 . 1 1 52 52 HIS H H 132 8.064 8.064 7.630 0.434 17673 2930 1 8 . 1 1 53 53 VAL N N 133 118.360 118.360 117.114 1.246 17673 2931 1 8 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.134 -0.130 17673 2932 1 8 . 1 1 53 53 VAL C C 133 173.990 173.990 174.171 -0.181 17673 2933 1 8 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.392 0.908 17673 2934 1 8 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.643 -0.593 17673 2935 1 8 . 1 1 53 53 VAL H H 133 7.614 7.614 7.487 0.127 17673 2936 1 8 . 1 1 54 54 LYS N N 134 123.720 123.720 120.696 3.024 17673 2937 1 8 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.720 0.100 17673 2938 1 8 . 1 1 54 54 LYS C C 134 173.820 173.820 174.465 -0.645 17673 2939 1 8 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.535 0.685 17673 2940 1 8 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.669 0.961 17673 2941 1 8 . 1 1 54 54 LYS H H 134 9.207 9.207 8.963 0.244 17673 2942 1 8 . 1 1 55 55 ALA N N 135 121.610 121.610 120.996 0.614 17673 2943 1 8 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.869 0.567 17673 2944 1 8 . 1 1 55 55 ALA C C 135 177.670 177.670 177.455 0.215 17673 2945 1 8 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.263 -0.063 17673 2946 1 8 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.675 0.435 17673 2947 1 8 . 1 1 55 55 ALA H H 135 8.560 8.560 8.335 0.225 17673 2948 1 8 . 1 1 56 56 PHE N N 136 120.080 120.080 119.721 0.359 17673 2949 1 8 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.082 0.181 17673 2950 1 8 . 1 1 56 56 PHE C C 136 175.380 175.380 175.579 -0.199 17673 2951 1 8 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.798 -0.938 17673 2952 1 8 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.394 0.756 17673 2953 1 8 . 1 1 56 56 PHE H H 136 8.680 8.680 8.211 0.469 17673 2954 1 8 . 1 1 57 57 SER N N 137 117.820 117.820 113.605 4.215 17673 2955 1 8 . 1 1 57 57 SER HA H 137 4.367 4.367 4.238 0.129 17673 2956 1 8 . 1 1 57 57 SER CA C 137 57.350 57.350 58.612 -1.262 17673 2957 1 8 . 1 1 57 57 SER CB C 137 64.220 64.220 62.703 1.517 17673 2958 1 8 . 1 1 57 57 SER H H 137 7.298 7.298 7.358 -0.060 17673 2959 1 8 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.658 0.520 17673 2960 1 8 . 1 1 58 58 LYS C C 138 176.260 176.260 177.472 -1.212 17673 2961 1 8 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.703 -1.963 17673 2962 1 8 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.147 0.653 17673 2963 1 8 . 1 1 59 59 ASP N N 139 120.500 120.500 118.567 1.933 17673 2964 1 8 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.338 0.187 17673 2965 1 8 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.969 -1.329 17673 2966 1 8 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.172 -0.192 17673 2967 1 8 . 1 1 59 59 ASP H H 139 8.245 8.245 8.434 -0.189 17673 2968 1 8 . 1 1 60 60 GLN N N 140 120.290 120.290 114.922 5.368 17673 2969 1 8 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.433 -0.186 17673 2970 1 8 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.887 1.173 17673 2971 1 8 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.288 -2.898 17673 2972 1 8 . 1 1 60 60 GLN H H 140 8.212 8.212 7.549 0.663 17673 2973 1 8 . 1 1 61 61 ASN N N 141 121.710 121.710 119.036 2.674 17673 2974 1 8 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.685 0.036 17673 2975 1 8 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.591 -0.512 17673 2976 1 8 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.529 -0.619 17673 2977 1 8 . 1 1 61 61 ASN H H 141 8.064 8.064 8.587 -0.523 17673 2978 1 8 . 1 1 62 62 ILE N N 142 120.890 120.890 119.995 0.895 17673 2979 1 8 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.649 -0.477 17673 2980 1 8 . 1 1 62 62 ILE C C 142 176.330 176.330 175.434 0.896 17673 2981 1 8 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.790 0.560 17673 2982 1 8 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.336 0.239 17673 2983 1 8 . 1 1 62 62 ILE H H 142 8.010 8.010 8.784 -0.774 17673 2984 1 8 . 1 1 63 63 VAL N N 143 123.520 123.520 121.296 2.224 17673 2985 1 8 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.381 -0.273 17673 2986 1 8 . 1 1 63 63 VAL C C 143 176.740 176.740 176.432 0.308 17673 2987 1 8 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.446 -0.736 17673 2988 1 8 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.414 -1.844 17673 2989 1 8 . 1 1 63 63 VAL H H 143 8.157 8.157 8.873 -0.716 17673 2990 1 8 . 1 1 64 64 GLY N N 144 112.060 112.060 108.870 3.190 17673 2991 1 8 . 1 1 64 64 GLY C C 144 173.940 173.940 173.632 0.308 17673 2992 1 8 . 1 1 64 64 GLY CA C 144 45.480 45.480 45.721 -0.241 17673 2993 1 8 . 1 1 64 64 GLY H H 144 8.408 8.408 8.535 -0.127 17673 2994 1 8 . 1 1 65 65 ASN N N 145 118.830 118.830 116.662 2.168 17673 2995 1 8 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.785 -0.069 17673 2996 1 8 . 1 1 65 65 ASN C C 145 175.220 175.220 173.589 1.631 17673 2997 1 8 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.441 0.719 17673 2998 1 8 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.429 -2.429 17673 2999 1 8 . 1 1 65 65 ASN H H 145 8.305 8.305 7.422 0.883 17673 3000 1 8 . 1 1 66 66 ALA N N 146 124.400 124.400 123.552 0.848 17673 3001 1 8 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.513 -0.173 17673 3002 1 8 . 1 1 66 66 ALA C C 146 177.870 177.870 177.551 0.319 17673 3003 1 8 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.333 0.687 17673 3004 1 8 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.358 -0.268 17673 3005 1 8 . 1 1 66 66 ALA H H 146 8.341 8.341 8.727 -0.386 17673 3006 1 8 . 1 1 284 284 ALA N N 364 124.540 124.540 124.237 0.303 17673 3007 1 8 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.406 -0.142 17673 3008 1 8 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.863 0.792 17673 3009 1 8 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.875 -1.745 17673 3010 1 8 . 1 1 284 284 ALA H H 364 8.267 8.267 8.468 -0.201 17673 3011 1 8 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.542 0.282 17673 3012 1 8 . 1 1 285 285 HIS H H 365 8.447 8.447 8.003 0.444 17673 3013 1 8 . 1 1 286 286 SER N N 366 117.450 117.450 114.709 2.741 17673 3014 1 8 . 1 1 286 286 SER HA H 366 4.460 4.460 4.234 0.226 17673 3015 1 8 . 1 1 286 286 SER CA C 366 58.330 58.330 59.143 -0.813 17673 3016 1 8 . 1 1 286 286 SER CB C 366 64.030 64.030 62.076 1.954 17673 3017 1 8 . 1 1 286 286 SER H H 366 8.287 8.287 8.761 -0.474 17673 3018 1 8 . 1 1 287 287 SER N N 367 117.450 117.450 115.171 2.279 17673 3019 1 8 . 1 1 287 287 SER HA H 367 4.460 4.460 4.425 0.035 17673 3020 1 8 . 1 1 287 287 SER CA C 367 58.330 58.330 57.740 0.590 17673 3021 1 8 . 1 1 287 287 SER CB C 367 64.030 64.030 64.056 -0.026 17673 3022 1 8 . 1 1 287 287 SER H H 367 8.287 8.287 7.967 0.320 17673 3023 1 8 . 1 1 292 292 LYS N N 372 123.390 123.390 123.115 0.275 17673 3024 1 8 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.187 0.161 17673 3025 1 8 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.190 -0.550 17673 3026 1 8 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.411 0.739 17673 3027 1 8 . 1 1 292 292 LYS H H 372 8.416 8.416 8.512 -0.096 17673 3028 1 8 . 1 1 293 293 LYS N N 373 123.390 123.390 119.009 4.381 17673 3029 1 8 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.028 0.320 17673 3030 1 8 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.436 -0.150 17673 3031 1 8 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.688 0.463 17673 3032 1 8 . 1 1 293 293 LYS H H 373 8.416 8.416 7.916 0.500 17673 3033 1 9 . 1 1 5 5 SER HA H 85 4.436 4.436 4.315 0.121 17673 3034 1 9 . 1 1 5 5 SER C C 85 173.840 173.840 172.581 1.259 17673 3035 1 9 . 1 1 5 5 SER CA C 85 58.100 58.100 57.853 0.247 17673 3036 1 9 . 1 1 5 5 SER CB C 85 64.010 64.010 64.029 -0.019 17673 3037 1 9 . 1 1 6 6 GLU N N 86 122.440 122.440 120.041 2.399 17673 3038 1 9 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.174 -0.123 17673 3039 1 9 . 1 1 6 6 GLU C C 86 175.710 175.710 174.581 1.129 17673 3040 1 9 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.248 1.871 17673 3041 1 9 . 1 1 6 6 GLU CB C 86 30.746 30.746 32.796 -2.050 17673 3042 1 9 . 1 1 6 6 GLU H H 86 8.107 8.107 7.562 0.545 17673 3043 1 9 . 1 1 7 7 PHE N N 87 118.700 118.700 121.615 -2.915 17673 3044 1 9 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.893 -0.020 17673 3045 1 9 . 1 1 7 7 PHE C C 87 174.600 174.600 174.931 -0.331 17673 3046 1 9 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.117 0.008 17673 3047 1 9 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.735 0.034 17673 3048 1 9 . 1 1 7 7 PHE H H 87 7.598 7.598 8.539 -0.941 17673 3049 1 9 . 1 1 8 8 GLN N N 88 118.630 118.630 119.921 -1.291 17673 3050 1 9 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.646 0.032 17673 3051 1 9 . 1 1 8 8 GLN C C 88 175.670 175.670 174.714 0.956 17673 3052 1 9 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.554 -0.099 17673 3053 1 9 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.361 0.539 17673 3054 1 9 . 1 1 8 8 GLN H H 88 8.906 8.906 8.480 0.426 17673 3055 1 9 . 1 1 9 9 ILE N N 89 118.880 118.880 121.029 -2.149 17673 3056 1 9 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.608 -0.212 17673 3057 1 9 . 1 1 9 9 ILE C C 89 177.130 177.130 176.277 0.853 17673 3058 1 9 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.865 -0.173 17673 3059 1 9 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.413 0.017 17673 3060 1 9 . 1 1 9 9 ILE H H 89 8.384 8.384 8.369 0.015 17673 3061 1 9 . 1 1 10 10 ASN N N 90 119.090 119.090 119.049 0.041 17673 3062 1 9 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.392 -0.148 17673 3063 1 9 . 1 1 10 10 ASN C C 90 173.870 173.870 173.958 -0.088 17673 3064 1 9 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.757 0.933 17673 3065 1 9 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.155 0.245 17673 3066 1 9 . 1 1 10 10 ASN H H 90 9.136 9.136 8.932 0.204 17673 3067 1 9 . 1 1 11 11 GLU N N 91 122.200 122.200 118.210 3.990 17673 3068 1 9 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.681 -0.477 17673 3069 1 9 . 1 1 11 11 GLU C C 91 176.040 176.040 174.950 1.090 17673 3070 1 9 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.306 3.394 17673 3071 1 9 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.807 -1.427 17673 3072 1 9 . 1 1 11 11 GLU H H 91 8.157 8.157 7.732 0.425 17673 3073 1 9 . 1 1 12 12 GLN N N 92 124.360 124.360 121.267 3.093 17673 3074 1 9 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.041 -0.207 17673 3075 1 9 . 1 1 12 12 GLN C C 92 174.920 174.920 175.983 -1.063 17673 3076 1 9 . 1 1 12 12 GLN CA C 92 55.726 55.726 56.423 -0.697 17673 3077 1 9 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.447 -0.455 17673 3078 1 9 . 1 1 12 12 GLN H H 92 8.605 8.605 8.767 -0.162 17673 3079 1 9 . 1 1 13 13 VAL N N 93 118.540 118.540 115.230 3.310 17673 3080 1 9 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.282 0.421 17673 3081 1 9 . 1 1 13 13 VAL C C 93 174.780 174.780 173.690 1.090 17673 3082 1 9 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.601 -0.068 17673 3083 1 9 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.018 0.969 17673 3084 1 9 . 1 1 13 13 VAL H H 93 8.997 8.997 8.907 0.090 17673 3085 1 9 . 1 1 14 14 LEU N N 94 118.610 118.610 120.243 -1.633 17673 3086 1 9 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.094 -0.092 17673 3087 1 9 . 1 1 14 14 LEU C C 94 175.290 175.290 175.282 0.008 17673 3088 1 9 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.418 0.440 17673 3089 1 9 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.698 0.960 17673 3090 1 9 . 1 1 14 14 LEU H H 94 8.618 8.618 8.478 0.140 17673 3091 1 9 . 1 1 15 15 ALA N N 95 122.870 122.870 125.825 -2.955 17673 3092 1 9 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.555 0.310 17673 3093 1 9 . 1 1 15 15 ALA C C 95 176.220 176.220 176.641 -0.421 17673 3094 1 9 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.426 -0.476 17673 3095 1 9 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.822 0.318 17673 3096 1 9 . 1 1 15 15 ALA H H 95 9.335 9.335 9.377 -0.042 17673 3097 1 9 . 1 1 16 16 SER N N 96 117.200 117.200 120.706 -3.506 17673 3098 1 9 . 1 1 16 16 SER HA H 96 4.520 4.520 4.452 0.068 17673 3099 1 9 . 1 1 16 16 SER C C 96 174.250 174.250 174.075 0.175 17673 3100 1 9 . 1 1 16 16 SER CA C 96 57.245 57.245 59.069 -1.824 17673 3101 1 9 . 1 1 16 16 SER CB C 96 63.974 63.974 63.031 0.943 17673 3102 1 9 . 1 1 16 16 SER H H 96 8.513 8.513 8.790 -0.277 17673 3103 1 9 . 1 1 17 17 TRP N N 97 125.340 125.340 130.148 -4.808 17673 3104 1 9 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.346 0.891 17673 3105 1 9 . 1 1 17 17 TRP C C 97 176.630 176.630 176.986 -0.356 17673 3106 1 9 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.956 -2.066 17673 3107 1 9 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.080 0.940 17673 3108 1 9 . 1 1 17 17 TRP H H 97 8.621 8.621 8.730 -0.109 17673 3109 1 9 . 1 1 18 18 SER N N 98 118.120 118.120 118.457 -0.337 17673 3110 1 9 . 1 1 18 18 SER HA H 98 3.912 3.912 3.945 -0.033 17673 3111 1 9 . 1 1 18 18 SER C C 98 173.650 173.650 175.189 -1.539 17673 3112 1 9 . 1 1 18 18 SER CA C 98 59.400 59.400 60.628 -1.228 17673 3113 1 9 . 1 1 18 18 SER CB C 98 62.330 62.330 62.874 -0.544 17673 3114 1 9 . 1 1 18 18 SER H H 98 6.530 6.530 8.130 -1.600 17673 3115 1 9 . 1 1 19 19 ASP N N 99 119.980 119.980 118.607 1.373 17673 3116 1 9 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.208 0.232 17673 3117 1 9 . 1 1 19 19 ASP C C 99 176.200 176.200 176.667 -0.467 17673 3118 1 9 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.975 -2.555 17673 3119 1 9 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.366 -1.176 17673 3120 1 9 . 1 1 19 19 ASP H H 99 7.834 7.834 7.555 0.279 17673 3121 1 9 . 1 1 20 20 SER N N 100 110.670 110.670 109.165 1.505 17673 3122 1 9 . 1 1 20 20 SER HA H 100 3.923 3.923 4.433 -0.510 17673 3123 1 9 . 1 1 20 20 SER C C 100 173.090 173.090 173.621 -0.531 17673 3124 1 9 . 1 1 20 20 SER CA C 100 60.410 60.410 59.009 1.401 17673 3125 1 9 . 1 1 20 20 SER CB C 100 62.350 62.350 64.392 -2.042 17673 3126 1 9 . 1 1 20 20 SER H H 100 8.127 8.127 8.330 -0.203 17673 3127 1 9 . 1 1 21 21 ARG N N 101 120.850 120.850 120.476 0.374 17673 3128 1 9 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.377 0.094 17673 3129 1 9 . 1 1 21 21 ARG C C 101 174.190 174.190 174.570 -0.380 17673 3130 1 9 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.673 0.337 17673 3131 1 9 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.860 0.140 17673 3132 1 9 . 1 1 21 21 ARG H H 101 8.097 8.097 8.024 0.073 17673 3133 1 9 . 1 1 22 22 PHE N N 102 118.370 118.370 119.312 -0.942 17673 3134 1 9 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.619 0.214 17673 3135 1 9 . 1 1 22 22 PHE C C 102 175.840 175.840 176.152 -0.312 17673 3136 1 9 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.208 -1.468 17673 3137 1 9 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.732 2.288 17673 3138 1 9 . 1 1 22 22 PHE H H 102 8.400 8.400 7.937 0.463 17673 3139 1 9 . 1 1 23 23 TYR N N 103 119.450 119.450 121.402 -1.952 17673 3140 1 9 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.310 -0.170 17673 3141 1 9 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.442 0.268 17673 3142 1 9 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.206 -0.546 17673 3143 1 9 . 1 1 23 23 TYR H H 103 9.263 9.263 9.059 0.204 17673 3144 1 9 . 1 1 24 24 PRO HA H 104 5.028 5.028 4.868 0.160 17673 3145 1 9 . 1 1 24 24 PRO C C 104 175.500 175.500 175.758 -0.258 17673 3146 1 9 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.672 1.188 17673 3147 1 9 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.274 0.326 17673 3148 1 9 . 1 1 25 25 ALA N N 105 124.530 124.530 121.945 2.585 17673 3149 1 9 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.951 0.847 17673 3150 1 9 . 1 1 25 25 ALA C C 105 174.470 174.470 174.511 -0.041 17673 3151 1 9 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.703 0.178 17673 3152 1 9 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.455 0.945 17673 3153 1 9 . 1 1 25 25 ALA H H 105 9.121 9.121 8.563 0.558 17673 3154 1 9 . 1 1 26 26 LYS N N 106 117.940 117.940 120.502 -2.562 17673 3155 1 9 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.906 0.311 17673 3156 1 9 . 1 1 26 26 LYS C C 106 176.420 176.420 176.064 0.356 17673 3157 1 9 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.421 -0.421 17673 3158 1 9 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.000 1.080 17673 3159 1 9 . 1 1 26 26 LYS H H 106 8.064 8.064 8.423 -0.359 17673 3160 1 9 . 1 1 27 27 VAL N N 107 123.950 123.950 127.315 -3.365 17673 3161 1 9 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.053 -0.097 17673 3162 1 9 . 1 1 27 27 VAL C C 107 177.040 177.040 176.954 0.086 17673 3163 1 9 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.798 0.261 17673 3164 1 9 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.246 0.684 17673 3165 1 9 . 1 1 27 27 VAL H H 107 8.264 8.264 8.852 -0.588 17673 3166 1 9 . 1 1 28 28 THR N N 108 121.600 121.600 117.424 4.176 17673 3167 1 9 . 1 1 28 28 THR HA H 108 4.680 4.680 4.514 0.166 17673 3168 1 9 . 1 1 28 28 THR C C 108 175.270 175.270 174.478 0.792 17673 3169 1 9 . 1 1 28 28 THR CA C 108 62.180 62.180 61.398 0.782 17673 3170 1 9 . 1 1 28 28 THR CB C 108 68.940 68.940 70.421 -1.481 17673 3171 1 9 . 1 1 28 28 THR H H 108 9.633 9.633 9.003 0.630 17673 3172 1 9 . 1 1 29 29 ALA N N 109 123.390 123.390 124.162 -0.772 17673 3173 1 9 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.630 -0.191 17673 3174 1 9 . 1 1 29 29 ALA C C 109 174.910 174.910 174.887 0.023 17673 3175 1 9 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.569 1.841 17673 3176 1 9 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.795 0.420 17673 3177 1 9 . 1 1 29 29 ALA H H 109 8.058 8.058 7.849 0.209 17673 3178 1 9 . 1 1 30 30 VAL N N 110 123.310 123.310 118.644 4.666 17673 3179 1 9 . 1 1 30 30 VAL HA H 110 4.100 4.100 3.918 0.182 17673 3180 1 9 . 1 1 30 30 VAL C C 110 175.510 175.510 174.308 1.202 17673 3181 1 9 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.956 1.724 17673 3182 1 9 . 1 1 30 30 VAL CB C 110 32.730 32.730 34.961 -2.231 17673 3183 1 9 . 1 1 30 30 VAL H H 110 8.541 8.541 8.216 0.325 17673 3184 1 9 . 1 1 31 31 ASN N N 111 123.230 123.230 123.716 -0.486 17673 3185 1 9 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.987 -0.050 17673 3186 1 9 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.167 0.928 17673 3187 1 9 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.136 -0.586 17673 3188 1 9 . 1 1 31 31 ASN H H 111 7.957 7.957 8.533 -0.576 17673 3189 1 9 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.898 0.286 17673 3190 1 9 . 1 1 32 32 LYS C C 112 176.120 176.120 177.011 -0.891 17673 3191 1 9 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.826 -0.516 17673 3192 1 9 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.391 -0.481 17673 3193 1 9 . 1 1 33 33 ASP N N 113 117.410 117.410 116.776 0.634 17673 3194 1 9 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.423 0.109 17673 3195 1 9 . 1 1 33 33 ASP C C 113 177.040 177.040 177.071 -0.031 17673 3196 1 9 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.214 -2.327 17673 3197 1 9 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.063 -1.073 17673 3198 1 9 . 1 1 33 33 ASP H H 113 7.867 7.867 8.086 -0.219 17673 3199 1 9 . 1 1 34 34 GLY N N 114 107.300 107.300 105.524 1.776 17673 3200 1 9 . 1 1 34 34 GLY C C 114 174.640 174.640 173.368 1.272 17673 3201 1 9 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.907 0.883 17673 3202 1 9 . 1 1 34 34 GLY H H 114 7.944 7.944 8.075 -0.131 17673 3203 1 9 . 1 1 35 35 THR N N 115 108.940 108.940 111.983 -3.043 17673 3204 1 9 . 1 1 35 35 THR HA H 115 4.824 4.824 5.413 -0.589 17673 3205 1 9 . 1 1 35 35 THR C C 115 173.650 173.650 172.258 1.392 17673 3206 1 9 . 1 1 35 35 THR CA C 115 60.640 60.640 59.774 0.866 17673 3207 1 9 . 1 1 35 35 THR CB C 115 72.740 72.740 72.239 0.501 17673 3208 1 9 . 1 1 35 35 THR H H 115 7.381 7.381 7.884 -0.503 17673 3209 1 9 . 1 1 36 36 TYR N N 116 116.170 116.170 117.882 -1.712 17673 3210 1 9 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.931 0.244 17673 3211 1 9 . 1 1 36 36 TYR C C 116 175.890 175.890 174.176 1.714 17673 3212 1 9 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.629 -0.619 17673 3213 1 9 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.976 -1.806 17673 3214 1 9 . 1 1 36 36 TYR H H 116 9.058 9.058 9.317 -0.259 17673 3215 1 9 . 1 1 37 37 THR N N 117 120.780 120.780 118.509 2.271 17673 3216 1 9 . 1 1 37 37 THR HA H 117 5.116 5.116 5.426 -0.310 17673 3217 1 9 . 1 1 37 37 THR C C 117 173.990 173.990 173.218 0.772 17673 3218 1 9 . 1 1 37 37 THR CA C 117 63.060 63.060 61.056 2.004 17673 3219 1 9 . 1 1 37 37 THR CB C 117 69.255 69.255 71.040 -1.785 17673 3220 1 9 . 1 1 37 37 THR H H 117 9.035 9.035 8.943 0.092 17673 3221 1 9 . 1 1 38 38 VAL N N 118 120.000 120.000 120.067 -0.067 17673 3222 1 9 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.102 0.147 17673 3223 1 9 . 1 1 38 38 VAL C C 118 172.390 172.390 173.027 -0.637 17673 3224 1 9 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.554 -1.814 17673 3225 1 9 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.717 -0.787 17673 3226 1 9 . 1 1 38 38 VAL H H 118 9.183 9.183 8.964 0.219 17673 3227 1 9 . 1 1 39 39 LYS N N 119 121.000 121.000 121.365 -0.365 17673 3228 1 9 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.082 -0.020 17673 3229 1 9 . 1 1 39 39 LYS C C 119 178.050 178.050 175.010 3.040 17673 3230 1 9 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.266 -0.056 17673 3231 1 9 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.905 -0.985 17673 3232 1 9 . 1 1 39 39 LYS H H 119 8.802 8.802 8.703 0.099 17673 3233 1 9 . 1 1 40 40 PHE N N 120 127.480 127.480 125.255 2.225 17673 3234 1 9 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.295 0.451 17673 3235 1 9 . 1 1 40 40 PHE C C 120 178.110 178.110 176.913 1.197 17673 3236 1 9 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.240 2.370 17673 3237 1 9 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.017 2.023 17673 3238 1 9 . 1 1 40 40 PHE H H 120 9.634 9.634 9.008 0.626 17673 3239 1 9 . 1 1 41 41 TYR N N 121 119.600 119.600 122.389 -2.789 17673 3240 1 9 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.218 0.186 17673 3241 1 9 . 1 1 41 41 TYR C C 121 174.890 174.890 176.882 -1.992 17673 3242 1 9 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.690 -0.777 17673 3243 1 9 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.947 -0.507 17673 3244 1 9 . 1 1 41 41 TYR H H 121 8.679 8.679 8.176 0.503 17673 3245 1 9 . 1 1 42 42 ASP N N 122 117.780 117.780 117.600 0.180 17673 3246 1 9 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.503 -0.190 17673 3247 1 9 . 1 1 42 42 ASP C C 122 176.810 176.810 177.430 -0.620 17673 3248 1 9 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.970 -2.300 17673 3249 1 9 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.261 -2.551 17673 3250 1 9 . 1 1 42 42 ASP H H 122 7.128 7.128 7.960 -0.832 17673 3251 1 9 . 1 1 43 43 GLY N N 123 108.200 108.200 106.215 1.985 17673 3252 1 9 . 1 1 43 43 GLY C C 123 173.670 173.670 174.240 -0.570 17673 3253 1 9 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.669 0.581 17673 3254 1 9 . 1 1 43 43 GLY H H 123 8.242 8.242 8.095 0.147 17673 3255 1 9 . 1 1 44 44 VAL N N 124 121.320 121.320 121.184 0.136 17673 3256 1 9 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.089 -0.246 17673 3257 1 9 . 1 1 44 44 VAL C C 124 174.610 174.610 175.241 -0.631 17673 3258 1 9 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.083 0.887 17673 3259 1 9 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.830 -0.590 17673 3260 1 9 . 1 1 44 44 VAL H H 124 6.877 6.877 7.837 -0.960 17673 3261 1 9 . 1 1 45 45 VAL N N 125 129.030 129.030 124.540 4.490 17673 3262 1 9 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.112 0.158 17673 3263 1 9 . 1 1 45 45 VAL C C 125 176.640 176.640 175.247 1.393 17673 3264 1 9 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.689 0.391 17673 3265 1 9 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.542 -1.122 17673 3266 1 9 . 1 1 45 45 VAL H H 125 8.529 8.529 8.379 0.150 17673 3267 1 9 . 1 1 46 46 GLN N N 126 125.880 125.880 125.191 0.689 17673 3268 1 9 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.851 -0.014 17673 3269 1 9 . 1 1 46 46 GLN C C 126 173.960 173.960 174.281 -0.321 17673 3270 1 9 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.431 0.209 17673 3271 1 9 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.384 2.296 17673 3272 1 9 . 1 1 46 46 GLN H H 126 8.989 8.989 9.009 -0.020 17673 3273 1 9 . 1 1 47 47 THR N N 127 121.970 121.970 119.121 2.849 17673 3274 1 9 . 1 1 47 47 THR HA H 127 5.347 5.347 5.436 -0.089 17673 3275 1 9 . 1 1 47 47 THR C C 127 174.500 174.500 174.200 0.300 17673 3276 1 9 . 1 1 47 47 THR CA C 127 62.730 62.730 61.704 1.026 17673 3277 1 9 . 1 1 47 47 THR CB C 127 69.540 69.540 69.785 -0.245 17673 3278 1 9 . 1 1 47 47 THR H H 127 8.912 8.912 8.491 0.421 17673 3279 1 9 . 1 1 48 48 VAL N N 128 121.810 121.810 121.766 0.044 17673 3280 1 9 . 1 1 48 48 VAL HA H 128 5.002 5.002 4.986 0.016 17673 3281 1 9 . 1 1 48 48 VAL C C 128 174.840 174.840 174.051 0.789 17673 3282 1 9 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.748 -0.698 17673 3283 1 9 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.242 0.598 17673 3284 1 9 . 1 1 48 48 VAL H H 128 9.513 9.513 9.192 0.321 17673 3285 1 9 . 1 1 49 49 LYS N N 129 121.050 121.050 118.759 2.291 17673 3286 1 9 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.985 -0.549 17673 3287 1 9 . 1 1 49 49 LYS C C 129 178.110 178.110 178.232 -0.122 17673 3288 1 9 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.930 2.180 17673 3289 1 9 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.036 0.134 17673 3290 1 9 . 1 1 49 49 LYS H H 129 9.021 9.021 8.577 0.444 17673 3291 1 9 . 1 1 50 50 HIS N N 130 119.600 119.600 120.738 -1.138 17673 3292 1 9 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.458 0.018 17673 3293 1 9 . 1 1 50 50 HIS C C 130 176.820 176.820 177.674 -0.854 17673 3294 1 9 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.296 1.054 17673 3295 1 9 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.224 0.236 17673 3296 1 9 . 1 1 50 50 HIS H H 130 8.679 8.679 8.628 0.051 17673 3297 1 9 . 1 1 51 51 ILE N N 131 109.320 109.320 113.441 -4.121 17673 3298 1 9 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.670 0.590 17673 3299 1 9 . 1 1 51 51 ILE C C 131 176.350 176.350 175.879 0.471 17673 3300 1 9 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.739 -0.029 17673 3301 1 9 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.807 1.253 17673 3302 1 9 . 1 1 51 51 ILE H H 131 6.790 6.790 8.121 -1.331 17673 3303 1 9 . 1 1 52 52 HIS N N 132 121.710 121.710 115.210 6.500 17673 3304 1 9 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.842 0.130 17673 3305 1 9 . 1 1 52 52 HIS C C 132 172.680 172.680 174.053 -1.373 17673 3306 1 9 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.605 -0.494 17673 3307 1 9 . 1 1 52 52 HIS CB C 132 31.830 31.830 32.231 -0.401 17673 3308 1 9 . 1 1 52 52 HIS H H 132 8.064 8.064 7.755 0.309 17673 3309 1 9 . 1 1 53 53 VAL N N 133 118.360 118.360 117.700 0.660 17673 3310 1 9 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.201 -0.197 17673 3311 1 9 . 1 1 53 53 VAL C C 133 173.990 173.990 173.999 -0.009 17673 3312 1 9 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.697 0.604 17673 3313 1 9 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.944 -0.894 17673 3314 1 9 . 1 1 53 53 VAL H H 133 7.614 7.614 7.473 0.141 17673 3315 1 9 . 1 1 54 54 LYS N N 134 123.720 123.720 120.896 2.824 17673 3316 1 9 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.656 0.164 17673 3317 1 9 . 1 1 54 54 LYS C C 134 173.820 173.820 174.540 -0.720 17673 3318 1 9 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.639 0.581 17673 3319 1 9 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.488 1.142 17673 3320 1 9 . 1 1 54 54 LYS H H 134 9.207 9.207 8.870 0.337 17673 3321 1 9 . 1 1 55 55 ALA N N 135 121.610 121.610 121.130 0.480 17673 3322 1 9 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.930 0.506 17673 3323 1 9 . 1 1 55 55 ALA C C 135 177.670 177.670 177.311 0.359 17673 3324 1 9 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.499 -0.299 17673 3325 1 9 . 1 1 55 55 ALA CB C 135 19.110 19.110 19.186 -0.076 17673 3326 1 9 . 1 1 55 55 ALA H H 135 8.560 8.560 8.441 0.119 17673 3327 1 9 . 1 1 56 56 PHE N N 136 120.080 120.080 119.256 0.824 17673 3328 1 9 . 1 1 56 56 PHE HA H 136 4.263 4.263 3.987 0.276 17673 3329 1 9 . 1 1 56 56 PHE C C 136 175.380 175.380 176.001 -0.621 17673 3330 1 9 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.290 0.570 17673 3331 1 9 . 1 1 56 56 PHE CB C 136 40.150 40.150 38.702 1.448 17673 3332 1 9 . 1 1 56 56 PHE H H 136 8.680 8.680 7.519 1.161 17673 3333 1 9 . 1 1 57 57 SER N N 137 117.820 117.820 113.756 4.064 17673 3334 1 9 . 1 1 57 57 SER HA H 137 4.367 4.367 4.379 -0.012 17673 3335 1 9 . 1 1 57 57 SER CA C 137 57.350 57.350 58.959 -1.609 17673 3336 1 9 . 1 1 57 57 SER CB C 137 64.220 64.220 63.546 0.674 17673 3337 1 9 . 1 1 57 57 SER H H 137 7.298 7.298 7.902 -0.604 17673 3338 1 9 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.884 0.294 17673 3339 1 9 . 1 1 58 58 LYS C C 138 176.260 176.260 177.321 -1.061 17673 3340 1 9 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.829 -2.089 17673 3341 1 9 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.419 0.381 17673 3342 1 9 . 1 1 59 59 ASP N N 139 120.500 120.500 117.133 3.367 17673 3343 1 9 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.552 -0.027 17673 3344 1 9 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.719 -1.079 17673 3345 1 9 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.458 -0.478 17673 3346 1 9 . 1 1 59 59 ASP H H 139 8.245 8.245 8.553 -0.308 17673 3347 1 9 . 1 1 60 60 GLN N N 140 120.290 120.290 116.222 4.068 17673 3348 1 9 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.544 -0.297 17673 3349 1 9 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.143 1.917 17673 3350 1 9 . 1 1 60 60 GLN CB C 140 29.390 29.390 31.539 -2.149 17673 3351 1 9 . 1 1 60 60 GLN H H 140 8.212 8.212 7.886 0.326 17673 3352 1 9 . 1 1 61 61 ASN N N 141 121.710 121.710 118.078 3.632 17673 3353 1 9 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.814 -0.093 17673 3354 1 9 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.147 -0.068 17673 3355 1 9 . 1 1 61 61 ASN CB C 141 38.910 38.910 40.307 -1.397 17673 3356 1 9 . 1 1 61 61 ASN H H 141 8.064 8.064 8.511 -0.447 17673 3357 1 9 . 1 1 62 62 ILE N N 142 120.890 120.890 118.031 2.859 17673 3358 1 9 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.470 -0.298 17673 3359 1 9 . 1 1 62 62 ILE C C 142 176.330 176.330 176.605 -0.275 17673 3360 1 9 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.201 0.149 17673 3361 1 9 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.142 -0.567 17673 3362 1 9 . 1 1 62 62 ILE H H 142 8.010 8.010 8.915 -0.905 17673 3363 1 9 . 1 1 63 63 VAL N N 143 123.520 123.520 116.909 6.611 17673 3364 1 9 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.466 -0.358 17673 3365 1 9 . 1 1 63 63 VAL C C 143 176.740 176.740 177.785 -1.045 17673 3366 1 9 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.420 -0.711 17673 3367 1 9 . 1 1 63 63 VAL CB C 143 32.570 32.570 32.511 0.059 17673 3368 1 9 . 1 1 63 63 VAL H H 143 8.157 8.157 8.872 -0.715 17673 3369 1 9 . 1 1 64 64 GLY N N 144 112.060 112.060 110.054 2.006 17673 3370 1 9 . 1 1 64 64 GLY C C 144 173.940 173.940 174.477 -0.537 17673 3371 1 9 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.398 -0.918 17673 3372 1 9 . 1 1 64 64 GLY H H 144 8.408 8.408 8.691 -0.283 17673 3373 1 9 . 1 1 65 65 ASN N N 145 118.830 118.830 116.289 2.541 17673 3374 1 9 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.707 0.009 17673 3375 1 9 . 1 1 65 65 ASN C C 145 175.220 175.220 173.277 1.943 17673 3376 1 9 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.498 0.662 17673 3377 1 9 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.635 -1.635 17673 3378 1 9 . 1 1 65 65 ASN H H 145 8.305 8.305 7.405 0.900 17673 3379 1 9 . 1 1 66 66 ALA N N 146 124.400 124.400 122.893 1.507 17673 3380 1 9 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.714 -0.374 17673 3381 1 9 . 1 1 66 66 ALA C C 146 177.870 177.870 177.012 0.858 17673 3382 1 9 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.709 1.311 17673 3383 1 9 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.591 -0.501 17673 3384 1 9 . 1 1 66 66 ALA H H 146 8.341 8.341 8.450 -0.109 17673 3385 1 9 . 1 1 284 284 ALA N N 364 124.540 124.540 126.413 -1.873 17673 3386 1 9 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.786 -0.522 17673 3387 1 9 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.120 0.535 17673 3388 1 9 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.418 -2.288 17673 3389 1 9 . 1 1 284 284 ALA H H 364 8.267 8.267 8.559 -0.292 17673 3390 1 9 . 1 1 285 285 HIS HA H 365 4.824 4.824 5.041 -0.217 17673 3391 1 9 . 1 1 285 285 HIS H H 365 8.447 8.447 8.227 0.220 17673 3392 1 9 . 1 1 286 286 SER N N 366 117.450 117.450 114.362 3.088 17673 3393 1 9 . 1 1 286 286 SER HA H 366 4.460 4.460 4.656 -0.196 17673 3394 1 9 . 1 1 286 286 SER CA C 366 58.330 58.330 57.129 1.201 17673 3395 1 9 . 1 1 286 286 SER CB C 366 64.030 64.030 66.034 -2.004 17673 3396 1 9 . 1 1 286 286 SER H H 366 8.287 8.287 8.265 0.022 17673 3397 1 9 . 1 1 287 287 SER N N 367 117.450 117.450 114.209 3.241 17673 3398 1 9 . 1 1 287 287 SER HA H 367 4.460 4.460 4.599 -0.139 17673 3399 1 9 . 1 1 287 287 SER CA C 367 58.330 58.330 58.374 -0.044 17673 3400 1 9 . 1 1 287 287 SER CB C 367 64.030 64.030 63.761 0.269 17673 3401 1 9 . 1 1 287 287 SER H H 367 8.287 8.287 8.461 -0.174 17673 3402 1 9 . 1 1 292 292 LYS N N 372 123.390 123.390 123.486 -0.096 17673 3403 1 9 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.189 0.159 17673 3404 1 9 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.578 -0.938 17673 3405 1 9 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.434 0.717 17673 3406 1 9 . 1 1 292 292 LYS H H 372 8.416 8.416 8.538 -0.122 17673 3407 1 9 . 1 1 293 293 LYS N N 373 123.390 123.390 118.691 4.699 17673 3408 1 9 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.161 0.187 17673 3409 1 9 . 1 1 293 293 LYS CA C 373 56.286 56.286 55.859 0.427 17673 3410 1 9 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.201 0.949 17673 3411 1 9 . 1 1 293 293 LYS H H 373 8.416 8.416 7.890 0.526 17673 3412 1 10 . 1 1 5 5 SER HA H 85 4.436 4.436 4.192 0.244 17673 3413 1 10 . 1 1 5 5 SER C C 85 173.840 173.840 174.116 -0.276 17673 3414 1 10 . 1 1 5 5 SER CA C 85 58.100 58.100 58.205 -0.105 17673 3415 1 10 . 1 1 5 5 SER CB C 85 64.010 64.010 63.429 0.581 17673 3416 1 10 . 1 1 6 6 GLU N N 86 122.440 122.440 121.147 1.293 17673 3417 1 10 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.279 -0.228 17673 3418 1 10 . 1 1 6 6 GLU C C 86 175.710 175.710 175.811 -0.101 17673 3419 1 10 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.633 1.486 17673 3420 1 10 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.919 -1.173 17673 3421 1 10 . 1 1 6 6 GLU H H 86 8.107 8.107 9.021 -0.914 17673 3422 1 10 . 1 1 7 7 PHE N N 87 118.700 118.700 117.497 1.203 17673 3423 1 10 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.138 0.735 17673 3424 1 10 . 1 1 7 7 PHE C C 87 174.600 174.600 174.084 0.516 17673 3425 1 10 . 1 1 7 7 PHE CA C 87 57.125 57.125 59.235 -2.110 17673 3426 1 10 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.061 4.708 17673 3427 1 10 . 1 1 7 7 PHE H H 87 7.598 7.598 8.728 -1.130 17673 3428 1 10 . 1 1 8 8 GLN N N 88 118.630 118.630 119.386 -0.756 17673 3429 1 10 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.776 -0.098 17673 3430 1 10 . 1 1 8 8 GLN C C 88 175.670 175.670 175.243 0.427 17673 3431 1 10 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.601 -0.146 17673 3432 1 10 . 1 1 8 8 GLN CB C 88 31.900 31.900 33.036 -1.136 17673 3433 1 10 . 1 1 8 8 GLN H H 88 8.906 8.906 7.971 0.935 17673 3434 1 10 . 1 1 9 9 ILE N N 89 118.880 118.880 120.940 -2.060 17673 3435 1 10 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.601 -0.205 17673 3436 1 10 . 1 1 9 9 ILE C C 89 177.130 177.130 176.296 0.834 17673 3437 1 10 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.951 -0.259 17673 3438 1 10 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.320 0.110 17673 3439 1 10 . 1 1 9 9 ILE H H 89 8.384 8.384 8.400 -0.016 17673 3440 1 10 . 1 1 10 10 ASN N N 90 119.090 119.090 118.842 0.248 17673 3441 1 10 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.324 -0.080 17673 3442 1 10 . 1 1 10 10 ASN C C 90 173.870 173.870 173.800 0.070 17673 3443 1 10 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.983 0.707 17673 3444 1 10 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.890 0.510 17673 3445 1 10 . 1 1 10 10 ASN H H 90 9.136 9.136 8.989 0.147 17673 3446 1 10 . 1 1 11 11 GLU N N 91 122.200 122.200 118.004 4.196 17673 3447 1 10 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.652 -0.448 17673 3448 1 10 . 1 1 11 11 GLU C C 91 176.040 176.040 174.809 1.231 17673 3449 1 10 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.760 2.940 17673 3450 1 10 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.580 -1.200 17673 3451 1 10 . 1 1 11 11 GLU H H 91 8.157 8.157 7.915 0.242 17673 3452 1 10 . 1 1 12 12 GLN N N 92 124.360 124.360 119.524 4.836 17673 3453 1 10 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.102 -0.268 17673 3454 1 10 . 1 1 12 12 GLN C C 92 174.920 174.920 176.292 -1.372 17673 3455 1 10 . 1 1 12 12 GLN CA C 92 55.726 55.726 56.776 -1.050 17673 3456 1 10 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.493 -0.501 17673 3457 1 10 . 1 1 12 12 GLN H H 92 8.605 8.605 8.653 -0.048 17673 3458 1 10 . 1 1 13 13 VAL N N 93 118.540 118.540 113.539 5.001 17673 3459 1 10 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.517 0.186 17673 3460 1 10 . 1 1 13 13 VAL C C 93 174.780 174.780 173.980 0.800 17673 3461 1 10 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.838 -0.305 17673 3462 1 10 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.561 0.426 17673 3463 1 10 . 1 1 13 13 VAL H H 93 8.997 8.997 9.053 -0.056 17673 3464 1 10 . 1 1 14 14 LEU N N 94 118.610 118.610 120.662 -2.052 17673 3465 1 10 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.225 -0.223 17673 3466 1 10 . 1 1 14 14 LEU C C 94 175.290 175.290 175.382 -0.092 17673 3467 1 10 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.411 0.447 17673 3468 1 10 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.561 1.097 17673 3469 1 10 . 1 1 14 14 LEU H H 94 8.618 8.618 8.623 -0.005 17673 3470 1 10 . 1 1 15 15 ALA N N 95 122.870 122.870 125.973 -3.103 17673 3471 1 10 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.496 0.369 17673 3472 1 10 . 1 1 15 15 ALA C C 95 176.220 176.220 176.694 -0.474 17673 3473 1 10 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.362 -0.412 17673 3474 1 10 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.791 0.349 17673 3475 1 10 . 1 1 15 15 ALA H H 95 9.335 9.335 9.397 -0.062 17673 3476 1 10 . 1 1 16 16 SER N N 96 117.200 117.200 120.900 -3.700 17673 3477 1 10 . 1 1 16 16 SER HA H 96 4.520 4.520 4.528 -0.008 17673 3478 1 10 . 1 1 16 16 SER C C 96 174.250 174.250 174.078 0.172 17673 3479 1 10 . 1 1 16 16 SER CA C 96 57.245 57.245 59.205 -1.960 17673 3480 1 10 . 1 1 16 16 SER CB C 96 63.974 63.974 63.126 0.848 17673 3481 1 10 . 1 1 16 16 SER H H 96 8.513 8.513 8.804 -0.291 17673 3482 1 10 . 1 1 17 17 TRP N N 97 125.340 125.340 129.619 -4.279 17673 3483 1 10 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.494 0.743 17673 3484 1 10 . 1 1 17 17 TRP C C 97 176.630 176.630 177.249 -0.619 17673 3485 1 10 . 1 1 17 17 TRP CA C 97 54.890 54.890 57.289 -2.399 17673 3486 1 10 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.345 0.675 17673 3487 1 10 . 1 1 17 17 TRP H H 97 8.621 8.621 8.728 -0.107 17673 3488 1 10 . 1 1 18 18 SER N N 98 118.120 118.120 118.347 -0.227 17673 3489 1 10 . 1 1 18 18 SER HA H 98 3.912 3.912 3.938 -0.026 17673 3490 1 10 . 1 1 18 18 SER C C 98 173.650 173.650 175.204 -1.554 17673 3491 1 10 . 1 1 18 18 SER CA C 98 59.400 59.400 60.595 -1.195 17673 3492 1 10 . 1 1 18 18 SER CB C 98 62.330 62.330 62.911 -0.581 17673 3493 1 10 . 1 1 18 18 SER H H 98 6.530 6.530 8.170 -1.640 17673 3494 1 10 . 1 1 19 19 ASP N N 99 119.980 119.980 118.377 1.603 17673 3495 1 10 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.229 0.211 17673 3496 1 10 . 1 1 19 19 ASP C C 99 176.200 176.200 176.615 -0.415 17673 3497 1 10 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.936 -2.516 17673 3498 1 10 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.356 -1.166 17673 3499 1 10 . 1 1 19 19 ASP H H 99 7.834 7.834 7.529 0.305 17673 3500 1 10 . 1 1 20 20 SER N N 100 110.670 110.670 109.834 0.836 17673 3501 1 10 . 1 1 20 20 SER HA H 100 3.923 3.923 4.478 -0.555 17673 3502 1 10 . 1 1 20 20 SER C C 100 173.090 173.090 173.792 -0.702 17673 3503 1 10 . 1 1 20 20 SER CA C 100 60.410 60.410 58.896 1.514 17673 3504 1 10 . 1 1 20 20 SER CB C 100 62.350 62.350 64.375 -2.025 17673 3505 1 10 . 1 1 20 20 SER H H 100 8.127 8.127 8.354 -0.227 17673 3506 1 10 . 1 1 21 21 ARG N N 101 120.850 120.850 120.796 0.054 17673 3507 1 10 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.453 0.018 17673 3508 1 10 . 1 1 21 21 ARG C C 101 174.190 174.190 174.698 -0.508 17673 3509 1 10 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.543 0.467 17673 3510 1 10 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.721 0.279 17673 3511 1 10 . 1 1 21 21 ARG H H 101 8.097 8.097 8.162 -0.065 17673 3512 1 10 . 1 1 22 22 PHE N N 102 118.370 118.370 119.467 -1.097 17673 3513 1 10 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.447 0.386 17673 3514 1 10 . 1 1 22 22 PHE C C 102 175.840 175.840 175.525 0.315 17673 3515 1 10 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.455 -1.715 17673 3516 1 10 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.473 2.547 17673 3517 1 10 . 1 1 22 22 PHE H H 102 8.400 8.400 7.778 0.622 17673 3518 1 10 . 1 1 23 23 TYR N N 103 119.450 119.450 120.149 -0.699 17673 3519 1 10 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.328 -0.188 17673 3520 1 10 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.277 0.433 17673 3521 1 10 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.072 -0.412 17673 3522 1 10 . 1 1 23 23 TYR H H 103 9.263 9.263 8.659 0.604 17673 3523 1 10 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.272 -0.244 17673 3524 1 10 . 1 1 24 24 PRO C C 104 175.500 175.500 175.834 -0.334 17673 3525 1 10 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.822 1.038 17673 3526 1 10 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.623 -0.023 17673 3527 1 10 . 1 1 25 25 ALA N N 105 124.530 124.530 121.807 2.723 17673 3528 1 10 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.952 0.846 17673 3529 1 10 . 1 1 25 25 ALA C C 105 174.470 174.470 174.609 -0.139 17673 3530 1 10 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.699 0.181 17673 3531 1 10 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.524 0.876 17673 3532 1 10 . 1 1 25 25 ALA H H 105 9.121 9.121 8.877 0.244 17673 3533 1 10 . 1 1 26 26 LYS N N 106 117.940 117.940 120.592 -2.652 17673 3534 1 10 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.916 0.301 17673 3535 1 10 . 1 1 26 26 LYS C C 106 176.420 176.420 176.103 0.317 17673 3536 1 10 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.638 -0.638 17673 3537 1 10 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.891 1.189 17673 3538 1 10 . 1 1 26 26 LYS H H 106 8.064 8.064 8.444 -0.380 17673 3539 1 10 . 1 1 27 27 VAL N N 107 123.950 123.950 127.259 -3.309 17673 3540 1 10 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.000 -0.044 17673 3541 1 10 . 1 1 27 27 VAL C C 107 177.040 177.040 176.886 0.154 17673 3542 1 10 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.638 0.422 17673 3543 1 10 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.186 0.744 17673 3544 1 10 . 1 1 27 27 VAL H H 107 8.264 8.264 8.747 -0.483 17673 3545 1 10 . 1 1 28 28 THR N N 108 121.600 121.600 117.843 3.757 17673 3546 1 10 . 1 1 28 28 THR HA H 108 4.680 4.680 4.509 0.171 17673 3547 1 10 . 1 1 28 28 THR C C 108 175.270 175.270 174.556 0.714 17673 3548 1 10 . 1 1 28 28 THR CA C 108 62.180 62.180 61.455 0.725 17673 3549 1 10 . 1 1 28 28 THR CB C 108 68.940 68.940 70.330 -1.390 17673 3550 1 10 . 1 1 28 28 THR H H 108 9.633 9.633 8.969 0.664 17673 3551 1 10 . 1 1 29 29 ALA N N 109 123.390 123.390 123.898 -0.508 17673 3552 1 10 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.634 -0.195 17673 3553 1 10 . 1 1 29 29 ALA C C 109 174.910 174.910 174.852 0.058 17673 3554 1 10 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.799 1.611 17673 3555 1 10 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.545 0.670 17673 3556 1 10 . 1 1 29 29 ALA H H 109 8.058 8.058 7.765 0.293 17673 3557 1 10 . 1 1 30 30 VAL N N 110 123.310 123.310 118.486 4.824 17673 3558 1 10 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.162 -0.062 17673 3559 1 10 . 1 1 30 30 VAL C C 110 175.510 175.510 174.507 1.003 17673 3560 1 10 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.301 1.379 17673 3561 1 10 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.406 -2.676 17673 3562 1 10 . 1 1 30 30 VAL H H 110 8.541 8.541 8.257 0.284 17673 3563 1 10 . 1 1 31 31 ASN N N 111 123.230 123.230 123.894 -0.664 17673 3564 1 10 . 1 1 31 31 ASN HA H 111 4.937 4.937 5.001 -0.064 17673 3565 1 10 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.108 0.987 17673 3566 1 10 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.485 -0.935 17673 3567 1 10 . 1 1 31 31 ASN H H 111 7.957 7.957 8.759 -0.802 17673 3568 1 10 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.922 0.262 17673 3569 1 10 . 1 1 32 32 LYS C C 112 176.120 176.120 177.095 -0.975 17673 3570 1 10 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.650 -0.340 17673 3571 1 10 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.385 -0.474 17673 3572 1 10 . 1 1 33 33 ASP N N 113 117.410 117.410 116.668 0.742 17673 3573 1 10 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.423 0.109 17673 3574 1 10 . 1 1 33 33 ASP C C 113 177.040 177.040 177.035 0.005 17673 3575 1 10 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.183 -2.296 17673 3576 1 10 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.078 -1.088 17673 3577 1 10 . 1 1 33 33 ASP H H 113 7.867 7.867 8.087 -0.220 17673 3578 1 10 . 1 1 34 34 GLY N N 114 107.300 107.300 105.583 1.717 17673 3579 1 10 . 1 1 34 34 GLY C C 114 174.640 174.640 173.340 1.300 17673 3580 1 10 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.889 0.901 17673 3581 1 10 . 1 1 34 34 GLY H H 114 7.944 7.944 8.034 -0.090 17673 3582 1 10 . 1 1 35 35 THR N N 115 108.940 108.940 111.902 -2.962 17673 3583 1 10 . 1 1 35 35 THR HA H 115 4.824 4.824 5.415 -0.591 17673 3584 1 10 . 1 1 35 35 THR C C 115 173.650 173.650 172.330 1.320 17673 3585 1 10 . 1 1 35 35 THR CA C 115 60.640 60.640 59.764 0.876 17673 3586 1 10 . 1 1 35 35 THR CB C 115 72.740 72.740 72.217 0.523 17673 3587 1 10 . 1 1 35 35 THR H H 115 7.381 7.381 7.836 -0.455 17673 3588 1 10 . 1 1 36 36 TYR N N 116 116.170 116.170 118.037 -1.867 17673 3589 1 10 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.993 0.182 17673 3590 1 10 . 1 1 36 36 TYR C C 116 175.890 175.890 174.369 1.521 17673 3591 1 10 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.491 -0.481 17673 3592 1 10 . 1 1 36 36 TYR CB C 116 42.170 42.170 44.028 -1.858 17673 3593 1 10 . 1 1 36 36 TYR H H 116 9.058 9.058 9.352 -0.294 17673 3594 1 10 . 1 1 37 37 THR N N 117 120.780 120.780 119.014 1.766 17673 3595 1 10 . 1 1 37 37 THR HA H 117 5.116 5.116 5.407 -0.291 17673 3596 1 10 . 1 1 37 37 THR C C 117 173.990 173.990 173.191 0.799 17673 3597 1 10 . 1 1 37 37 THR CA C 117 63.060 63.060 61.163 1.897 17673 3598 1 10 . 1 1 37 37 THR CB C 117 69.255 69.255 71.130 -1.875 17673 3599 1 10 . 1 1 37 37 THR H H 117 9.035 9.035 9.001 0.034 17673 3600 1 10 . 1 1 38 38 VAL N N 118 120.000 120.000 120.306 -0.306 17673 3601 1 10 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.099 0.150 17673 3602 1 10 . 1 1 38 38 VAL C C 118 172.390 172.390 173.010 -0.620 17673 3603 1 10 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.258 -1.518 17673 3604 1 10 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.365 -0.435 17673 3605 1 10 . 1 1 38 38 VAL H H 118 9.183 9.183 8.990 0.193 17673 3606 1 10 . 1 1 39 39 LYS N N 119 121.000 121.000 121.804 -0.804 17673 3607 1 10 . 1 1 39 39 LYS HA H 119 5.062 5.062 4.999 0.063 17673 3608 1 10 . 1 1 39 39 LYS C C 119 178.050 178.050 175.208 2.842 17673 3609 1 10 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.194 0.016 17673 3610 1 10 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.752 -0.833 17673 3611 1 10 . 1 1 39 39 LYS H H 119 8.802 8.802 8.721 0.081 17673 3612 1 10 . 1 1 40 40 PHE N N 120 127.480 127.480 125.655 1.825 17673 3613 1 10 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.266 0.480 17673 3614 1 10 . 1 1 40 40 PHE C C 120 178.110 178.110 176.979 1.131 17673 3615 1 10 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.544 2.067 17673 3616 1 10 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.786 2.254 17673 3617 1 10 . 1 1 40 40 PHE H H 120 9.634 9.634 9.024 0.610 17673 3618 1 10 . 1 1 41 41 TYR N N 121 119.600 119.600 122.557 -2.957 17673 3619 1 10 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.215 0.189 17673 3620 1 10 . 1 1 41 41 TYR C C 121 174.890 174.890 176.957 -2.067 17673 3621 1 10 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.670 -0.758 17673 3622 1 10 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.917 -0.477 17673 3623 1 10 . 1 1 41 41 TYR H H 121 8.679 8.679 8.172 0.507 17673 3624 1 10 . 1 1 42 42 ASP N N 122 117.780 117.780 117.552 0.228 17673 3625 1 10 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.498 -0.185 17673 3626 1 10 . 1 1 42 42 ASP C C 122 176.810 176.810 177.439 -0.629 17673 3627 1 10 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.008 -2.338 17673 3628 1 10 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.239 -2.529 17673 3629 1 10 . 1 1 42 42 ASP H H 122 7.128 7.128 7.991 -0.863 17673 3630 1 10 . 1 1 43 43 GLY N N 123 108.200 108.200 106.133 2.067 17673 3631 1 10 . 1 1 43 43 GLY C C 123 173.670 173.670 174.242 -0.572 17673 3632 1 10 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.706 0.544 17673 3633 1 10 . 1 1 43 43 GLY H H 123 8.242 8.242 8.081 0.161 17673 3634 1 10 . 1 1 44 44 VAL N N 124 121.320 121.320 122.169 -0.849 17673 3635 1 10 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.107 -0.264 17673 3636 1 10 . 1 1 44 44 VAL C C 124 174.610 174.610 175.391 -0.781 17673 3637 1 10 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.238 0.732 17673 3638 1 10 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.500 -0.260 17673 3639 1 10 . 1 1 44 44 VAL H H 124 6.877 6.877 8.006 -1.129 17673 3640 1 10 . 1 1 45 45 VAL N N 125 129.030 129.030 124.969 4.061 17673 3641 1 10 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.051 0.218 17673 3642 1 10 . 1 1 45 45 VAL C C 125 176.640 176.640 175.375 1.265 17673 3643 1 10 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.814 0.266 17673 3644 1 10 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.996 -1.576 17673 3645 1 10 . 1 1 45 45 VAL H H 125 8.529 8.529 8.434 0.095 17673 3646 1 10 . 1 1 46 46 GLN N N 126 125.880 125.880 124.948 0.932 17673 3647 1 10 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.843 -0.006 17673 3648 1 10 . 1 1 46 46 GLN C C 126 173.960 173.960 174.157 -0.197 17673 3649 1 10 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.233 0.407 17673 3650 1 10 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.423 2.256 17673 3651 1 10 . 1 1 46 46 GLN H H 126 8.989 8.989 8.968 0.021 17673 3652 1 10 . 1 1 47 47 THR N N 127 121.970 121.970 119.219 2.751 17673 3653 1 10 . 1 1 47 47 THR HA H 127 5.347 5.347 5.423 -0.076 17673 3654 1 10 . 1 1 47 47 THR C C 127 174.500 174.500 173.950 0.550 17673 3655 1 10 . 1 1 47 47 THR CA C 127 62.730 62.730 61.612 1.118 17673 3656 1 10 . 1 1 47 47 THR CB C 127 69.540 69.540 69.907 -0.367 17673 3657 1 10 . 1 1 47 47 THR H H 127 8.912 8.912 8.516 0.396 17673 3658 1 10 . 1 1 48 48 VAL N N 128 121.810 121.810 121.245 0.565 17673 3659 1 10 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.030 -0.028 17673 3660 1 10 . 1 1 48 48 VAL C C 128 174.840 174.840 174.085 0.755 17673 3661 1 10 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.753 -0.703 17673 3662 1 10 . 1 1 48 48 VAL CB C 128 35.840 35.840 34.929 0.911 17673 3663 1 10 . 1 1 48 48 VAL H H 128 9.513 9.513 9.191 0.322 17673 3664 1 10 . 1 1 49 49 LYS N N 129 121.050 121.050 119.125 1.925 17673 3665 1 10 . 1 1 49 49 LYS HA H 129 4.436 4.436 5.004 -0.568 17673 3666 1 10 . 1 1 49 49 LYS C C 129 178.110 178.110 178.345 -0.235 17673 3667 1 10 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.683 2.427 17673 3668 1 10 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.291 -0.121 17673 3669 1 10 . 1 1 49 49 LYS H H 129 9.021 9.021 8.729 0.292 17673 3670 1 10 . 1 1 50 50 HIS N N 130 119.600 119.600 120.786 -1.186 17673 3671 1 10 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.404 0.071 17673 3672 1 10 . 1 1 50 50 HIS C C 130 176.820 176.820 177.643 -0.823 17673 3673 1 10 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.406 0.944 17673 3674 1 10 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.236 0.223 17673 3675 1 10 . 1 1 50 50 HIS H H 130 8.679 8.679 8.639 0.040 17673 3676 1 10 . 1 1 51 51 ILE N N 131 109.320 109.320 113.414 -4.094 17673 3677 1 10 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.650 0.610 17673 3678 1 10 . 1 1 51 51 ILE C C 131 176.350 176.350 175.855 0.495 17673 3679 1 10 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.705 0.006 17673 3680 1 10 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.786 1.274 17673 3681 1 10 . 1 1 51 51 ILE H H 131 6.790 6.790 8.107 -1.317 17673 3682 1 10 . 1 1 52 52 HIS N N 132 121.710 121.710 115.479 6.231 17673 3683 1 10 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.859 0.113 17673 3684 1 10 . 1 1 52 52 HIS C C 132 172.680 172.680 173.892 -1.212 17673 3685 1 10 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.837 -0.727 17673 3686 1 10 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.991 -0.161 17673 3687 1 10 . 1 1 52 52 HIS H H 132 8.064 8.064 7.761 0.303 17673 3688 1 10 . 1 1 53 53 VAL N N 133 118.360 118.360 118.070 0.290 17673 3689 1 10 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.072 -0.068 17673 3690 1 10 . 1 1 53 53 VAL C C 133 173.990 173.990 173.781 0.209 17673 3691 1 10 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.959 0.341 17673 3692 1 10 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.248 -1.198 17673 3693 1 10 . 1 1 53 53 VAL H H 133 7.614 7.614 7.456 0.158 17673 3694 1 10 . 1 1 54 54 LYS N N 134 123.720 123.720 121.079 2.641 17673 3695 1 10 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.828 -0.008 17673 3696 1 10 . 1 1 54 54 LYS C C 134 173.820 173.820 174.411 -0.591 17673 3697 1 10 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.578 0.642 17673 3698 1 10 . 1 1 54 54 LYS CB C 134 36.630 36.630 36.082 0.548 17673 3699 1 10 . 1 1 54 54 LYS H H 134 9.207 9.207 8.720 0.487 17673 3700 1 10 . 1 1 55 55 ALA N N 135 121.610 121.610 121.367 0.243 17673 3701 1 10 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.890 0.546 17673 3702 1 10 . 1 1 55 55 ALA C C 135 177.670 177.670 176.715 0.955 17673 3703 1 10 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.550 -0.350 17673 3704 1 10 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.719 0.391 17673 3705 1 10 . 1 1 55 55 ALA H H 135 8.560 8.560 8.307 0.253 17673 3706 1 10 . 1 1 56 56 PHE N N 136 120.080 120.080 119.369 0.711 17673 3707 1 10 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.126 0.137 17673 3708 1 10 . 1 1 56 56 PHE C C 136 175.380 175.380 175.598 -0.218 17673 3709 1 10 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.940 -0.080 17673 3710 1 10 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.470 0.680 17673 3711 1 10 . 1 1 56 56 PHE H H 136 8.680 8.680 8.225 0.455 17673 3712 1 10 . 1 1 57 57 SER N N 137 117.820 117.820 113.720 4.100 17673 3713 1 10 . 1 1 57 57 SER HA H 137 4.367 4.367 4.220 0.147 17673 3714 1 10 . 1 1 57 57 SER CA C 137 57.350 57.350 59.317 -1.967 17673 3715 1 10 . 1 1 57 57 SER CB C 137 64.220 64.220 63.045 1.175 17673 3716 1 10 . 1 1 57 57 SER H H 137 7.298 7.298 7.376 -0.078 17673 3717 1 10 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.680 0.498 17673 3718 1 10 . 1 1 58 58 LYS C C 138 176.260 176.260 177.667 -1.407 17673 3719 1 10 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.556 -2.816 17673 3720 1 10 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.704 0.096 17673 3721 1 10 . 1 1 59 59 ASP N N 139 120.500 120.500 117.207 3.293 17673 3722 1 10 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.396 0.129 17673 3723 1 10 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.115 -1.475 17673 3724 1 10 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.267 -0.287 17673 3725 1 10 . 1 1 59 59 ASP H H 139 8.245 8.245 8.579 -0.334 17673 3726 1 10 . 1 1 60 60 GLN N N 140 120.290 120.290 116.164 4.126 17673 3727 1 10 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.478 -0.231 17673 3728 1 10 . 1 1 60 60 GLN CA C 140 56.060 56.060 55.002 1.058 17673 3729 1 10 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.795 -3.405 17673 3730 1 10 . 1 1 60 60 GLN H H 140 8.212 8.212 8.372 -0.160 17673 3731 1 10 . 1 1 61 61 ASN N N 141 121.710 121.710 117.575 4.135 17673 3732 1 10 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.782 -0.061 17673 3733 1 10 . 1 1 61 61 ASN CA C 141 53.079 53.079 52.834 0.245 17673 3734 1 10 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.970 -1.060 17673 3735 1 10 . 1 1 61 61 ASN H H 141 8.064 8.064 8.649 -0.585 17673 3736 1 10 . 1 1 62 62 ILE N N 142 120.890 120.890 118.110 2.780 17673 3737 1 10 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.370 -0.198 17673 3738 1 10 . 1 1 62 62 ILE C C 142 176.330 176.330 174.826 1.504 17673 3739 1 10 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.371 -0.021 17673 3740 1 10 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.446 0.129 17673 3741 1 10 . 1 1 62 62 ILE H H 142 8.010 8.010 8.737 -0.727 17673 3742 1 10 . 1 1 63 63 VAL N N 143 123.520 123.520 119.249 4.271 17673 3743 1 10 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.353 -0.245 17673 3744 1 10 . 1 1 63 63 VAL C C 143 176.740 176.740 175.848 0.892 17673 3745 1 10 . 1 1 63 63 VAL CA C 143 62.710 62.710 60.392 2.318 17673 3746 1 10 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.797 -2.228 17673 3747 1 10 . 1 1 63 63 VAL H H 143 8.157 8.157 7.678 0.479 17673 3748 1 10 . 1 1 64 64 GLY N N 144 112.060 112.060 114.591 -2.531 17673 3749 1 10 . 1 1 64 64 GLY C C 144 173.940 173.940 173.774 0.166 17673 3750 1 10 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.772 -1.292 17673 3751 1 10 . 1 1 64 64 GLY H H 144 8.408 8.408 8.684 -0.276 17673 3752 1 10 . 1 1 65 65 ASN N N 145 118.830 118.830 120.481 -1.651 17673 3753 1 10 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.741 -0.025 17673 3754 1 10 . 1 1 65 65 ASN C C 145 175.220 175.220 173.814 1.406 17673 3755 1 10 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.190 0.970 17673 3756 1 10 . 1 1 65 65 ASN CB C 145 39.000 39.000 38.647 0.353 17673 3757 1 10 . 1 1 65 65 ASN H H 145 8.305 8.305 8.042 0.263 17673 3758 1 10 . 1 1 66 66 ALA N N 146 124.400 124.400 123.609 0.791 17673 3759 1 10 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.253 0.087 17673 3760 1 10 . 1 1 66 66 ALA C C 146 177.870 177.870 176.594 1.276 17673 3761 1 10 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.813 0.207 17673 3762 1 10 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.462 -0.372 17673 3763 1 10 . 1 1 66 66 ALA H H 146 8.341 8.341 8.130 0.211 17673 3764 1 10 . 1 1 284 284 ALA N N 364 124.540 124.540 124.124 0.416 17673 3765 1 10 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.689 -0.425 17673 3766 1 10 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.058 0.597 17673 3767 1 10 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.120 -1.990 17673 3768 1 10 . 1 1 284 284 ALA H H 364 8.267 8.267 8.732 -0.465 17673 3769 1 10 . 1 1 285 285 HIS HA H 365 4.824 4.824 5.072 -0.248 17673 3770 1 10 . 1 1 285 285 HIS H H 365 8.447 8.447 8.148 0.299 17673 3771 1 10 . 1 1 286 286 SER N N 366 117.450 117.450 114.251 3.199 17673 3772 1 10 . 1 1 286 286 SER HA H 366 4.460 4.460 4.513 -0.053 17673 3773 1 10 . 1 1 286 286 SER CA C 366 58.330 58.330 57.215 1.115 17673 3774 1 10 . 1 1 286 286 SER CB C 366 64.030 64.030 66.148 -2.118 17673 3775 1 10 . 1 1 286 286 SER H H 366 8.287 8.287 7.697 0.590 17673 3776 1 10 . 1 1 287 287 SER N N 367 117.450 117.450 114.668 2.782 17673 3777 1 10 . 1 1 287 287 SER HA H 367 4.460 4.460 4.697 -0.237 17673 3778 1 10 . 1 1 287 287 SER CA C 367 58.330 58.330 58.501 -0.171 17673 3779 1 10 . 1 1 287 287 SER CB C 367 64.030 64.030 64.220 -0.190 17673 3780 1 10 . 1 1 287 287 SER H H 367 8.287 8.287 8.437 -0.150 17673 3781 1 10 . 1 1 292 292 LYS N N 372 123.390 123.390 122.980 0.410 17673 3782 1 10 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.190 0.158 17673 3783 1 10 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.471 -0.832 17673 3784 1 10 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.327 0.823 17673 3785 1 10 . 1 1 292 292 LYS H H 372 8.416 8.416 8.474 -0.058 17673 3786 1 10 . 1 1 293 293 LYS N N 373 123.390 123.390 118.812 4.578 17673 3787 1 10 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.221 0.127 17673 3788 1 10 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.072 0.214 17673 3789 1 10 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.550 0.600 17673 3790 1 10 . 1 1 293 293 LYS H H 373 8.416 8.416 8.075 0.341 17673 3791 1 11 . 1 1 5 5 SER HA H 85 4.436 4.436 4.189 0.247 17673 3792 1 11 . 1 1 5 5 SER C C 85 173.840 173.840 173.868 -0.028 17673 3793 1 11 . 1 1 5 5 SER CA C 85 58.100 58.100 58.671 -0.571 17673 3794 1 11 . 1 1 5 5 SER CB C 85 64.010 64.010 63.197 0.813 17673 3795 1 11 . 1 1 6 6 GLU N N 86 122.440 122.440 119.688 2.752 17673 3796 1 11 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.237 -0.186 17673 3797 1 11 . 1 1 6 6 GLU C C 86 175.710 175.710 176.122 -0.412 17673 3798 1 11 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.967 1.152 17673 3799 1 11 . 1 1 6 6 GLU CB C 86 30.746 30.746 32.380 -1.634 17673 3800 1 11 . 1 1 6 6 GLU H H 86 8.107 8.107 8.998 -0.891 17673 3801 1 11 . 1 1 7 7 PHE N N 87 118.700 118.700 117.286 1.414 17673 3802 1 11 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.244 0.629 17673 3803 1 11 . 1 1 7 7 PHE C C 87 174.600 174.600 174.647 -0.047 17673 3804 1 11 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.676 -1.551 17673 3805 1 11 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.849 3.920 17673 3806 1 11 . 1 1 7 7 PHE H H 87 7.598 7.598 8.652 -1.054 17673 3807 1 11 . 1 1 8 8 GLN N N 88 118.630 118.630 119.302 -0.672 17673 3808 1 11 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.806 -0.128 17673 3809 1 11 . 1 1 8 8 GLN C C 88 175.670 175.670 175.290 0.380 17673 3810 1 11 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.202 -0.746 17673 3811 1 11 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.531 0.369 17673 3812 1 11 . 1 1 8 8 GLN H H 88 8.906 8.906 8.037 0.869 17673 3813 1 11 . 1 1 9 9 ILE N N 89 118.880 118.880 120.915 -2.035 17673 3814 1 11 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.585 -0.189 17673 3815 1 11 . 1 1 9 9 ILE C C 89 177.130 177.130 176.353 0.777 17673 3816 1 11 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.897 -0.205 17673 3817 1 11 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.349 0.081 17673 3818 1 11 . 1 1 9 9 ILE H H 89 8.384 8.384 8.384 -0.000 17673 3819 1 11 . 1 1 10 10 ASN N N 90 119.090 119.090 118.461 0.629 17673 3820 1 11 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.324 -0.080 17673 3821 1 11 . 1 1 10 10 ASN C C 90 173.870 173.870 173.830 0.040 17673 3822 1 11 . 1 1 10 10 ASN CA C 90 55.690 55.690 55.063 0.627 17673 3823 1 11 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.978 0.422 17673 3824 1 11 . 1 1 10 10 ASN H H 90 9.136 9.136 8.952 0.184 17673 3825 1 11 . 1 1 11 11 GLU N N 91 122.200 122.200 117.940 4.260 17673 3826 1 11 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.622 -0.418 17673 3827 1 11 . 1 1 11 11 GLU C C 91 176.040 176.040 175.312 0.728 17673 3828 1 11 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.811 2.889 17673 3829 1 11 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.578 -1.198 17673 3830 1 11 . 1 1 11 11 GLU H H 91 8.157 8.157 8.038 0.119 17673 3831 1 11 . 1 1 12 12 GLN N N 92 124.360 124.360 119.310 5.050 17673 3832 1 11 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.302 -0.468 17673 3833 1 11 . 1 1 12 12 GLN C C 92 174.920 174.920 176.029 -1.109 17673 3834 1 11 . 1 1 12 12 GLN CA C 92 55.726 55.726 55.348 0.378 17673 3835 1 11 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.846 -0.854 17673 3836 1 11 . 1 1 12 12 GLN H H 92 8.605 8.605 8.615 -0.010 17673 3837 1 11 . 1 1 13 13 VAL N N 93 118.540 118.540 113.579 4.961 17673 3838 1 11 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.507 0.196 17673 3839 1 11 . 1 1 13 13 VAL C C 93 174.780 174.780 173.927 0.853 17673 3840 1 11 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.046 -0.513 17673 3841 1 11 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.025 0.962 17673 3842 1 11 . 1 1 13 13 VAL H H 93 8.997 8.997 9.094 -0.097 17673 3843 1 11 . 1 1 14 14 LEU N N 94 118.610 118.610 121.049 -2.439 17673 3844 1 11 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.014 -0.012 17673 3845 1 11 . 1 1 14 14 LEU C C 94 175.290 175.290 175.195 0.095 17673 3846 1 11 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.707 0.151 17673 3847 1 11 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.662 1.996 17673 3848 1 11 . 1 1 14 14 LEU H H 94 8.618 8.618 8.731 -0.113 17673 3849 1 11 . 1 1 15 15 ALA N N 95 122.870 122.870 126.131 -3.261 17673 3850 1 11 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.288 0.577 17673 3851 1 11 . 1 1 15 15 ALA C C 95 176.220 176.220 176.621 -0.401 17673 3852 1 11 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.376 -0.426 17673 3853 1 11 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.936 0.204 17673 3854 1 11 . 1 1 15 15 ALA H H 95 9.335 9.335 9.327 0.008 17673 3855 1 11 . 1 1 16 16 SER N N 96 117.200 117.200 120.422 -3.222 17673 3856 1 11 . 1 1 16 16 SER HA H 96 4.520 4.520 4.703 -0.183 17673 3857 1 11 . 1 1 16 16 SER C C 96 174.250 174.250 174.638 -0.388 17673 3858 1 11 . 1 1 16 16 SER CA C 96 57.245 57.245 59.570 -2.325 17673 3859 1 11 . 1 1 16 16 SER CB C 96 63.974 63.974 63.576 0.398 17673 3860 1 11 . 1 1 16 16 SER H H 96 8.513 8.513 8.855 -0.342 17673 3861 1 11 . 1 1 17 17 TRP N N 97 125.340 125.340 130.344 -5.004 17673 3862 1 11 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.493 0.744 17673 3863 1 11 . 1 1 17 17 TRP C C 97 176.630 176.630 177.187 -0.557 17673 3864 1 11 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.859 -1.969 17673 3865 1 11 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.224 0.796 17673 3866 1 11 . 1 1 17 17 TRP H H 97 8.621 8.621 9.174 -0.553 17673 3867 1 11 . 1 1 18 18 SER N N 98 118.120 118.120 117.932 0.188 17673 3868 1 11 . 1 1 18 18 SER HA H 98 3.912 3.912 3.938 -0.026 17673 3869 1 11 . 1 1 18 18 SER C C 98 173.650 173.650 174.979 -1.329 17673 3870 1 11 . 1 1 18 18 SER CA C 98 59.400 59.400 60.876 -1.476 17673 3871 1 11 . 1 1 18 18 SER CB C 98 62.330 62.330 62.677 -0.347 17673 3872 1 11 . 1 1 18 18 SER H H 98 6.530 6.530 8.051 -1.521 17673 3873 1 11 . 1 1 19 19 ASP N N 99 119.980 119.980 119.000 0.980 17673 3874 1 11 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.251 0.189 17673 3875 1 11 . 1 1 19 19 ASP C C 99 176.200 176.200 175.744 0.456 17673 3876 1 11 . 1 1 19 19 ASP CA C 99 53.420 53.420 54.975 -1.555 17673 3877 1 11 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.027 -0.837 17673 3878 1 11 . 1 1 19 19 ASP H H 99 7.834 7.834 7.787 0.047 17673 3879 1 11 . 1 1 20 20 SER N N 100 110.670 110.670 108.278 2.392 17673 3880 1 11 . 1 1 20 20 SER HA H 100 3.923 3.923 4.210 -0.287 17673 3881 1 11 . 1 1 20 20 SER C C 100 173.090 173.090 172.919 0.171 17673 3882 1 11 . 1 1 20 20 SER CA C 100 60.410 60.410 59.336 1.074 17673 3883 1 11 . 1 1 20 20 SER CB C 100 62.350 62.350 62.491 -0.141 17673 3884 1 11 . 1 1 20 20 SER H H 100 8.127 8.127 8.272 -0.145 17673 3885 1 11 . 1 1 21 21 ARG N N 101 120.850 120.850 117.460 3.390 17673 3886 1 11 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.431 0.040 17673 3887 1 11 . 1 1 21 21 ARG C C 101 174.190 174.190 174.099 0.091 17673 3888 1 11 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.284 0.726 17673 3889 1 11 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.867 0.133 17673 3890 1 11 . 1 1 21 21 ARG H H 101 8.097 8.097 7.374 0.723 17673 3891 1 11 . 1 1 22 22 PHE N N 102 118.370 118.370 118.827 -0.457 17673 3892 1 11 . 1 1 22 22 PHE HA H 102 4.833 4.833 5.036 -0.203 17673 3893 1 11 . 1 1 22 22 PHE C C 102 175.840 175.840 176.192 -0.352 17673 3894 1 11 . 1 1 22 22 PHE CA C 102 57.740 57.740 56.154 1.586 17673 3895 1 11 . 1 1 22 22 PHE CB C 102 41.020 41.020 39.008 2.012 17673 3896 1 11 . 1 1 22 22 PHE H H 102 8.400 8.400 8.035 0.365 17673 3897 1 11 . 1 1 23 23 TYR N N 103 119.450 119.450 120.634 -1.184 17673 3898 1 11 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.123 0.017 17673 3899 1 11 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.691 0.019 17673 3900 1 11 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.111 -0.451 17673 3901 1 11 . 1 1 23 23 TYR H H 103 9.263 9.263 9.118 0.145 17673 3902 1 11 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.262 -0.234 17673 3903 1 11 . 1 1 24 24 PRO C C 104 175.500 175.500 175.877 -0.377 17673 3904 1 11 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.815 1.045 17673 3905 1 11 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.518 0.082 17673 3906 1 11 . 1 1 25 25 ALA N N 105 124.530 124.530 122.011 2.519 17673 3907 1 11 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.925 0.873 17673 3908 1 11 . 1 1 25 25 ALA C C 105 174.470 174.470 174.656 -0.186 17673 3909 1 11 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.775 0.105 17673 3910 1 11 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.445 0.955 17673 3911 1 11 . 1 1 25 25 ALA H H 105 9.121 9.121 8.843 0.278 17673 3912 1 11 . 1 1 26 26 LYS N N 106 117.940 117.940 121.442 -3.502 17673 3913 1 11 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.740 0.477 17673 3914 1 11 . 1 1 26 26 LYS C C 106 176.420 176.420 176.073 0.347 17673 3915 1 11 . 1 1 26 26 LYS CA C 106 54.000 54.000 55.498 -1.498 17673 3916 1 11 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.293 1.787 17673 3917 1 11 . 1 1 26 26 LYS H H 106 8.064 8.064 8.356 -0.292 17673 3918 1 11 . 1 1 27 27 VAL N N 107 123.950 123.950 127.787 -3.837 17673 3919 1 11 . 1 1 27 27 VAL HA H 107 3.956 3.956 3.995 -0.039 17673 3920 1 11 . 1 1 27 27 VAL C C 107 177.040 177.040 176.801 0.239 17673 3921 1 11 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.981 0.079 17673 3922 1 11 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.623 0.307 17673 3923 1 11 . 1 1 27 27 VAL H H 107 8.264 8.264 8.974 -0.710 17673 3924 1 11 . 1 1 28 28 THR N N 108 121.600 121.600 119.112 2.488 17673 3925 1 11 . 1 1 28 28 THR HA H 108 4.680 4.680 4.453 0.227 17673 3926 1 11 . 1 1 28 28 THR C C 108 175.270 175.270 174.570 0.700 17673 3927 1 11 . 1 1 28 28 THR CA C 108 62.180 62.180 61.486 0.694 17673 3928 1 11 . 1 1 28 28 THR CB C 108 68.940 68.940 70.493 -1.553 17673 3929 1 11 . 1 1 28 28 THR H H 108 9.633 9.633 8.787 0.846 17673 3930 1 11 . 1 1 29 29 ALA N N 109 123.390 123.390 123.981 -0.591 17673 3931 1 11 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.555 -0.116 17673 3932 1 11 . 1 1 29 29 ALA C C 109 174.910 174.910 174.829 0.081 17673 3933 1 11 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.867 1.543 17673 3934 1 11 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.512 0.703 17673 3935 1 11 . 1 1 29 29 ALA H H 109 8.058 8.058 7.742 0.316 17673 3936 1 11 . 1 1 30 30 VAL N N 110 123.310 123.310 118.683 4.627 17673 3937 1 11 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.222 -0.122 17673 3938 1 11 . 1 1 30 30 VAL C C 110 175.510 175.510 174.368 1.142 17673 3939 1 11 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.882 1.798 17673 3940 1 11 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.193 -2.463 17673 3941 1 11 . 1 1 30 30 VAL H H 110 8.541 8.541 8.195 0.346 17673 3942 1 11 . 1 1 31 31 ASN N N 111 123.230 123.230 123.483 -0.253 17673 3943 1 11 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.972 -0.035 17673 3944 1 11 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.871 1.224 17673 3945 1 11 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.819 -1.269 17673 3946 1 11 . 1 1 31 31 ASN H H 111 7.957 7.957 8.749 -0.792 17673 3947 1 11 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.975 0.209 17673 3948 1 11 . 1 1 32 32 LYS C C 112 176.120 176.120 177.228 -1.108 17673 3949 1 11 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.334 -0.024 17673 3950 1 11 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.291 -0.381 17673 3951 1 11 . 1 1 33 33 ASP N N 113 117.410 117.410 116.411 0.999 17673 3952 1 11 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.465 0.067 17673 3953 1 11 . 1 1 33 33 ASP C C 113 177.040 177.040 177.128 -0.088 17673 3954 1 11 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.904 -2.017 17673 3955 1 11 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.116 -1.126 17673 3956 1 11 . 1 1 33 33 ASP H H 113 7.867 7.867 8.085 -0.218 17673 3957 1 11 . 1 1 34 34 GLY N N 114 107.300 107.300 106.022 1.278 17673 3958 1 11 . 1 1 34 34 GLY C C 114 174.640 174.640 173.494 1.146 17673 3959 1 11 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.863 0.927 17673 3960 1 11 . 1 1 34 34 GLY H H 114 7.944 7.944 8.034 -0.090 17673 3961 1 11 . 1 1 35 35 THR N N 115 108.940 108.940 112.062 -3.122 17673 3962 1 11 . 1 1 35 35 THR HA H 115 4.824 4.824 5.401 -0.577 17673 3963 1 11 . 1 1 35 35 THR C C 115 173.650 173.650 172.420 1.230 17673 3964 1 11 . 1 1 35 35 THR CA C 115 60.640 60.640 59.770 0.870 17673 3965 1 11 . 1 1 35 35 THR CB C 115 72.740 72.740 72.126 0.614 17673 3966 1 11 . 1 1 35 35 THR H H 115 7.381 7.381 7.630 -0.249 17673 3967 1 11 . 1 1 36 36 TYR N N 116 116.170 116.170 118.436 -2.266 17673 3968 1 11 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.954 0.221 17673 3969 1 11 . 1 1 36 36 TYR C C 116 175.890 175.890 174.201 1.689 17673 3970 1 11 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.497 -0.487 17673 3971 1 11 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.935 -1.765 17673 3972 1 11 . 1 1 36 36 TYR H H 116 9.058 9.058 9.270 -0.212 17673 3973 1 11 . 1 1 37 37 THR N N 117 120.780 120.780 118.695 2.085 17673 3974 1 11 . 1 1 37 37 THR HA H 117 5.116 5.116 5.422 -0.306 17673 3975 1 11 . 1 1 37 37 THR C C 117 173.990 173.990 173.210 0.780 17673 3976 1 11 . 1 1 37 37 THR CA C 117 63.060 63.060 61.046 2.014 17673 3977 1 11 . 1 1 37 37 THR CB C 117 69.255 69.255 71.144 -1.889 17673 3978 1 11 . 1 1 37 37 THR H H 117 9.035 9.035 8.973 0.062 17673 3979 1 11 . 1 1 38 38 VAL N N 118 120.000 120.000 119.938 0.062 17673 3980 1 11 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.087 0.162 17673 3981 1 11 . 1 1 38 38 VAL C C 118 172.390 172.390 173.109 -0.719 17673 3982 1 11 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.443 -1.703 17673 3983 1 11 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.673 -0.743 17673 3984 1 11 . 1 1 38 38 VAL H H 118 9.183 9.183 8.937 0.246 17673 3985 1 11 . 1 1 39 39 LYS N N 119 121.000 121.000 121.513 -0.513 17673 3986 1 11 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.069 -0.007 17673 3987 1 11 . 1 1 39 39 LYS C C 119 178.050 178.050 175.115 2.935 17673 3988 1 11 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.357 -0.147 17673 3989 1 11 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.685 -0.765 17673 3990 1 11 . 1 1 39 39 LYS H H 119 8.802 8.802 8.661 0.141 17673 3991 1 11 . 1 1 40 40 PHE N N 120 127.480 127.480 125.703 1.777 17673 3992 1 11 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.249 0.497 17673 3993 1 11 . 1 1 40 40 PHE C C 120 178.110 178.110 176.962 1.148 17673 3994 1 11 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.586 2.024 17673 3995 1 11 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.789 2.251 17673 3996 1 11 . 1 1 40 40 PHE H H 120 9.634 9.634 9.041 0.593 17673 3997 1 11 . 1 1 41 41 TYR N N 121 119.600 119.600 122.235 -2.635 17673 3998 1 11 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.251 0.153 17673 3999 1 11 . 1 1 41 41 TYR C C 121 174.890 174.890 176.925 -2.035 17673 4000 1 11 . 1 1 41 41 TYR CA C 121 59.912 59.912 61.050 -1.138 17673 4001 1 11 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.183 -0.743 17673 4002 1 11 . 1 1 41 41 TYR H H 121 8.679 8.679 8.173 0.506 17673 4003 1 11 . 1 1 42 42 ASP N N 122 117.780 117.780 117.588 0.192 17673 4004 1 11 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.513 -0.200 17673 4005 1 11 . 1 1 42 42 ASP C C 122 176.810 176.810 177.493 -0.683 17673 4006 1 11 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.114 -2.444 17673 4007 1 11 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.115 -2.405 17673 4008 1 11 . 1 1 42 42 ASP H H 122 7.128 7.128 8.163 -1.035 17673 4009 1 11 . 1 1 43 43 GLY N N 123 108.200 108.200 106.322 1.878 17673 4010 1 11 . 1 1 43 43 GLY C C 123 173.670 173.670 173.978 -0.308 17673 4011 1 11 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.737 0.513 17673 4012 1 11 . 1 1 43 43 GLY H H 123 8.242 8.242 7.930 0.312 17673 4013 1 11 . 1 1 44 44 VAL N N 124 121.320 121.320 121.836 -0.516 17673 4014 1 11 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.116 -0.273 17673 4015 1 11 . 1 1 44 44 VAL C C 124 174.610 174.610 175.262 -0.652 17673 4016 1 11 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.067 0.903 17673 4017 1 11 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.625 -0.385 17673 4018 1 11 . 1 1 44 44 VAL H H 124 6.877 6.877 7.772 -0.895 17673 4019 1 11 . 1 1 45 45 VAL N N 125 129.030 129.030 125.137 3.893 17673 4020 1 11 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.092 0.177 17673 4021 1 11 . 1 1 45 45 VAL C C 125 176.640 176.640 175.271 1.369 17673 4022 1 11 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.742 0.338 17673 4023 1 11 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.634 -1.214 17673 4024 1 11 . 1 1 45 45 VAL H H 125 8.529 8.529 8.401 0.128 17673 4025 1 11 . 1 1 46 46 GLN N N 126 125.880 125.880 124.971 0.909 17673 4026 1 11 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.924 -0.087 17673 4027 1 11 . 1 1 46 46 GLN C C 126 173.960 173.960 174.069 -0.109 17673 4028 1 11 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.502 0.138 17673 4029 1 11 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.265 2.415 17673 4030 1 11 . 1 1 46 46 GLN H H 126 8.989 8.989 9.011 -0.022 17673 4031 1 11 . 1 1 47 47 THR N N 127 121.970 121.970 119.034 2.936 17673 4032 1 11 . 1 1 47 47 THR HA H 127 5.347 5.347 5.382 -0.035 17673 4033 1 11 . 1 1 47 47 THR C C 127 174.500 174.500 174.196 0.304 17673 4034 1 11 . 1 1 47 47 THR CA C 127 62.730 62.730 61.406 1.324 17673 4035 1 11 . 1 1 47 47 THR CB C 127 69.540 69.540 69.847 -0.308 17673 4036 1 11 . 1 1 47 47 THR H H 127 8.912 8.912 8.542 0.370 17673 4037 1 11 . 1 1 48 48 VAL N N 128 121.810 121.810 120.286 1.524 17673 4038 1 11 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.027 -0.025 17673 4039 1 11 . 1 1 48 48 VAL C C 128 174.840 174.840 174.165 0.675 17673 4040 1 11 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.313 -0.263 17673 4041 1 11 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.410 0.430 17673 4042 1 11 . 1 1 48 48 VAL H H 128 9.513 9.513 9.193 0.320 17673 4043 1 11 . 1 1 49 49 LYS N N 129 121.050 121.050 118.953 2.097 17673 4044 1 11 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.862 -0.426 17673 4045 1 11 . 1 1 49 49 LYS C C 129 178.110 178.110 178.229 -0.119 17673 4046 1 11 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.348 1.762 17673 4047 1 11 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.839 0.331 17673 4048 1 11 . 1 1 49 49 LYS H H 129 9.021 9.021 8.780 0.241 17673 4049 1 11 . 1 1 50 50 HIS N N 130 119.600 119.600 120.888 -1.288 17673 4050 1 11 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.299 0.177 17673 4051 1 11 . 1 1 50 50 HIS C C 130 176.820 176.820 177.526 -0.706 17673 4052 1 11 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.477 0.873 17673 4053 1 11 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.180 0.279 17673 4054 1 11 . 1 1 50 50 HIS H H 130 8.679 8.679 8.764 -0.085 17673 4055 1 11 . 1 1 51 51 ILE N N 131 109.320 109.320 113.098 -3.778 17673 4056 1 11 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.643 0.617 17673 4057 1 11 . 1 1 51 51 ILE C C 131 176.350 176.350 175.673 0.677 17673 4058 1 11 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.677 0.033 17673 4059 1 11 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.900 1.160 17673 4060 1 11 . 1 1 51 51 ILE H H 131 6.790 6.790 8.194 -1.404 17673 4061 1 11 . 1 1 52 52 HIS N N 132 121.710 121.710 115.705 6.005 17673 4062 1 11 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.911 0.061 17673 4063 1 11 . 1 1 52 52 HIS C C 132 172.680 172.680 174.021 -1.341 17673 4064 1 11 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.090 -0.980 17673 4065 1 11 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.486 0.344 17673 4066 1 11 . 1 1 52 52 HIS H H 132 8.064 8.064 7.586 0.478 17673 4067 1 11 . 1 1 53 53 VAL N N 133 118.360 118.360 116.902 1.458 17673 4068 1 11 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.817 0.187 17673 4069 1 11 . 1 1 53 53 VAL C C 133 173.990 173.990 173.863 0.127 17673 4070 1 11 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.285 1.016 17673 4071 1 11 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.569 -0.519 17673 4072 1 11 . 1 1 53 53 VAL H H 133 7.614 7.614 7.325 0.289 17673 4073 1 11 . 1 1 54 54 LYS N N 134 123.720 123.720 120.224 3.496 17673 4074 1 11 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.764 0.056 17673 4075 1 11 . 1 1 54 54 LYS C C 134 173.820 173.820 174.324 -0.504 17673 4076 1 11 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.705 0.515 17673 4077 1 11 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.569 1.061 17673 4078 1 11 . 1 1 54 54 LYS H H 134 9.207 9.207 8.634 0.573 17673 4079 1 11 . 1 1 55 55 ALA N N 135 121.610 121.610 121.155 0.455 17673 4080 1 11 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.791 0.645 17673 4081 1 11 . 1 1 55 55 ALA C C 135 177.670 177.670 176.802 0.868 17673 4082 1 11 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.501 -0.301 17673 4083 1 11 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.733 0.377 17673 4084 1 11 . 1 1 55 55 ALA H H 135 8.560 8.560 8.322 0.238 17673 4085 1 11 . 1 1 56 56 PHE N N 136 120.080 120.080 118.479 1.601 17673 4086 1 11 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.128 0.135 17673 4087 1 11 . 1 1 56 56 PHE C C 136 175.380 175.380 175.798 -0.418 17673 4088 1 11 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.415 -0.555 17673 4089 1 11 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.281 0.869 17673 4090 1 11 . 1 1 56 56 PHE H H 136 8.680 8.680 8.051 0.629 17673 4091 1 11 . 1 1 57 57 SER N N 137 117.820 117.820 113.696 4.124 17673 4092 1 11 . 1 1 57 57 SER HA H 137 4.367 4.367 4.268 0.099 17673 4093 1 11 . 1 1 57 57 SER CA C 137 57.350 57.350 58.534 -1.184 17673 4094 1 11 . 1 1 57 57 SER CB C 137 64.220 64.220 63.062 1.159 17673 4095 1 11 . 1 1 57 57 SER H H 137 7.298 7.298 7.378 -0.080 17673 4096 1 11 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.775 0.403 17673 4097 1 11 . 1 1 58 58 LYS C C 138 176.260 176.260 177.284 -1.024 17673 4098 1 11 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.645 -1.905 17673 4099 1 11 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.509 0.291 17673 4100 1 11 . 1 1 59 59 ASP N N 139 120.500 120.500 118.872 1.628 17673 4101 1 11 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.393 0.132 17673 4102 1 11 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.196 -1.556 17673 4103 1 11 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.295 -0.315 17673 4104 1 11 . 1 1 59 59 ASP H H 139 8.245 8.245 8.233 0.012 17673 4105 1 11 . 1 1 60 60 GLN N N 140 120.290 120.290 115.593 4.697 17673 4106 1 11 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.524 -0.277 17673 4107 1 11 . 1 1 60 60 GLN CA C 140 56.060 56.060 55.020 1.040 17673 4108 1 11 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.519 -3.129 17673 4109 1 11 . 1 1 60 60 GLN H H 140 8.212 8.212 8.219 -0.007 17673 4110 1 11 . 1 1 61 61 ASN N N 141 121.710 121.710 118.675 3.035 17673 4111 1 11 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.737 -0.016 17673 4112 1 11 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.266 -0.187 17673 4113 1 11 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.524 -0.614 17673 4114 1 11 . 1 1 61 61 ASN H H 141 8.064 8.064 8.753 -0.689 17673 4115 1 11 . 1 1 62 62 ILE N N 142 120.890 120.890 120.174 0.716 17673 4116 1 11 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.394 -0.222 17673 4117 1 11 . 1 1 62 62 ILE C C 142 176.330 176.330 174.114 2.216 17673 4118 1 11 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.261 0.089 17673 4119 1 11 . 1 1 62 62 ILE CB C 142 38.575 38.575 37.593 0.982 17673 4120 1 11 . 1 1 62 62 ILE H H 142 8.010 8.010 8.824 -0.814 17673 4121 1 11 . 1 1 63 63 VAL N N 143 123.520 123.520 118.353 5.167 17673 4122 1 11 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.371 -0.263 17673 4123 1 11 . 1 1 63 63 VAL C C 143 176.740 176.740 176.450 0.290 17673 4124 1 11 . 1 1 63 63 VAL CA C 143 62.710 62.710 60.153 2.557 17673 4125 1 11 . 1 1 63 63 VAL CB C 143 32.570 32.570 35.489 -2.919 17673 4126 1 11 . 1 1 63 63 VAL H H 143 8.157 8.157 7.496 0.661 17673 4127 1 11 . 1 1 64 64 GLY N N 144 112.060 112.060 111.667 0.393 17673 4128 1 11 . 1 1 64 64 GLY C C 144 173.940 173.940 174.024 -0.084 17673 4129 1 11 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.226 -0.746 17673 4130 1 11 . 1 1 64 64 GLY H H 144 8.408 8.408 8.635 -0.227 17673 4131 1 11 . 1 1 65 65 ASN N N 145 118.830 118.830 121.160 -2.330 17673 4132 1 11 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.810 -0.094 17673 4133 1 11 . 1 1 65 65 ASN C C 145 175.220 175.220 173.883 1.337 17673 4134 1 11 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.466 0.694 17673 4135 1 11 . 1 1 65 65 ASN CB C 145 39.000 39.000 39.884 -0.884 17673 4136 1 11 . 1 1 65 65 ASN H H 145 8.305 8.305 8.174 0.131 17673 4137 1 11 . 1 1 66 66 ALA N N 146 124.400 124.400 125.338 -0.938 17673 4138 1 11 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.401 -0.061 17673 4139 1 11 . 1 1 66 66 ALA C C 146 177.870 177.870 177.127 0.743 17673 4140 1 11 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.822 0.198 17673 4141 1 11 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.446 -0.356 17673 4142 1 11 . 1 1 66 66 ALA H H 146 8.341 8.341 8.350 -0.009 17673 4143 1 11 . 1 1 284 284 ALA N N 364 124.540 124.540 126.077 -1.537 17673 4144 1 11 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.719 -0.455 17673 4145 1 11 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.122 0.533 17673 4146 1 11 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.068 -1.938 17673 4147 1 11 . 1 1 284 284 ALA H H 364 8.267 8.267 8.679 -0.412 17673 4148 1 11 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.885 -0.061 17673 4149 1 11 . 1 1 285 285 HIS H H 365 8.447 8.447 8.078 0.369 17673 4150 1 11 . 1 1 286 286 SER N N 366 117.450 117.450 112.896 4.554 17673 4151 1 11 . 1 1 286 286 SER HA H 366 4.460 4.460 4.527 -0.067 17673 4152 1 11 . 1 1 286 286 SER CA C 366 58.330 58.330 56.329 2.001 17673 4153 1 11 . 1 1 286 286 SER CB C 366 64.030 64.030 64.451 -0.421 17673 4154 1 11 . 1 1 286 286 SER H H 366 8.287 8.287 7.730 0.557 17673 4155 1 11 . 1 1 287 287 SER N N 367 117.450 117.450 115.922 1.528 17673 4156 1 11 . 1 1 287 287 SER HA H 367 4.460 4.460 4.725 -0.265 17673 4157 1 11 . 1 1 287 287 SER CA C 367 58.330 58.330 58.517 -0.187 17673 4158 1 11 . 1 1 287 287 SER CB C 367 64.030 64.030 64.652 -0.622 17673 4159 1 11 . 1 1 287 287 SER H H 367 8.287 8.287 8.435 -0.148 17673 4160 1 11 . 1 1 292 292 LYS N N 372 123.390 123.390 125.688 -2.298 17673 4161 1 11 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.262 0.086 17673 4162 1 11 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.387 0.253 17673 4163 1 11 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.150 1.000 17673 4164 1 11 . 1 1 292 292 LYS H H 372 8.416 8.416 8.231 0.185 17673 4165 1 11 . 1 1 293 293 LYS N N 373 123.390 123.390 119.754 3.636 17673 4166 1 11 . 1 1 293 293 LYS HA H 373 4.348 4.348 3.910 0.438 17673 4167 1 11 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.330 -0.044 17673 4168 1 11 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.517 0.633 17673 4169 1 11 . 1 1 293 293 LYS H H 373 8.416 8.416 8.144 0.272 17673 4170 1 12 . 1 1 5 5 SER HA H 85 4.436 4.436 4.077 0.359 17673 4171 1 12 . 1 1 5 5 SER C C 85 173.840 173.840 174.751 -0.911 17673 4172 1 12 . 1 1 5 5 SER CA C 85 58.100 58.100 59.456 -1.356 17673 4173 1 12 . 1 1 5 5 SER CB C 85 64.010 64.010 63.096 0.914 17673 4174 1 12 . 1 1 6 6 GLU N N 86 122.440 122.440 116.649 5.791 17673 4175 1 12 . 1 1 6 6 GLU HA H 86 4.051 4.051 3.875 0.176 17673 4176 1 12 . 1 1 6 6 GLU C C 86 175.710 175.710 175.316 0.394 17673 4177 1 12 . 1 1 6 6 GLU CA C 86 57.119 57.119 57.364 -0.244 17673 4178 1 12 . 1 1 6 6 GLU CB C 86 30.746 30.746 28.705 2.041 17673 4179 1 12 . 1 1 6 6 GLU H H 86 8.107 8.107 8.220 -0.113 17673 4180 1 12 . 1 1 7 7 PHE N N 87 118.700 118.700 111.802 6.898 17673 4181 1 12 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.187 0.686 17673 4182 1 12 . 1 1 7 7 PHE C C 87 174.600 174.600 175.021 -0.421 17673 4183 1 12 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.536 -1.411 17673 4184 1 12 . 1 1 7 7 PHE CB C 87 40.769 40.769 35.862 4.907 17673 4185 1 12 . 1 1 7 7 PHE H H 87 7.598 7.598 7.488 0.110 17673 4186 1 12 . 1 1 8 8 GLN N N 88 118.630 118.630 116.835 1.795 17673 4187 1 12 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.520 0.158 17673 4188 1 12 . 1 1 8 8 GLN C C 88 175.670 175.670 176.400 -0.730 17673 4189 1 12 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.657 -1.202 17673 4190 1 12 . 1 1 8 8 GLN CB C 88 31.900 31.900 30.079 1.821 17673 4191 1 12 . 1 1 8 8 GLN H H 88 8.906 8.906 7.859 1.047 17673 4192 1 12 . 1 1 9 9 ILE N N 89 118.880 118.880 120.401 -1.521 17673 4193 1 12 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.603 -0.207 17673 4194 1 12 . 1 1 9 9 ILE C C 89 177.130 177.130 176.438 0.692 17673 4195 1 12 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.823 -0.131 17673 4196 1 12 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.595 -0.165 17673 4197 1 12 . 1 1 9 9 ILE H H 89 8.384 8.384 8.282 0.102 17673 4198 1 12 . 1 1 10 10 ASN N N 90 119.090 119.090 119.115 -0.025 17673 4199 1 12 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.402 -0.158 17673 4200 1 12 . 1 1 10 10 ASN C C 90 173.870 173.870 173.943 -0.073 17673 4201 1 12 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.714 0.976 17673 4202 1 12 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.226 0.174 17673 4203 1 12 . 1 1 10 10 ASN H H 90 9.136 9.136 8.869 0.267 17673 4204 1 12 . 1 1 11 11 GLU N N 91 122.200 122.200 118.021 4.179 17673 4205 1 12 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.722 -0.518 17673 4206 1 12 . 1 1 11 11 GLU C C 91 176.040 176.040 174.981 1.059 17673 4207 1 12 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.365 3.335 17673 4208 1 12 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.523 -1.143 17673 4209 1 12 . 1 1 11 11 GLU H H 91 8.157 8.157 7.787 0.370 17673 4210 1 12 . 1 1 12 12 GLN N N 92 124.360 124.360 119.237 5.123 17673 4211 1 12 . 1 1 12 12 GLN HA H 92 4.834 4.834 4.898 -0.064 17673 4212 1 12 . 1 1 12 12 GLN C C 92 174.920 174.920 175.877 -0.957 17673 4213 1 12 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.652 -1.926 17673 4214 1 12 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.395 -0.403 17673 4215 1 12 . 1 1 12 12 GLN H H 92 8.605 8.605 8.625 -0.020 17673 4216 1 12 . 1 1 13 13 VAL N N 93 118.540 118.540 113.837 4.703 17673 4217 1 12 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.511 0.192 17673 4218 1 12 . 1 1 13 13 VAL C C 93 174.780 174.780 173.858 0.922 17673 4219 1 12 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.350 -0.817 17673 4220 1 12 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.180 0.807 17673 4221 1 12 . 1 1 13 13 VAL H H 93 8.997 8.997 9.022 -0.025 17673 4222 1 12 . 1 1 14 14 LEU N N 94 118.610 118.610 121.663 -3.053 17673 4223 1 12 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.176 -0.174 17673 4224 1 12 . 1 1 14 14 LEU C C 94 175.290 175.290 175.465 -0.175 17673 4225 1 12 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.662 0.196 17673 4226 1 12 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.983 1.675 17673 4227 1 12 . 1 1 14 14 LEU H H 94 8.618 8.618 8.586 0.032 17673 4228 1 12 . 1 1 15 15 ALA N N 95 122.870 122.870 125.996 -3.126 17673 4229 1 12 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.319 0.546 17673 4230 1 12 . 1 1 15 15 ALA C C 95 176.220 176.220 176.569 -0.349 17673 4231 1 12 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.257 -0.307 17673 4232 1 12 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.953 0.187 17673 4233 1 12 . 1 1 15 15 ALA H H 95 9.335 9.335 9.328 0.007 17673 4234 1 12 . 1 1 16 16 SER N N 96 117.200 117.200 120.224 -3.024 17673 4235 1 12 . 1 1 16 16 SER HA H 96 4.520 4.520 4.781 -0.261 17673 4236 1 12 . 1 1 16 16 SER C C 96 174.250 174.250 174.596 -0.346 17673 4237 1 12 . 1 1 16 16 SER CA C 96 57.245 57.245 59.760 -2.515 17673 4238 1 12 . 1 1 16 16 SER CB C 96 63.974 63.974 63.777 0.197 17673 4239 1 12 . 1 1 16 16 SER H H 96 8.513 8.513 8.847 -0.334 17673 4240 1 12 . 1 1 17 17 TRP N N 97 125.340 125.340 130.121 -4.781 17673 4241 1 12 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.487 0.750 17673 4242 1 12 . 1 1 17 17 TRP C C 97 176.630 176.630 177.297 -0.667 17673 4243 1 12 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.585 -1.695 17673 4244 1 12 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.316 0.704 17673 4245 1 12 . 1 1 17 17 TRP H H 97 8.621 8.621 9.026 -0.405 17673 4246 1 12 . 1 1 18 18 SER N N 98 118.120 118.120 117.937 0.183 17673 4247 1 12 . 1 1 18 18 SER HA H 98 3.912 3.912 3.951 -0.039 17673 4248 1 12 . 1 1 18 18 SER C C 98 173.650 173.650 174.732 -1.082 17673 4249 1 12 . 1 1 18 18 SER CA C 98 59.400 59.400 60.776 -1.376 17673 4250 1 12 . 1 1 18 18 SER CB C 98 62.330 62.330 62.610 -0.280 17673 4251 1 12 . 1 1 18 18 SER H H 98 6.530 6.530 7.983 -1.453 17673 4252 1 12 . 1 1 19 19 ASP N N 99 119.980 119.980 119.121 0.859 17673 4253 1 12 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.424 0.016 17673 4254 1 12 . 1 1 19 19 ASP C C 99 176.200 176.200 174.971 1.229 17673 4255 1 12 . 1 1 19 19 ASP CA C 99 53.420 53.420 53.753 -0.333 17673 4256 1 12 . 1 1 19 19 ASP CB C 99 40.190 40.190 40.913 -0.723 17673 4257 1 12 . 1 1 19 19 ASP H H 99 7.834 7.834 7.602 0.232 17673 4258 1 12 . 1 1 20 20 SER N N 100 110.670 110.670 113.187 -2.517 17673 4259 1 12 . 1 1 20 20 SER HA H 100 3.923 3.923 4.104 -0.181 17673 4260 1 12 . 1 1 20 20 SER C C 100 173.090 173.090 173.506 -0.416 17673 4261 1 12 . 1 1 20 20 SER CA C 100 60.410 60.410 58.854 1.556 17673 4262 1 12 . 1 1 20 20 SER CB C 100 62.350 62.350 63.114 -0.764 17673 4263 1 12 . 1 1 20 20 SER H H 100 8.127 8.127 8.098 0.029 17673 4264 1 12 . 1 1 21 21 ARG N N 101 120.850 120.850 117.503 3.347 17673 4265 1 12 . 1 1 21 21 ARG HA H 101 4.471 4.471 3.666 0.805 17673 4266 1 12 . 1 1 21 21 ARG C C 101 174.190 174.190 174.995 -0.805 17673 4267 1 12 . 1 1 21 21 ARG CA C 101 55.010 55.010 57.072 -2.062 17673 4268 1 12 . 1 1 21 21 ARG CB C 101 31.000 31.000 29.633 1.367 17673 4269 1 12 . 1 1 21 21 ARG H H 101 8.097 8.097 8.270 -0.173 17673 4270 1 12 . 1 1 22 22 PHE N N 102 118.370 118.370 118.365 0.005 17673 4271 1 12 . 1 1 22 22 PHE HA H 102 4.833 4.833 5.088 -0.255 17673 4272 1 12 . 1 1 22 22 PHE C C 102 175.840 175.840 176.464 -0.624 17673 4273 1 12 . 1 1 22 22 PHE CA C 102 57.740 57.740 55.880 1.860 17673 4274 1 12 . 1 1 22 22 PHE CB C 102 41.020 41.020 39.251 1.769 17673 4275 1 12 . 1 1 22 22 PHE H H 102 8.400 8.400 7.911 0.489 17673 4276 1 12 . 1 1 23 23 TYR N N 103 119.450 119.450 119.201 0.249 17673 4277 1 12 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.357 -0.217 17673 4278 1 12 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.613 0.097 17673 4279 1 12 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.393 -0.733 17673 4280 1 12 . 1 1 23 23 TYR H H 103 9.263 9.263 9.034 0.229 17673 4281 1 12 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.230 -0.202 17673 4282 1 12 . 1 1 24 24 PRO C C 104 175.500 175.500 175.876 -0.376 17673 4283 1 12 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.795 1.065 17673 4284 1 12 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.569 0.031 17673 4285 1 12 . 1 1 25 25 ALA N N 105 124.530 124.530 122.001 2.529 17673 4286 1 12 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.929 0.869 17673 4287 1 12 . 1 1 25 25 ALA C C 105 174.470 174.470 174.417 0.053 17673 4288 1 12 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.834 0.046 17673 4289 1 12 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.251 1.149 17673 4290 1 12 . 1 1 25 25 ALA H H 105 9.121 9.121 8.854 0.267 17673 4291 1 12 . 1 1 26 26 LYS N N 106 117.940 117.940 120.215 -2.275 17673 4292 1 12 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.957 0.261 17673 4293 1 12 . 1 1 26 26 LYS C C 106 176.420 176.420 175.864 0.556 17673 4294 1 12 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.416 -0.416 17673 4295 1 12 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.217 0.863 17673 4296 1 12 . 1 1 26 26 LYS H H 106 8.064 8.064 8.318 -0.254 17673 4297 1 12 . 1 1 27 27 VAL N N 107 123.950 123.950 126.985 -3.035 17673 4298 1 12 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.074 -0.118 17673 4299 1 12 . 1 1 27 27 VAL C C 107 177.040 177.040 176.735 0.305 17673 4300 1 12 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.013 0.047 17673 4301 1 12 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.608 0.322 17673 4302 1 12 . 1 1 27 27 VAL H H 107 8.264 8.264 8.926 -0.662 17673 4303 1 12 . 1 1 28 28 THR N N 108 121.600 121.600 118.291 3.309 17673 4304 1 12 . 1 1 28 28 THR HA H 108 4.680 4.680 4.547 0.133 17673 4305 1 12 . 1 1 28 28 THR C C 108 175.270 175.270 174.588 0.682 17673 4306 1 12 . 1 1 28 28 THR CA C 108 62.180 62.180 61.355 0.825 17673 4307 1 12 . 1 1 28 28 THR CB C 108 68.940 68.940 70.430 -1.490 17673 4308 1 12 . 1 1 28 28 THR H H 108 9.633 9.633 8.918 0.715 17673 4309 1 12 . 1 1 29 29 ALA N N 109 123.390 123.390 123.900 -0.510 17673 4310 1 12 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.627 -0.188 17673 4311 1 12 . 1 1 29 29 ALA C C 109 174.910 174.910 174.821 0.089 17673 4312 1 12 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.780 1.630 17673 4313 1 12 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.529 0.686 17673 4314 1 12 . 1 1 29 29 ALA H H 109 8.058 8.058 7.673 0.385 17673 4315 1 12 . 1 1 30 30 VAL N N 110 123.310 123.310 118.426 4.884 17673 4316 1 12 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.243 -0.143 17673 4317 1 12 . 1 1 30 30 VAL C C 110 175.510 175.510 174.457 1.053 17673 4318 1 12 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.344 1.336 17673 4319 1 12 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.390 -2.660 17673 4320 1 12 . 1 1 30 30 VAL H H 110 8.541 8.541 8.245 0.296 17673 4321 1 12 . 1 1 31 31 ASN N N 111 123.230 123.230 124.165 -0.935 17673 4322 1 12 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.993 -0.056 17673 4323 1 12 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.927 1.168 17673 4324 1 12 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.673 -1.123 17673 4325 1 12 . 1 1 31 31 ASN H H 111 7.957 7.957 8.762 -0.805 17673 4326 1 12 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.947 0.237 17673 4327 1 12 . 1 1 32 32 LYS C C 112 176.120 176.120 177.210 -1.090 17673 4328 1 12 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.348 -0.038 17673 4329 1 12 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.265 -0.355 17673 4330 1 12 . 1 1 33 33 ASP N N 113 117.410 117.410 116.549 0.861 17673 4331 1 12 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.458 0.074 17673 4332 1 12 . 1 1 33 33 ASP C C 113 177.040 177.040 177.126 -0.086 17673 4333 1 12 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.941 -2.054 17673 4334 1 12 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.119 -1.129 17673 4335 1 12 . 1 1 33 33 ASP H H 113 7.867 7.867 8.094 -0.227 17673 4336 1 12 . 1 1 34 34 GLY N N 114 107.300 107.300 106.104 1.196 17673 4337 1 12 . 1 1 34 34 GLY C C 114 174.640 174.640 173.440 1.200 17673 4338 1 12 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.859 0.931 17673 4339 1 12 . 1 1 34 34 GLY H H 114 7.944 7.944 8.075 -0.131 17673 4340 1 12 . 1 1 35 35 THR N N 115 108.940 108.940 112.136 -3.196 17673 4341 1 12 . 1 1 35 35 THR HA H 115 4.824 4.824 5.371 -0.547 17673 4342 1 12 . 1 1 35 35 THR C C 115 173.650 173.650 172.262 1.388 17673 4343 1 12 . 1 1 35 35 THR CA C 115 60.640 60.640 59.952 0.688 17673 4344 1 12 . 1 1 35 35 THR CB C 115 72.740 72.740 72.288 0.452 17673 4345 1 12 . 1 1 35 35 THR H H 115 7.381 7.381 7.730 -0.349 17673 4346 1 12 . 1 1 36 36 TYR N N 116 116.170 116.170 118.191 -2.021 17673 4347 1 12 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.894 0.281 17673 4348 1 12 . 1 1 36 36 TYR C C 116 175.890 175.890 174.379 1.511 17673 4349 1 12 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.703 -0.693 17673 4350 1 12 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.805 -1.635 17673 4351 1 12 . 1 1 36 36 TYR H H 116 9.058 9.058 9.304 -0.246 17673 4352 1 12 . 1 1 37 37 THR N N 117 120.780 120.780 118.584 2.196 17673 4353 1 12 . 1 1 37 37 THR HA H 117 5.116 5.116 5.378 -0.262 17673 4354 1 12 . 1 1 37 37 THR C C 117 173.990 173.990 173.310 0.680 17673 4355 1 12 . 1 1 37 37 THR CA C 117 63.060 63.060 61.294 1.766 17673 4356 1 12 . 1 1 37 37 THR CB C 117 69.255 69.255 71.182 -1.927 17673 4357 1 12 . 1 1 37 37 THR H H 117 9.035 9.035 8.964 0.071 17673 4358 1 12 . 1 1 38 38 VAL N N 118 120.000 120.000 119.795 0.205 17673 4359 1 12 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.123 0.126 17673 4360 1 12 . 1 1 38 38 VAL C C 118 172.390 172.390 173.125 -0.735 17673 4361 1 12 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.556 -1.816 17673 4362 1 12 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.606 -0.676 17673 4363 1 12 . 1 1 38 38 VAL H H 118 9.183 9.183 9.061 0.122 17673 4364 1 12 . 1 1 39 39 LYS N N 119 121.000 121.000 121.488 -0.488 17673 4365 1 12 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.089 -0.027 17673 4366 1 12 . 1 1 39 39 LYS C C 119 178.050 178.050 174.939 3.111 17673 4367 1 12 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.106 0.104 17673 4368 1 12 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.176 -1.256 17673 4369 1 12 . 1 1 39 39 LYS H H 119 8.802 8.802 8.727 0.075 17673 4370 1 12 . 1 1 40 40 PHE N N 120 127.480 127.480 124.482 2.998 17673 4371 1 12 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.365 0.381 17673 4372 1 12 . 1 1 40 40 PHE C C 120 178.110 178.110 176.755 1.355 17673 4373 1 12 . 1 1 40 40 PHE CA C 120 59.610 59.610 56.978 2.632 17673 4374 1 12 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.282 1.758 17673 4375 1 12 . 1 1 40 40 PHE H H 120 9.634 9.634 9.175 0.459 17673 4376 1 12 . 1 1 41 41 TYR N N 121 119.600 119.600 122.478 -2.878 17673 4377 1 12 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.182 0.222 17673 4378 1 12 . 1 1 41 41 TYR C C 121 174.890 174.890 176.904 -2.014 17673 4379 1 12 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.877 -0.965 17673 4380 1 12 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.935 -0.495 17673 4381 1 12 . 1 1 41 41 TYR H H 121 8.679 8.679 8.210 0.469 17673 4382 1 12 . 1 1 42 42 ASP N N 122 117.780 117.780 117.483 0.297 17673 4383 1 12 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.528 -0.215 17673 4384 1 12 . 1 1 42 42 ASP C C 122 176.810 176.810 177.446 -0.636 17673 4385 1 12 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.056 -2.386 17673 4386 1 12 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.375 -2.665 17673 4387 1 12 . 1 1 42 42 ASP H H 122 7.128 7.128 7.959 -0.831 17673 4388 1 12 . 1 1 43 43 GLY N N 123 108.200 108.200 105.949 2.251 17673 4389 1 12 . 1 1 43 43 GLY C C 123 173.670 173.670 174.227 -0.557 17673 4390 1 12 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.745 0.505 17673 4391 1 12 . 1 1 43 43 GLY H H 123 8.242 8.242 8.099 0.143 17673 4392 1 12 . 1 1 44 44 VAL N N 124 121.320 121.320 122.057 -0.737 17673 4393 1 12 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.080 -0.237 17673 4394 1 12 . 1 1 44 44 VAL C C 124 174.610 174.610 175.207 -0.597 17673 4395 1 12 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.523 0.447 17673 4396 1 12 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.774 -0.534 17673 4397 1 12 . 1 1 44 44 VAL H H 124 6.877 6.877 7.857 -0.980 17673 4398 1 12 . 1 1 45 45 VAL N N 125 129.030 129.030 125.307 3.723 17673 4399 1 12 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.112 0.157 17673 4400 1 12 . 1 1 45 45 VAL C C 125 176.640 176.640 175.083 1.557 17673 4401 1 12 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.855 0.225 17673 4402 1 12 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.132 -1.712 17673 4403 1 12 . 1 1 45 45 VAL H H 125 8.529 8.529 8.409 0.120 17673 4404 1 12 . 1 1 46 46 GLN N N 126 125.880 125.880 124.486 1.394 17673 4405 1 12 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.894 -0.057 17673 4406 1 12 . 1 1 46 46 GLN C C 126 173.960 173.960 174.024 -0.064 17673 4407 1 12 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.351 0.289 17673 4408 1 12 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.486 2.194 17673 4409 1 12 . 1 1 46 46 GLN H H 126 8.989 8.989 9.086 -0.097 17673 4410 1 12 . 1 1 47 47 THR N N 127 121.970 121.970 119.171 2.799 17673 4411 1 12 . 1 1 47 47 THR HA H 127 5.347 5.347 5.361 -0.014 17673 4412 1 12 . 1 1 47 47 THR C C 127 174.500 174.500 173.980 0.520 17673 4413 1 12 . 1 1 47 47 THR CA C 127 62.730 62.730 61.263 1.467 17673 4414 1 12 . 1 1 47 47 THR CB C 127 69.540 69.540 69.973 -0.433 17673 4415 1 12 . 1 1 47 47 THR H H 127 8.912 8.912 8.503 0.409 17673 4416 1 12 . 1 1 48 48 VAL N N 128 121.810 121.810 121.153 0.657 17673 4417 1 12 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.048 -0.046 17673 4418 1 12 . 1 1 48 48 VAL C C 128 174.840 174.840 174.140 0.700 17673 4419 1 12 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.563 -0.513 17673 4420 1 12 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.071 0.769 17673 4421 1 12 . 1 1 48 48 VAL H H 128 9.513 9.513 9.196 0.317 17673 4422 1 12 . 1 1 49 49 LYS N N 129 121.050 121.050 119.348 1.702 17673 4423 1 12 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.923 -0.487 17673 4424 1 12 . 1 1 49 49 LYS C C 129 178.110 178.110 178.412 -0.302 17673 4425 1 12 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.020 2.090 17673 4426 1 12 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.957 0.213 17673 4427 1 12 . 1 1 49 49 LYS H H 129 9.021 9.021 8.847 0.174 17673 4428 1 12 . 1 1 50 50 HIS N N 130 119.600 119.600 120.969 -1.369 17673 4429 1 12 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.405 0.071 17673 4430 1 12 . 1 1 50 50 HIS C C 130 176.820 176.820 177.543 -0.723 17673 4431 1 12 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.676 0.674 17673 4432 1 12 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.192 0.268 17673 4433 1 12 . 1 1 50 50 HIS H H 130 8.679 8.679 8.667 0.012 17673 4434 1 12 . 1 1 51 51 ILE N N 131 109.320 109.320 113.127 -3.807 17673 4435 1 12 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.643 0.617 17673 4436 1 12 . 1 1 51 51 ILE C C 131 176.350 176.350 175.736 0.614 17673 4437 1 12 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.792 -0.082 17673 4438 1 12 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.920 1.139 17673 4439 1 12 . 1 1 51 51 ILE H H 131 6.790 6.790 8.227 -1.437 17673 4440 1 12 . 1 1 52 52 HIS N N 132 121.710 121.710 115.695 6.015 17673 4441 1 12 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.910 0.062 17673 4442 1 12 . 1 1 52 52 HIS C C 132 172.680 172.680 174.063 -1.383 17673 4443 1 12 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.214 -1.104 17673 4444 1 12 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.370 0.460 17673 4445 1 12 . 1 1 52 52 HIS H H 132 8.064 8.064 7.565 0.499 17673 4446 1 12 . 1 1 53 53 VAL N N 133 118.360 118.360 116.788 1.572 17673 4447 1 12 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.810 0.194 17673 4448 1 12 . 1 1 53 53 VAL C C 133 173.990 173.990 174.015 -0.025 17673 4449 1 12 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.045 1.255 17673 4450 1 12 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.539 -0.489 17673 4451 1 12 . 1 1 53 53 VAL H H 133 7.614 7.614 7.395 0.219 17673 4452 1 12 . 1 1 54 54 LYS N N 134 123.720 123.720 120.524 3.196 17673 4453 1 12 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.696 0.124 17673 4454 1 12 . 1 1 54 54 LYS C C 134 173.820 173.820 174.437 -0.617 17673 4455 1 12 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.578 0.642 17673 4456 1 12 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.675 0.955 17673 4457 1 12 . 1 1 54 54 LYS H H 134 9.207 9.207 8.664 0.543 17673 4458 1 12 . 1 1 55 55 ALA N N 135 121.610 121.610 121.045 0.565 17673 4459 1 12 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.915 0.521 17673 4460 1 12 . 1 1 55 55 ALA C C 135 177.670 177.670 177.034 0.636 17673 4461 1 12 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.380 -0.180 17673 4462 1 12 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.818 0.292 17673 4463 1 12 . 1 1 55 55 ALA H H 135 8.560 8.560 8.379 0.181 17673 4464 1 12 . 1 1 56 56 PHE N N 136 120.080 120.080 119.446 0.634 17673 4465 1 12 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.120 0.143 17673 4466 1 12 . 1 1 56 56 PHE C C 136 175.380 175.380 175.798 -0.418 17673 4467 1 12 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.131 -0.271 17673 4468 1 12 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.330 0.820 17673 4469 1 12 . 1 1 56 56 PHE H H 136 8.680 8.680 7.838 0.842 17673 4470 1 12 . 1 1 57 57 SER N N 137 117.820 117.820 113.382 4.438 17673 4471 1 12 . 1 1 57 57 SER HA H 137 4.367 4.367 4.257 0.110 17673 4472 1 12 . 1 1 57 57 SER CA C 137 57.350 57.350 58.644 -1.294 17673 4473 1 12 . 1 1 57 57 SER CB C 137 64.220 64.220 63.371 0.849 17673 4474 1 12 . 1 1 57 57 SER H H 137 7.298 7.298 7.120 0.178 17673 4475 1 12 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.763 0.415 17673 4476 1 12 . 1 1 58 58 LYS C C 138 176.260 176.260 177.790 -1.530 17673 4477 1 12 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.310 -2.570 17673 4478 1 12 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.712 0.088 17673 4479 1 12 . 1 1 59 59 ASP N N 139 120.500 120.500 116.809 3.691 17673 4480 1 12 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.402 0.123 17673 4481 1 12 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.765 -1.125 17673 4482 1 12 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.266 -0.286 17673 4483 1 12 . 1 1 59 59 ASP H H 139 8.245 8.245 8.496 -0.251 17673 4484 1 12 . 1 1 60 60 GLN N N 140 120.290 120.290 114.606 5.684 17673 4485 1 12 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.526 -0.279 17673 4486 1 12 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.626 1.434 17673 4487 1 12 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.462 -3.072 17673 4488 1 12 . 1 1 60 60 GLN H H 140 8.212 8.212 8.203 0.009 17673 4489 1 12 . 1 1 61 61 ASN N N 141 121.710 121.710 118.858 2.852 17673 4490 1 12 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.772 -0.051 17673 4491 1 12 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.864 -0.785 17673 4492 1 12 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.515 -0.605 17673 4493 1 12 . 1 1 61 61 ASN H H 141 8.064 8.064 8.697 -0.633 17673 4494 1 12 . 1 1 62 62 ILE N N 142 120.890 120.890 120.419 0.471 17673 4495 1 12 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.585 -0.413 17673 4496 1 12 . 1 1 62 62 ILE C C 142 176.330 176.330 175.186 1.144 17673 4497 1 12 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.707 -0.357 17673 4498 1 12 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.413 0.162 17673 4499 1 12 . 1 1 62 62 ILE H H 142 8.010 8.010 8.898 -0.888 17673 4500 1 12 . 1 1 63 63 VAL N N 143 123.520 123.520 120.454 3.066 17673 4501 1 12 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.286 -0.178 17673 4502 1 12 . 1 1 63 63 VAL C C 143 176.740 176.740 176.365 0.375 17673 4503 1 12 . 1 1 63 63 VAL CA C 143 62.710 62.710 62.515 0.195 17673 4504 1 12 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.090 -1.520 17673 4505 1 12 . 1 1 63 63 VAL H H 143 8.157 8.157 8.806 -0.649 17673 4506 1 12 . 1 1 64 64 GLY N N 144 112.060 112.060 109.184 2.876 17673 4507 1 12 . 1 1 64 64 GLY C C 144 173.940 173.940 174.306 -0.366 17673 4508 1 12 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.370 -0.890 17673 4509 1 12 . 1 1 64 64 GLY H H 144 8.408 8.408 8.621 -0.213 17673 4510 1 12 . 1 1 65 65 ASN N N 145 118.830 118.830 115.823 3.007 17673 4511 1 12 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.718 -0.002 17673 4512 1 12 . 1 1 65 65 ASN C C 145 175.220 175.220 172.960 2.260 17673 4513 1 12 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.393 0.767 17673 4514 1 12 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.275 -2.275 17673 4515 1 12 . 1 1 65 65 ASN H H 145 8.305 8.305 7.857 0.448 17673 4516 1 12 . 1 1 66 66 ALA N N 146 124.400 124.400 123.031 1.369 17673 4517 1 12 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.551 -0.211 17673 4518 1 12 . 1 1 66 66 ALA C C 146 177.870 177.870 176.656 1.214 17673 4519 1 12 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.337 1.683 17673 4520 1 12 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.008 0.082 17673 4521 1 12 . 1 1 66 66 ALA H H 146 8.341 8.341 8.626 -0.285 17673 4522 1 12 . 1 1 284 284 ALA N N 364 124.540 124.540 128.070 -3.530 17673 4523 1 12 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.810 -0.546 17673 4524 1 12 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.920 0.734 17673 4525 1 12 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.561 -2.431 17673 4526 1 12 . 1 1 284 284 ALA H H 364 8.267 8.267 8.639 -0.372 17673 4527 1 12 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.947 -0.123 17673 4528 1 12 . 1 1 285 285 HIS H H 365 8.447 8.447 8.030 0.417 17673 4529 1 12 . 1 1 286 286 SER N N 366 117.450 117.450 114.242 3.208 17673 4530 1 12 . 1 1 286 286 SER HA H 366 4.460 4.460 4.567 -0.107 17673 4531 1 12 . 1 1 286 286 SER CA C 366 58.330 58.330 57.135 1.195 17673 4532 1 12 . 1 1 286 286 SER CB C 366 64.030 64.030 65.885 -1.855 17673 4533 1 12 . 1 1 286 286 SER H H 366 8.287 8.287 7.736 0.551 17673 4534 1 12 . 1 1 287 287 SER N N 367 117.450 117.450 115.346 2.104 17673 4535 1 12 . 1 1 287 287 SER HA H 367 4.460 4.460 4.597 -0.137 17673 4536 1 12 . 1 1 287 287 SER CA C 367 58.330 58.330 58.771 -0.441 17673 4537 1 12 . 1 1 287 287 SER CB C 367 64.030 64.030 63.449 0.581 17673 4538 1 12 . 1 1 287 287 SER H H 367 8.287 8.287 8.146 0.141 17673 4539 1 12 . 1 1 292 292 LYS N N 372 123.390 123.390 123.258 0.132 17673 4540 1 12 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.194 0.154 17673 4541 1 12 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.664 -1.024 17673 4542 1 12 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.344 0.806 17673 4543 1 12 . 1 1 292 292 LYS H H 372 8.416 8.416 8.305 0.111 17673 4544 1 12 . 1 1 293 293 LYS N N 373 123.390 123.390 118.616 4.774 17673 4545 1 12 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.170 0.178 17673 4546 1 12 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.019 0.267 17673 4547 1 12 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.381 0.769 17673 4548 1 12 . 1 1 293 293 LYS H H 373 8.416 8.416 8.139 0.277 17673 4549 1 13 . 1 1 5 5 SER HA H 85 4.436 4.436 4.311 0.125 17673 4550 1 13 . 1 1 5 5 SER C C 85 173.840 173.840 172.423 1.417 17673 4551 1 13 . 1 1 5 5 SER CA C 85 58.100 58.100 57.981 0.119 17673 4552 1 13 . 1 1 5 5 SER CB C 85 64.010 64.010 64.037 -0.027 17673 4553 1 13 . 1 1 6 6 GLU N N 86 122.440 122.440 121.320 1.120 17673 4554 1 13 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.218 -0.167 17673 4555 1 13 . 1 1 6 6 GLU C C 86 175.710 175.710 174.379 1.331 17673 4556 1 13 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.332 1.787 17673 4557 1 13 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.458 -0.712 17673 4558 1 13 . 1 1 6 6 GLU H H 86 8.107 8.107 7.584 0.523 17673 4559 1 13 . 1 1 7 7 PHE N N 87 118.700 118.700 122.508 -3.808 17673 4560 1 13 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.827 0.046 17673 4561 1 13 . 1 1 7 7 PHE C C 87 174.600 174.600 175.480 -0.880 17673 4562 1 13 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.535 -0.410 17673 4563 1 13 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.413 0.357 17673 4564 1 13 . 1 1 7 7 PHE H H 87 7.598 7.598 8.467 -0.869 17673 4565 1 13 . 1 1 8 8 GLN N N 88 118.630 118.630 120.977 -2.347 17673 4566 1 13 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.658 0.020 17673 4567 1 13 . 1 1 8 8 GLN C C 88 175.670 175.670 174.797 0.873 17673 4568 1 13 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.819 -0.364 17673 4569 1 13 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.993 -0.093 17673 4570 1 13 . 1 1 8 8 GLN H H 88 8.906 8.906 8.518 0.388 17673 4571 1 13 . 1 1 9 9 ILE N N 89 118.880 118.880 121.046 -2.166 17673 4572 1 13 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.619 -0.223 17673 4573 1 13 . 1 1 9 9 ILE C C 89 177.130 177.130 176.326 0.804 17673 4574 1 13 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.919 -0.227 17673 4575 1 13 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.429 0.001 17673 4576 1 13 . 1 1 9 9 ILE H H 89 8.384 8.384 8.401 -0.017 17673 4577 1 13 . 1 1 10 10 ASN N N 90 119.090 119.090 119.039 0.051 17673 4578 1 13 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.395 -0.151 17673 4579 1 13 . 1 1 10 10 ASN C C 90 173.870 173.870 173.939 -0.069 17673 4580 1 13 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.743 0.947 17673 4581 1 13 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.213 0.187 17673 4582 1 13 . 1 1 10 10 ASN H H 90 9.136 9.136 8.929 0.207 17673 4583 1 13 . 1 1 11 11 GLU N N 91 122.200 122.200 118.442 3.758 17673 4584 1 13 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.698 -0.494 17673 4585 1 13 . 1 1 11 11 GLU C C 91 176.040 176.040 174.976 1.064 17673 4586 1 13 . 1 1 11 11 GLU CA C 91 57.700 57.700 53.870 3.830 17673 4587 1 13 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.979 -1.599 17673 4588 1 13 . 1 1 11 11 GLU H H 91 8.157 8.157 7.758 0.399 17673 4589 1 13 . 1 1 12 12 GLN N N 92 124.360 124.360 120.848 3.512 17673 4590 1 13 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.008 -0.174 17673 4591 1 13 . 1 1 12 12 GLN C C 92 174.920 174.920 176.092 -1.172 17673 4592 1 13 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.413 -1.687 17673 4593 1 13 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.675 -0.683 17673 4594 1 13 . 1 1 12 12 GLN H H 92 8.605 8.605 8.786 -0.181 17673 4595 1 13 . 1 1 13 13 VAL N N 93 118.540 118.540 113.891 4.649 17673 4596 1 13 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.396 0.307 17673 4597 1 13 . 1 1 13 13 VAL C C 93 174.780 174.780 173.862 0.918 17673 4598 1 13 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.522 0.011 17673 4599 1 13 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.432 0.555 17673 4600 1 13 . 1 1 13 13 VAL H H 93 8.997 8.997 9.019 -0.022 17673 4601 1 13 . 1 1 14 14 LEU N N 94 118.610 118.610 120.439 -1.829 17673 4602 1 13 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.253 -0.251 17673 4603 1 13 . 1 1 14 14 LEU C C 94 175.290 175.290 175.292 -0.002 17673 4604 1 13 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.534 0.324 17673 4605 1 13 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.884 0.774 17673 4606 1 13 . 1 1 14 14 LEU H H 94 8.618 8.618 8.649 -0.031 17673 4607 1 13 . 1 1 15 15 ALA N N 95 122.870 122.870 126.458 -3.588 17673 4608 1 13 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.603 0.262 17673 4609 1 13 . 1 1 15 15 ALA C C 95 176.220 176.220 176.768 -0.548 17673 4610 1 13 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.255 -0.305 17673 4611 1 13 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.772 0.368 17673 4612 1 13 . 1 1 15 15 ALA H H 95 9.335 9.335 9.456 -0.121 17673 4613 1 13 . 1 1 16 16 SER N N 96 117.200 117.200 118.923 -1.723 17673 4614 1 13 . 1 1 16 16 SER HA H 96 4.520 4.520 4.529 -0.009 17673 4615 1 13 . 1 1 16 16 SER C C 96 174.250 174.250 173.885 0.365 17673 4616 1 13 . 1 1 16 16 SER CA C 96 57.245 57.245 59.120 -1.875 17673 4617 1 13 . 1 1 16 16 SER CB C 96 63.974 63.974 63.874 0.099 17673 4618 1 13 . 1 1 16 16 SER H H 96 8.513 8.513 8.958 -0.445 17673 4619 1 13 . 1 1 17 17 TRP N N 97 125.340 125.340 128.688 -3.348 17673 4620 1 13 . 1 1 17 17 TRP HA H 97 5.237 5.237 5.113 0.124 17673 4621 1 13 . 1 1 17 17 TRP C C 97 176.630 176.630 176.876 -0.246 17673 4622 1 13 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.338 -1.448 17673 4623 1 13 . 1 1 17 17 TRP CB C 97 31.020 31.020 31.768 -0.748 17673 4624 1 13 . 1 1 17 17 TRP H H 97 8.621 8.621 8.840 -0.219 17673 4625 1 13 . 1 1 18 18 SER N N 98 118.120 118.120 118.605 -0.485 17673 4626 1 13 . 1 1 18 18 SER HA H 98 3.912 3.912 3.939 -0.027 17673 4627 1 13 . 1 1 18 18 SER C C 98 173.650 173.650 175.373 -1.723 17673 4628 1 13 . 1 1 18 18 SER CA C 98 59.400 59.400 60.556 -1.157 17673 4629 1 13 . 1 1 18 18 SER CB C 98 62.330 62.330 62.924 -0.594 17673 4630 1 13 . 1 1 18 18 SER H H 98 6.530 6.530 8.376 -1.846 17673 4631 1 13 . 1 1 19 19 ASP N N 99 119.980 119.980 118.540 1.440 17673 4632 1 13 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.210 0.230 17673 4633 1 13 . 1 1 19 19 ASP C C 99 176.200 176.200 176.667 -0.467 17673 4634 1 13 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.964 -2.544 17673 4635 1 13 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.352 -1.162 17673 4636 1 13 . 1 1 19 19 ASP H H 99 7.834 7.834 7.512 0.322 17673 4637 1 13 . 1 1 20 20 SER N N 100 110.670 110.670 109.637 1.033 17673 4638 1 13 . 1 1 20 20 SER HA H 100 3.923 3.923 4.468 -0.545 17673 4639 1 13 . 1 1 20 20 SER C C 100 173.090 173.090 173.847 -0.757 17673 4640 1 13 . 1 1 20 20 SER CA C 100 60.410 60.410 58.933 1.477 17673 4641 1 13 . 1 1 20 20 SER CB C 100 62.350 62.350 64.572 -2.222 17673 4642 1 13 . 1 1 20 20 SER H H 100 8.127 8.127 8.376 -0.249 17673 4643 1 13 . 1 1 21 21 ARG N N 101 120.850 120.850 120.848 0.002 17673 4644 1 13 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.454 0.017 17673 4645 1 13 . 1 1 21 21 ARG C C 101 174.190 174.190 174.797 -0.607 17673 4646 1 13 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.620 0.390 17673 4647 1 13 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.703 0.297 17673 4648 1 13 . 1 1 21 21 ARG H H 101 8.097 8.097 8.084 0.013 17673 4649 1 13 . 1 1 22 22 PHE N N 102 118.370 118.370 119.481 -1.111 17673 4650 1 13 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.539 0.294 17673 4651 1 13 . 1 1 22 22 PHE C C 102 175.840 175.840 175.887 -0.047 17673 4652 1 13 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.740 -2.000 17673 4653 1 13 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.975 2.045 17673 4654 1 13 . 1 1 22 22 PHE H H 102 8.400 8.400 7.914 0.486 17673 4655 1 13 . 1 1 23 23 TYR N N 103 119.450 119.450 121.204 -1.754 17673 4656 1 13 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.078 0.062 17673 4657 1 13 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.807 -0.097 17673 4658 1 13 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.154 -0.494 17673 4659 1 13 . 1 1 23 23 TYR H H 103 9.263 9.263 9.044 0.219 17673 4660 1 13 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.243 -0.215 17673 4661 1 13 . 1 1 24 24 PRO C C 104 175.500 175.500 175.917 -0.417 17673 4662 1 13 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.751 1.109 17673 4663 1 13 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.551 0.049 17673 4664 1 13 . 1 1 25 25 ALA N N 105 124.530 124.530 122.044 2.486 17673 4665 1 13 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.042 0.756 17673 4666 1 13 . 1 1 25 25 ALA C C 105 174.470 174.470 174.580 -0.110 17673 4667 1 13 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.818 0.062 17673 4668 1 13 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.526 0.874 17673 4669 1 13 . 1 1 25 25 ALA H H 105 9.121 9.121 8.801 0.320 17673 4670 1 13 . 1 1 26 26 LYS N N 106 117.940 117.940 120.507 -2.567 17673 4671 1 13 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.912 0.305 17673 4672 1 13 . 1 1 26 26 LYS C C 106 176.420 176.420 176.051 0.369 17673 4673 1 13 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.522 -0.522 17673 4674 1 13 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.962 1.118 17673 4675 1 13 . 1 1 26 26 LYS H H 106 8.064 8.064 8.465 -0.401 17673 4676 1 13 . 1 1 27 27 VAL N N 107 123.950 123.950 127.904 -3.954 17673 4677 1 13 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.157 -0.201 17673 4678 1 13 . 1 1 27 27 VAL C C 107 177.040 177.040 176.971 0.069 17673 4679 1 13 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.543 0.517 17673 4680 1 13 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.305 0.625 17673 4681 1 13 . 1 1 27 27 VAL H H 107 8.264 8.264 8.953 -0.689 17673 4682 1 13 . 1 1 28 28 THR N N 108 121.600 121.600 117.745 3.855 17673 4683 1 13 . 1 1 28 28 THR HA H 108 4.680 4.680 4.476 0.204 17673 4684 1 13 . 1 1 28 28 THR C C 108 175.270 175.270 174.429 0.841 17673 4685 1 13 . 1 1 28 28 THR CA C 108 62.180 62.180 61.524 0.656 17673 4686 1 13 . 1 1 28 28 THR CB C 108 68.940 68.940 70.597 -1.657 17673 4687 1 13 . 1 1 28 28 THR H H 108 9.633 9.633 8.918 0.715 17673 4688 1 13 . 1 1 29 29 ALA N N 109 123.390 123.390 123.821 -0.431 17673 4689 1 13 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.609 -0.170 17673 4690 1 13 . 1 1 29 29 ALA C C 109 174.910 174.910 174.778 0.132 17673 4691 1 13 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.953 1.457 17673 4692 1 13 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.410 0.805 17673 4693 1 13 . 1 1 29 29 ALA H H 109 8.058 8.058 7.693 0.365 17673 4694 1 13 . 1 1 30 30 VAL N N 110 123.310 123.310 118.395 4.915 17673 4695 1 13 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.099 0.001 17673 4696 1 13 . 1 1 30 30 VAL C C 110 175.510 175.510 174.487 1.023 17673 4697 1 13 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.365 1.315 17673 4698 1 13 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.331 -2.601 17673 4699 1 13 . 1 1 30 30 VAL H H 110 8.541 8.541 8.245 0.296 17673 4700 1 13 . 1 1 31 31 ASN N N 111 123.230 123.230 124.472 -1.242 17673 4701 1 13 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.965 -0.028 17673 4702 1 13 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.087 1.008 17673 4703 1 13 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.395 -0.846 17673 4704 1 13 . 1 1 31 31 ASN H H 111 7.957 7.957 8.686 -0.729 17673 4705 1 13 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.901 0.283 17673 4706 1 13 . 1 1 32 32 LYS C C 112 176.120 176.120 177.207 -1.087 17673 4707 1 13 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.108 0.202 17673 4708 1 13 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.350 -0.440 17673 4709 1 13 . 1 1 33 33 ASP N N 113 117.410 117.410 116.757 0.653 17673 4710 1 13 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.441 0.091 17673 4711 1 13 . 1 1 33 33 ASP C C 113 177.040 177.040 177.162 -0.122 17673 4712 1 13 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.127 -2.240 17673 4713 1 13 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.063 -1.073 17673 4714 1 13 . 1 1 33 33 ASP H H 113 7.867 7.867 8.083 -0.216 17673 4715 1 13 . 1 1 34 34 GLY N N 114 107.300 107.300 105.773 1.527 17673 4716 1 13 . 1 1 34 34 GLY C C 114 174.640 174.640 173.420 1.220 17673 4717 1 13 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.917 0.873 17673 4718 1 13 . 1 1 34 34 GLY H H 114 7.944 7.944 8.111 -0.167 17673 4719 1 13 . 1 1 35 35 THR N N 115 108.940 108.940 112.300 -3.360 17673 4720 1 13 . 1 1 35 35 THR HA H 115 4.824 4.824 5.373 -0.549 17673 4721 1 13 . 1 1 35 35 THR C C 115 173.650 173.650 172.138 1.512 17673 4722 1 13 . 1 1 35 35 THR CA C 115 60.640 60.640 60.067 0.573 17673 4723 1 13 . 1 1 35 35 THR CB C 115 72.740 72.740 72.310 0.430 17673 4724 1 13 . 1 1 35 35 THR H H 115 7.381 7.381 7.930 -0.549 17673 4725 1 13 . 1 1 36 36 TYR N N 116 116.170 116.170 118.051 -1.881 17673 4726 1 13 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.867 0.308 17673 4727 1 13 . 1 1 36 36 TYR C C 116 175.890 175.890 174.249 1.641 17673 4728 1 13 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.795 -0.785 17673 4729 1 13 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.796 -1.626 17673 4730 1 13 . 1 1 36 36 TYR H H 116 9.058 9.058 9.428 -0.370 17673 4731 1 13 . 1 1 37 37 THR N N 117 120.780 120.780 118.484 2.296 17673 4732 1 13 . 1 1 37 37 THR HA H 117 5.116 5.116 5.365 -0.249 17673 4733 1 13 . 1 1 37 37 THR C C 117 173.990 173.990 173.358 0.632 17673 4734 1 13 . 1 1 37 37 THR CA C 117 63.060 63.060 61.275 1.785 17673 4735 1 13 . 1 1 37 37 THR CB C 117 69.255 69.255 70.735 -1.480 17673 4736 1 13 . 1 1 37 37 THR H H 117 9.035 9.035 8.973 0.062 17673 4737 1 13 . 1 1 38 38 VAL N N 118 120.000 120.000 119.939 0.061 17673 4738 1 13 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.084 0.165 17673 4739 1 13 . 1 1 38 38 VAL C C 118 172.390 172.390 173.191 -0.801 17673 4740 1 13 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.644 -1.903 17673 4741 1 13 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.914 -0.984 17673 4742 1 13 . 1 1 38 38 VAL H H 118 9.183 9.183 9.021 0.162 17673 4743 1 13 . 1 1 39 39 LYS N N 119 121.000 121.000 121.893 -0.893 17673 4744 1 13 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.045 0.017 17673 4745 1 13 . 1 1 39 39 LYS C C 119 178.050 178.050 175.073 2.977 17673 4746 1 13 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.215 -0.005 17673 4747 1 13 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.764 -0.844 17673 4748 1 13 . 1 1 39 39 LYS H H 119 8.802 8.802 8.735 0.067 17673 4749 1 13 . 1 1 40 40 PHE N N 120 127.480 127.480 125.204 2.276 17673 4750 1 13 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.293 0.453 17673 4751 1 13 . 1 1 40 40 PHE C C 120 178.110 178.110 176.927 1.183 17673 4752 1 13 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.258 2.352 17673 4753 1 13 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.942 2.098 17673 4754 1 13 . 1 1 40 40 PHE H H 120 9.634 9.634 9.043 0.591 17673 4755 1 13 . 1 1 41 41 TYR N N 121 119.600 119.600 122.206 -2.606 17673 4756 1 13 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.233 0.171 17673 4757 1 13 . 1 1 41 41 TYR C C 121 174.890 174.890 176.846 -1.956 17673 4758 1 13 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.680 -0.768 17673 4759 1 13 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.005 -0.565 17673 4760 1 13 . 1 1 41 41 TYR H H 121 8.679 8.679 8.223 0.456 17673 4761 1 13 . 1 1 42 42 ASP N N 122 117.780 117.780 117.551 0.229 17673 4762 1 13 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.498 -0.185 17673 4763 1 13 . 1 1 42 42 ASP C C 122 176.810 176.810 177.399 -0.589 17673 4764 1 13 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.989 -2.319 17673 4765 1 13 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.250 -2.540 17673 4766 1 13 . 1 1 42 42 ASP H H 122 7.128 7.128 7.942 -0.814 17673 4767 1 13 . 1 1 43 43 GLY N N 123 108.200 108.200 106.288 1.912 17673 4768 1 13 . 1 1 43 43 GLY C C 123 173.670 173.670 174.233 -0.563 17673 4769 1 13 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.724 0.526 17673 4770 1 13 . 1 1 43 43 GLY H H 123 8.242 8.242 7.852 0.390 17673 4771 1 13 . 1 1 44 44 VAL N N 124 121.320 121.320 121.449 -0.129 17673 4772 1 13 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.101 -0.258 17673 4773 1 13 . 1 1 44 44 VAL C C 124 174.610 174.610 175.265 -0.655 17673 4774 1 13 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.994 0.976 17673 4775 1 13 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.645 -0.405 17673 4776 1 13 . 1 1 44 44 VAL H H 124 6.877 6.877 7.736 -0.859 17673 4777 1 13 . 1 1 45 45 VAL N N 125 129.030 129.030 124.104 4.926 17673 4778 1 13 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.056 0.213 17673 4779 1 13 . 1 1 45 45 VAL C C 125 176.640 176.640 175.184 1.456 17673 4780 1 13 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.711 0.369 17673 4781 1 13 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.590 -1.170 17673 4782 1 13 . 1 1 45 45 VAL H H 125 8.529 8.529 8.377 0.152 17673 4783 1 13 . 1 1 46 46 GLN N N 126 125.880 125.880 124.718 1.162 17673 4784 1 13 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.928 -0.091 17673 4785 1 13 . 1 1 46 46 GLN C C 126 173.960 173.960 174.095 -0.135 17673 4786 1 13 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.440 0.200 17673 4787 1 13 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.279 2.401 17673 4788 1 13 . 1 1 46 46 GLN H H 126 8.989 8.989 9.098 -0.109 17673 4789 1 13 . 1 1 47 47 THR N N 127 121.970 121.970 119.518 2.452 17673 4790 1 13 . 1 1 47 47 THR HA H 127 5.347 5.347 5.340 0.007 17673 4791 1 13 . 1 1 47 47 THR C C 127 174.500 174.500 173.991 0.509 17673 4792 1 13 . 1 1 47 47 THR CA C 127 62.730 62.730 61.268 1.462 17673 4793 1 13 . 1 1 47 47 THR CB C 127 69.540 69.540 69.918 -0.378 17673 4794 1 13 . 1 1 47 47 THR H H 127 8.912 8.912 8.511 0.401 17673 4795 1 13 . 1 1 48 48 VAL N N 128 121.810 121.810 121.364 0.446 17673 4796 1 13 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.043 -0.041 17673 4797 1 13 . 1 1 48 48 VAL C C 128 174.840 174.840 174.106 0.734 17673 4798 1 13 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.596 -0.546 17673 4799 1 13 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.137 0.703 17673 4800 1 13 . 1 1 48 48 VAL H H 128 9.513 9.513 9.311 0.202 17673 4801 1 13 . 1 1 49 49 LYS N N 129 121.050 121.050 119.386 1.664 17673 4802 1 13 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.919 -0.483 17673 4803 1 13 . 1 1 49 49 LYS C C 129 178.110 178.110 178.388 -0.278 17673 4804 1 13 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.926 2.183 17673 4805 1 13 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.025 0.145 17673 4806 1 13 . 1 1 49 49 LYS H H 129 9.021 9.021 8.843 0.178 17673 4807 1 13 . 1 1 50 50 HIS N N 130 119.600 119.600 120.839 -1.239 17673 4808 1 13 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.419 0.057 17673 4809 1 13 . 1 1 50 50 HIS C C 130 176.820 176.820 177.575 -0.755 17673 4810 1 13 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.614 0.736 17673 4811 1 13 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.221 0.239 17673 4812 1 13 . 1 1 50 50 HIS H H 130 8.679 8.679 8.777 -0.098 17673 4813 1 13 . 1 1 51 51 ILE N N 131 109.320 109.320 112.902 -3.582 17673 4814 1 13 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.660 0.600 17673 4815 1 13 . 1 1 51 51 ILE C C 131 176.350 176.350 175.460 0.890 17673 4816 1 13 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.459 0.251 17673 4817 1 13 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.731 1.329 17673 4818 1 13 . 1 1 51 51 ILE H H 131 6.790 6.790 8.223 -1.433 17673 4819 1 13 . 1 1 52 52 HIS N N 132 121.710 121.710 115.520 6.190 17673 4820 1 13 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.794 0.178 17673 4821 1 13 . 1 1 52 52 HIS C C 132 172.680 172.680 174.073 -1.393 17673 4822 1 13 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.737 -0.627 17673 4823 1 13 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.719 0.111 17673 4824 1 13 . 1 1 52 52 HIS H H 132 8.064 8.064 7.650 0.414 17673 4825 1 13 . 1 1 53 53 VAL N N 133 118.360 118.360 117.556 0.804 17673 4826 1 13 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.186 -0.182 17673 4827 1 13 . 1 1 53 53 VAL C C 133 173.990 173.990 174.153 -0.163 17673 4828 1 13 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.556 0.744 17673 4829 1 13 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.783 -0.733 17673 4830 1 13 . 1 1 53 53 VAL H H 133 7.614 7.614 7.528 0.086 17673 4831 1 13 . 1 1 54 54 LYS N N 134 123.720 123.720 120.778 2.942 17673 4832 1 13 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.694 0.126 17673 4833 1 13 . 1 1 54 54 LYS C C 134 173.820 173.820 174.409 -0.589 17673 4834 1 13 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.609 0.611 17673 4835 1 13 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.706 0.924 17673 4836 1 13 . 1 1 54 54 LYS H H 134 9.207 9.207 8.880 0.327 17673 4837 1 13 . 1 1 55 55 ALA N N 135 121.610 121.610 121.269 0.341 17673 4838 1 13 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.813 0.623 17673 4839 1 13 . 1 1 55 55 ALA C C 135 177.670 177.670 177.089 0.581 17673 4840 1 13 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.449 -0.249 17673 4841 1 13 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.914 0.196 17673 4842 1 13 . 1 1 55 55 ALA H H 135 8.560 8.560 8.446 0.114 17673 4843 1 13 . 1 1 56 56 PHE N N 136 120.080 120.080 119.370 0.710 17673 4844 1 13 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.029 0.234 17673 4845 1 13 . 1 1 56 56 PHE C C 136 175.380 175.380 175.843 -0.463 17673 4846 1 13 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.095 -0.235 17673 4847 1 13 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.091 1.059 17673 4848 1 13 . 1 1 56 56 PHE H H 136 8.680 8.680 7.710 0.970 17673 4849 1 13 . 1 1 57 57 SER N N 137 117.820 117.820 114.205 3.615 17673 4850 1 13 . 1 1 57 57 SER HA H 137 4.367 4.367 4.205 0.162 17673 4851 1 13 . 1 1 57 57 SER CA C 137 57.350 57.350 58.674 -1.324 17673 4852 1 13 . 1 1 57 57 SER CB C 137 64.220 64.220 63.631 0.589 17673 4853 1 13 . 1 1 57 57 SER H H 137 7.298 7.298 7.553 -0.255 17673 4854 1 13 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.740 0.438 17673 4855 1 13 . 1 1 58 58 LYS C C 138 176.260 176.260 177.760 -1.500 17673 4856 1 13 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.283 -2.543 17673 4857 1 13 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.630 0.170 17673 4858 1 13 . 1 1 59 59 ASP N N 139 120.500 120.500 116.906 3.594 17673 4859 1 13 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.369 0.156 17673 4860 1 13 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.836 -1.196 17673 4861 1 13 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.270 -0.290 17673 4862 1 13 . 1 1 59 59 ASP H H 139 8.245 8.245 8.499 -0.254 17673 4863 1 13 . 1 1 60 60 GLN N N 140 120.290 120.290 114.660 5.630 17673 4864 1 13 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.512 -0.265 17673 4865 1 13 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.633 1.427 17673 4866 1 13 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.404 -3.014 17673 4867 1 13 . 1 1 60 60 GLN H H 140 8.212 8.212 8.221 -0.009 17673 4868 1 13 . 1 1 61 61 ASN N N 141 121.710 121.710 118.951 2.759 17673 4869 1 13 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.759 -0.038 17673 4870 1 13 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.016 -0.937 17673 4871 1 13 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.575 -0.665 17673 4872 1 13 . 1 1 61 61 ASN H H 141 8.064 8.064 8.695 -0.631 17673 4873 1 13 . 1 1 62 62 ILE N N 142 120.890 120.890 119.729 1.161 17673 4874 1 13 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.563 -0.391 17673 4875 1 13 . 1 1 62 62 ILE C C 142 176.330 176.330 175.001 1.329 17673 4876 1 13 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.746 0.604 17673 4877 1 13 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.013 0.562 17673 4878 1 13 . 1 1 62 62 ILE H H 142 8.010 8.010 8.884 -0.874 17673 4879 1 13 . 1 1 63 63 VAL N N 143 123.520 123.520 119.680 3.840 17673 4880 1 13 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.334 -0.226 17673 4881 1 13 . 1 1 63 63 VAL C C 143 176.740 176.740 177.028 -0.288 17673 4882 1 13 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.359 -0.649 17673 4883 1 13 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.340 -0.770 17673 4884 1 13 . 1 1 63 63 VAL H H 143 8.157 8.157 8.730 -0.573 17673 4885 1 13 . 1 1 64 64 GLY N N 144 112.060 112.060 107.435 4.625 17673 4886 1 13 . 1 1 64 64 GLY C C 144 173.940 173.940 173.765 0.175 17673 4887 1 13 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.385 -0.905 17673 4888 1 13 . 1 1 64 64 GLY H H 144 8.408 8.408 8.524 -0.116 17673 4889 1 13 . 1 1 65 65 ASN N N 145 118.830 118.830 116.794 2.036 17673 4890 1 13 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.892 -0.176 17673 4891 1 13 . 1 1 65 65 ASN C C 145 175.220 175.220 173.231 1.989 17673 4892 1 13 . 1 1 65 65 ASN CA C 145 53.160 53.160 51.503 1.657 17673 4893 1 13 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.882 -2.882 17673 4894 1 13 . 1 1 65 65 ASN H H 145 8.305 8.305 7.947 0.358 17673 4895 1 13 . 1 1 66 66 ALA N N 146 124.400 124.400 122.137 2.263 17673 4896 1 13 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.533 -0.193 17673 4897 1 13 . 1 1 66 66 ALA C C 146 177.870 177.870 177.030 0.840 17673 4898 1 13 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.371 1.649 17673 4899 1 13 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.434 -0.344 17673 4900 1 13 . 1 1 66 66 ALA H H 146 8.341 8.341 8.538 -0.197 17673 4901 1 13 . 1 1 284 284 ALA N N 364 124.540 124.540 125.887 -1.347 17673 4902 1 13 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.618 -0.354 17673 4903 1 13 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.038 0.617 17673 4904 1 13 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.848 -1.718 17673 4905 1 13 . 1 1 284 284 ALA H H 364 8.267 8.267 8.571 -0.304 17673 4906 1 13 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.392 0.432 17673 4907 1 13 . 1 1 285 285 HIS H H 365 8.447 8.447 7.945 0.502 17673 4908 1 13 . 1 1 286 286 SER N N 366 117.450 117.450 114.196 3.254 17673 4909 1 13 . 1 1 286 286 SER HA H 366 4.460 4.460 4.681 -0.221 17673 4910 1 13 . 1 1 286 286 SER CA C 366 58.330 58.330 57.099 1.231 17673 4911 1 13 . 1 1 286 286 SER CB C 366 64.030 64.030 65.933 -1.903 17673 4912 1 13 . 1 1 286 286 SER H H 366 8.287 8.287 7.566 0.721 17673 4913 1 13 . 1 1 287 287 SER N N 367 117.450 117.450 115.786 1.664 17673 4914 1 13 . 1 1 287 287 SER HA H 367 4.460 4.460 4.560 -0.100 17673 4915 1 13 . 1 1 287 287 SER CA C 367 58.330 58.330 58.767 -0.437 17673 4916 1 13 . 1 1 287 287 SER CB C 367 64.030 64.030 63.533 0.497 17673 4917 1 13 . 1 1 287 287 SER H H 367 8.287 8.287 8.345 -0.058 17673 4918 1 13 . 1 1 292 292 LYS N N 372 123.390 123.390 122.194 1.196 17673 4919 1 13 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.511 -0.163 17673 4920 1 13 . 1 1 292 292 LYS CA C 372 56.640 56.640 55.986 0.654 17673 4921 1 13 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.945 0.205 17673 4922 1 13 . 1 1 292 292 LYS H H 372 8.416 8.416 7.841 0.575 17673 4923 1 13 . 1 1 293 293 LYS N N 373 123.390 123.390 121.711 1.679 17673 4924 1 13 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.224 0.124 17673 4925 1 13 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.388 -0.102 17673 4926 1 13 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.880 0.270 17673 4927 1 13 . 1 1 293 293 LYS H H 373 8.416 8.416 7.925 0.491 17673 4928 1 14 . 1 1 5 5 SER HA H 85 4.436 4.436 4.147 0.289 17673 4929 1 14 . 1 1 5 5 SER C C 85 173.840 173.840 173.922 -0.082 17673 4930 1 14 . 1 1 5 5 SER CA C 85 58.100 58.100 58.754 -0.654 17673 4931 1 14 . 1 1 5 5 SER CB C 85 64.010 64.010 62.158 1.852 17673 4932 1 14 . 1 1 6 6 GLU N N 86 122.440 122.440 118.899 3.541 17673 4933 1 14 . 1 1 6 6 GLU HA H 86 4.051 4.051 3.913 0.138 17673 4934 1 14 . 1 1 6 6 GLU C C 86 175.710 175.710 174.677 1.033 17673 4935 1 14 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.769 1.350 17673 4936 1 14 . 1 1 6 6 GLU CB C 86 30.746 30.746 30.345 0.401 17673 4937 1 14 . 1 1 6 6 GLU H H 86 8.107 8.107 8.377 -0.270 17673 4938 1 14 . 1 1 7 7 PHE N N 87 118.700 118.700 112.490 6.210 17673 4939 1 14 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.259 0.614 17673 4940 1 14 . 1 1 7 7 PHE C C 87 174.600 174.600 173.677 0.923 17673 4941 1 14 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.878 -0.753 17673 4942 1 14 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.948 3.821 17673 4943 1 14 . 1 1 7 7 PHE H H 87 7.598 7.598 7.471 0.127 17673 4944 1 14 . 1 1 8 8 GLN N N 88 118.630 118.630 117.937 0.693 17673 4945 1 14 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.766 -0.088 17673 4946 1 14 . 1 1 8 8 GLN C C 88 175.670 175.670 175.688 -0.018 17673 4947 1 14 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.011 -0.556 17673 4948 1 14 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.468 0.432 17673 4949 1 14 . 1 1 8 8 GLN H H 88 8.906 8.906 7.819 1.087 17673 4950 1 14 . 1 1 9 9 ILE N N 89 118.880 118.880 120.792 -1.912 17673 4951 1 14 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.619 -0.223 17673 4952 1 14 . 1 1 9 9 ILE C C 89 177.130 177.130 176.284 0.846 17673 4953 1 14 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.836 -0.144 17673 4954 1 14 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.360 0.070 17673 4955 1 14 . 1 1 9 9 ILE H H 89 8.384 8.384 8.374 0.010 17673 4956 1 14 . 1 1 10 10 ASN N N 90 119.090 119.090 119.121 -0.031 17673 4957 1 14 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.343 -0.099 17673 4958 1 14 . 1 1 10 10 ASN C C 90 173.870 173.870 173.971 -0.101 17673 4959 1 14 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.740 0.950 17673 4960 1 14 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.118 0.282 17673 4961 1 14 . 1 1 10 10 ASN H H 90 9.136 9.136 9.003 0.133 17673 4962 1 14 . 1 1 11 11 GLU N N 91 122.200 122.200 118.390 3.810 17673 4963 1 14 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.706 -0.502 17673 4964 1 14 . 1 1 11 11 GLU C C 91 176.040 176.040 174.948 1.092 17673 4965 1 14 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.415 3.285 17673 4966 1 14 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.513 -1.133 17673 4967 1 14 . 1 1 11 11 GLU H H 91 8.157 8.157 7.900 0.257 17673 4968 1 14 . 1 1 12 12 GLN N N 92 124.360 124.360 119.104 5.256 17673 4969 1 14 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.103 -0.269 17673 4970 1 14 . 1 1 12 12 GLN C C 92 174.920 174.920 176.082 -1.162 17673 4971 1 14 . 1 1 12 12 GLN CA C 92 55.726 55.726 56.717 -0.991 17673 4972 1 14 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.726 -0.734 17673 4973 1 14 . 1 1 12 12 GLN H H 92 8.605 8.605 8.603 0.002 17673 4974 1 14 . 1 1 13 13 VAL N N 93 118.540 118.540 112.186 6.354 17673 4975 1 14 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.477 0.226 17673 4976 1 14 . 1 1 13 13 VAL C C 93 174.780 174.780 173.831 0.949 17673 4977 1 14 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.891 -0.358 17673 4978 1 14 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.281 0.706 17673 4979 1 14 . 1 1 13 13 VAL H H 93 8.997 8.997 8.934 0.063 17673 4980 1 14 . 1 1 14 14 LEU N N 94 118.610 118.610 121.250 -2.640 17673 4981 1 14 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.161 -0.159 17673 4982 1 14 . 1 1 14 14 LEU C C 94 175.290 175.290 175.454 -0.164 17673 4983 1 14 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.606 0.252 17673 4984 1 14 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.046 1.612 17673 4985 1 14 . 1 1 14 14 LEU H H 94 8.618 8.618 8.627 -0.009 17673 4986 1 14 . 1 1 15 15 ALA N N 95 122.870 122.870 126.478 -3.608 17673 4987 1 14 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.530 0.335 17673 4988 1 14 . 1 1 15 15 ALA C C 95 176.220 176.220 176.722 -0.502 17673 4989 1 14 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.217 -0.267 17673 4990 1 14 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.810 0.330 17673 4991 1 14 . 1 1 15 15 ALA H H 95 9.335 9.335 9.441 -0.106 17673 4992 1 14 . 1 1 16 16 SER N N 96 117.200 117.200 119.874 -2.674 17673 4993 1 14 . 1 1 16 16 SER HA H 96 4.520 4.520 4.589 -0.069 17673 4994 1 14 . 1 1 16 16 SER C C 96 174.250 174.250 174.196 0.054 17673 4995 1 14 . 1 1 16 16 SER CA C 96 57.245 57.245 59.522 -2.277 17673 4996 1 14 . 1 1 16 16 SER CB C 96 63.974 63.974 63.417 0.557 17673 4997 1 14 . 1 1 16 16 SER H H 96 8.513 8.513 8.883 -0.370 17673 4998 1 14 . 1 1 17 17 TRP N N 97 125.340 125.340 130.161 -4.821 17673 4999 1 14 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.761 0.476 17673 5000 1 14 . 1 1 17 17 TRP C C 97 176.630 176.630 177.068 -0.438 17673 5001 1 14 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.486 -1.596 17673 5002 1 14 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.650 0.370 17673 5003 1 14 . 1 1 17 17 TRP H H 97 8.621 8.621 9.005 -0.384 17673 5004 1 14 . 1 1 18 18 SER N N 98 118.120 118.120 117.939 0.181 17673 5005 1 14 . 1 1 18 18 SER HA H 98 3.912 3.912 3.927 -0.015 17673 5006 1 14 . 1 1 18 18 SER C C 98 173.650 173.650 175.092 -1.442 17673 5007 1 14 . 1 1 18 18 SER CA C 98 59.400 59.400 60.758 -1.358 17673 5008 1 14 . 1 1 18 18 SER CB C 98 62.330 62.330 62.736 -0.406 17673 5009 1 14 . 1 1 18 18 SER H H 98 6.530 6.530 8.173 -1.643 17673 5010 1 14 . 1 1 19 19 ASP N N 99 119.980 119.980 119.794 0.186 17673 5011 1 14 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.234 0.206 17673 5012 1 14 . 1 1 19 19 ASP C C 99 176.200 176.200 176.600 -0.400 17673 5013 1 14 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.929 -2.509 17673 5014 1 14 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.423 -1.233 17673 5015 1 14 . 1 1 19 19 ASP H H 99 7.834 7.834 7.721 0.113 17673 5016 1 14 . 1 1 20 20 SER N N 100 110.670 110.670 109.244 1.426 17673 5017 1 14 . 1 1 20 20 SER HA H 100 3.923 3.923 4.314 -0.391 17673 5018 1 14 . 1 1 20 20 SER C C 100 173.090 173.090 172.732 0.358 17673 5019 1 14 . 1 1 20 20 SER CA C 100 60.410 60.410 59.598 0.812 17673 5020 1 14 . 1 1 20 20 SER CB C 100 62.350 62.350 64.508 -2.158 17673 5021 1 14 . 1 1 20 20 SER H H 100 8.127 8.127 8.245 -0.118 17673 5022 1 14 . 1 1 21 21 ARG N N 101 120.850 120.850 119.355 1.495 17673 5023 1 14 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.509 -0.038 17673 5024 1 14 . 1 1 21 21 ARG C C 101 174.190 174.190 174.560 -0.370 17673 5025 1 14 . 1 1 21 21 ARG CA C 101 55.010 55.010 53.908 1.102 17673 5026 1 14 . 1 1 21 21 ARG CB C 101 31.000 31.000 31.010 -0.010 17673 5027 1 14 . 1 1 21 21 ARG H H 101 8.097 8.097 7.893 0.204 17673 5028 1 14 . 1 1 22 22 PHE N N 102 118.370 118.370 118.932 -0.562 17673 5029 1 14 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.553 0.280 17673 5030 1 14 . 1 1 22 22 PHE C C 102 175.840 175.840 175.519 0.321 17673 5031 1 14 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.292 -1.552 17673 5032 1 14 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.570 2.450 17673 5033 1 14 . 1 1 22 22 PHE H H 102 8.400 8.400 7.831 0.569 17673 5034 1 14 . 1 1 23 23 TYR N N 103 119.450 119.450 119.606 -0.156 17673 5035 1 14 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.362 -0.222 17673 5036 1 14 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.334 0.376 17673 5037 1 14 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.916 -0.256 17673 5038 1 14 . 1 1 23 23 TYR H H 103 9.263 9.263 8.714 0.549 17673 5039 1 14 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.274 -0.246 17673 5040 1 14 . 1 1 24 24 PRO C C 104 175.500 175.500 175.915 -0.415 17673 5041 1 14 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.805 1.055 17673 5042 1 14 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.632 -0.032 17673 5043 1 14 . 1 1 25 25 ALA N N 105 124.530 124.530 121.795 2.735 17673 5044 1 14 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.956 0.842 17673 5045 1 14 . 1 1 25 25 ALA C C 105 174.470 174.470 174.592 -0.122 17673 5046 1 14 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.706 0.174 17673 5047 1 14 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.403 0.997 17673 5048 1 14 . 1 1 25 25 ALA H H 105 9.121 9.121 8.892 0.229 17673 5049 1 14 . 1 1 26 26 LYS N N 106 117.940 117.940 121.087 -3.147 17673 5050 1 14 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.884 0.333 17673 5051 1 14 . 1 1 26 26 LYS C C 106 176.420 176.420 176.373 0.047 17673 5052 1 14 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.682 -0.682 17673 5053 1 14 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.691 1.389 17673 5054 1 14 . 1 1 26 26 LYS H H 106 8.064 8.064 8.405 -0.341 17673 5055 1 14 . 1 1 27 27 VAL N N 107 123.950 123.950 128.481 -4.531 17673 5056 1 14 . 1 1 27 27 VAL HA H 107 3.956 3.956 3.997 -0.041 17673 5057 1 14 . 1 1 27 27 VAL C C 107 177.040 177.040 176.595 0.445 17673 5058 1 14 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.832 0.228 17673 5059 1 14 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.941 -0.011 17673 5060 1 14 . 1 1 27 27 VAL H H 107 8.264 8.264 8.984 -0.720 17673 5061 1 14 . 1 1 28 28 THR N N 108 121.600 121.600 118.485 3.115 17673 5062 1 14 . 1 1 28 28 THR HA H 108 4.680 4.680 4.463 0.217 17673 5063 1 14 . 1 1 28 28 THR C C 108 175.270 175.270 174.550 0.720 17673 5064 1 14 . 1 1 28 28 THR CA C 108 62.180 62.180 61.332 0.848 17673 5065 1 14 . 1 1 28 28 THR CB C 108 68.940 68.940 70.331 -1.391 17673 5066 1 14 . 1 1 28 28 THR H H 108 9.633 9.633 8.838 0.795 17673 5067 1 14 . 1 1 29 29 ALA N N 109 123.390 123.390 123.870 -0.480 17673 5068 1 14 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.590 -0.151 17673 5069 1 14 . 1 1 29 29 ALA C C 109 174.910 174.910 174.758 0.152 17673 5070 1 14 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.937 1.473 17673 5071 1 14 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.473 0.742 17673 5072 1 14 . 1 1 29 29 ALA H H 109 8.058 8.058 7.694 0.364 17673 5073 1 14 . 1 1 30 30 VAL N N 110 123.310 123.310 118.856 4.454 17673 5074 1 14 . 1 1 30 30 VAL HA H 110 4.100 4.100 3.960 0.140 17673 5075 1 14 . 1 1 30 30 VAL C C 110 175.510 175.510 174.561 0.949 17673 5076 1 14 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.251 1.429 17673 5077 1 14 . 1 1 30 30 VAL CB C 110 32.730 32.730 34.987 -2.257 17673 5078 1 14 . 1 1 30 30 VAL H H 110 8.541 8.541 8.248 0.293 17673 5079 1 14 . 1 1 31 31 ASN N N 111 123.230 123.230 124.975 -1.745 17673 5080 1 14 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.951 -0.014 17673 5081 1 14 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.985 1.110 17673 5082 1 14 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.144 -0.594 17673 5083 1 14 . 1 1 31 31 ASN H H 111 7.957 7.957 8.640 -0.683 17673 5084 1 14 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.939 0.245 17673 5085 1 14 . 1 1 32 32 LYS C C 112 176.120 176.120 177.141 -1.021 17673 5086 1 14 . 1 1 32 32 LYS CA C 112 58.310 58.310 57.892 0.418 17673 5087 1 14 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.332 -0.422 17673 5088 1 14 . 1 1 33 33 ASP N N 113 117.410 117.410 116.905 0.505 17673 5089 1 14 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.446 0.086 17673 5090 1 14 . 1 1 33 33 ASP C C 113 177.040 177.040 177.199 -0.159 17673 5091 1 14 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.129 -2.242 17673 5092 1 14 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.106 -1.116 17673 5093 1 14 . 1 1 33 33 ASP H H 113 7.867 7.867 8.086 -0.219 17673 5094 1 14 . 1 1 34 34 GLY N N 114 107.300 107.300 105.535 1.765 17673 5095 1 14 . 1 1 34 34 GLY C C 114 174.640 174.640 173.418 1.222 17673 5096 1 14 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.901 0.889 17673 5097 1 14 . 1 1 34 34 GLY H H 114 7.944 7.944 8.075 -0.131 17673 5098 1 14 . 1 1 35 35 THR N N 115 108.940 108.940 112.033 -3.093 17673 5099 1 14 . 1 1 35 35 THR HA H 115 4.824 4.824 5.401 -0.577 17673 5100 1 14 . 1 1 35 35 THR C C 115 173.650 173.650 172.272 1.378 17673 5101 1 14 . 1 1 35 35 THR CA C 115 60.640 60.640 59.772 0.868 17673 5102 1 14 . 1 1 35 35 THR CB C 115 72.740 72.740 72.238 0.502 17673 5103 1 14 . 1 1 35 35 THR H H 115 7.381 7.381 7.913 -0.532 17673 5104 1 14 . 1 1 36 36 TYR N N 116 116.170 116.170 117.772 -1.602 17673 5105 1 14 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.960 0.215 17673 5106 1 14 . 1 1 36 36 TYR C C 116 175.890 175.890 174.289 1.601 17673 5107 1 14 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.659 -0.649 17673 5108 1 14 . 1 1 36 36 TYR CB C 116 42.170 42.170 44.016 -1.846 17673 5109 1 14 . 1 1 36 36 TYR H H 116 9.058 9.058 9.360 -0.302 17673 5110 1 14 . 1 1 37 37 THR N N 117 120.780 120.780 118.192 2.588 17673 5111 1 14 . 1 1 37 37 THR HA H 117 5.116 5.116 5.364 -0.248 17673 5112 1 14 . 1 1 37 37 THR C C 117 173.990 173.990 173.374 0.616 17673 5113 1 14 . 1 1 37 37 THR CA C 117 63.060 63.060 61.308 1.752 17673 5114 1 14 . 1 1 37 37 THR CB C 117 69.255 69.255 70.812 -1.557 17673 5115 1 14 . 1 1 37 37 THR H H 117 9.035 9.035 8.915 0.120 17673 5116 1 14 . 1 1 38 38 VAL N N 118 120.000 120.000 118.659 1.341 17673 5117 1 14 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.185 0.064 17673 5118 1 14 . 1 1 38 38 VAL C C 118 172.390 172.390 173.046 -0.656 17673 5119 1 14 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.167 -1.427 17673 5120 1 14 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.849 -0.919 17673 5121 1 14 . 1 1 38 38 VAL H H 118 9.183 9.183 9.123 0.060 17673 5122 1 14 . 1 1 39 39 LYS N N 119 121.000 121.000 121.493 -0.493 17673 5123 1 14 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.076 -0.014 17673 5124 1 14 . 1 1 39 39 LYS C C 119 178.050 178.050 175.086 2.964 17673 5125 1 14 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.238 -0.028 17673 5126 1 14 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.147 -1.227 17673 5127 1 14 . 1 1 39 39 LYS H H 119 8.802 8.802 8.733 0.069 17673 5128 1 14 . 1 1 40 40 PHE N N 120 127.480 127.480 125.438 2.042 17673 5129 1 14 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.261 0.485 17673 5130 1 14 . 1 1 40 40 PHE C C 120 178.110 178.110 176.890 1.220 17673 5131 1 14 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.498 2.112 17673 5132 1 14 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.958 2.082 17673 5133 1 14 . 1 1 40 40 PHE H H 120 9.634 9.634 9.089 0.545 17673 5134 1 14 . 1 1 41 41 TYR N N 121 119.600 119.600 122.613 -3.013 17673 5135 1 14 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.230 0.174 17673 5136 1 14 . 1 1 41 41 TYR C C 121 174.890 174.890 176.949 -2.059 17673 5137 1 14 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.860 -0.948 17673 5138 1 14 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.017 -0.577 17673 5139 1 14 . 1 1 41 41 TYR H H 121 8.679 8.679 8.216 0.463 17673 5140 1 14 . 1 1 42 42 ASP N N 122 117.780 117.780 117.366 0.414 17673 5141 1 14 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.514 -0.201 17673 5142 1 14 . 1 1 42 42 ASP C C 122 176.810 176.810 177.404 -0.594 17673 5143 1 14 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.978 -2.308 17673 5144 1 14 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.241 -2.531 17673 5145 1 14 . 1 1 42 42 ASP H H 122 7.128 7.128 7.994 -0.866 17673 5146 1 14 . 1 1 43 43 GLY N N 123 108.200 108.200 106.139 2.061 17673 5147 1 14 . 1 1 43 43 GLY C C 123 173.670 173.670 174.154 -0.484 17673 5148 1 14 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.685 0.565 17673 5149 1 14 . 1 1 43 43 GLY H H 123 8.242 8.242 8.059 0.183 17673 5150 1 14 . 1 1 44 44 VAL N N 124 121.320 121.320 121.505 -0.185 17673 5151 1 14 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.068 -0.225 17673 5152 1 14 . 1 1 44 44 VAL C C 124 174.610 174.610 175.167 -0.557 17673 5153 1 14 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.238 0.732 17673 5154 1 14 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.791 -0.551 17673 5155 1 14 . 1 1 44 44 VAL H H 124 6.877 6.877 7.856 -0.979 17673 5156 1 14 . 1 1 45 45 VAL N N 125 129.030 129.030 124.579 4.451 17673 5157 1 14 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.030 0.239 17673 5158 1 14 . 1 1 45 45 VAL C C 125 176.640 176.640 175.089 1.551 17673 5159 1 14 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.875 0.205 17673 5160 1 14 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.828 -1.408 17673 5161 1 14 . 1 1 45 45 VAL H H 125 8.529 8.529 8.399 0.130 17673 5162 1 14 . 1 1 46 46 GLN N N 126 125.880 125.880 124.806 1.074 17673 5163 1 14 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.884 -0.047 17673 5164 1 14 . 1 1 46 46 GLN C C 126 173.960 173.960 174.038 -0.078 17673 5165 1 14 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.272 0.368 17673 5166 1 14 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.457 2.223 17673 5167 1 14 . 1 1 46 46 GLN H H 126 8.989 8.989 9.091 -0.102 17673 5168 1 14 . 1 1 47 47 THR N N 127 121.970 121.970 119.054 2.916 17673 5169 1 14 . 1 1 47 47 THR HA H 127 5.347 5.347 5.367 -0.020 17673 5170 1 14 . 1 1 47 47 THR C C 127 174.500 174.500 174.147 0.353 17673 5171 1 14 . 1 1 47 47 THR CA C 127 62.730 62.730 61.393 1.337 17673 5172 1 14 . 1 1 47 47 THR CB C 127 69.540 69.540 69.823 -0.283 17673 5173 1 14 . 1 1 47 47 THR H H 127 8.912 8.912 8.483 0.429 17673 5174 1 14 . 1 1 48 48 VAL N N 128 121.810 121.810 121.788 0.022 17673 5175 1 14 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.014 -0.012 17673 5176 1 14 . 1 1 48 48 VAL C C 128 174.840 174.840 174.104 0.736 17673 5177 1 14 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.593 -0.543 17673 5178 1 14 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.392 0.448 17673 5179 1 14 . 1 1 48 48 VAL H H 128 9.513 9.513 9.176 0.337 17673 5180 1 14 . 1 1 49 49 LYS N N 129 121.050 121.050 118.954 2.096 17673 5181 1 14 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.939 -0.503 17673 5182 1 14 . 1 1 49 49 LYS C C 129 178.110 178.110 178.294 -0.184 17673 5183 1 14 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.142 1.968 17673 5184 1 14 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.785 0.385 17673 5185 1 14 . 1 1 49 49 LYS H H 129 9.021 9.021 8.692 0.329 17673 5186 1 14 . 1 1 50 50 HIS N N 130 119.600 119.600 120.694 -1.094 17673 5187 1 14 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.377 0.099 17673 5188 1 14 . 1 1 50 50 HIS C C 130 176.820 176.820 177.586 -0.766 17673 5189 1 14 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.437 0.913 17673 5190 1 14 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.222 0.238 17673 5191 1 14 . 1 1 50 50 HIS H H 130 8.679 8.679 8.650 0.029 17673 5192 1 14 . 1 1 51 51 ILE N N 131 109.320 109.320 113.511 -4.191 17673 5193 1 14 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.618 0.642 17673 5194 1 14 . 1 1 51 51 ILE C C 131 176.350 176.350 175.903 0.447 17673 5195 1 14 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.746 -0.036 17673 5196 1 14 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.827 1.233 17673 5197 1 14 . 1 1 51 51 ILE H H 131 6.790 6.790 8.119 -1.329 17673 5198 1 14 . 1 1 52 52 HIS N N 132 121.710 121.710 115.769 5.941 17673 5199 1 14 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.870 0.102 17673 5200 1 14 . 1 1 52 52 HIS C C 132 172.680 172.680 173.990 -1.310 17673 5201 1 14 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.797 -0.687 17673 5202 1 14 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.814 0.016 17673 5203 1 14 . 1 1 52 52 HIS H H 132 8.064 8.064 7.688 0.376 17673 5204 1 14 . 1 1 53 53 VAL N N 133 118.360 118.360 118.216 0.144 17673 5205 1 14 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.091 -0.087 17673 5206 1 14 . 1 1 53 53 VAL C C 133 173.990 173.990 173.791 0.199 17673 5207 1 14 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.929 0.370 17673 5208 1 14 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.143 -1.093 17673 5209 1 14 . 1 1 53 53 VAL H H 133 7.614 7.614 7.525 0.089 17673 5210 1 14 . 1 1 54 54 LYS N N 134 123.720 123.720 121.176 2.544 17673 5211 1 14 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.772 0.048 17673 5212 1 14 . 1 1 54 54 LYS C C 134 173.820 173.820 174.413 -0.593 17673 5213 1 14 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.513 0.707 17673 5214 1 14 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.926 0.704 17673 5215 1 14 . 1 1 54 54 LYS H H 134 9.207 9.207 8.744 0.463 17673 5216 1 14 . 1 1 55 55 ALA N N 135 121.610 121.610 121.401 0.209 17673 5217 1 14 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.826 0.610 17673 5218 1 14 . 1 1 55 55 ALA C C 135 177.670 177.670 176.659 1.011 17673 5219 1 14 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.554 -0.354 17673 5220 1 14 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.792 0.318 17673 5221 1 14 . 1 1 55 55 ALA H H 135 8.560 8.560 8.096 0.464 17673 5222 1 14 . 1 1 56 56 PHE N N 136 120.080 120.080 119.383 0.697 17673 5223 1 14 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.087 0.176 17673 5224 1 14 . 1 1 56 56 PHE C C 136 175.380 175.380 175.748 -0.368 17673 5225 1 14 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.669 0.191 17673 5226 1 14 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.326 0.824 17673 5227 1 14 . 1 1 56 56 PHE H H 136 8.680 8.680 7.748 0.932 17673 5228 1 14 . 1 1 57 57 SER N N 137 117.820 117.820 114.151 3.669 17673 5229 1 14 . 1 1 57 57 SER HA H 137 4.367 4.367 4.191 0.176 17673 5230 1 14 . 1 1 57 57 SER CA C 137 57.350 57.350 58.923 -1.573 17673 5231 1 14 . 1 1 57 57 SER CB C 137 64.220 64.220 63.469 0.750 17673 5232 1 14 . 1 1 57 57 SER H H 137 7.298 7.298 7.385 -0.087 17673 5233 1 14 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.710 0.468 17673 5234 1 14 . 1 1 58 58 LYS C C 138 176.260 176.260 177.832 -1.572 17673 5235 1 14 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.562 -2.822 17673 5236 1 14 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.561 0.239 17673 5237 1 14 . 1 1 59 59 ASP N N 139 120.500 120.500 116.879 3.621 17673 5238 1 14 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.367 0.158 17673 5239 1 14 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.021 -1.381 17673 5240 1 14 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.216 -0.236 17673 5241 1 14 . 1 1 59 59 ASP H H 139 8.245 8.245 8.515 -0.270 17673 5242 1 14 . 1 1 60 60 GLN N N 140 120.290 120.290 115.102 5.188 17673 5243 1 14 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.463 -0.216 17673 5244 1 14 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.974 1.085 17673 5245 1 14 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.263 -2.873 17673 5246 1 14 . 1 1 60 60 GLN H H 140 8.212 8.212 8.175 0.037 17673 5247 1 14 . 1 1 61 61 ASN N N 141 121.710 121.710 117.642 4.068 17673 5248 1 14 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.667 0.055 17673 5249 1 14 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.198 -0.119 17673 5250 1 14 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.534 -0.624 17673 5251 1 14 . 1 1 61 61 ASN H H 141 8.064 8.064 8.572 -0.508 17673 5252 1 14 . 1 1 62 62 ILE N N 142 120.890 120.890 118.798 2.092 17673 5253 1 14 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.295 -0.123 17673 5254 1 14 . 1 1 62 62 ILE C C 142 176.330 176.330 177.429 -1.099 17673 5255 1 14 . 1 1 62 62 ILE CA C 142 61.350 61.350 63.282 -1.932 17673 5256 1 14 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.725 -1.150 17673 5257 1 14 . 1 1 62 62 ILE H H 142 8.010 8.010 8.780 -0.770 17673 5258 1 14 . 1 1 63 63 VAL N N 143 123.520 123.520 119.485 4.035 17673 5259 1 14 . 1 1 63 63 VAL HA H 143 4.108 4.108 3.950 0.158 17673 5260 1 14 . 1 1 63 63 VAL C C 143 176.740 176.740 176.813 -0.073 17673 5261 1 14 . 1 1 63 63 VAL CA C 143 62.710 62.710 65.057 -2.347 17673 5262 1 14 . 1 1 63 63 VAL CB C 143 32.570 32.570 31.048 1.522 17673 5263 1 14 . 1 1 63 63 VAL H H 143 8.157 8.157 8.429 -0.272 17673 5264 1 14 . 1 1 64 64 GLY N N 144 112.060 112.060 105.840 6.220 17673 5265 1 14 . 1 1 64 64 GLY C C 144 173.940 173.940 173.627 0.313 17673 5266 1 14 . 1 1 64 64 GLY CA C 144 45.480 45.480 44.152 1.328 17673 5267 1 14 . 1 1 64 64 GLY H H 144 8.408 8.408 8.280 0.128 17673 5268 1 14 . 1 1 65 65 ASN N N 145 118.830 118.830 118.132 0.698 17673 5269 1 14 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.663 0.053 17673 5270 1 14 . 1 1 65 65 ASN C C 145 175.220 175.220 174.904 0.316 17673 5271 1 14 . 1 1 65 65 ASN CA C 145 53.160 53.160 53.915 -0.755 17673 5272 1 14 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.647 -1.647 17673 5273 1 14 . 1 1 65 65 ASN H H 145 8.305 8.305 7.851 0.454 17673 5274 1 14 . 1 1 66 66 ALA N N 146 124.400 124.400 121.681 2.719 17673 5275 1 14 . 1 1 66 66 ALA HA H 146 4.340 4.340 3.987 0.353 17673 5276 1 14 . 1 1 66 66 ALA C C 146 177.870 177.870 176.890 0.980 17673 5277 1 14 . 1 1 66 66 ALA CA C 146 53.020 53.020 53.800 -0.780 17673 5278 1 14 . 1 1 66 66 ALA CB C 146 19.090 19.090 17.721 1.369 17673 5279 1 14 . 1 1 66 66 ALA H H 146 8.341 8.341 8.517 -0.176 17673 5280 1 14 . 1 1 284 284 ALA N N 364 124.540 124.540 127.427 -2.887 17673 5281 1 14 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.845 -0.581 17673 5282 1 14 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.979 0.676 17673 5283 1 14 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.653 -2.523 17673 5284 1 14 . 1 1 284 284 ALA H H 364 8.267 8.267 8.500 -0.233 17673 5285 1 14 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.976 -0.152 17673 5286 1 14 . 1 1 285 285 HIS H H 365 8.447 8.447 8.187 0.260 17673 5287 1 14 . 1 1 286 286 SER N N 366 117.450 117.450 114.442 3.008 17673 5288 1 14 . 1 1 286 286 SER HA H 366 4.460 4.460 4.525 -0.065 17673 5289 1 14 . 1 1 286 286 SER CA C 366 58.330 58.330 57.253 1.077 17673 5290 1 14 . 1 1 286 286 SER CB C 366 64.030 64.030 66.300 -2.271 17673 5291 1 14 . 1 1 286 286 SER H H 366 8.287 8.287 7.491 0.796 17673 5292 1 14 . 1 1 287 287 SER N N 367 117.450 117.450 115.039 2.411 17673 5293 1 14 . 1 1 287 287 SER HA H 367 4.460 4.460 4.689 -0.229 17673 5294 1 14 . 1 1 287 287 SER CA C 367 58.330 58.330 58.934 -0.605 17673 5295 1 14 . 1 1 287 287 SER CB C 367 64.030 64.030 63.569 0.461 17673 5296 1 14 . 1 1 287 287 SER H H 367 8.287 8.287 8.369 -0.082 17673 5297 1 14 . 1 1 292 292 LYS N N 372 123.390 123.390 122.414 0.976 17673 5298 1 14 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.181 0.167 17673 5299 1 14 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.317 -0.677 17673 5300 1 14 . 1 1 292 292 LYS CB C 372 33.150 33.150 33.077 0.073 17673 5301 1 14 . 1 1 292 292 LYS H H 372 8.416 8.416 8.162 0.254 17673 5302 1 14 . 1 1 293 293 LYS N N 373 123.390 123.390 120.839 2.551 17673 5303 1 14 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.349 -0.001 17673 5304 1 14 . 1 1 293 293 LYS CA C 373 56.286 56.286 55.958 0.328 17673 5305 1 14 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.985 0.165 17673 5306 1 14 . 1 1 293 293 LYS H H 373 8.416 8.416 7.970 0.446 17673 5307 1 15 . 1 1 5 5 SER HA H 85 4.436 4.436 4.352 0.084 17673 5308 1 15 . 1 1 5 5 SER C C 85 173.840 173.840 172.695 1.145 17673 5309 1 15 . 1 1 5 5 SER CA C 85 58.100 58.100 57.833 0.267 17673 5310 1 15 . 1 1 5 5 SER CB C 85 64.010 64.010 64.185 -0.175 17673 5311 1 15 . 1 1 6 6 GLU N N 86 122.440 122.440 121.293 1.147 17673 5312 1 15 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.247 -0.196 17673 5313 1 15 . 1 1 6 6 GLU C C 86 175.710 175.710 174.319 1.391 17673 5314 1 15 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.404 1.715 17673 5315 1 15 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.380 -0.633 17673 5316 1 15 . 1 1 6 6 GLU H H 86 8.107 8.107 7.387 0.720 17673 5317 1 15 . 1 1 7 7 PHE N N 87 118.700 118.700 122.932 -4.232 17673 5318 1 15 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.765 0.108 17673 5319 1 15 . 1 1 7 7 PHE C C 87 174.600 174.600 175.376 -0.776 17673 5320 1 15 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.357 -0.232 17673 5321 1 15 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.644 0.125 17673 5322 1 15 . 1 1 7 7 PHE H H 87 7.598 7.598 8.434 -0.836 17673 5323 1 15 . 1 1 8 8 GLN N N 88 118.630 118.630 120.892 -2.262 17673 5324 1 15 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.697 -0.019 17673 5325 1 15 . 1 1 8 8 GLN C C 88 175.670 175.670 174.880 0.790 17673 5326 1 15 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.727 -0.272 17673 5327 1 15 . 1 1 8 8 GLN CB C 88 31.900 31.900 32.285 -0.386 17673 5328 1 15 . 1 1 8 8 GLN H H 88 8.906 8.906 8.501 0.405 17673 5329 1 15 . 1 1 9 9 ILE N N 89 118.880 118.880 121.121 -2.241 17673 5330 1 15 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.731 -0.335 17673 5331 1 15 . 1 1 9 9 ILE C C 89 177.130 177.130 176.301 0.829 17673 5332 1 15 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.911 -0.219 17673 5333 1 15 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.505 -0.075 17673 5334 1 15 . 1 1 9 9 ILE H H 89 8.384 8.384 8.376 0.008 17673 5335 1 15 . 1 1 10 10 ASN N N 90 119.090 119.090 118.906 0.184 17673 5336 1 15 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.344 -0.100 17673 5337 1 15 . 1 1 10 10 ASN C C 90 173.870 173.870 174.144 -0.274 17673 5338 1 15 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.702 0.988 17673 5339 1 15 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.924 0.476 17673 5340 1 15 . 1 1 10 10 ASN H H 90 9.136 9.136 9.038 0.098 17673 5341 1 15 . 1 1 11 11 GLU N N 91 122.200 122.200 118.467 3.733 17673 5342 1 15 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.695 -0.491 17673 5343 1 15 . 1 1 11 11 GLU C C 91 176.040 176.040 174.793 1.247 17673 5344 1 15 . 1 1 11 11 GLU CA C 91 57.700 57.700 53.982 3.718 17673 5345 1 15 . 1 1 11 11 GLU CB C 91 31.380 31.380 33.264 -1.883 17673 5346 1 15 . 1 1 11 11 GLU H H 91 8.157 8.157 7.795 0.362 17673 5347 1 15 . 1 1 12 12 GLN N N 92 124.360 124.360 121.500 2.860 17673 5348 1 15 . 1 1 12 12 GLN HA H 92 4.834 4.834 4.850 -0.016 17673 5349 1 15 . 1 1 12 12 GLN C C 92 174.920 174.920 175.924 -1.004 17673 5350 1 15 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.525 -1.799 17673 5351 1 15 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.484 -0.492 17673 5352 1 15 . 1 1 12 12 GLN H H 92 8.605 8.605 8.763 -0.158 17673 5353 1 15 . 1 1 13 13 VAL N N 93 118.540 118.540 113.711 4.829 17673 5354 1 15 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.437 0.266 17673 5355 1 15 . 1 1 13 13 VAL C C 93 174.780 174.780 173.842 0.938 17673 5356 1 15 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.589 -0.056 17673 5357 1 15 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.342 0.645 17673 5358 1 15 . 1 1 13 13 VAL H H 93 8.997 8.997 9.024 -0.027 17673 5359 1 15 . 1 1 14 14 LEU N N 94 118.610 118.610 120.345 -1.735 17673 5360 1 15 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.224 -0.222 17673 5361 1 15 . 1 1 14 14 LEU C C 94 175.290 175.290 175.273 0.017 17673 5362 1 15 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.454 0.404 17673 5363 1 15 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.824 0.834 17673 5364 1 15 . 1 1 14 14 LEU H H 94 8.618 8.618 8.428 0.190 17673 5365 1 15 . 1 1 15 15 ALA N N 95 122.870 122.870 126.152 -3.282 17673 5366 1 15 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.502 0.363 17673 5367 1 15 . 1 1 15 15 ALA C C 95 176.220 176.220 176.693 -0.473 17673 5368 1 15 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.252 -0.302 17673 5369 1 15 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.835 0.305 17673 5370 1 15 . 1 1 15 15 ALA H H 95 9.335 9.335 9.328 0.007 17673 5371 1 15 . 1 1 16 16 SER N N 96 117.200 117.200 120.730 -3.530 17673 5372 1 15 . 1 1 16 16 SER HA H 96 4.520 4.520 4.556 -0.036 17673 5373 1 15 . 1 1 16 16 SER C C 96 174.250 174.250 174.111 0.139 17673 5374 1 15 . 1 1 16 16 SER CA C 96 57.245 57.245 59.260 -2.015 17673 5375 1 15 . 1 1 16 16 SER CB C 96 63.974 63.974 63.150 0.824 17673 5376 1 15 . 1 1 16 16 SER H H 96 8.513 8.513 8.907 -0.394 17673 5377 1 15 . 1 1 17 17 TRP N N 97 125.340 125.340 130.204 -4.864 17673 5378 1 15 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.347 0.890 17673 5379 1 15 . 1 1 17 17 TRP C C 97 176.630 176.630 177.042 -0.412 17673 5380 1 15 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.956 -2.066 17673 5381 1 15 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.183 0.837 17673 5382 1 15 . 1 1 17 17 TRP H H 97 8.621 8.621 8.828 -0.207 17673 5383 1 15 . 1 1 18 18 SER N N 98 118.120 118.120 118.167 -0.047 17673 5384 1 15 . 1 1 18 18 SER HA H 98 3.912 3.912 3.927 -0.015 17673 5385 1 15 . 1 1 18 18 SER C C 98 173.650 173.650 175.012 -1.362 17673 5386 1 15 . 1 1 18 18 SER CA C 98 59.400 59.400 60.663 -1.263 17673 5387 1 15 . 1 1 18 18 SER CB C 98 62.330 62.330 62.860 -0.530 17673 5388 1 15 . 1 1 18 18 SER H H 98 6.530 6.530 8.046 -1.516 17673 5389 1 15 . 1 1 19 19 ASP N N 99 119.980 119.980 118.284 1.696 17673 5390 1 15 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.234 0.206 17673 5391 1 15 . 1 1 19 19 ASP C C 99 176.200 176.200 176.539 -0.339 17673 5392 1 15 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.911 -2.491 17673 5393 1 15 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.384 -1.194 17673 5394 1 15 . 1 1 19 19 ASP H H 99 7.834 7.834 7.483 0.351 17673 5395 1 15 . 1 1 20 20 SER N N 100 110.670 110.670 109.896 0.774 17673 5396 1 15 . 1 1 20 20 SER HA H 100 3.923 3.923 4.454 -0.531 17673 5397 1 15 . 1 1 20 20 SER C C 100 173.090 173.090 173.694 -0.604 17673 5398 1 15 . 1 1 20 20 SER CA C 100 60.410 60.410 58.904 1.506 17673 5399 1 15 . 1 1 20 20 SER CB C 100 62.350 62.350 64.366 -2.016 17673 5400 1 15 . 1 1 20 20 SER H H 100 8.127 8.127 8.332 -0.205 17673 5401 1 15 . 1 1 21 21 ARG N N 101 120.850 120.850 120.667 0.183 17673 5402 1 15 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.392 0.079 17673 5403 1 15 . 1 1 21 21 ARG C C 101 174.190 174.190 174.602 -0.412 17673 5404 1 15 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.406 0.604 17673 5405 1 15 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.859 0.141 17673 5406 1 15 . 1 1 21 21 ARG H H 101 8.097 8.097 8.081 0.016 17673 5407 1 15 . 1 1 22 22 PHE N N 102 118.370 118.370 119.202 -0.832 17673 5408 1 15 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.601 0.232 17673 5409 1 15 . 1 1 22 22 PHE C C 102 175.840 175.840 176.106 -0.266 17673 5410 1 15 . 1 1 22 22 PHE CA C 102 57.740 57.740 58.720 -0.980 17673 5411 1 15 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.581 2.439 17673 5412 1 15 . 1 1 22 22 PHE H H 102 8.400 8.400 7.801 0.599 17673 5413 1 15 . 1 1 23 23 TYR N N 103 119.450 119.450 121.006 -1.556 17673 5414 1 15 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.300 -0.160 17673 5415 1 15 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.527 0.183 17673 5416 1 15 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.390 -0.730 17673 5417 1 15 . 1 1 23 23 TYR H H 103 9.263 9.263 8.955 0.308 17673 5418 1 15 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.239 -0.211 17673 5419 1 15 . 1 1 24 24 PRO C C 104 175.500 175.500 175.859 -0.359 17673 5420 1 15 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.675 1.185 17673 5421 1 15 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.634 -0.034 17673 5422 1 15 . 1 1 25 25 ALA N N 105 124.530 124.530 122.352 2.178 17673 5423 1 15 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.882 0.916 17673 5424 1 15 . 1 1 25 25 ALA C C 105 174.470 174.470 174.611 -0.141 17673 5425 1 15 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.848 0.032 17673 5426 1 15 . 1 1 25 25 ALA CB C 105 23.400 23.400 21.778 1.622 17673 5427 1 15 . 1 1 25 25 ALA H H 105 9.121 9.121 8.488 0.633 17673 5428 1 15 . 1 1 26 26 LYS N N 106 117.940 117.940 118.138 -0.198 17673 5429 1 15 . 1 1 26 26 LYS HA H 106 5.217 5.217 5.175 0.042 17673 5430 1 15 . 1 1 26 26 LYS C C 106 176.420 176.420 175.971 0.449 17673 5431 1 15 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.016 -0.016 17673 5432 1 15 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.380 0.700 17673 5433 1 15 . 1 1 26 26 LYS H H 106 8.064 8.064 8.501 -0.437 17673 5434 1 15 . 1 1 27 27 VAL N N 107 123.950 123.950 123.474 0.476 17673 5435 1 15 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.191 -0.235 17673 5436 1 15 . 1 1 27 27 VAL C C 107 177.040 177.040 176.899 0.141 17673 5437 1 15 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.375 0.685 17673 5438 1 15 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.555 0.375 17673 5439 1 15 . 1 1 27 27 VAL H H 107 8.264 8.264 8.778 -0.514 17673 5440 1 15 . 1 1 28 28 THR N N 108 121.600 121.600 117.395 4.205 17673 5441 1 15 . 1 1 28 28 THR HA H 108 4.680 4.680 4.544 0.136 17673 5442 1 15 . 1 1 28 28 THR C C 108 175.270 175.270 174.377 0.893 17673 5443 1 15 . 1 1 28 28 THR CA C 108 62.180 62.180 61.636 0.544 17673 5444 1 15 . 1 1 28 28 THR CB C 108 68.940 68.940 70.376 -1.435 17673 5445 1 15 . 1 1 28 28 THR H H 108 9.633 9.633 8.984 0.649 17673 5446 1 15 . 1 1 29 29 ALA N N 109 123.390 123.390 123.795 -0.405 17673 5447 1 15 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.607 -0.168 17673 5448 1 15 . 1 1 29 29 ALA C C 109 174.910 174.910 174.859 0.051 17673 5449 1 15 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.808 1.602 17673 5450 1 15 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.310 0.905 17673 5451 1 15 . 1 1 29 29 ALA H H 109 8.058 8.058 7.846 0.212 17673 5452 1 15 . 1 1 30 30 VAL N N 110 123.310 123.310 119.114 4.196 17673 5453 1 15 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.118 -0.018 17673 5454 1 15 . 1 1 30 30 VAL C C 110 175.510 175.510 174.537 0.973 17673 5455 1 15 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.820 1.860 17673 5456 1 15 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.158 -2.428 17673 5457 1 15 . 1 1 30 30 VAL H H 110 8.541 8.541 8.238 0.303 17673 5458 1 15 . 1 1 31 31 ASN N N 111 123.230 123.230 123.551 -0.321 17673 5459 1 15 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.958 -0.021 17673 5460 1 15 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.200 0.895 17673 5461 1 15 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.583 -1.033 17673 5462 1 15 . 1 1 31 31 ASN H H 111 7.957 7.957 8.526 -0.569 17673 5463 1 15 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.899 0.285 17673 5464 1 15 . 1 1 32 32 LYS C C 112 176.120 176.120 177.057 -0.937 17673 5465 1 15 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.733 -0.423 17673 5466 1 15 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.409 -0.499 17673 5467 1 15 . 1 1 33 33 ASP N N 113 117.410 117.410 116.672 0.738 17673 5468 1 15 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.429 0.103 17673 5469 1 15 . 1 1 33 33 ASP C C 113 177.040 177.040 177.007 0.033 17673 5470 1 15 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.112 -2.225 17673 5471 1 15 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.089 -1.099 17673 5472 1 15 . 1 1 33 33 ASP H H 113 7.867 7.867 8.079 -0.212 17673 5473 1 15 . 1 1 34 34 GLY N N 114 107.300 107.300 105.886 1.414 17673 5474 1 15 . 1 1 34 34 GLY C C 114 174.640 174.640 173.442 1.198 17673 5475 1 15 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.877 0.913 17673 5476 1 15 . 1 1 34 34 GLY H H 114 7.944 7.944 8.077 -0.133 17673 5477 1 15 . 1 1 35 35 THR N N 115 108.940 108.940 112.170 -3.230 17673 5478 1 15 . 1 1 35 35 THR HA H 115 4.824 4.824 5.407 -0.583 17673 5479 1 15 . 1 1 35 35 THR C C 115 173.650 173.650 172.128 1.522 17673 5480 1 15 . 1 1 35 35 THR CA C 115 60.640 60.640 60.015 0.625 17673 5481 1 15 . 1 1 35 35 THR CB C 115 72.740 72.740 72.318 0.422 17673 5482 1 15 . 1 1 35 35 THR H H 115 7.381 7.381 7.861 -0.480 17673 5483 1 15 . 1 1 36 36 TYR N N 116 116.170 116.170 117.999 -1.829 17673 5484 1 15 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.914 0.261 17673 5485 1 15 . 1 1 36 36 TYR C C 116 175.890 175.890 174.276 1.614 17673 5486 1 15 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.770 -0.760 17673 5487 1 15 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.773 -1.603 17673 5488 1 15 . 1 1 36 36 TYR H H 116 9.058 9.058 9.388 -0.330 17673 5489 1 15 . 1 1 37 37 THR N N 117 120.780 120.780 118.639 2.141 17673 5490 1 15 . 1 1 37 37 THR HA H 117 5.116 5.116 5.394 -0.278 17673 5491 1 15 . 1 1 37 37 THR C C 117 173.990 173.990 173.408 0.582 17673 5492 1 15 . 1 1 37 37 THR CA C 117 63.060 63.060 61.286 1.774 17673 5493 1 15 . 1 1 37 37 THR CB C 117 69.255 69.255 70.844 -1.589 17673 5494 1 15 . 1 1 37 37 THR H H 117 9.035 9.035 8.959 0.076 17673 5495 1 15 . 1 1 38 38 VAL N N 118 120.000 120.000 118.967 1.033 17673 5496 1 15 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.027 0.222 17673 5497 1 15 . 1 1 38 38 VAL C C 118 172.390 172.390 173.155 -0.765 17673 5498 1 15 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.207 -1.467 17673 5499 1 15 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.637 -0.707 17673 5500 1 15 . 1 1 38 38 VAL H H 118 9.183 9.183 9.014 0.169 17673 5501 1 15 . 1 1 39 39 LYS N N 119 121.000 121.000 121.518 -0.518 17673 5502 1 15 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.200 -0.138 17673 5503 1 15 . 1 1 39 39 LYS C C 119 178.050 178.050 175.087 2.963 17673 5504 1 15 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.235 -0.025 17673 5505 1 15 . 1 1 39 39 LYS CB C 119 34.920 34.920 36.201 -1.281 17673 5506 1 15 . 1 1 39 39 LYS H H 119 8.802 8.802 8.714 0.088 17673 5507 1 15 . 1 1 40 40 PHE N N 120 127.480 127.480 124.988 2.492 17673 5508 1 15 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.321 0.425 17673 5509 1 15 . 1 1 40 40 PHE C C 120 178.110 178.110 176.744 1.366 17673 5510 1 15 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.129 2.481 17673 5511 1 15 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.130 1.910 17673 5512 1 15 . 1 1 40 40 PHE H H 120 9.634 9.634 9.193 0.441 17673 5513 1 15 . 1 1 41 41 TYR N N 121 119.600 119.600 122.822 -3.222 17673 5514 1 15 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.163 0.241 17673 5515 1 15 . 1 1 41 41 TYR C C 121 174.890 174.890 176.986 -2.096 17673 5516 1 15 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.869 -0.957 17673 5517 1 15 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.935 -0.495 17673 5518 1 15 . 1 1 41 41 TYR H H 121 8.679 8.679 8.140 0.539 17673 5519 1 15 . 1 1 42 42 ASP N N 122 117.780 117.780 117.473 0.307 17673 5520 1 15 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.512 -0.199 17673 5521 1 15 . 1 1 42 42 ASP C C 122 176.810 176.810 177.459 -0.649 17673 5522 1 15 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.083 -2.413 17673 5523 1 15 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.295 -2.585 17673 5524 1 15 . 1 1 42 42 ASP H H 122 7.128 7.128 7.979 -0.851 17673 5525 1 15 . 1 1 43 43 GLY N N 123 108.200 108.200 105.992 2.208 17673 5526 1 15 . 1 1 43 43 GLY C C 123 173.670 173.670 174.001 -0.331 17673 5527 1 15 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.771 0.479 17673 5528 1 15 . 1 1 43 43 GLY H H 123 8.242 8.242 8.143 0.099 17673 5529 1 15 . 1 1 44 44 VAL N N 124 121.320 121.320 122.291 -0.971 17673 5530 1 15 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.098 -0.255 17673 5531 1 15 . 1 1 44 44 VAL C C 124 174.610 174.610 175.374 -0.764 17673 5532 1 15 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.219 0.751 17673 5533 1 15 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.446 -0.206 17673 5534 1 15 . 1 1 44 44 VAL H H 124 6.877 6.877 7.958 -1.081 17673 5535 1 15 . 1 1 45 45 VAL N N 125 129.030 129.030 125.212 3.818 17673 5536 1 15 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.194 0.075 17673 5537 1 15 . 1 1 45 45 VAL C C 125 176.640 176.640 175.399 1.241 17673 5538 1 15 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.890 0.190 17673 5539 1 15 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.013 -1.593 17673 5540 1 15 . 1 1 45 45 VAL H H 125 8.529 8.529 8.444 0.085 17673 5541 1 15 . 1 1 46 46 GLN N N 126 125.880 125.880 124.609 1.271 17673 5542 1 15 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.852 -0.015 17673 5543 1 15 . 1 1 46 46 GLN C C 126 173.960 173.960 174.040 -0.080 17673 5544 1 15 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.261 0.379 17673 5545 1 15 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.344 2.336 17673 5546 1 15 . 1 1 46 46 GLN H H 126 8.989 8.989 8.991 -0.002 17673 5547 1 15 . 1 1 47 47 THR N N 127 121.970 121.970 118.756 3.214 17673 5548 1 15 . 1 1 47 47 THR HA H 127 5.347 5.347 5.519 -0.172 17673 5549 1 15 . 1 1 47 47 THR C C 127 174.500 174.500 174.301 0.199 17673 5550 1 15 . 1 1 47 47 THR CA C 127 62.730 62.730 61.738 0.992 17673 5551 1 15 . 1 1 47 47 THR CB C 127 69.540 69.540 69.828 -0.287 17673 5552 1 15 . 1 1 47 47 THR H H 127 8.912 8.912 8.540 0.372 17673 5553 1 15 . 1 1 48 48 VAL N N 128 121.810 121.810 119.930 1.880 17673 5554 1 15 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.036 -0.034 17673 5555 1 15 . 1 1 48 48 VAL C C 128 174.840 174.840 174.093 0.747 17673 5556 1 15 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.606 -0.556 17673 5557 1 15 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.596 0.244 17673 5558 1 15 . 1 1 48 48 VAL H H 128 9.513 9.513 9.366 0.147 17673 5559 1 15 . 1 1 49 49 LYS N N 129 121.050 121.050 118.762 2.288 17673 5560 1 15 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.964 -0.528 17673 5561 1 15 . 1 1 49 49 LYS C C 129 178.110 178.110 178.248 -0.138 17673 5562 1 15 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.047 2.063 17673 5563 1 15 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.098 0.072 17673 5564 1 15 . 1 1 49 49 LYS H H 129 9.021 9.021 8.813 0.208 17673 5565 1 15 . 1 1 50 50 HIS N N 130 119.600 119.600 120.902 -1.302 17673 5566 1 15 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.436 0.040 17673 5567 1 15 . 1 1 50 50 HIS C C 130 176.820 176.820 177.604 -0.784 17673 5568 1 15 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.563 0.787 17673 5569 1 15 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.225 0.235 17673 5570 1 15 . 1 1 50 50 HIS H H 130 8.679 8.679 8.796 -0.117 17673 5571 1 15 . 1 1 51 51 ILE N N 131 109.320 109.320 113.042 -3.722 17673 5572 1 15 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.697 0.563 17673 5573 1 15 . 1 1 51 51 ILE C C 131 176.350 176.350 175.653 0.697 17673 5574 1 15 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.626 0.084 17673 5575 1 15 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.881 1.179 17673 5576 1 15 . 1 1 51 51 ILE H H 131 6.790 6.790 8.244 -1.454 17673 5577 1 15 . 1 1 52 52 HIS N N 132 121.710 121.710 116.069 5.641 17673 5578 1 15 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.881 0.091 17673 5579 1 15 . 1 1 52 52 HIS C C 132 172.680 172.680 174.324 -1.644 17673 5580 1 15 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.928 -0.818 17673 5581 1 15 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.506 0.324 17673 5582 1 15 . 1 1 52 52 HIS H H 132 8.064 8.064 7.641 0.423 17673 5583 1 15 . 1 1 53 53 VAL N N 133 118.360 118.360 117.291 1.069 17673 5584 1 15 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.009 -0.005 17673 5585 1 15 . 1 1 53 53 VAL C C 133 173.990 173.990 173.807 0.183 17673 5586 1 15 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.716 0.584 17673 5587 1 15 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.978 -0.928 17673 5588 1 15 . 1 1 53 53 VAL H H 133 7.614 7.614 7.456 0.158 17673 5589 1 15 . 1 1 54 54 LYS N N 134 123.720 123.720 121.247 2.473 17673 5590 1 15 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.705 0.115 17673 5591 1 15 . 1 1 54 54 LYS C C 134 173.820 173.820 174.631 -0.811 17673 5592 1 15 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.431 0.789 17673 5593 1 15 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.732 0.898 17673 5594 1 15 . 1 1 54 54 LYS H H 134 9.207 9.207 8.721 0.486 17673 5595 1 15 . 1 1 55 55 ALA N N 135 121.610 121.610 120.991 0.619 17673 5596 1 15 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.907 0.529 17673 5597 1 15 . 1 1 55 55 ALA C C 135 177.670 177.670 177.316 0.354 17673 5598 1 15 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.577 -0.376 17673 5599 1 15 . 1 1 55 55 ALA CB C 135 19.110 19.110 19.117 -0.007 17673 5600 1 15 . 1 1 55 55 ALA H H 135 8.560 8.560 8.415 0.145 17673 5601 1 15 . 1 1 56 56 PHE N N 136 120.080 120.080 119.438 0.642 17673 5602 1 15 . 1 1 56 56 PHE HA H 136 4.263 4.263 3.958 0.305 17673 5603 1 15 . 1 1 56 56 PHE C C 136 175.380 175.380 175.761 -0.381 17673 5604 1 15 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.268 -0.408 17673 5605 1 15 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.013 1.137 17673 5606 1 15 . 1 1 56 56 PHE H H 136 8.680 8.680 7.361 1.319 17673 5607 1 15 . 1 1 57 57 SER N N 137 117.820 117.820 114.089 3.731 17673 5608 1 15 . 1 1 57 57 SER HA H 137 4.367 4.367 4.187 0.180 17673 5609 1 15 . 1 1 57 57 SER CA C 137 57.350 57.350 58.769 -1.419 17673 5610 1 15 . 1 1 57 57 SER CB C 137 64.220 64.220 63.565 0.655 17673 5611 1 15 . 1 1 57 57 SER H H 137 7.298 7.298 7.695 -0.397 17673 5612 1 15 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.772 0.406 17673 5613 1 15 . 1 1 58 58 LYS C C 138 176.260 176.260 177.440 -1.180 17673 5614 1 15 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.589 -1.849 17673 5615 1 15 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.323 0.477 17673 5616 1 15 . 1 1 59 59 ASP N N 139 120.500 120.500 119.084 1.416 17673 5617 1 15 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.370 0.155 17673 5618 1 15 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.035 -1.395 17673 5619 1 15 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.211 -0.231 17673 5620 1 15 . 1 1 59 59 ASP H H 139 8.245 8.245 8.524 -0.279 17673 5621 1 15 . 1 1 60 60 GLN N N 140 120.290 120.290 114.874 5.416 17673 5622 1 15 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.489 -0.242 17673 5623 1 15 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.608 1.452 17673 5624 1 15 . 1 1 60 60 GLN CB C 140 29.390 29.390 31.907 -2.517 17673 5625 1 15 . 1 1 60 60 GLN H H 140 8.212 8.212 8.114 0.098 17673 5626 1 15 . 1 1 61 61 ASN N N 141 121.710 121.710 118.236 3.474 17673 5627 1 15 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.798 -0.077 17673 5628 1 15 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.000 -0.921 17673 5629 1 15 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.777 -0.867 17673 5630 1 15 . 1 1 61 61 ASN H H 141 8.064 8.064 8.731 -0.667 17673 5631 1 15 . 1 1 62 62 ILE N N 142 120.890 120.890 119.937 0.953 17673 5632 1 15 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.309 -0.137 17673 5633 1 15 . 1 1 62 62 ILE C C 142 176.330 176.330 176.429 -0.099 17673 5634 1 15 . 1 1 62 62 ILE CA C 142 61.350 61.350 62.631 -1.281 17673 5635 1 15 . 1 1 62 62 ILE CB C 142 38.575 38.575 40.139 -1.564 17673 5636 1 15 . 1 1 62 62 ILE H H 142 8.010 8.010 8.963 -0.953 17673 5637 1 15 . 1 1 63 63 VAL N N 143 123.520 123.520 115.249 8.271 17673 5638 1 15 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.475 -0.367 17673 5639 1 15 . 1 1 63 63 VAL C C 143 176.740 176.740 177.514 -0.774 17673 5640 1 15 . 1 1 63 63 VAL CA C 143 62.710 62.710 62.181 0.529 17673 5641 1 15 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.212 -0.642 17673 5642 1 15 . 1 1 63 63 VAL H H 143 8.157 8.157 8.819 -0.662 17673 5643 1 15 . 1 1 64 64 GLY N N 144 112.060 112.060 110.518 1.542 17673 5644 1 15 . 1 1 64 64 GLY C C 144 173.940 173.940 174.056 -0.116 17673 5645 1 15 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.754 -1.274 17673 5646 1 15 . 1 1 64 64 GLY H H 144 8.408 8.408 8.811 -0.403 17673 5647 1 15 . 1 1 65 65 ASN N N 145 118.830 118.830 116.630 2.200 17673 5648 1 15 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.690 0.026 17673 5649 1 15 . 1 1 65 65 ASN C C 145 175.220 175.220 173.450 1.770 17673 5650 1 15 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.909 0.251 17673 5651 1 15 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.917 -1.917 17673 5652 1 15 . 1 1 65 65 ASN H H 145 8.305 8.305 7.674 0.631 17673 5653 1 15 . 1 1 66 66 ALA N N 146 124.400 124.400 126.607 -2.207 17673 5654 1 15 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.397 -0.057 17673 5655 1 15 . 1 1 66 66 ALA C C 146 177.870 177.870 176.987 0.883 17673 5656 1 15 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.373 0.647 17673 5657 1 15 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.035 0.055 17673 5658 1 15 . 1 1 66 66 ALA H H 146 8.341 8.341 8.742 -0.401 17673 5659 1 15 . 1 1 284 284 ALA N N 364 124.540 124.540 127.613 -3.073 17673 5660 1 15 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.724 -0.460 17673 5661 1 15 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.094 0.561 17673 5662 1 15 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.336 -2.206 17673 5663 1 15 . 1 1 284 284 ALA H H 364 8.267 8.267 8.656 -0.389 17673 5664 1 15 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.395 0.429 17673 5665 1 15 . 1 1 285 285 HIS H H 365 8.447 8.447 8.140 0.307 17673 5666 1 15 . 1 1 286 286 SER N N 366 117.450 117.450 113.093 4.357 17673 5667 1 15 . 1 1 286 286 SER HA H 366 4.460 4.460 4.425 0.035 17673 5668 1 15 . 1 1 286 286 SER CA C 366 58.330 58.330 57.120 1.210 17673 5669 1 15 . 1 1 286 286 SER CB C 366 64.030 64.030 64.797 -0.767 17673 5670 1 15 . 1 1 286 286 SER H H 366 8.287 8.287 7.814 0.473 17673 5671 1 15 . 1 1 287 287 SER N N 367 117.450 117.450 114.265 3.185 17673 5672 1 15 . 1 1 287 287 SER HA H 367 4.460 4.460 4.679 -0.219 17673 5673 1 15 . 1 1 287 287 SER CA C 367 58.330 58.330 58.089 0.241 17673 5674 1 15 . 1 1 287 287 SER CB C 367 64.030 64.030 63.689 0.341 17673 5675 1 15 . 1 1 287 287 SER H H 367 8.287 8.287 8.419 -0.132 17673 5676 1 15 . 1 1 292 292 LYS N N 372 123.390 123.390 121.505 1.885 17673 5677 1 15 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.488 -0.140 17673 5678 1 15 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.892 -0.252 17673 5679 1 15 . 1 1 292 292 LYS CB C 372 33.150 33.150 33.355 -0.205 17673 5680 1 15 . 1 1 292 292 LYS H H 372 8.416 8.416 8.099 0.317 17673 5681 1 15 . 1 1 293 293 LYS N N 373 123.390 123.390 121.218 2.172 17673 5682 1 15 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.127 0.221 17673 5683 1 15 . 1 1 293 293 LYS CA C 373 56.286 56.286 57.035 -0.749 17673 5684 1 15 . 1 1 293 293 LYS CB C 373 33.150 33.150 33.248 -0.098 17673 5685 1 15 . 1 1 293 293 LYS H H 373 8.416 8.416 8.074 0.342 17673 5686 1 16 . 1 1 5 5 SER HA H 85 4.436 4.436 4.168 0.268 17673 5687 1 16 . 1 1 5 5 SER C C 85 173.840 173.840 173.708 0.132 17673 5688 1 16 . 1 1 5 5 SER CA C 85 58.100 58.100 59.076 -0.976 17673 5689 1 16 . 1 1 5 5 SER CB C 85 64.010 64.010 63.084 0.926 17673 5690 1 16 . 1 1 6 6 GLU N N 86 122.440 122.440 119.412 3.028 17673 5691 1 16 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.382 -0.331 17673 5692 1 16 . 1 1 6 6 GLU C C 86 175.710 175.710 176.140 -0.430 17673 5693 1 16 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.884 1.235 17673 5694 1 16 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.826 -1.081 17673 5695 1 16 . 1 1 6 6 GLU H H 86 8.107 8.107 8.990 -0.883 17673 5696 1 16 . 1 1 7 7 PHE N N 87 118.700 118.700 116.393 2.307 17673 5697 1 16 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.099 0.774 17673 5698 1 16 . 1 1 7 7 PHE C C 87 174.600 174.600 174.591 0.009 17673 5699 1 16 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.916 -1.791 17673 5700 1 16 . 1 1 7 7 PHE CB C 87 40.769 40.769 35.928 4.841 17673 5701 1 16 . 1 1 7 7 PHE H H 87 7.598 7.598 8.435 -0.837 17673 5702 1 16 . 1 1 8 8 GLN N N 88 118.630 118.630 117.106 1.524 17673 5703 1 16 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.468 0.210 17673 5704 1 16 . 1 1 8 8 GLN C C 88 175.670 175.670 176.370 -0.700 17673 5705 1 16 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.760 -1.305 17673 5706 1 16 . 1 1 8 8 GLN CB C 88 31.900 31.900 29.966 1.934 17673 5707 1 16 . 1 1 8 8 GLN H H 88 8.906 8.906 7.883 1.023 17673 5708 1 16 . 1 1 9 9 ILE N N 89 118.880 118.880 120.302 -1.422 17673 5709 1 16 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.593 -0.197 17673 5710 1 16 . 1 1 9 9 ILE C C 89 177.130 177.130 176.510 0.620 17673 5711 1 16 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.814 -0.122 17673 5712 1 16 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.571 -0.141 17673 5713 1 16 . 1 1 9 9 ILE H H 89 8.384 8.384 8.283 0.101 17673 5714 1 16 . 1 1 10 10 ASN N N 90 119.090 119.090 118.418 0.672 17673 5715 1 16 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.319 -0.075 17673 5716 1 16 . 1 1 10 10 ASN C C 90 173.870 173.870 173.854 0.016 17673 5717 1 16 . 1 1 10 10 ASN CA C 90 55.690 55.690 55.039 0.651 17673 5718 1 16 . 1 1 10 10 ASN CB C 90 37.400 37.400 36.809 0.591 17673 5719 1 16 . 1 1 10 10 ASN H H 90 9.136 9.136 9.011 0.126 17673 5720 1 16 . 1 1 11 11 GLU N N 91 122.200 122.200 117.728 4.472 17673 5721 1 16 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.627 -0.423 17673 5722 1 16 . 1 1 11 11 GLU C C 91 176.040 176.040 175.056 0.984 17673 5723 1 16 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.869 2.831 17673 5724 1 16 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.407 -1.027 17673 5725 1 16 . 1 1 11 11 GLU H H 91 8.157 8.157 7.981 0.176 17673 5726 1 16 . 1 1 12 12 GLN N N 92 124.360 124.360 119.455 4.905 17673 5727 1 16 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.265 -0.431 17673 5728 1 16 . 1 1 12 12 GLN C C 92 174.920 174.920 175.965 -1.045 17673 5729 1 16 . 1 1 12 12 GLN CA C 92 55.726 55.726 55.347 0.379 17673 5730 1 16 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.892 -0.899 17673 5731 1 16 . 1 1 12 12 GLN H H 92 8.605 8.605 8.601 0.004 17673 5732 1 16 . 1 1 13 13 VAL N N 93 118.540 118.540 113.089 5.451 17673 5733 1 16 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.486 0.217 17673 5734 1 16 . 1 1 13 13 VAL C C 93 174.780 174.780 173.885 0.895 17673 5735 1 16 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.186 -0.653 17673 5736 1 16 . 1 1 13 13 VAL CB C 93 35.987 35.987 34.852 1.135 17673 5737 1 16 . 1 1 13 13 VAL H H 93 8.997 8.997 9.054 -0.057 17673 5738 1 16 . 1 1 14 14 LEU N N 94 118.610 118.610 120.729 -2.119 17673 5739 1 16 . 1 1 14 14 LEU HA H 94 5.002 5.002 4.932 0.070 17673 5740 1 16 . 1 1 14 14 LEU C C 94 175.290 175.290 175.179 0.111 17673 5741 1 16 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.563 0.295 17673 5742 1 16 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.760 1.898 17673 5743 1 16 . 1 1 14 14 LEU H H 94 8.618 8.618 8.678 -0.060 17673 5744 1 16 . 1 1 15 15 ALA N N 95 122.870 122.870 125.554 -2.684 17673 5745 1 16 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.296 0.569 17673 5746 1 16 . 1 1 15 15 ALA C C 95 176.220 176.220 176.595 -0.375 17673 5747 1 16 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.413 -0.463 17673 5748 1 16 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.894 0.246 17673 5749 1 16 . 1 1 15 15 ALA H H 95 9.335 9.335 9.264 0.071 17673 5750 1 16 . 1 1 16 16 SER N N 96 117.200 117.200 120.394 -3.194 17673 5751 1 16 . 1 1 16 16 SER HA H 96 4.520 4.520 4.702 -0.182 17673 5752 1 16 . 1 1 16 16 SER C C 96 174.250 174.250 174.547 -0.297 17673 5753 1 16 . 1 1 16 16 SER CA C 96 57.245 57.245 59.516 -2.271 17673 5754 1 16 . 1 1 16 16 SER CB C 96 63.974 63.974 63.627 0.347 17673 5755 1 16 . 1 1 16 16 SER H H 96 8.513 8.513 8.863 -0.350 17673 5756 1 16 . 1 1 17 17 TRP N N 97 125.340 125.340 130.282 -4.942 17673 5757 1 16 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.501 0.736 17673 5758 1 16 . 1 1 17 17 TRP C C 97 176.630 176.630 176.920 -0.290 17673 5759 1 16 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.629 -1.739 17673 5760 1 16 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.432 0.588 17673 5761 1 16 . 1 1 17 17 TRP H H 97 8.621 8.621 9.096 -0.475 17673 5762 1 16 . 1 1 18 18 SER N N 98 118.120 118.120 118.226 -0.106 17673 5763 1 16 . 1 1 18 18 SER HA H 98 3.912 3.912 3.949 -0.037 17673 5764 1 16 . 1 1 18 18 SER C C 98 173.650 173.650 175.095 -1.445 17673 5765 1 16 . 1 1 18 18 SER CA C 98 59.400 59.400 60.695 -1.295 17673 5766 1 16 . 1 1 18 18 SER CB C 98 62.330 62.330 62.806 -0.476 17673 5767 1 16 . 1 1 18 18 SER H H 98 6.530 6.530 8.137 -1.607 17673 5768 1 16 . 1 1 19 19 ASP N N 99 119.980 119.980 119.905 0.075 17673 5769 1 16 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.214 0.226 17673 5770 1 16 . 1 1 19 19 ASP C C 99 176.200 176.200 176.622 -0.422 17673 5771 1 16 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.970 -2.550 17673 5772 1 16 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.356 -1.166 17673 5773 1 16 . 1 1 19 19 ASP H H 99 7.834 7.834 7.607 0.227 17673 5774 1 16 . 1 1 20 20 SER N N 100 110.670 110.670 109.403 1.267 17673 5775 1 16 . 1 1 20 20 SER HA H 100 3.923 3.923 4.407 -0.484 17673 5776 1 16 . 1 1 20 20 SER C C 100 173.090 173.090 172.938 0.152 17673 5777 1 16 . 1 1 20 20 SER CA C 100 60.410 60.410 59.535 0.875 17673 5778 1 16 . 1 1 20 20 SER CB C 100 62.350 62.350 64.896 -2.546 17673 5779 1 16 . 1 1 20 20 SER H H 100 8.127 8.127 8.186 -0.059 17673 5780 1 16 . 1 1 21 21 ARG N N 101 120.850 120.850 119.541 1.309 17673 5781 1 16 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.628 -0.157 17673 5782 1 16 . 1 1 21 21 ARG C C 101 174.190 174.190 174.390 -0.200 17673 5783 1 16 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.145 0.865 17673 5784 1 16 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.967 0.033 17673 5785 1 16 . 1 1 21 21 ARG H H 101 8.097 8.097 7.783 0.314 17673 5786 1 16 . 1 1 22 22 PHE N N 102 118.370 118.370 118.719 -0.349 17673 5787 1 16 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.815 0.018 17673 5788 1 16 . 1 1 22 22 PHE C C 102 175.840 175.840 175.575 0.265 17673 5789 1 16 . 1 1 22 22 PHE CA C 102 57.740 57.740 57.005 0.735 17673 5790 1 16 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.583 2.437 17673 5791 1 16 . 1 1 22 22 PHE H H 102 8.400 8.400 8.108 0.292 17673 5792 1 16 . 1 1 23 23 TYR N N 103 119.450 119.450 119.428 0.022 17673 5793 1 16 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.330 -0.190 17673 5794 1 16 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.230 0.480 17673 5795 1 16 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.641 0.019 17673 5796 1 16 . 1 1 23 23 TYR H H 103 9.263 9.263 8.786 0.477 17673 5797 1 16 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.217 -0.189 17673 5798 1 16 . 1 1 24 24 PRO C C 104 175.500 175.500 175.811 -0.311 17673 5799 1 16 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.732 1.128 17673 5800 1 16 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.599 0.000 17673 5801 1 16 . 1 1 25 25 ALA N N 105 124.530 124.530 121.402 3.128 17673 5802 1 16 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.861 0.937 17673 5803 1 16 . 1 1 25 25 ALA C C 105 174.470 174.470 174.558 -0.088 17673 5804 1 16 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.719 0.161 17673 5805 1 16 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.456 0.944 17673 5806 1 16 . 1 1 25 25 ALA H H 105 9.121 9.121 8.828 0.293 17673 5807 1 16 . 1 1 26 26 LYS N N 106 117.940 117.940 121.086 -3.146 17673 5808 1 16 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.891 0.326 17673 5809 1 16 . 1 1 26 26 LYS C C 106 176.420 176.420 175.996 0.424 17673 5810 1 16 . 1 1 26 26 LYS CA C 106 54.000 54.000 55.168 -1.168 17673 5811 1 16 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.550 1.530 17673 5812 1 16 . 1 1 26 26 LYS H H 106 8.064 8.064 8.365 -0.301 17673 5813 1 16 . 1 1 27 27 VAL N N 107 123.950 123.950 127.575 -3.625 17673 5814 1 16 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.106 -0.150 17673 5815 1 16 . 1 1 27 27 VAL C C 107 177.040 177.040 176.776 0.264 17673 5816 1 16 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.921 0.139 17673 5817 1 16 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.673 0.257 17673 5818 1 16 . 1 1 27 27 VAL H H 107 8.264 8.264 8.990 -0.726 17673 5819 1 16 . 1 1 28 28 THR N N 108 121.600 121.600 118.896 2.704 17673 5820 1 16 . 1 1 28 28 THR HA H 108 4.680 4.680 4.474 0.206 17673 5821 1 16 . 1 1 28 28 THR C C 108 175.270 175.270 174.576 0.694 17673 5822 1 16 . 1 1 28 28 THR CA C 108 62.180 62.180 61.478 0.702 17673 5823 1 16 . 1 1 28 28 THR CB C 108 68.940 68.940 70.490 -1.550 17673 5824 1 16 . 1 1 28 28 THR H H 108 9.633 9.633 8.848 0.786 17673 5825 1 16 . 1 1 29 29 ALA N N 109 123.390 123.390 124.107 -0.717 17673 5826 1 16 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.660 -0.221 17673 5827 1 16 . 1 1 29 29 ALA C C 109 174.910 174.910 174.843 0.067 17673 5828 1 16 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.716 1.694 17673 5829 1 16 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.790 0.425 17673 5830 1 16 . 1 1 29 29 ALA H H 109 8.058 8.058 7.835 0.223 17673 5831 1 16 . 1 1 30 30 VAL N N 110 123.310 123.310 119.031 4.279 17673 5832 1 16 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.321 -0.221 17673 5833 1 16 . 1 1 30 30 VAL C C 110 175.510 175.510 174.352 1.158 17673 5834 1 16 . 1 1 30 30 VAL CA C 110 62.680 62.680 60.934 1.746 17673 5835 1 16 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.209 -2.479 17673 5836 1 16 . 1 1 30 30 VAL H H 110 8.541 8.541 8.268 0.273 17673 5837 1 16 . 1 1 31 31 ASN N N 111 123.230 123.230 123.343 -0.113 17673 5838 1 16 . 1 1 31 31 ASN HA H 111 4.937 4.937 5.029 -0.092 17673 5839 1 16 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.798 1.297 17673 5840 1 16 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.700 -1.150 17673 5841 1 16 . 1 1 31 31 ASN H H 111 7.957 7.957 8.654 -0.697 17673 5842 1 16 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.918 0.266 17673 5843 1 16 . 1 1 32 32 LYS C C 112 176.120 176.120 177.159 -1.039 17673 5844 1 16 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.459 -0.149 17673 5845 1 16 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.302 -0.392 17673 5846 1 16 . 1 1 33 33 ASP N N 113 117.410 117.410 116.691 0.719 17673 5847 1 16 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.469 0.063 17673 5848 1 16 . 1 1 33 33 ASP C C 113 177.040 177.040 177.101 -0.061 17673 5849 1 16 . 1 1 33 33 ASP CA C 113 52.887 52.887 54.955 -2.068 17673 5850 1 16 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.094 -1.104 17673 5851 1 16 . 1 1 33 33 ASP H H 113 7.867 7.867 8.122 -0.255 17673 5852 1 16 . 1 1 34 34 GLY N N 114 107.300 107.300 106.201 1.099 17673 5853 1 16 . 1 1 34 34 GLY C C 114 174.640 174.640 173.385 1.255 17673 5854 1 16 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.856 0.934 17673 5855 1 16 . 1 1 34 34 GLY H H 114 7.944 7.944 7.970 -0.026 17673 5856 1 16 . 1 1 35 35 THR N N 115 108.940 108.940 111.734 -2.794 17673 5857 1 16 . 1 1 35 35 THR HA H 115 4.824 4.824 5.355 -0.531 17673 5858 1 16 . 1 1 35 35 THR C C 115 173.650 173.650 172.475 1.175 17673 5859 1 16 . 1 1 35 35 THR CA C 115 60.640 60.640 59.697 0.943 17673 5860 1 16 . 1 1 35 35 THR CB C 115 72.740 72.740 71.941 0.799 17673 5861 1 16 . 1 1 35 35 THR H H 115 7.381 7.381 7.487 -0.106 17673 5862 1 16 . 1 1 36 36 TYR N N 116 116.170 116.170 118.193 -2.023 17673 5863 1 16 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.992 0.183 17673 5864 1 16 . 1 1 36 36 TYR C C 116 175.890 175.890 174.422 1.468 17673 5865 1 16 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.311 -0.301 17673 5866 1 16 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.825 -1.655 17673 5867 1 16 . 1 1 36 36 TYR H H 116 9.058 9.058 9.315 -0.257 17673 5868 1 16 . 1 1 37 37 THR N N 117 120.780 120.780 118.635 2.145 17673 5869 1 16 . 1 1 37 37 THR HA H 117 5.116 5.116 5.354 -0.238 17673 5870 1 16 . 1 1 37 37 THR C C 117 173.990 173.990 173.508 0.482 17673 5871 1 16 . 1 1 37 37 THR CA C 117 63.060 63.060 61.404 1.655 17673 5872 1 16 . 1 1 37 37 THR CB C 117 69.255 69.255 70.531 -1.276 17673 5873 1 16 . 1 1 37 37 THR H H 117 9.035 9.035 8.954 0.081 17673 5874 1 16 . 1 1 38 38 VAL N N 118 120.000 120.000 118.589 1.411 17673 5875 1 16 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.045 0.204 17673 5876 1 16 . 1 1 38 38 VAL C C 118 172.390 172.390 173.020 -0.630 17673 5877 1 16 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.158 -1.418 17673 5878 1 16 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.555 -0.625 17673 5879 1 16 . 1 1 38 38 VAL H H 118 9.183 9.183 8.976 0.207 17673 5880 1 16 . 1 1 39 39 LYS N N 119 121.000 121.000 122.309 -1.309 17673 5881 1 16 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.104 -0.042 17673 5882 1 16 . 1 1 39 39 LYS C C 119 178.050 178.050 175.207 2.843 17673 5883 1 16 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.143 0.067 17673 5884 1 16 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.859 -0.939 17673 5885 1 16 . 1 1 39 39 LYS H H 119 8.802 8.802 8.771 0.031 17673 5886 1 16 . 1 1 40 40 PHE N N 120 127.480 127.480 125.833 1.647 17673 5887 1 16 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.228 0.518 17673 5888 1 16 . 1 1 40 40 PHE C C 120 178.110 178.110 176.902 1.208 17673 5889 1 16 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.601 2.009 17673 5890 1 16 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.703 2.337 17673 5891 1 16 . 1 1 40 40 PHE H H 120 9.634 9.634 9.075 0.559 17673 5892 1 16 . 1 1 41 41 TYR N N 121 119.600 119.600 122.125 -2.525 17673 5893 1 16 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.256 0.148 17673 5894 1 16 . 1 1 41 41 TYR C C 121 174.890 174.890 176.520 -1.630 17673 5895 1 16 . 1 1 41 41 TYR CA C 121 59.912 59.912 59.946 -0.034 17673 5896 1 16 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.832 -0.392 17673 5897 1 16 . 1 1 41 41 TYR H H 121 8.679 8.679 8.125 0.554 17673 5898 1 16 . 1 1 42 42 ASP N N 122 117.780 117.780 118.154 -0.374 17673 5899 1 16 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.546 -0.233 17673 5900 1 16 . 1 1 42 42 ASP C C 122 176.810 176.810 177.118 -0.308 17673 5901 1 16 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.558 -1.888 17673 5902 1 16 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.498 -2.788 17673 5903 1 16 . 1 1 42 42 ASP H H 122 7.128 7.128 7.899 -0.771 17673 5904 1 16 . 1 1 43 43 GLY N N 123 108.200 108.200 107.194 1.006 17673 5905 1 16 . 1 1 43 43 GLY C C 123 173.670 173.670 173.732 -0.062 17673 5906 1 16 . 1 1 43 43 GLY CA C 123 45.250 45.250 45.054 0.196 17673 5907 1 16 . 1 1 43 43 GLY H H 123 8.242 8.242 7.925 0.317 17673 5908 1 16 . 1 1 44 44 VAL N N 124 121.320 121.320 119.662 1.658 17673 5909 1 16 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.552 -0.709 17673 5910 1 16 . 1 1 44 44 VAL C C 124 174.610 174.610 174.599 0.011 17673 5911 1 16 . 1 1 44 44 VAL CA C 124 63.970 63.970 61.229 2.741 17673 5912 1 16 . 1 1 44 44 VAL CB C 124 32.240 32.240 35.993 -3.753 17673 5913 1 16 . 1 1 44 44 VAL H H 124 6.877 6.877 7.734 -0.857 17673 5914 1 16 . 1 1 45 45 VAL N N 125 129.030 129.030 125.169 3.861 17673 5915 1 16 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.152 0.117 17673 5916 1 16 . 1 1 45 45 VAL C C 125 176.640 176.640 175.054 1.586 17673 5917 1 16 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.819 0.262 17673 5918 1 16 . 1 1 45 45 VAL CB C 125 33.420 33.420 35.186 -1.766 17673 5919 1 16 . 1 1 45 45 VAL H H 125 8.529 8.529 8.504 0.025 17673 5920 1 16 . 1 1 46 46 GLN N N 126 125.880 125.880 124.471 1.409 17673 5921 1 16 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.904 -0.067 17673 5922 1 16 . 1 1 46 46 GLN C C 126 173.960 173.960 174.148 -0.188 17673 5923 1 16 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.537 0.103 17673 5924 1 16 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.543 2.137 17673 5925 1 16 . 1 1 46 46 GLN H H 126 8.989 8.989 9.011 -0.022 17673 5926 1 16 . 1 1 47 47 THR N N 127 121.970 121.970 119.118 2.852 17673 5927 1 16 . 1 1 47 47 THR HA H 127 5.347 5.347 5.396 -0.049 17673 5928 1 16 . 1 1 47 47 THR C C 127 174.500 174.500 173.985 0.515 17673 5929 1 16 . 1 1 47 47 THR CA C 127 62.730 62.730 61.251 1.479 17673 5930 1 16 . 1 1 47 47 THR CB C 127 69.540 69.540 69.952 -0.412 17673 5931 1 16 . 1 1 47 47 THR H H 127 8.912 8.912 8.489 0.423 17673 5932 1 16 . 1 1 48 48 VAL N N 128 121.810 121.810 121.430 0.380 17673 5933 1 16 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.075 -0.073 17673 5934 1 16 . 1 1 48 48 VAL C C 128 174.840 174.840 174.098 0.742 17673 5935 1 16 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.654 -0.604 17673 5936 1 16 . 1 1 48 48 VAL CB C 128 35.840 35.840 34.992 0.848 17673 5937 1 16 . 1 1 48 48 VAL H H 128 9.513 9.513 9.304 0.209 17673 5938 1 16 . 1 1 49 49 LYS N N 129 121.050 121.050 119.038 2.012 17673 5939 1 16 . 1 1 49 49 LYS HA H 129 4.436 4.436 5.036 -0.600 17673 5940 1 16 . 1 1 49 49 LYS C C 129 178.110 178.110 178.312 -0.202 17673 5941 1 16 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.597 2.513 17673 5942 1 16 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.496 -0.326 17673 5943 1 16 . 1 1 49 49 LYS H H 129 9.021 9.021 8.715 0.306 17673 5944 1 16 . 1 1 50 50 HIS N N 130 119.600 119.600 120.755 -1.155 17673 5945 1 16 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.373 0.103 17673 5946 1 16 . 1 1 50 50 HIS C C 130 176.820 176.820 177.601 -0.781 17673 5947 1 16 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.460 0.890 17673 5948 1 16 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.221 0.239 17673 5949 1 16 . 1 1 50 50 HIS H H 130 8.679 8.679 8.431 0.248 17673 5950 1 16 . 1 1 51 51 ILE N N 131 109.320 109.320 113.290 -3.970 17673 5951 1 16 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.648 0.612 17673 5952 1 16 . 1 1 51 51 ILE C C 131 176.350 176.350 175.838 0.512 17673 5953 1 16 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.724 -0.014 17673 5954 1 16 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.771 1.289 17673 5955 1 16 . 1 1 51 51 ILE H H 131 6.790 6.790 8.098 -1.308 17673 5956 1 16 . 1 1 52 52 HIS N N 132 121.710 121.710 115.214 6.496 17673 5957 1 16 . 1 1 52 52 HIS HA H 132 4.972 4.972 5.004 -0.032 17673 5958 1 16 . 1 1 52 52 HIS C C 132 172.680 172.680 173.842 -1.162 17673 5959 1 16 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.855 -0.745 17673 5960 1 16 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.919 -0.089 17673 5961 1 16 . 1 1 52 52 HIS H H 132 8.064 8.064 7.693 0.371 17673 5962 1 16 . 1 1 53 53 VAL N N 133 118.360 118.360 118.129 0.231 17673 5963 1 16 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.789 0.215 17673 5964 1 16 . 1 1 53 53 VAL C C 133 173.990 173.990 173.682 0.308 17673 5965 1 16 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.845 0.455 17673 5966 1 16 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.159 -1.109 17673 5967 1 16 . 1 1 53 53 VAL H H 133 7.614 7.614 7.465 0.149 17673 5968 1 16 . 1 1 54 54 LYS N N 134 123.720 123.720 121.073 2.647 17673 5969 1 16 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.747 0.073 17673 5970 1 16 . 1 1 54 54 LYS C C 134 173.820 173.820 174.318 -0.498 17673 5971 1 16 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.532 0.688 17673 5972 1 16 . 1 1 54 54 LYS CB C 134 36.630 36.630 36.135 0.495 17673 5973 1 16 . 1 1 54 54 LYS H H 134 9.207 9.207 8.503 0.704 17673 5974 1 16 . 1 1 55 55 ALA N N 135 121.610 121.610 121.513 0.097 17673 5975 1 16 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.879 0.557 17673 5976 1 16 . 1 1 55 55 ALA C C 135 177.670 177.670 176.791 0.879 17673 5977 1 16 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.496 -0.296 17673 5978 1 16 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.705 0.405 17673 5979 1 16 . 1 1 55 55 ALA H H 135 8.560 8.560 8.171 0.389 17673 5980 1 16 . 1 1 56 56 PHE N N 136 120.080 120.080 119.477 0.603 17673 5981 1 16 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.122 0.141 17673 5982 1 16 . 1 1 56 56 PHE C C 136 175.380 175.380 175.815 -0.435 17673 5983 1 16 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.919 -0.059 17673 5984 1 16 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.404 0.746 17673 5985 1 16 . 1 1 56 56 PHE H H 136 8.680 8.680 8.167 0.513 17673 5986 1 16 . 1 1 57 57 SER N N 137 117.820 117.820 114.152 3.668 17673 5987 1 16 . 1 1 57 57 SER HA H 137 4.367 4.367 4.176 0.191 17673 5988 1 16 . 1 1 57 57 SER CA C 137 57.350 57.350 59.030 -1.680 17673 5989 1 16 . 1 1 57 57 SER CB C 137 64.220 64.220 63.247 0.973 17673 5990 1 16 . 1 1 57 57 SER H H 137 7.298 7.298 7.347 -0.049 17673 5991 1 16 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.775 0.403 17673 5992 1 16 . 1 1 58 58 LYS C C 138 176.260 176.260 177.802 -1.542 17673 5993 1 16 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.698 -2.958 17673 5994 1 16 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.630 0.170 17673 5995 1 16 . 1 1 59 59 ASP N N 139 120.500 120.500 116.152 4.348 17673 5996 1 16 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.472 0.053 17673 5997 1 16 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.940 -1.300 17673 5998 1 16 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.272 -0.292 17673 5999 1 16 . 1 1 59 59 ASP H H 139 8.245 8.245 8.508 -0.263 17673 6000 1 16 . 1 1 60 60 GLN N N 140 120.290 120.290 116.635 3.655 17673 6001 1 16 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.551 -0.304 17673 6002 1 16 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.869 1.191 17673 6003 1 16 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.125 -2.735 17673 6004 1 16 . 1 1 60 60 GLN H H 140 8.212 8.212 8.320 -0.108 17673 6005 1 16 . 1 1 61 61 ASN N N 141 121.710 121.710 117.854 3.856 17673 6006 1 16 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.650 0.071 17673 6007 1 16 . 1 1 61 61 ASN CA C 141 53.079 53.079 52.959 0.120 17673 6008 1 16 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.633 -0.723 17673 6009 1 16 . 1 1 61 61 ASN H H 141 8.064 8.064 8.566 -0.502 17673 6010 1 16 . 1 1 62 62 ILE N N 142 120.890 120.890 117.978 2.912 17673 6011 1 16 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.394 -0.222 17673 6012 1 16 . 1 1 62 62 ILE C C 142 176.330 176.330 175.744 0.586 17673 6013 1 16 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.689 0.661 17673 6014 1 16 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.062 -0.487 17673 6015 1 16 . 1 1 62 62 ILE H H 142 8.010 8.010 8.634 -0.624 17673 6016 1 16 . 1 1 63 63 VAL N N 143 123.520 123.520 117.992 5.528 17673 6017 1 16 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.249 -0.141 17673 6018 1 16 . 1 1 63 63 VAL C C 143 176.740 176.740 176.592 0.148 17673 6019 1 16 . 1 1 63 63 VAL CA C 143 62.710 62.710 60.206 2.505 17673 6020 1 16 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.292 -1.722 17673 6021 1 16 . 1 1 63 63 VAL H H 143 8.157 8.157 7.504 0.653 17673 6022 1 16 . 1 1 64 64 GLY N N 144 112.060 112.060 109.939 2.121 17673 6023 1 16 . 1 1 64 64 GLY C C 144 173.940 173.940 174.423 -0.483 17673 6024 1 16 . 1 1 64 64 GLY CA C 144 45.480 45.480 47.135 -1.655 17673 6025 1 16 . 1 1 64 64 GLY H H 144 8.408 8.408 8.572 -0.164 17673 6026 1 16 . 1 1 65 65 ASN N N 145 118.830 118.830 119.191 -0.361 17673 6027 1 16 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.759 -0.043 17673 6028 1 16 . 1 1 65 65 ASN C C 145 175.220 175.220 172.974 2.246 17673 6029 1 16 . 1 1 65 65 ASN CA C 145 53.160 53.160 53.435 -0.275 17673 6030 1 16 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.772 -1.772 17673 6031 1 16 . 1 1 65 65 ASN H H 145 8.305 8.305 8.022 0.283 17673 6032 1 16 . 1 1 66 66 ALA N N 146 124.400 124.400 121.336 3.064 17673 6033 1 16 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.566 -0.226 17673 6034 1 16 . 1 1 66 66 ALA C C 146 177.870 177.870 175.607 2.263 17673 6035 1 16 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.720 1.300 17673 6036 1 16 . 1 1 66 66 ALA CB C 146 19.090 19.090 20.652 -1.562 17673 6037 1 16 . 1 1 66 66 ALA H H 146 8.341 8.341 7.279 1.062 17673 6038 1 16 . 1 1 284 284 ALA N N 364 124.540 124.540 126.579 -2.039 17673 6039 1 16 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.810 -0.546 17673 6040 1 16 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.861 0.794 17673 6041 1 16 . 1 1 284 284 ALA CB C 364 19.130 19.130 21.494 -2.364 17673 6042 1 16 . 1 1 284 284 ALA H H 364 8.267 8.267 8.574 -0.307 17673 6043 1 16 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.958 -0.134 17673 6044 1 16 . 1 1 285 285 HIS H H 365 8.447 8.447 8.171 0.276 17673 6045 1 16 . 1 1 286 286 SER N N 366 117.450 117.450 114.508 2.942 17673 6046 1 16 . 1 1 286 286 SER HA H 366 4.460 4.460 4.534 -0.074 17673 6047 1 16 . 1 1 286 286 SER CA C 366 58.330 58.330 57.213 1.117 17673 6048 1 16 . 1 1 286 286 SER CB C 366 64.030 64.030 66.322 -2.292 17673 6049 1 16 . 1 1 286 286 SER H H 366 8.287 8.287 7.277 1.010 17673 6050 1 16 . 1 1 287 287 SER N N 367 117.450 117.450 114.910 2.540 17673 6051 1 16 . 1 1 287 287 SER HA H 367 4.460 4.460 4.716 -0.256 17673 6052 1 16 . 1 1 287 287 SER CA C 367 58.330 58.330 58.984 -0.654 17673 6053 1 16 . 1 1 287 287 SER CB C 367 64.030 64.030 63.576 0.454 17673 6054 1 16 . 1 1 287 287 SER H H 367 8.287 8.287 8.423 -0.136 17673 6055 1 16 . 1 1 292 292 LYS N N 372 123.390 123.390 121.767 1.623 17673 6056 1 16 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.450 -0.102 17673 6057 1 16 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.518 0.122 17673 6058 1 16 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.989 0.161 17673 6059 1 16 . 1 1 292 292 LYS H H 372 8.416 8.416 8.610 -0.194 17673 6060 1 16 . 1 1 293 293 LYS N N 373 123.390 123.390 119.303 4.087 17673 6061 1 16 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.536 -0.188 17673 6062 1 16 . 1 1 293 293 LYS CA C 373 56.286 56.286 55.545 0.741 17673 6063 1 16 . 1 1 293 293 LYS CB C 373 33.150 33.150 35.031 -1.881 17673 6064 1 16 . 1 1 293 293 LYS H H 373 8.416 8.416 7.634 0.782 17673 6065 1 17 . 1 1 5 5 SER HA H 85 4.436 4.436 4.499 -0.063 17673 6066 1 17 . 1 1 5 5 SER C C 85 173.840 173.840 173.165 0.675 17673 6067 1 17 . 1 1 5 5 SER CA C 85 58.100 58.100 57.918 0.182 17673 6068 1 17 . 1 1 5 5 SER CB C 85 64.010 64.010 64.036 -0.026 17673 6069 1 17 . 1 1 6 6 GLU N N 86 122.440 122.440 121.052 1.388 17673 6070 1 17 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.461 -0.410 17673 6071 1 17 . 1 1 6 6 GLU C C 86 175.710 175.710 175.470 0.240 17673 6072 1 17 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.864 1.255 17673 6073 1 17 . 1 1 6 6 GLU CB C 86 30.746 30.746 30.723 0.024 17673 6074 1 17 . 1 1 6 6 GLU H H 86 8.107 8.107 8.378 -0.271 17673 6075 1 17 . 1 1 7 7 PHE N N 87 118.700 118.700 116.848 1.852 17673 6076 1 17 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.232 0.641 17673 6077 1 17 . 1 1 7 7 PHE C C 87 174.600 174.600 173.994 0.606 17673 6078 1 17 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.312 -1.187 17673 6079 1 17 . 1 1 7 7 PHE CB C 87 40.769 40.769 36.998 3.771 17673 6080 1 17 . 1 1 7 7 PHE H H 87 7.598 7.598 7.412 0.186 17673 6081 1 17 . 1 1 8 8 GLN N N 88 118.630 118.630 117.156 1.474 17673 6082 1 17 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.481 0.197 17673 6083 1 17 . 1 1 8 8 GLN C C 88 175.670 175.670 176.568 -0.898 17673 6084 1 17 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.396 -0.941 17673 6085 1 17 . 1 1 8 8 GLN CB C 88 31.900 31.900 29.780 2.120 17673 6086 1 17 . 1 1 8 8 GLN H H 88 8.906 8.906 7.837 1.069 17673 6087 1 17 . 1 1 9 9 ILE N N 89 118.880 118.880 120.544 -1.664 17673 6088 1 17 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.586 -0.190 17673 6089 1 17 . 1 1 9 9 ILE C C 89 177.130 177.130 176.411 0.719 17673 6090 1 17 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.751 -0.058 17673 6091 1 17 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.594 -0.164 17673 6092 1 17 . 1 1 9 9 ILE H H 89 8.384 8.384 8.265 0.119 17673 6093 1 17 . 1 1 10 10 ASN N N 90 119.090 119.090 118.743 0.347 17673 6094 1 17 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.394 -0.150 17673 6095 1 17 . 1 1 10 10 ASN C C 90 173.870 173.870 174.036 -0.166 17673 6096 1 17 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.814 0.876 17673 6097 1 17 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.172 0.228 17673 6098 1 17 . 1 1 10 10 ASN H H 90 9.136 9.136 8.895 0.241 17673 6099 1 17 . 1 1 11 11 GLU N N 91 122.200 122.200 118.094 4.106 17673 6100 1 17 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.691 -0.487 17673 6101 1 17 . 1 1 11 11 GLU C C 91 176.040 176.040 175.403 0.637 17673 6102 1 17 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.677 3.023 17673 6103 1 17 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.052 -0.672 17673 6104 1 17 . 1 1 11 11 GLU H H 91 8.157 8.157 7.850 0.307 17673 6105 1 17 . 1 1 12 12 GLN N N 92 124.360 124.360 118.587 5.773 17673 6106 1 17 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.147 -0.313 17673 6107 1 17 . 1 1 12 12 GLN C C 92 174.920 174.920 176.733 -1.813 17673 6108 1 17 . 1 1 12 12 GLN CA C 92 55.726 55.726 55.551 0.175 17673 6109 1 17 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.384 -0.392 17673 6110 1 17 . 1 1 12 12 GLN H H 92 8.605 8.605 8.651 -0.046 17673 6111 1 17 . 1 1 13 13 VAL N N 93 118.540 118.540 114.040 4.500 17673 6112 1 17 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.434 0.269 17673 6113 1 17 . 1 1 13 13 VAL C C 93 174.780 174.780 174.207 0.573 17673 6114 1 17 . 1 1 13 13 VAL CA C 93 59.533 59.533 60.718 -1.185 17673 6115 1 17 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.244 0.743 17673 6116 1 17 . 1 1 13 13 VAL H H 93 8.997 8.997 9.100 -0.103 17673 6117 1 17 . 1 1 14 14 LEU N N 94 118.610 118.610 120.667 -2.057 17673 6118 1 17 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.306 -0.304 17673 6119 1 17 . 1 1 14 14 LEU C C 94 175.290 175.290 175.319 -0.029 17673 6120 1 17 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.696 0.162 17673 6121 1 17 . 1 1 14 14 LEU CB C 94 44.658 44.658 44.120 0.538 17673 6122 1 17 . 1 1 14 14 LEU H H 94 8.618 8.618 8.718 -0.100 17673 6123 1 17 . 1 1 15 15 ALA N N 95 122.870 122.870 126.176 -3.306 17673 6124 1 17 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.511 0.354 17673 6125 1 17 . 1 1 15 15 ALA C C 95 176.220 176.220 176.637 -0.417 17673 6126 1 17 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.258 -0.307 17673 6127 1 17 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.794 0.346 17673 6128 1 17 . 1 1 15 15 ALA H H 95 9.335 9.335 9.490 -0.155 17673 6129 1 17 . 1 1 16 16 SER N N 96 117.200 117.200 120.511 -3.311 17673 6130 1 17 . 1 1 16 16 SER HA H 96 4.520 4.520 4.541 -0.021 17673 6131 1 17 . 1 1 16 16 SER C C 96 174.250 174.250 174.035 0.215 17673 6132 1 17 . 1 1 16 16 SER CA C 96 57.245 57.245 59.441 -2.196 17673 6133 1 17 . 1 1 16 16 SER CB C 96 63.974 63.974 63.412 0.562 17673 6134 1 17 . 1 1 16 16 SER H H 96 8.513 8.513 8.806 -0.293 17673 6135 1 17 . 1 1 17 17 TRP N N 97 125.340 125.340 129.455 -4.115 17673 6136 1 17 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.782 0.455 17673 6137 1 17 . 1 1 17 17 TRP C C 97 176.630 176.630 177.383 -0.753 17673 6138 1 17 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.667 -1.777 17673 6139 1 17 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.810 0.210 17673 6140 1 17 . 1 1 17 17 TRP H H 97 8.621 8.621 9.042 -0.421 17673 6141 1 17 . 1 1 18 18 SER N N 98 118.120 118.120 118.163 -0.043 17673 6142 1 17 . 1 1 18 18 SER HA H 98 3.912 3.912 3.935 -0.023 17673 6143 1 17 . 1 1 18 18 SER C C 98 173.650 173.650 175.330 -1.680 17673 6144 1 17 . 1 1 18 18 SER CA C 98 59.400 59.400 60.590 -1.190 17673 6145 1 17 . 1 1 18 18 SER CB C 98 62.330 62.330 62.827 -0.497 17673 6146 1 17 . 1 1 18 18 SER H H 98 6.530 6.530 8.353 -1.823 17673 6147 1 17 . 1 1 19 19 ASP N N 99 119.980 119.980 118.394 1.586 17673 6148 1 17 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.208 0.232 17673 6149 1 17 . 1 1 19 19 ASP C C 99 176.200 176.200 176.622 -0.422 17673 6150 1 17 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.938 -2.518 17673 6151 1 17 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.371 -1.181 17673 6152 1 17 . 1 1 19 19 ASP H H 99 7.834 7.834 7.550 0.284 17673 6153 1 17 . 1 1 20 20 SER N N 100 110.670 110.670 109.201 1.469 17673 6154 1 17 . 1 1 20 20 SER HA H 100 3.923 3.923 4.425 -0.502 17673 6155 1 17 . 1 1 20 20 SER C C 100 173.090 173.090 173.611 -0.521 17673 6156 1 17 . 1 1 20 20 SER CA C 100 60.410 60.410 59.015 1.395 17673 6157 1 17 . 1 1 20 20 SER CB C 100 62.350 62.350 64.304 -1.954 17673 6158 1 17 . 1 1 20 20 SER H H 100 8.127 8.127 8.338 -0.211 17673 6159 1 17 . 1 1 21 21 ARG N N 101 120.850 120.850 120.681 0.169 17673 6160 1 17 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.418 0.053 17673 6161 1 17 . 1 1 21 21 ARG C C 101 174.190 174.190 174.725 -0.535 17673 6162 1 17 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.632 0.378 17673 6163 1 17 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.939 0.061 17673 6164 1 17 . 1 1 21 21 ARG H H 101 8.097 8.097 8.013 0.084 17673 6165 1 17 . 1 1 22 22 PHE N N 102 118.370 118.370 119.308 -0.938 17673 6166 1 17 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.618 0.215 17673 6167 1 17 . 1 1 22 22 PHE C C 102 175.840 175.840 175.903 -0.063 17673 6168 1 17 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.385 -1.645 17673 6169 1 17 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.768 2.252 17673 6170 1 17 . 1 1 22 22 PHE H H 102 8.400 8.400 7.900 0.500 17673 6171 1 17 . 1 1 23 23 TYR N N 103 119.450 119.450 121.635 -2.185 17673 6172 1 17 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.391 -0.251 17673 6173 1 17 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.555 0.155 17673 6174 1 17 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.949 -0.289 17673 6175 1 17 . 1 1 23 23 TYR H H 103 9.263 9.263 8.882 0.381 17673 6176 1 17 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.362 -0.334 17673 6177 1 17 . 1 1 24 24 PRO C C 104 175.500 175.500 175.977 -0.477 17673 6178 1 17 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.828 1.032 17673 6179 1 17 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.779 -0.179 17673 6180 1 17 . 1 1 25 25 ALA N N 105 124.530 124.530 121.591 2.939 17673 6181 1 17 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.932 0.866 17673 6182 1 17 . 1 1 25 25 ALA C C 105 174.470 174.470 174.499 -0.029 17673 6183 1 17 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.984 -0.104 17673 6184 1 17 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.262 1.138 17673 6185 1 17 . 1 1 25 25 ALA H H 105 9.121 9.121 8.750 0.371 17673 6186 1 17 . 1 1 26 26 LYS N N 106 117.940 117.940 120.142 -2.202 17673 6187 1 17 . 1 1 26 26 LYS HA H 106 5.217 5.217 5.059 0.158 17673 6188 1 17 . 1 1 26 26 LYS C C 106 176.420 176.420 176.154 0.266 17673 6189 1 17 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.305 -0.305 17673 6190 1 17 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.282 0.798 17673 6191 1 17 . 1 1 26 26 LYS H H 106 8.064 8.064 8.473 -0.409 17673 6192 1 17 . 1 1 27 27 VAL N N 107 123.950 123.950 127.437 -3.487 17673 6193 1 17 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.099 -0.143 17673 6194 1 17 . 1 1 27 27 VAL C C 107 177.040 177.040 176.931 0.109 17673 6195 1 17 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.620 0.440 17673 6196 1 17 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.309 0.621 17673 6197 1 17 . 1 1 27 27 VAL H H 107 8.264 8.264 9.012 -0.748 17673 6198 1 17 . 1 1 28 28 THR N N 108 121.600 121.600 117.440 4.160 17673 6199 1 17 . 1 1 28 28 THR HA H 108 4.680 4.680 4.474 0.206 17673 6200 1 17 . 1 1 28 28 THR C C 108 175.270 175.270 174.363 0.907 17673 6201 1 17 . 1 1 28 28 THR CA C 108 62.180 62.180 61.472 0.708 17673 6202 1 17 . 1 1 28 28 THR CB C 108 68.940 68.940 70.713 -1.773 17673 6203 1 17 . 1 1 28 28 THR H H 108 9.633 9.633 8.890 0.743 17673 6204 1 17 . 1 1 29 29 ALA N N 109 123.390 123.390 124.121 -0.731 17673 6205 1 17 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.530 -0.091 17673 6206 1 17 . 1 1 29 29 ALA C C 109 174.910 174.910 174.738 0.172 17673 6207 1 17 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.852 1.558 17673 6208 1 17 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.540 0.676 17673 6209 1 17 . 1 1 29 29 ALA H H 109 8.058 8.058 7.689 0.369 17673 6210 1 17 . 1 1 30 30 VAL N N 110 123.310 123.310 118.989 4.321 17673 6211 1 17 . 1 1 30 30 VAL HA H 110 4.100 4.100 3.833 0.267 17673 6212 1 17 . 1 1 30 30 VAL C C 110 175.510 175.510 174.317 1.193 17673 6213 1 17 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.086 1.594 17673 6214 1 17 . 1 1 30 30 VAL CB C 110 32.730 32.730 34.758 -2.028 17673 6215 1 17 . 1 1 30 30 VAL H H 110 8.541 8.541 8.167 0.374 17673 6216 1 17 . 1 1 31 31 ASN N N 111 123.230 123.230 125.122 -1.892 17673 6217 1 17 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.945 -0.008 17673 6218 1 17 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.910 1.185 17673 6219 1 17 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.263 -0.713 17673 6220 1 17 . 1 1 31 31 ASN H H 111 7.957 7.957 8.602 -0.645 17673 6221 1 17 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.962 0.222 17673 6222 1 17 . 1 1 32 32 LYS C C 112 176.120 176.120 177.234 -1.114 17673 6223 1 17 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.185 0.125 17673 6224 1 17 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.306 -0.396 17673 6225 1 17 . 1 1 33 33 ASP N N 113 117.410 117.410 116.595 0.815 17673 6226 1 17 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.451 0.081 17673 6227 1 17 . 1 1 33 33 ASP C C 113 177.040 177.040 177.175 -0.135 17673 6228 1 17 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.089 -2.202 17673 6229 1 17 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.078 -1.088 17673 6230 1 17 . 1 1 33 33 ASP H H 113 7.867 7.867 8.085 -0.218 17673 6231 1 17 . 1 1 34 34 GLY N N 114 107.300 107.300 105.646 1.654 17673 6232 1 17 . 1 1 34 34 GLY C C 114 174.640 174.640 173.558 1.082 17673 6233 1 17 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.859 0.931 17673 6234 1 17 . 1 1 34 34 GLY H H 114 7.944 7.944 8.062 -0.118 17673 6235 1 17 . 1 1 35 35 THR N N 115 108.940 108.940 112.181 -3.241 17673 6236 1 17 . 1 1 35 35 THR HA H 115 4.824 4.824 5.400 -0.576 17673 6237 1 17 . 1 1 35 35 THR C C 115 173.650 173.650 172.135 1.515 17673 6238 1 17 . 1 1 35 35 THR CA C 115 60.640 60.640 59.788 0.852 17673 6239 1 17 . 1 1 35 35 THR CB C 115 72.740 72.740 72.297 0.443 17673 6240 1 17 . 1 1 35 35 THR H H 115 7.381 7.381 7.766 -0.385 17673 6241 1 17 . 1 1 36 36 TYR N N 116 116.170 116.170 119.006 -2.836 17673 6242 1 17 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.795 0.381 17673 6243 1 17 . 1 1 36 36 TYR C C 116 175.890 175.890 173.612 2.278 17673 6244 1 17 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.621 -0.611 17673 6245 1 17 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.484 -1.314 17673 6246 1 17 . 1 1 36 36 TYR H H 116 9.058 9.058 9.332 -0.274 17673 6247 1 17 . 1 1 37 37 THR N N 117 120.780 120.780 120.292 0.488 17673 6248 1 17 . 1 1 37 37 THR HA H 117 5.116 5.116 5.447 -0.331 17673 6249 1 17 . 1 1 37 37 THR C C 117 173.990 173.990 173.143 0.847 17673 6250 1 17 . 1 1 37 37 THR CA C 117 63.060 63.060 60.971 2.089 17673 6251 1 17 . 1 1 37 37 THR CB C 117 69.255 69.255 71.208 -1.953 17673 6252 1 17 . 1 1 37 37 THR H H 117 9.035 9.035 8.880 0.155 17673 6253 1 17 . 1 1 38 38 VAL N N 118 120.000 120.000 119.922 0.078 17673 6254 1 17 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.155 0.094 17673 6255 1 17 . 1 1 38 38 VAL C C 118 172.390 172.390 173.089 -0.699 17673 6256 1 17 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.431 -1.691 17673 6257 1 17 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.787 -0.857 17673 6258 1 17 . 1 1 38 38 VAL H H 118 9.183 9.183 9.006 0.177 17673 6259 1 17 . 1 1 39 39 LYS N N 119 121.000 121.000 121.194 -0.194 17673 6260 1 17 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.084 -0.022 17673 6261 1 17 . 1 1 39 39 LYS C C 119 178.050 178.050 175.104 2.946 17673 6262 1 17 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.330 -0.120 17673 6263 1 17 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.825 -0.905 17673 6264 1 17 . 1 1 39 39 LYS H H 119 8.802 8.802 8.681 0.121 17673 6265 1 17 . 1 1 40 40 PHE N N 120 127.480 127.480 125.350 2.130 17673 6266 1 17 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.342 0.404 17673 6267 1 17 . 1 1 40 40 PHE C C 120 178.110 178.110 176.931 1.179 17673 6268 1 17 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.480 2.131 17673 6269 1 17 . 1 1 40 40 PHE CB C 120 42.040 42.040 40.009 2.031 17673 6270 1 17 . 1 1 40 40 PHE H H 120 9.634 9.634 9.117 0.517 17673 6271 1 17 . 1 1 41 41 TYR N N 121 119.600 119.600 122.359 -2.759 17673 6272 1 17 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.233 0.171 17673 6273 1 17 . 1 1 41 41 TYR C C 121 174.890 174.890 176.883 -1.993 17673 6274 1 17 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.819 -0.907 17673 6275 1 17 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.041 -0.601 17673 6276 1 17 . 1 1 41 41 TYR H H 121 8.679 8.679 8.298 0.381 17673 6277 1 17 . 1 1 42 42 ASP N N 122 117.780 117.780 117.432 0.348 17673 6278 1 17 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.525 -0.212 17673 6279 1 17 . 1 1 42 42 ASP C C 122 176.810 176.810 177.392 -0.582 17673 6280 1 17 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.984 -2.314 17673 6281 1 17 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.239 -2.529 17673 6282 1 17 . 1 1 42 42 ASP H H 122 7.128 7.128 8.006 -0.878 17673 6283 1 17 . 1 1 43 43 GLY N N 123 108.200 108.200 106.359 1.841 17673 6284 1 17 . 1 1 43 43 GLY C C 123 173.670 173.670 174.303 -0.633 17673 6285 1 17 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.749 0.501 17673 6286 1 17 . 1 1 43 43 GLY H H 123 8.242 8.242 7.882 0.360 17673 6287 1 17 . 1 1 44 44 VAL N N 124 121.320 121.320 121.384 -0.064 17673 6288 1 17 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.119 -0.276 17673 6289 1 17 . 1 1 44 44 VAL C C 124 174.610 174.610 175.294 -0.684 17673 6290 1 17 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.953 1.017 17673 6291 1 17 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.660 -0.420 17673 6292 1 17 . 1 1 44 44 VAL H H 124 6.877 6.877 7.754 -0.877 17673 6293 1 17 . 1 1 45 45 VAL N N 125 129.030 129.030 124.240 4.790 17673 6294 1 17 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.081 0.188 17673 6295 1 17 . 1 1 45 45 VAL C C 125 176.640 176.640 175.207 1.433 17673 6296 1 17 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.770 0.310 17673 6297 1 17 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.546 -1.126 17673 6298 1 17 . 1 1 45 45 VAL H H 125 8.529 8.529 8.398 0.131 17673 6299 1 17 . 1 1 46 46 GLN N N 126 125.880 125.880 124.963 0.917 17673 6300 1 17 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.897 -0.060 17673 6301 1 17 . 1 1 46 46 GLN C C 126 173.960 173.960 174.145 -0.185 17673 6302 1 17 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.435 0.204 17673 6303 1 17 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.333 2.347 17673 6304 1 17 . 1 1 46 46 GLN H H 126 8.989 8.989 9.058 -0.069 17673 6305 1 17 . 1 1 47 47 THR N N 127 121.970 121.970 118.521 3.449 17673 6306 1 17 . 1 1 47 47 THR HA H 127 5.347 5.347 5.505 -0.158 17673 6307 1 17 . 1 1 47 47 THR C C 127 174.500 174.500 174.198 0.302 17673 6308 1 17 . 1 1 47 47 THR CA C 127 62.730 62.730 61.332 1.398 17673 6309 1 17 . 1 1 47 47 THR CB C 127 69.540 69.540 69.920 -0.380 17673 6310 1 17 . 1 1 47 47 THR H H 127 8.912 8.912 8.493 0.419 17673 6311 1 17 . 1 1 48 48 VAL N N 128 121.810 121.810 121.312 0.498 17673 6312 1 17 . 1 1 48 48 VAL HA H 128 5.002 5.002 4.979 0.023 17673 6313 1 17 . 1 1 48 48 VAL C C 128 174.840 174.840 174.213 0.627 17673 6314 1 17 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.592 -0.542 17673 6315 1 17 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.681 0.159 17673 6316 1 17 . 1 1 48 48 VAL H H 128 9.513 9.513 9.235 0.278 17673 6317 1 17 . 1 1 49 49 LYS N N 129 121.050 121.050 119.199 1.851 17673 6318 1 17 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.775 -0.339 17673 6319 1 17 . 1 1 49 49 LYS C C 129 178.110 178.110 178.380 -0.270 17673 6320 1 17 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.810 1.300 17673 6321 1 17 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.167 1.003 17673 6322 1 17 . 1 1 49 49 LYS H H 129 9.021 9.021 8.708 0.313 17673 6323 1 17 . 1 1 50 50 HIS N N 130 119.600 119.600 121.320 -1.720 17673 6324 1 17 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.371 0.105 17673 6325 1 17 . 1 1 50 50 HIS C C 130 176.820 176.820 177.463 -0.643 17673 6326 1 17 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.558 0.792 17673 6327 1 17 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.172 0.288 17673 6328 1 17 . 1 1 50 50 HIS H H 130 8.679 8.679 8.650 0.029 17673 6329 1 17 . 1 1 51 51 ILE N N 131 109.320 109.320 113.378 -4.058 17673 6330 1 17 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.672 0.588 17673 6331 1 17 . 1 1 51 51 ILE C C 131 176.350 176.350 175.916 0.434 17673 6332 1 17 . 1 1 51 51 ILE CA C 131 62.710 62.710 63.000 -0.290 17673 6333 1 17 . 1 1 51 51 ILE CB C 131 38.060 38.060 37.065 0.996 17673 6334 1 17 . 1 1 51 51 ILE H H 131 6.790 6.790 8.255 -1.465 17673 6335 1 17 . 1 1 52 52 HIS N N 132 121.710 121.710 116.592 5.118 17673 6336 1 17 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.706 0.266 17673 6337 1 17 . 1 1 52 52 HIS C C 132 172.680 172.680 174.476 -1.796 17673 6338 1 17 . 1 1 52 52 HIS CA C 132 55.110 55.110 56.523 -1.413 17673 6339 1 17 . 1 1 52 52 HIS CB C 132 31.830 31.830 30.778 1.052 17673 6340 1 17 . 1 1 52 52 HIS H H 132 8.064 8.064 7.473 0.591 17673 6341 1 17 . 1 1 53 53 VAL N N 133 118.360 118.360 116.729 1.631 17673 6342 1 17 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.992 0.012 17673 6343 1 17 . 1 1 53 53 VAL C C 133 173.990 173.990 174.038 -0.048 17673 6344 1 17 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.566 0.734 17673 6345 1 17 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.924 -0.874 17673 6346 1 17 . 1 1 53 53 VAL H H 133 7.614 7.614 7.492 0.122 17673 6347 1 17 . 1 1 54 54 LYS N N 134 123.720 123.720 120.468 3.252 17673 6348 1 17 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.656 0.164 17673 6349 1 17 . 1 1 54 54 LYS C C 134 173.820 173.820 174.294 -0.474 17673 6350 1 17 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.758 0.462 17673 6351 1 17 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.099 1.531 17673 6352 1 17 . 1 1 54 54 LYS H H 134 9.207 9.207 8.690 0.517 17673 6353 1 17 . 1 1 55 55 ALA N N 135 121.610 121.610 121.259 0.351 17673 6354 1 17 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.951 0.485 17673 6355 1 17 . 1 1 55 55 ALA C C 135 177.670 177.670 177.242 0.428 17673 6356 1 17 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.738 -0.538 17673 6357 1 17 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.485 0.625 17673 6358 1 17 . 1 1 55 55 ALA H H 135 8.560 8.560 8.286 0.274 17673 6359 1 17 . 1 1 56 56 PHE N N 136 120.080 120.080 119.434 0.646 17673 6360 1 17 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.170 0.093 17673 6361 1 17 . 1 1 56 56 PHE C C 136 175.380 175.380 175.298 0.082 17673 6362 1 17 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.496 0.364 17673 6363 1 17 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.308 0.842 17673 6364 1 17 . 1 1 56 56 PHE H H 136 8.680 8.680 8.019 0.661 17673 6365 1 17 . 1 1 57 57 SER N N 137 117.820 117.820 114.304 3.516 17673 6366 1 17 . 1 1 57 57 SER HA H 137 4.367 4.367 4.309 0.058 17673 6367 1 17 . 1 1 57 57 SER CA C 137 57.350 57.350 59.644 -2.294 17673 6368 1 17 . 1 1 57 57 SER CB C 137 64.220 64.220 63.538 0.681 17673 6369 1 17 . 1 1 57 57 SER H H 137 7.298 7.298 7.009 0.289 17673 6370 1 17 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.512 0.666 17673 6371 1 17 . 1 1 58 58 LYS C C 138 176.260 176.260 177.848 -1.588 17673 6372 1 17 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.655 -2.915 17673 6373 1 17 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.687 0.113 17673 6374 1 17 . 1 1 59 59 ASP N N 139 120.500 120.500 117.370 3.130 17673 6375 1 17 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.321 0.204 17673 6376 1 17 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.038 -1.398 17673 6377 1 17 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.516 -0.536 17673 6378 1 17 . 1 1 59 59 ASP H H 139 8.245 8.245 8.398 -0.153 17673 6379 1 17 . 1 1 60 60 GLN N N 140 120.290 120.290 114.727 5.563 17673 6380 1 17 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.360 -0.113 17673 6381 1 17 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.778 1.282 17673 6382 1 17 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.281 -2.891 17673 6383 1 17 . 1 1 60 60 GLN H H 140 8.212 8.212 7.729 0.483 17673 6384 1 17 . 1 1 61 61 ASN N N 141 121.710 121.710 117.407 4.303 17673 6385 1 17 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.646 0.075 17673 6386 1 17 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.691 -0.612 17673 6387 1 17 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.509 -0.599 17673 6388 1 17 . 1 1 61 61 ASN H H 141 8.064 8.064 8.665 -0.601 17673 6389 1 17 . 1 1 62 62 ILE N N 142 120.890 120.890 118.850 2.040 17673 6390 1 17 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.345 -0.173 17673 6391 1 17 . 1 1 62 62 ILE C C 142 176.330 176.330 175.944 0.386 17673 6392 1 17 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.504 -0.154 17673 6393 1 17 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.846 -0.272 17673 6394 1 17 . 1 1 62 62 ILE H H 142 8.010 8.010 8.678 -0.668 17673 6395 1 17 . 1 1 63 63 VAL N N 143 123.520 123.520 119.330 4.190 17673 6396 1 17 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.263 -0.155 17673 6397 1 17 . 1 1 63 63 VAL C C 143 176.740 176.740 177.352 -0.612 17673 6398 1 17 . 1 1 63 63 VAL CA C 143 62.710 62.710 62.957 -0.247 17673 6399 1 17 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.616 -1.046 17673 6400 1 17 . 1 1 63 63 VAL H H 143 8.157 8.157 8.719 -0.562 17673 6401 1 17 . 1 1 64 64 GLY N N 144 112.060 112.060 110.176 1.884 17673 6402 1 17 . 1 1 64 64 GLY C C 144 173.940 173.940 174.267 -0.327 17673 6403 1 17 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.050 -0.570 17673 6404 1 17 . 1 1 64 64 GLY H H 144 8.408 8.408 8.468 -0.060 17673 6405 1 17 . 1 1 65 65 ASN N N 145 118.830 118.830 117.997 0.833 17673 6406 1 17 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.686 0.030 17673 6407 1 17 . 1 1 65 65 ASN C C 145 175.220 175.220 173.397 1.823 17673 6408 1 17 . 1 1 65 65 ASN CA C 145 53.160 53.160 53.062 0.098 17673 6409 1 17 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.381 -1.381 17673 6410 1 17 . 1 1 65 65 ASN H H 145 8.305 8.305 8.097 0.208 17673 6411 1 17 . 1 1 66 66 ALA N N 146 124.400 124.400 125.964 -1.564 17673 6412 1 17 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.439 -0.099 17673 6413 1 17 . 1 1 66 66 ALA C C 146 177.870 177.870 177.045 0.825 17673 6414 1 17 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.546 0.474 17673 6415 1 17 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.584 -0.494 17673 6416 1 17 . 1 1 66 66 ALA H H 146 8.341 8.341 8.512 -0.171 17673 6417 1 17 . 1 1 284 284 ALA N N 364 124.540 124.540 125.882 -1.342 17673 6418 1 17 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.354 -0.090 17673 6419 1 17 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.700 -0.045 17673 6420 1 17 . 1 1 284 284 ALA CB C 364 19.130 19.130 19.609 -0.479 17673 6421 1 17 . 1 1 284 284 ALA H H 364 8.267 8.267 8.500 -0.233 17673 6422 1 17 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.293 0.531 17673 6423 1 17 . 1 1 285 285 HIS H H 365 8.447 8.447 7.775 0.672 17673 6424 1 17 . 1 1 286 286 SER N N 366 117.450 117.450 113.252 4.198 17673 6425 1 17 . 1 1 286 286 SER HA H 366 4.460 4.460 4.563 -0.103 17673 6426 1 17 . 1 1 286 286 SER CA C 366 58.330 58.330 57.764 0.566 17673 6427 1 17 . 1 1 286 286 SER CB C 366 64.030 64.030 65.147 -1.117 17673 6428 1 17 . 1 1 286 286 SER H H 366 8.287 8.287 7.917 0.370 17673 6429 1 17 . 1 1 287 287 SER N N 367 117.450 117.450 116.404 1.046 17673 6430 1 17 . 1 1 287 287 SER HA H 367 4.460 4.460 4.421 0.039 17673 6431 1 17 . 1 1 287 287 SER CA C 367 58.330 58.330 57.226 1.104 17673 6432 1 17 . 1 1 287 287 SER CB C 367 64.030 64.030 64.361 -0.331 17673 6433 1 17 . 1 1 287 287 SER H H 367 8.287 8.287 6.357 1.930 17673 6434 1 17 . 1 1 292 292 LYS N N 372 123.390 123.390 123.521 -0.131 17673 6435 1 17 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.145 0.203 17673 6436 1 17 . 1 1 292 292 LYS CA C 372 56.640 56.640 57.803 -1.163 17673 6437 1 17 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.574 0.576 17673 6438 1 17 . 1 1 292 292 LYS H H 372 8.416 8.416 8.263 0.153 17673 6439 1 17 . 1 1 293 293 LYS N N 373 123.390 123.390 118.454 4.936 17673 6440 1 17 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.105 0.243 17673 6441 1 17 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.157 0.129 17673 6442 1 17 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.142 1.008 17673 6443 1 17 . 1 1 293 293 LYS H H 373 8.416 8.416 8.138 0.278 17673 6444 1 18 . 1 1 5 5 SER HA H 85 4.436 4.436 4.465 -0.029 17673 6445 1 18 . 1 1 5 5 SER C C 85 173.840 173.840 173.948 -0.108 17673 6446 1 18 . 1 1 5 5 SER CA C 85 58.100 58.100 57.667 0.433 17673 6447 1 18 . 1 1 5 5 SER CB C 85 64.010 64.010 63.530 0.480 17673 6448 1 18 . 1 1 6 6 GLU N N 86 122.440 122.440 118.990 3.450 17673 6449 1 18 . 1 1 6 6 GLU HA H 86 4.051 4.051 3.710 0.341 17673 6450 1 18 . 1 1 6 6 GLU C C 86 175.710 175.710 175.928 -0.218 17673 6451 1 18 . 1 1 6 6 GLU CA C 86 57.119 57.119 58.708 -1.589 17673 6452 1 18 . 1 1 6 6 GLU CB C 86 30.746 30.746 28.548 2.198 17673 6453 1 18 . 1 1 6 6 GLU H H 86 8.107 8.107 8.360 -0.253 17673 6454 1 18 . 1 1 7 7 PHE N N 87 118.700 118.700 113.396 5.304 17673 6455 1 18 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.231 0.642 17673 6456 1 18 . 1 1 7 7 PHE C C 87 174.600 174.600 175.101 -0.501 17673 6457 1 18 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.601 -1.476 17673 6458 1 18 . 1 1 7 7 PHE CB C 87 40.769 40.769 35.745 5.024 17673 6459 1 18 . 1 1 7 7 PHE H H 87 7.598 7.598 7.867 -0.269 17673 6460 1 18 . 1 1 8 8 GLN N N 88 118.630 118.630 117.177 1.453 17673 6461 1 18 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.490 0.188 17673 6462 1 18 . 1 1 8 8 GLN C C 88 175.670 175.670 176.067 -0.397 17673 6463 1 18 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.617 -1.162 17673 6464 1 18 . 1 1 8 8 GLN CB C 88 31.900 31.900 30.674 1.226 17673 6465 1 18 . 1 1 8 8 GLN H H 88 8.906 8.906 7.791 1.115 17673 6466 1 18 . 1 1 9 9 ILE N N 89 118.880 118.880 120.270 -1.390 17673 6467 1 18 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.586 -0.190 17673 6468 1 18 . 1 1 9 9 ILE C C 89 177.130 177.130 176.238 0.892 17673 6469 1 18 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.814 -0.122 17673 6470 1 18 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.249 0.181 17673 6471 1 18 . 1 1 9 9 ILE H H 89 8.384 8.384 8.303 0.081 17673 6472 1 18 . 1 1 10 10 ASN N N 90 119.090 119.090 119.261 -0.171 17673 6473 1 18 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.381 -0.137 17673 6474 1 18 . 1 1 10 10 ASN C C 90 173.870 173.870 173.924 -0.054 17673 6475 1 18 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.688 1.002 17673 6476 1 18 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.094 0.306 17673 6477 1 18 . 1 1 10 10 ASN H H 90 9.136 9.136 8.962 0.174 17673 6478 1 18 . 1 1 11 11 GLU N N 91 122.200 122.200 117.822 4.378 17673 6479 1 18 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.679 -0.475 17673 6480 1 18 . 1 1 11 11 GLU C C 91 176.040 176.040 174.850 1.190 17673 6481 1 18 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.020 3.680 17673 6482 1 18 . 1 1 11 11 GLU CB C 91 31.380 31.380 33.040 -1.660 17673 6483 1 18 . 1 1 11 11 GLU H H 91 8.157 8.157 7.760 0.397 17673 6484 1 18 . 1 1 12 12 GLN N N 92 124.360 124.360 120.801 3.559 17673 6485 1 18 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.038 -0.204 17673 6486 1 18 . 1 1 12 12 GLN C C 92 174.920 174.920 176.040 -1.120 17673 6487 1 18 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.635 -1.909 17673 6488 1 18 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.593 -0.601 17673 6489 1 18 . 1 1 12 12 GLN H H 92 8.605 8.605 8.813 -0.208 17673 6490 1 18 . 1 1 13 13 VAL N N 93 118.540 118.540 113.709 4.831 17673 6491 1 18 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.560 0.143 17673 6492 1 18 . 1 1 13 13 VAL C C 93 174.780 174.780 173.762 1.018 17673 6493 1 18 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.821 -0.288 17673 6494 1 18 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.514 0.473 17673 6495 1 18 . 1 1 13 13 VAL H H 93 8.997 8.997 9.014 -0.017 17673 6496 1 18 . 1 1 14 14 LEU N N 94 118.610 118.610 121.730 -3.120 17673 6497 1 18 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.149 -0.147 17673 6498 1 18 . 1 1 14 14 LEU C C 94 175.290 175.290 175.308 -0.018 17673 6499 1 18 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.607 0.251 17673 6500 1 18 . 1 1 14 14 LEU CB C 94 44.658 44.658 42.796 1.862 17673 6501 1 18 . 1 1 14 14 LEU H H 94 8.618 8.618 8.614 0.004 17673 6502 1 18 . 1 1 15 15 ALA N N 95 122.870 122.870 126.343 -3.473 17673 6503 1 18 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.306 0.559 17673 6504 1 18 . 1 1 15 15 ALA C C 95 176.220 176.220 176.664 -0.444 17673 6505 1 18 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.239 -0.289 17673 6506 1 18 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.903 0.237 17673 6507 1 18 . 1 1 15 15 ALA H H 95 9.335 9.335 9.267 0.068 17673 6508 1 18 . 1 1 16 16 SER N N 96 117.200 117.200 120.341 -3.141 17673 6509 1 18 . 1 1 16 16 SER HA H 96 4.520 4.520 4.802 -0.282 17673 6510 1 18 . 1 1 16 16 SER C C 96 174.250 174.250 174.573 -0.323 17673 6511 1 18 . 1 1 16 16 SER CA C 96 57.245 57.245 59.371 -2.126 17673 6512 1 18 . 1 1 16 16 SER CB C 96 63.974 63.974 63.553 0.421 17673 6513 1 18 . 1 1 16 16 SER H H 96 8.513 8.513 8.912 -0.399 17673 6514 1 18 . 1 1 17 17 TRP N N 97 125.340 125.340 130.240 -4.900 17673 6515 1 18 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.024 1.213 17673 6516 1 18 . 1 1 17 17 TRP C C 97 176.630 176.630 176.902 -0.272 17673 6517 1 18 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.889 -1.999 17673 6518 1 18 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.136 0.884 17673 6519 1 18 . 1 1 17 17 TRP H H 97 8.621 8.621 9.040 -0.419 17673 6520 1 18 . 1 1 18 18 SER N N 98 118.120 118.120 117.843 0.277 17673 6521 1 18 . 1 1 18 18 SER HA H 98 3.912 3.912 3.939 -0.027 17673 6522 1 18 . 1 1 18 18 SER C C 98 173.650 173.650 175.035 -1.385 17673 6523 1 18 . 1 1 18 18 SER CA C 98 59.400 59.400 60.492 -1.092 17673 6524 1 18 . 1 1 18 18 SER CB C 98 62.330 62.330 62.783 -0.453 17673 6525 1 18 . 1 1 18 18 SER H H 98 6.530 6.530 7.945 -1.415 17673 6526 1 18 . 1 1 19 19 ASP N N 99 119.980 119.980 119.378 0.602 17673 6527 1 18 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.243 0.197 17673 6528 1 18 . 1 1 19 19 ASP C C 99 176.200 176.200 176.818 -0.618 17673 6529 1 18 . 1 1 19 19 ASP CA C 99 53.420 53.420 56.068 -2.648 17673 6530 1 18 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.543 -1.353 17673 6531 1 18 . 1 1 19 19 ASP H H 99 7.834 7.834 7.649 0.185 17673 6532 1 18 . 1 1 20 20 SER N N 100 110.670 110.670 108.605 2.065 17673 6533 1 18 . 1 1 20 20 SER HA H 100 3.923 3.923 4.390 -0.467 17673 6534 1 18 . 1 1 20 20 SER C C 100 173.090 173.090 173.660 -0.570 17673 6535 1 18 . 1 1 20 20 SER CA C 100 60.410 60.410 59.233 1.177 17673 6536 1 18 . 1 1 20 20 SER CB C 100 62.350 62.350 64.743 -2.393 17673 6537 1 18 . 1 1 20 20 SER H H 100 8.127 8.127 8.295 -0.168 17673 6538 1 18 . 1 1 21 21 ARG N N 101 120.850 120.850 120.871 -0.021 17673 6539 1 18 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.611 -0.140 17673 6540 1 18 . 1 1 21 21 ARG C C 101 174.190 174.190 174.511 -0.321 17673 6541 1 18 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.516 0.494 17673 6542 1 18 . 1 1 21 21 ARG CB C 101 31.000 31.000 31.431 -0.431 17673 6543 1 18 . 1 1 21 21 ARG H H 101 8.097 8.097 7.693 0.404 17673 6544 1 18 . 1 1 22 22 PHE N N 102 118.370 118.370 118.124 0.246 17673 6545 1 18 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.954 -0.121 17673 6546 1 18 . 1 1 22 22 PHE C C 102 175.840 175.840 175.957 -0.117 17673 6547 1 18 . 1 1 22 22 PHE CA C 102 57.740 57.740 56.927 0.813 17673 6548 1 18 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.767 2.253 17673 6549 1 18 . 1 1 22 22 PHE H H 102 8.400 8.400 8.163 0.237 17673 6550 1 18 . 1 1 23 23 TYR N N 103 119.450 119.450 121.593 -2.143 17673 6551 1 18 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.158 -0.018 17673 6552 1 18 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.967 -0.257 17673 6553 1 18 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.759 -0.099 17673 6554 1 18 . 1 1 23 23 TYR H H 103 9.263 9.263 9.023 0.240 17673 6555 1 18 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.297 -0.269 17673 6556 1 18 . 1 1 24 24 PRO C C 104 175.500 175.500 175.864 -0.364 17673 6557 1 18 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.814 1.046 17673 6558 1 18 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.636 -0.036 17673 6559 1 18 . 1 1 25 25 ALA N N 105 124.530 124.530 121.894 2.636 17673 6560 1 18 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.854 0.944 17673 6561 1 18 . 1 1 25 25 ALA C C 105 174.470 174.470 174.424 0.046 17673 6562 1 18 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.757 0.123 17673 6563 1 18 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.367 1.033 17673 6564 1 18 . 1 1 25 25 ALA H H 105 9.121 9.121 8.833 0.288 17673 6565 1 18 . 1 1 26 26 LYS N N 106 117.940 117.940 120.249 -2.309 17673 6566 1 18 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.991 0.226 17673 6567 1 18 . 1 1 26 26 LYS C C 106 176.420 176.420 175.917 0.503 17673 6568 1 18 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.376 -0.376 17673 6569 1 18 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.141 0.939 17673 6570 1 18 . 1 1 26 26 LYS H H 106 8.064 8.064 8.247 -0.183 17673 6571 1 18 . 1 1 27 27 VAL N N 107 123.950 123.950 126.994 -3.044 17673 6572 1 18 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.048 -0.092 17673 6573 1 18 . 1 1 27 27 VAL C C 107 177.040 177.040 176.745 0.295 17673 6574 1 18 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.162 -0.103 17673 6575 1 18 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.737 0.193 17673 6576 1 18 . 1 1 27 27 VAL H H 107 8.264 8.264 8.856 -0.592 17673 6577 1 18 . 1 1 28 28 THR N N 108 121.600 121.600 118.024 3.576 17673 6578 1 18 . 1 1 28 28 THR HA H 108 4.680 4.680 4.535 0.145 17673 6579 1 18 . 1 1 28 28 THR C C 108 175.270 175.270 174.597 0.673 17673 6580 1 18 . 1 1 28 28 THR CA C 108 62.180 62.180 61.383 0.797 17673 6581 1 18 . 1 1 28 28 THR CB C 108 68.940 68.940 70.402 -1.462 17673 6582 1 18 . 1 1 28 28 THR H H 108 9.633 9.633 8.885 0.748 17673 6583 1 18 . 1 1 29 29 ALA N N 109 123.390 123.390 123.906 -0.516 17673 6584 1 18 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.611 -0.172 17673 6585 1 18 . 1 1 29 29 ALA C C 109 174.910 174.910 174.720 0.190 17673 6586 1 18 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.849 1.561 17673 6587 1 18 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.550 0.665 17673 6588 1 18 . 1 1 29 29 ALA H H 109 8.058 8.058 7.751 0.307 17673 6589 1 18 . 1 1 30 30 VAL N N 110 123.310 123.310 118.595 4.715 17673 6590 1 18 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.138 -0.038 17673 6591 1 18 . 1 1 30 30 VAL C C 110 175.510 175.510 174.666 0.844 17673 6592 1 18 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.010 1.670 17673 6593 1 18 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.186 -2.456 17673 6594 1 18 . 1 1 30 30 VAL H H 110 8.541 8.541 8.237 0.304 17673 6595 1 18 . 1 1 31 31 ASN N N 111 123.230 123.230 123.815 -0.585 17673 6596 1 18 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.970 -0.033 17673 6597 1 18 . 1 1 31 31 ASN CA C 111 53.095 53.095 51.973 1.122 17673 6598 1 18 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.580 -1.030 17673 6599 1 18 . 1 1 31 31 ASN H H 111 7.957 7.957 8.621 -0.664 17673 6600 1 18 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.935 0.249 17673 6601 1 18 . 1 1 32 32 LYS C C 112 176.120 176.120 177.166 -1.046 17673 6602 1 18 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.375 -0.065 17673 6603 1 18 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.288 -0.378 17673 6604 1 18 . 1 1 33 33 ASP N N 113 117.410 117.410 116.568 0.842 17673 6605 1 18 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.457 0.075 17673 6606 1 18 . 1 1 33 33 ASP C C 113 177.040 177.040 177.129 -0.089 17673 6607 1 18 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.000 -2.113 17673 6608 1 18 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.127 -1.137 17673 6609 1 18 . 1 1 33 33 ASP H H 113 7.867 7.867 8.094 -0.227 17673 6610 1 18 . 1 1 34 34 GLY N N 114 107.300 107.300 106.016 1.284 17673 6611 1 18 . 1 1 34 34 GLY C C 114 174.640 174.640 173.350 1.290 17673 6612 1 18 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.862 0.928 17673 6613 1 18 . 1 1 34 34 GLY H H 114 7.944 7.944 8.008 -0.064 17673 6614 1 18 . 1 1 35 35 THR N N 115 108.940 108.940 111.782 -2.842 17673 6615 1 18 . 1 1 35 35 THR HA H 115 4.824 4.824 5.308 -0.484 17673 6616 1 18 . 1 1 35 35 THR C C 115 173.650 173.650 172.264 1.386 17673 6617 1 18 . 1 1 35 35 THR CA C 115 60.640 60.640 59.891 0.750 17673 6618 1 18 . 1 1 35 35 THR CB C 115 72.740 72.740 72.174 0.566 17673 6619 1 18 . 1 1 35 35 THR H H 115 7.381 7.381 7.793 -0.412 17673 6620 1 18 . 1 1 36 36 TYR N N 116 116.170 116.170 117.741 -1.571 17673 6621 1 18 . 1 1 36 36 TYR HA H 116 5.175 5.175 5.035 0.140 17673 6622 1 18 . 1 1 36 36 TYR C C 116 175.890 175.890 174.385 1.505 17673 6623 1 18 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.334 -0.324 17673 6624 1 18 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.873 -1.703 17673 6625 1 18 . 1 1 36 36 TYR H H 116 9.058 9.058 9.297 -0.239 17673 6626 1 18 . 1 1 37 37 THR N N 117 120.780 120.780 118.483 2.297 17673 6627 1 18 . 1 1 37 37 THR HA H 117 5.116 5.116 5.337 -0.221 17673 6628 1 18 . 1 1 37 37 THR C C 117 173.990 173.990 173.400 0.590 17673 6629 1 18 . 1 1 37 37 THR CA C 117 63.060 63.060 61.319 1.741 17673 6630 1 18 . 1 1 37 37 THR CB C 117 69.255 69.255 71.008 -1.753 17673 6631 1 18 . 1 1 37 37 THR H H 117 9.035 9.035 9.078 -0.043 17673 6632 1 18 . 1 1 38 38 VAL N N 118 120.000 120.000 119.828 0.172 17673 6633 1 18 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.046 0.203 17673 6634 1 18 . 1 1 38 38 VAL C C 118 172.390 172.390 173.114 -0.724 17673 6635 1 18 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.307 -1.567 17673 6636 1 18 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.339 -0.409 17673 6637 1 18 . 1 1 38 38 VAL H H 118 9.183 9.183 9.043 0.140 17673 6638 1 18 . 1 1 39 39 LYS N N 119 121.000 121.000 122.109 -1.109 17673 6639 1 18 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.091 -0.029 17673 6640 1 18 . 1 1 39 39 LYS C C 119 178.050 178.050 175.236 2.814 17673 6641 1 18 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.182 0.028 17673 6642 1 18 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.550 -0.630 17673 6643 1 18 . 1 1 39 39 LYS H H 119 8.802 8.802 8.690 0.112 17673 6644 1 18 . 1 1 40 40 PHE N N 120 127.480 127.480 125.882 1.598 17673 6645 1 18 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.339 0.407 17673 6646 1 18 . 1 1 40 40 PHE C C 120 178.110 178.110 176.836 1.274 17673 6647 1 18 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.670 1.940 17673 6648 1 18 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.975 2.065 17673 6649 1 18 . 1 1 40 40 PHE H H 120 9.634 9.634 9.212 0.422 17673 6650 1 18 . 1 1 41 41 TYR N N 121 119.600 119.600 123.025 -3.425 17673 6651 1 18 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.185 0.219 17673 6652 1 18 . 1 1 41 41 TYR C C 121 174.890 174.890 176.962 -2.072 17673 6653 1 18 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.834 -0.922 17673 6654 1 18 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.941 -0.502 17673 6655 1 18 . 1 1 41 41 TYR H H 121 8.679 8.679 8.296 0.383 17673 6656 1 18 . 1 1 42 42 ASP N N 122 117.780 117.780 117.524 0.256 17673 6657 1 18 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.511 -0.198 17673 6658 1 18 . 1 1 42 42 ASP C C 122 176.810 176.810 177.473 -0.663 17673 6659 1 18 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.052 -2.382 17673 6660 1 18 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.275 -2.565 17673 6661 1 18 . 1 1 42 42 ASP H H 122 7.128 7.128 8.031 -0.903 17673 6662 1 18 . 1 1 43 43 GLY N N 123 108.200 108.200 106.127 2.073 17673 6663 1 18 . 1 1 43 43 GLY C C 123 173.670 173.670 174.205 -0.535 17673 6664 1 18 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.685 0.564 17673 6665 1 18 . 1 1 43 43 GLY H H 123 8.242 8.242 8.185 0.057 17673 6666 1 18 . 1 1 44 44 VAL N N 124 121.320 121.320 121.195 0.125 17673 6667 1 18 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.082 -0.239 17673 6668 1 18 . 1 1 44 44 VAL C C 124 174.610 174.610 175.073 -0.463 17673 6669 1 18 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.256 0.714 17673 6670 1 18 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.801 -0.561 17673 6671 1 18 . 1 1 44 44 VAL H H 124 6.877 6.877 7.907 -1.030 17673 6672 1 18 . 1 1 45 45 VAL N N 125 129.030 129.030 123.303 5.727 17673 6673 1 18 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.141 0.128 17673 6674 1 18 . 1 1 45 45 VAL C C 125 176.640 176.640 175.418 1.222 17673 6675 1 18 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.888 0.192 17673 6676 1 18 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.370 -0.950 17673 6677 1 18 . 1 1 45 45 VAL H H 125 8.529 8.529 8.320 0.209 17673 6678 1 18 . 1 1 46 46 GLN N N 126 125.880 125.880 124.591 1.289 17673 6679 1 18 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.782 0.055 17673 6680 1 18 . 1 1 46 46 GLN C C 126 173.960 173.960 174.239 -0.279 17673 6681 1 18 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.519 0.121 17673 6682 1 18 . 1 1 46 46 GLN CB C 126 34.680 34.680 31.989 2.691 17673 6683 1 18 . 1 1 46 46 GLN H H 126 8.989 8.989 9.025 -0.036 17673 6684 1 18 . 1 1 47 47 THR N N 127 121.970 121.970 118.502 3.468 17673 6685 1 18 . 1 1 47 47 THR HA H 127 5.347 5.347 5.378 -0.031 17673 6686 1 18 . 1 1 47 47 THR C C 127 174.500 174.500 174.417 0.083 17673 6687 1 18 . 1 1 47 47 THR CA C 127 62.730 62.730 61.804 0.926 17673 6688 1 18 . 1 1 47 47 THR CB C 127 69.540 69.540 69.620 -0.080 17673 6689 1 18 . 1 1 47 47 THR H H 127 8.912 8.912 8.521 0.391 17673 6690 1 18 . 1 1 48 48 VAL N N 128 121.810 121.810 120.897 0.913 17673 6691 1 18 . 1 1 48 48 VAL HA H 128 5.002 5.002 4.819 0.183 17673 6692 1 18 . 1 1 48 48 VAL C C 128 174.840 174.840 174.051 0.789 17673 6693 1 18 . 1 1 48 48 VAL CA C 128 59.050 59.050 60.480 -1.430 17673 6694 1 18 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.297 0.543 17673 6695 1 18 . 1 1 48 48 VAL H H 128 9.513 9.513 9.140 0.373 17673 6696 1 18 . 1 1 49 49 LYS N N 129 121.050 121.050 119.427 1.623 17673 6697 1 18 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.827 -0.391 17673 6698 1 18 . 1 1 49 49 LYS C C 129 178.110 178.110 178.188 -0.078 17673 6699 1 18 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.203 1.907 17673 6700 1 18 . 1 1 49 49 LYS CB C 129 34.170 34.170 33.853 0.317 17673 6701 1 18 . 1 1 49 49 LYS H H 129 9.021 9.021 8.757 0.264 17673 6702 1 18 . 1 1 50 50 HIS N N 130 119.600 119.600 120.753 -1.153 17673 6703 1 18 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.386 0.090 17673 6704 1 18 . 1 1 50 50 HIS C C 130 176.820 176.820 177.591 -0.771 17673 6705 1 18 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.403 0.947 17673 6706 1 18 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.211 0.249 17673 6707 1 18 . 1 1 50 50 HIS H H 130 8.679 8.679 8.725 -0.046 17673 6708 1 18 . 1 1 51 51 ILE N N 131 109.320 109.320 112.956 -3.636 17673 6709 1 18 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.681 0.579 17673 6710 1 18 . 1 1 51 51 ILE C C 131 176.350 176.350 175.517 0.833 17673 6711 1 18 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.519 0.191 17673 6712 1 18 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.795 1.265 17673 6713 1 18 . 1 1 51 51 ILE H H 131 6.790 6.790 8.222 -1.432 17673 6714 1 18 . 1 1 52 52 HIS N N 132 121.710 121.710 115.704 6.006 17673 6715 1 18 . 1 1 52 52 HIS HA H 132 4.972 4.972 5.003 -0.031 17673 6716 1 18 . 1 1 52 52 HIS C C 132 172.680 172.680 174.153 -1.473 17673 6717 1 18 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.909 -0.799 17673 6718 1 18 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.689 0.141 17673 6719 1 18 . 1 1 52 52 HIS H H 132 8.064 8.064 7.621 0.443 17673 6720 1 18 . 1 1 53 53 VAL N N 133 118.360 118.360 117.309 1.051 17673 6721 1 18 . 1 1 53 53 VAL HA H 133 5.004 5.004 4.813 0.191 17673 6722 1 18 . 1 1 53 53 VAL C C 133 173.990 173.990 173.617 0.373 17673 6723 1 18 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.453 0.847 17673 6724 1 18 . 1 1 53 53 VAL CB C 133 34.050 34.050 35.003 -0.953 17673 6725 1 18 . 1 1 53 53 VAL H H 133 7.614 7.614 7.419 0.195 17673 6726 1 18 . 1 1 54 54 LYS N N 134 123.720 123.720 120.771 2.949 17673 6727 1 18 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.791 0.029 17673 6728 1 18 . 1 1 54 54 LYS C C 134 173.820 173.820 174.626 -0.806 17673 6729 1 18 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.533 0.687 17673 6730 1 18 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.876 0.754 17673 6731 1 18 . 1 1 54 54 LYS H H 134 9.207 9.207 8.563 0.644 17673 6732 1 18 . 1 1 55 55 ALA N N 135 121.610 121.610 121.547 0.063 17673 6733 1 18 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.948 0.488 17673 6734 1 18 . 1 1 55 55 ALA C C 135 177.670 177.670 176.744 0.926 17673 6735 1 18 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.606 -0.406 17673 6736 1 18 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.720 0.390 17673 6737 1 18 . 1 1 55 55 ALA H H 135 8.560 8.560 8.279 0.281 17673 6738 1 18 . 1 1 56 56 PHE N N 136 120.080 120.080 119.101 0.979 17673 6739 1 18 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.141 0.122 17673 6740 1 18 . 1 1 56 56 PHE C C 136 175.380 175.380 175.443 -0.063 17673 6741 1 18 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.396 0.464 17673 6742 1 18 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.308 0.842 17673 6743 1 18 . 1 1 56 56 PHE H H 136 8.680 8.680 7.958 0.722 17673 6744 1 18 . 1 1 57 57 SER N N 137 117.820 117.820 113.593 4.227 17673 6745 1 18 . 1 1 57 57 SER HA H 137 4.367 4.367 4.363 0.004 17673 6746 1 18 . 1 1 57 57 SER CA C 137 57.350 57.350 59.616 -2.266 17673 6747 1 18 . 1 1 57 57 SER CB C 137 64.220 64.220 63.236 0.984 17673 6748 1 18 . 1 1 57 57 SER H H 137 7.298 7.298 7.092 0.206 17673 6749 1 18 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.706 0.472 17673 6750 1 18 . 1 1 58 58 LYS C C 138 176.260 176.260 177.790 -1.530 17673 6751 1 18 . 1 1 58 58 LYS CA C 138 56.740 56.740 58.909 -2.169 17673 6752 1 18 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.408 0.392 17673 6753 1 18 . 1 1 59 59 ASP N N 139 120.500 120.500 119.620 0.880 17673 6754 1 18 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.342 0.183 17673 6755 1 18 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.004 -1.364 17673 6756 1 18 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.502 -0.522 17673 6757 1 18 . 1 1 59 59 ASP H H 139 8.245 8.245 8.186 0.059 17673 6758 1 18 . 1 1 60 60 GLN N N 140 120.290 120.290 114.142 6.148 17673 6759 1 18 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.437 -0.190 17673 6760 1 18 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.792 1.268 17673 6761 1 18 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.417 -3.027 17673 6762 1 18 . 1 1 60 60 GLN H H 140 8.212 8.212 7.816 0.397 17673 6763 1 18 . 1 1 61 61 ASN N N 141 121.710 121.710 116.989 4.721 17673 6764 1 18 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.646 0.075 17673 6765 1 18 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.161 -0.082 17673 6766 1 18 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.313 -0.403 17673 6767 1 18 . 1 1 61 61 ASN H H 141 8.064 8.064 8.656 -0.592 17673 6768 1 18 . 1 1 62 62 ILE N N 142 120.890 120.890 119.023 1.867 17673 6769 1 18 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.311 -0.139 17673 6770 1 18 . 1 1 62 62 ILE C C 142 176.330 176.330 176.514 -0.184 17673 6771 1 18 . 1 1 62 62 ILE CA C 142 61.350 61.350 62.365 -1.015 17673 6772 1 18 . 1 1 62 62 ILE CB C 142 38.575 38.575 39.301 -0.726 17673 6773 1 18 . 1 1 62 62 ILE H H 142 8.010 8.010 8.814 -0.804 17673 6774 1 18 . 1 1 63 63 VAL N N 143 123.520 123.520 116.860 6.660 17673 6775 1 18 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.132 -0.024 17673 6776 1 18 . 1 1 63 63 VAL C C 143 176.740 176.740 178.030 -1.290 17673 6777 1 18 . 1 1 63 63 VAL CA C 143 62.710 62.710 64.732 -2.022 17673 6778 1 18 . 1 1 63 63 VAL CB C 143 32.570 32.570 31.512 1.058 17673 6779 1 18 . 1 1 63 63 VAL H H 143 8.157 8.157 7.926 0.231 17673 6780 1 18 . 1 1 64 64 GLY N N 144 112.060 112.060 109.261 2.799 17673 6781 1 18 . 1 1 64 64 GLY C C 144 173.940 173.940 173.806 0.134 17673 6782 1 18 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.202 -0.722 17673 6783 1 18 . 1 1 64 64 GLY H H 144 8.408 8.408 8.232 0.176 17673 6784 1 18 . 1 1 65 65 ASN N N 145 118.830 118.830 117.092 1.738 17673 6785 1 18 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.668 0.048 17673 6786 1 18 . 1 1 65 65 ASN C C 145 175.220 175.220 173.090 2.130 17673 6787 1 18 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.427 0.733 17673 6788 1 18 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.242 -2.242 17673 6789 1 18 . 1 1 65 65 ASN H H 145 8.305 8.305 7.836 0.469 17673 6790 1 18 . 1 1 66 66 ALA N N 146 124.400 124.400 126.276 -1.876 17673 6791 1 18 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.748 -0.408 17673 6792 1 18 . 1 1 66 66 ALA C C 146 177.870 177.870 176.796 1.074 17673 6793 1 18 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.841 1.179 17673 6794 1 18 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.730 -0.640 17673 6795 1 18 . 1 1 66 66 ALA H H 146 8.341 8.341 8.716 -0.375 17673 6796 1 18 . 1 1 284 284 ALA N N 364 124.540 124.540 125.485 -0.945 17673 6797 1 18 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.477 -0.213 17673 6798 1 18 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.085 0.570 17673 6799 1 18 . 1 1 284 284 ALA CB C 364 19.130 19.130 19.994 -0.864 17673 6800 1 18 . 1 1 284 284 ALA H H 364 8.267 8.267 8.531 -0.264 17673 6801 1 18 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.321 0.503 17673 6802 1 18 . 1 1 285 285 HIS H H 365 8.447 8.447 7.622 0.825 17673 6803 1 18 . 1 1 286 286 SER N N 366 117.450 117.450 116.496 0.954 17673 6804 1 18 . 1 1 286 286 SER HA H 366 4.460 4.460 4.633 -0.173 17673 6805 1 18 . 1 1 286 286 SER CA C 366 58.330 58.330 58.039 0.291 17673 6806 1 18 . 1 1 286 286 SER CB C 366 64.030 64.030 64.222 -0.192 17673 6807 1 18 . 1 1 286 286 SER H H 366 8.287 8.287 8.320 -0.033 17673 6808 1 18 . 1 1 287 287 SER N N 367 117.450 117.450 116.429 1.021 17673 6809 1 18 . 1 1 287 287 SER HA H 367 4.460 4.460 4.553 -0.093 17673 6810 1 18 . 1 1 287 287 SER CA C 367 58.330 58.330 57.151 1.179 17673 6811 1 18 . 1 1 287 287 SER CB C 367 64.030 64.030 65.098 -1.068 17673 6812 1 18 . 1 1 287 287 SER H H 367 8.287 8.287 6.390 1.897 17673 6813 1 18 . 1 1 292 292 LYS N N 372 123.390 123.390 121.047 2.343 17673 6814 1 18 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.459 -0.111 17673 6815 1 18 . 1 1 292 292 LYS CA C 372 56.640 56.640 55.952 0.688 17673 6816 1 18 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.987 0.163 17673 6817 1 18 . 1 1 292 292 LYS H H 372 8.416 8.416 7.846 0.570 17673 6818 1 18 . 1 1 293 293 LYS N N 373 123.390 123.390 121.893 1.497 17673 6819 1 18 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.210 0.138 17673 6820 1 18 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.447 -0.161 17673 6821 1 18 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.815 0.335 17673 6822 1 18 . 1 1 293 293 LYS H H 373 8.416 8.416 7.915 0.501 17673 6823 1 19 . 1 1 5 5 SER HA H 85 4.436 4.436 4.196 0.240 17673 6824 1 19 . 1 1 5 5 SER C C 85 173.840 173.840 173.507 0.333 17673 6825 1 19 . 1 1 5 5 SER CA C 85 58.100 58.100 58.400 -0.300 17673 6826 1 19 . 1 1 5 5 SER CB C 85 64.010 64.010 62.849 1.161 17673 6827 1 19 . 1 1 6 6 GLU N N 86 122.440 122.440 123.723 -1.283 17673 6828 1 19 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.373 -0.322 17673 6829 1 19 . 1 1 6 6 GLU C C 86 175.710 175.710 174.343 1.367 17673 6830 1 19 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.623 1.496 17673 6831 1 19 . 1 1 6 6 GLU CB C 86 30.746 30.746 32.447 -1.701 17673 6832 1 19 . 1 1 6 6 GLU H H 86 8.107 8.107 7.445 0.662 17673 6833 1 19 . 1 1 7 7 PHE N N 87 118.700 118.700 122.924 -4.224 17673 6834 1 19 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.810 0.063 17673 6835 1 19 . 1 1 7 7 PHE C C 87 174.600 174.600 174.811 -0.211 17673 6836 1 19 . 1 1 7 7 PHE CA C 87 57.125 57.125 57.594 -0.469 17673 6837 1 19 . 1 1 7 7 PHE CB C 87 40.769 40.769 40.865 -0.096 17673 6838 1 19 . 1 1 7 7 PHE H H 87 7.598 7.598 8.622 -1.024 17673 6839 1 19 . 1 1 8 8 GLN N N 88 118.630 118.630 120.043 -1.413 17673 6840 1 19 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.687 -0.009 17673 6841 1 19 . 1 1 8 8 GLN C C 88 175.670 175.670 174.842 0.828 17673 6842 1 19 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.542 -0.087 17673 6843 1 19 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.582 0.318 17673 6844 1 19 . 1 1 8 8 GLN H H 88 8.906 8.906 8.483 0.423 17673 6845 1 19 . 1 1 9 9 ILE N N 89 118.880 118.880 120.916 -2.036 17673 6846 1 19 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.599 -0.203 17673 6847 1 19 . 1 1 9 9 ILE C C 89 177.130 177.130 176.306 0.824 17673 6848 1 19 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.874 -0.182 17673 6849 1 19 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.428 0.002 17673 6850 1 19 . 1 1 9 9 ILE H H 89 8.384 8.384 8.366 0.018 17673 6851 1 19 . 1 1 10 10 ASN N N 90 119.090 119.090 119.112 -0.022 17673 6852 1 19 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.314 -0.070 17673 6853 1 19 . 1 1 10 10 ASN C C 90 173.870 173.870 173.951 -0.081 17673 6854 1 19 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.719 0.971 17673 6855 1 19 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.047 0.353 17673 6856 1 19 . 1 1 10 10 ASN H H 90 9.136 9.136 8.958 0.178 17673 6857 1 19 . 1 1 11 11 GLU N N 91 122.200 122.200 118.390 3.810 17673 6858 1 19 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.666 -0.462 17673 6859 1 19 . 1 1 11 11 GLU C C 91 176.040 176.040 174.813 1.227 17673 6860 1 19 . 1 1 11 11 GLU CA C 91 57.700 57.700 53.907 3.793 17673 6861 1 19 . 1 1 11 11 GLU CB C 91 31.380 31.380 33.126 -1.746 17673 6862 1 19 . 1 1 11 11 GLU H H 91 8.157 8.157 7.778 0.379 17673 6863 1 19 . 1 1 12 12 GLN N N 92 124.360 124.360 120.934 3.426 17673 6864 1 19 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.008 -0.174 17673 6865 1 19 . 1 1 12 12 GLN C C 92 174.920 174.920 175.866 -0.946 17673 6866 1 19 . 1 1 12 12 GLN CA C 92 55.726 55.726 57.011 -1.285 17673 6867 1 19 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.791 -0.799 17673 6868 1 19 . 1 1 12 12 GLN H H 92 8.605 8.605 8.749 -0.144 17673 6869 1 19 . 1 1 13 13 VAL N N 93 118.540 118.540 113.413 5.127 17673 6870 1 19 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.414 0.289 17673 6871 1 19 . 1 1 13 13 VAL C C 93 174.780 174.780 173.805 0.975 17673 6872 1 19 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.640 -0.107 17673 6873 1 19 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.333 0.654 17673 6874 1 19 . 1 1 13 13 VAL H H 93 8.997 8.997 8.993 0.004 17673 6875 1 19 . 1 1 14 14 LEU N N 94 118.610 118.610 120.992 -2.382 17673 6876 1 19 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.148 -0.146 17673 6877 1 19 . 1 1 14 14 LEU C C 94 175.290 175.290 175.481 -0.191 17673 6878 1 19 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.546 0.312 17673 6879 1 19 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.181 1.477 17673 6880 1 19 . 1 1 14 14 LEU H H 94 8.618 8.618 8.525 0.093 17673 6881 1 19 . 1 1 15 15 ALA N N 95 122.870 122.870 126.210 -3.340 17673 6882 1 19 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.488 0.377 17673 6883 1 19 . 1 1 15 15 ALA C C 95 176.220 176.220 176.657 -0.437 17673 6884 1 19 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.414 -0.464 17673 6885 1 19 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.888 0.252 17673 6886 1 19 . 1 1 15 15 ALA H H 95 9.335 9.335 9.393 -0.058 17673 6887 1 19 . 1 1 16 16 SER N N 96 117.200 117.200 120.490 -3.290 17673 6888 1 19 . 1 1 16 16 SER HA H 96 4.520 4.520 4.581 -0.061 17673 6889 1 19 . 1 1 16 16 SER C C 96 174.250 174.250 174.087 0.163 17673 6890 1 19 . 1 1 16 16 SER CA C 96 57.245 57.245 59.423 -2.178 17673 6891 1 19 . 1 1 16 16 SER CB C 96 63.974 63.974 63.402 0.572 17673 6892 1 19 . 1 1 16 16 SER H H 96 8.513 8.513 8.843 -0.330 17673 6893 1 19 . 1 1 17 17 TRP N N 97 125.340 125.340 130.385 -5.045 17673 6894 1 19 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.554 0.683 17673 6895 1 19 . 1 1 17 17 TRP C C 97 176.630 176.630 177.380 -0.750 17673 6896 1 19 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.510 -1.620 17673 6897 1 19 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.379 0.641 17673 6898 1 19 . 1 1 17 17 TRP H H 97 8.621 8.621 8.880 -0.259 17673 6899 1 19 . 1 1 18 18 SER N N 98 118.120 118.120 117.500 0.620 17673 6900 1 19 . 1 1 18 18 SER HA H 98 3.912 3.912 3.981 -0.069 17673 6901 1 19 . 1 1 18 18 SER C C 98 173.650 173.650 175.324 -1.674 17673 6902 1 19 . 1 1 18 18 SER CA C 98 59.400 59.400 61.067 -1.667 17673 6903 1 19 . 1 1 18 18 SER CB C 98 62.330 62.330 62.835 -0.505 17673 6904 1 19 . 1 1 18 18 SER H H 98 6.530 6.530 8.237 -1.707 17673 6905 1 19 . 1 1 19 19 ASP N N 99 119.980 119.980 118.821 1.159 17673 6906 1 19 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.259 0.181 17673 6907 1 19 . 1 1 19 19 ASP C C 99 176.200 176.200 176.741 -0.541 17673 6908 1 19 . 1 1 19 19 ASP CA C 99 53.420 53.420 56.052 -2.632 17673 6909 1 19 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.428 -1.238 17673 6910 1 19 . 1 1 19 19 ASP H H 99 7.834 7.834 7.621 0.213 17673 6911 1 19 . 1 1 20 20 SER N N 100 110.670 110.670 109.269 1.401 17673 6912 1 19 . 1 1 20 20 SER HA H 100 3.923 3.923 4.442 -0.519 17673 6913 1 19 . 1 1 20 20 SER C C 100 173.090 173.090 173.617 -0.527 17673 6914 1 19 . 1 1 20 20 SER CA C 100 60.410 60.410 59.023 1.387 17673 6915 1 19 . 1 1 20 20 SER CB C 100 62.350 62.350 64.275 -1.925 17673 6916 1 19 . 1 1 20 20 SER H H 100 8.127 8.127 8.355 -0.228 17673 6917 1 19 . 1 1 21 21 ARG N N 101 120.850 120.850 120.751 0.099 17673 6918 1 19 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.462 0.009 17673 6919 1 19 . 1 1 21 21 ARG C C 101 174.190 174.190 174.789 -0.599 17673 6920 1 19 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.623 0.387 17673 6921 1 19 . 1 1 21 21 ARG CB C 101 31.000 31.000 31.073 -0.073 17673 6922 1 19 . 1 1 21 21 ARG H H 101 8.097 8.097 8.033 0.064 17673 6923 1 19 . 1 1 22 22 PHE N N 102 118.370 118.370 119.194 -0.824 17673 6924 1 19 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.553 0.280 17673 6925 1 19 . 1 1 22 22 PHE C C 102 175.840 175.840 175.535 0.305 17673 6926 1 19 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.279 -1.539 17673 6927 1 19 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.637 2.383 17673 6928 1 19 . 1 1 22 22 PHE H H 102 8.400 8.400 7.880 0.520 17673 6929 1 19 . 1 1 23 23 TYR N N 103 119.450 119.450 119.784 -0.334 17673 6930 1 19 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.394 -0.254 17673 6931 1 19 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.243 0.467 17673 6932 1 19 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.946 -0.286 17673 6933 1 19 . 1 1 23 23 TYR H H 103 9.263 9.263 8.749 0.514 17673 6934 1 19 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.170 -0.142 17673 6935 1 19 . 1 1 24 24 PRO C C 104 175.500 175.500 175.864 -0.364 17673 6936 1 19 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.851 1.009 17673 6937 1 19 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.445 0.155 17673 6938 1 19 . 1 1 25 25 ALA N N 105 124.530 124.530 122.229 2.301 17673 6939 1 19 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.237 0.561 17673 6940 1 19 . 1 1 25 25 ALA C C 105 174.470 174.470 174.520 -0.050 17673 6941 1 19 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.829 0.051 17673 6942 1 19 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.693 0.707 17673 6943 1 19 . 1 1 25 25 ALA H H 105 9.121 9.121 8.882 0.239 17673 6944 1 19 . 1 1 26 26 LYS N N 106 117.940 117.940 120.285 -2.345 17673 6945 1 19 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.938 0.279 17673 6946 1 19 . 1 1 26 26 LYS C C 106 176.420 176.420 175.826 0.594 17673 6947 1 19 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.342 -0.342 17673 6948 1 19 . 1 1 26 26 LYS CB C 106 36.080 36.080 35.233 0.847 17673 6949 1 19 . 1 1 26 26 LYS H H 106 8.064 8.064 8.493 -0.429 17673 6950 1 19 . 1 1 27 27 VAL N N 107 123.950 123.950 126.850 -2.900 17673 6951 1 19 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.061 -0.105 17673 6952 1 19 . 1 1 27 27 VAL C C 107 177.040 177.040 176.678 0.362 17673 6953 1 19 . 1 1 27 27 VAL CA C 107 64.060 64.060 64.092 -0.032 17673 6954 1 19 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.712 0.218 17673 6955 1 19 . 1 1 27 27 VAL H H 107 8.264 8.264 8.877 -0.613 17673 6956 1 19 . 1 1 28 28 THR N N 108 121.600 121.600 118.068 3.532 17673 6957 1 19 . 1 1 28 28 THR HA H 108 4.680 4.680 4.530 0.150 17673 6958 1 19 . 1 1 28 28 THR C C 108 175.270 175.270 174.594 0.676 17673 6959 1 19 . 1 1 28 28 THR CA C 108 62.180 62.180 61.357 0.823 17673 6960 1 19 . 1 1 28 28 THR CB C 108 68.940 68.940 70.352 -1.412 17673 6961 1 19 . 1 1 28 28 THR H H 108 9.633 9.633 8.887 0.746 17673 6962 1 19 . 1 1 29 29 ALA N N 109 123.390 123.390 123.960 -0.570 17673 6963 1 19 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.625 -0.186 17673 6964 1 19 . 1 1 29 29 ALA C C 109 174.910 174.910 174.825 0.085 17673 6965 1 19 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.817 1.593 17673 6966 1 19 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.554 0.661 17673 6967 1 19 . 1 1 29 29 ALA H H 109 8.058 8.058 7.688 0.370 17673 6968 1 19 . 1 1 30 30 VAL N N 110 123.310 123.310 118.673 4.637 17673 6969 1 19 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.031 0.069 17673 6970 1 19 . 1 1 30 30 VAL C C 110 175.510 175.510 174.524 0.986 17673 6971 1 19 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.381 1.299 17673 6972 1 19 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.128 -2.398 17673 6973 1 19 . 1 1 30 30 VAL H H 110 8.541 8.541 8.255 0.286 17673 6974 1 19 . 1 1 31 31 ASN N N 111 123.230 123.230 124.613 -1.383 17673 6975 1 19 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.971 -0.034 17673 6976 1 19 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.144 0.952 17673 6977 1 19 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.038 -0.488 17673 6978 1 19 . 1 1 31 31 ASN H H 111 7.957 7.957 8.596 -0.639 17673 6979 1 19 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.890 0.294 17673 6980 1 19 . 1 1 32 32 LYS C C 112 176.120 176.120 176.996 -0.876 17673 6981 1 19 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.727 -0.417 17673 6982 1 19 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.406 -0.496 17673 6983 1 19 . 1 1 33 33 ASP N N 113 117.410 117.410 116.868 0.542 17673 6984 1 19 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.418 0.114 17673 6985 1 19 . 1 1 33 33 ASP C C 113 177.040 177.040 177.066 -0.026 17673 6986 1 19 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.189 -2.302 17673 6987 1 19 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.071 -1.081 17673 6988 1 19 . 1 1 33 33 ASP H H 113 7.867 7.867 8.077 -0.210 17673 6989 1 19 . 1 1 34 34 GLY N N 114 107.300 107.300 105.780 1.520 17673 6990 1 19 . 1 1 34 34 GLY C C 114 174.640 174.640 173.335 1.305 17673 6991 1 19 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.842 0.948 17673 6992 1 19 . 1 1 34 34 GLY H H 114 7.944 7.944 8.097 -0.153 17673 6993 1 19 . 1 1 35 35 THR N N 115 108.940 108.940 111.071 -2.131 17673 6994 1 19 . 1 1 35 35 THR HA H 115 4.824 4.824 5.398 -0.574 17673 6995 1 19 . 1 1 35 35 THR C C 115 173.650 173.650 172.272 1.378 17673 6996 1 19 . 1 1 35 35 THR CA C 115 60.640 60.640 59.555 1.085 17673 6997 1 19 . 1 1 35 35 THR CB C 115 72.740 72.740 72.323 0.417 17673 6998 1 19 . 1 1 35 35 THR H H 115 7.381 7.381 7.944 -0.563 17673 6999 1 19 . 1 1 36 36 TYR N N 116 116.170 116.170 117.724 -1.554 17673 7000 1 19 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.947 0.229 17673 7001 1 19 . 1 1 36 36 TYR C C 116 175.890 175.890 174.231 1.659 17673 7002 1 19 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.580 -0.570 17673 7003 1 19 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.675 -1.506 17673 7004 1 19 . 1 1 36 36 TYR H H 116 9.058 9.058 9.303 -0.245 17673 7005 1 19 . 1 1 37 37 THR N N 117 120.780 120.780 118.291 2.489 17673 7006 1 19 . 1 1 37 37 THR HA H 117 5.116 5.116 5.355 -0.239 17673 7007 1 19 . 1 1 37 37 THR C C 117 173.990 173.990 173.478 0.512 17673 7008 1 19 . 1 1 37 37 THR CA C 117 63.060 63.060 61.289 1.771 17673 7009 1 19 . 1 1 37 37 THR CB C 117 69.255 69.255 70.844 -1.589 17673 7010 1 19 . 1 1 37 37 THR H H 117 9.035 9.035 8.954 0.081 17673 7011 1 19 . 1 1 38 38 VAL N N 118 120.000 120.000 119.903 0.097 17673 7012 1 19 . 1 1 38 38 VAL HA H 118 5.249 5.249 4.996 0.253 17673 7013 1 19 . 1 1 38 38 VAL C C 118 172.390 172.390 173.080 -0.690 17673 7014 1 19 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.645 -1.905 17673 7015 1 19 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.729 -0.799 17673 7016 1 19 . 1 1 38 38 VAL H H 118 9.183 9.183 8.994 0.189 17673 7017 1 19 . 1 1 39 39 LYS N N 119 121.000 121.000 121.718 -0.718 17673 7018 1 19 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.092 -0.030 17673 7019 1 19 . 1 1 39 39 LYS C C 119 178.050 178.050 175.095 2.955 17673 7020 1 19 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.231 -0.021 17673 7021 1 19 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.891 -0.971 17673 7022 1 19 . 1 1 39 39 LYS H H 119 8.802 8.802 8.729 0.073 17673 7023 1 19 . 1 1 40 40 PHE N N 120 127.480 127.480 124.351 3.129 17673 7024 1 19 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.423 0.323 17673 7025 1 19 . 1 1 40 40 PHE C C 120 178.110 178.110 177.421 0.689 17673 7026 1 19 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.488 2.122 17673 7027 1 19 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.739 2.300 17673 7028 1 19 . 1 1 40 40 PHE H H 120 9.634 9.634 9.092 0.542 17673 7029 1 19 . 1 1 41 41 TYR N N 121 119.600 119.600 121.827 -2.227 17673 7030 1 19 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.154 0.250 17673 7031 1 19 . 1 1 41 41 TYR C C 121 174.890 174.890 177.235 -2.345 17673 7032 1 19 . 1 1 41 41 TYR CA C 121 59.912 59.912 61.142 -1.230 17673 7033 1 19 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.010 -0.570 17673 7034 1 19 . 1 1 41 41 TYR H H 121 8.679 8.679 8.923 -0.244 17673 7035 1 19 . 1 1 42 42 ASP N N 122 117.780 117.780 117.249 0.531 17673 7036 1 19 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.512 -0.199 17673 7037 1 19 . 1 1 42 42 ASP C C 122 176.810 176.810 177.391 -0.581 17673 7038 1 19 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.988 -2.318 17673 7039 1 19 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.254 -2.544 17673 7040 1 19 . 1 1 42 42 ASP H H 122 7.128 7.128 8.053 -0.925 17673 7041 1 19 . 1 1 43 43 GLY N N 123 108.200 108.200 105.943 2.257 17673 7042 1 19 . 1 1 43 43 GLY C C 123 173.670 173.670 174.301 -0.631 17673 7043 1 19 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.766 0.484 17673 7044 1 19 . 1 1 43 43 GLY H H 123 8.242 8.242 7.997 0.245 17673 7045 1 19 . 1 1 44 44 VAL N N 124 121.320 121.320 121.684 -0.364 17673 7046 1 19 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.087 -0.244 17673 7047 1 19 . 1 1 44 44 VAL C C 124 174.610 174.610 175.195 -0.585 17673 7048 1 19 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.683 0.287 17673 7049 1 19 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.676 -0.436 17673 7050 1 19 . 1 1 44 44 VAL H H 124 6.877 6.877 7.881 -1.004 17673 7051 1 19 . 1 1 45 45 VAL N N 125 129.030 129.030 125.368 3.662 17673 7052 1 19 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.096 0.173 17673 7053 1 19 . 1 1 45 45 VAL C C 125 176.640 176.640 175.103 1.537 17673 7054 1 19 . 1 1 45 45 VAL CA C 125 61.080 61.080 61.061 0.019 17673 7055 1 19 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.979 -1.559 17673 7056 1 19 . 1 1 45 45 VAL H H 125 8.529 8.529 8.446 0.083 17673 7057 1 19 . 1 1 46 46 GLN N N 126 125.880 125.880 124.710 1.170 17673 7058 1 19 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.903 -0.066 17673 7059 1 19 . 1 1 46 46 GLN C C 126 173.960 173.960 174.148 -0.188 17673 7060 1 19 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.511 0.129 17673 7061 1 19 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.566 2.114 17673 7062 1 19 . 1 1 46 46 GLN H H 126 8.989 8.989 9.073 -0.084 17673 7063 1 19 . 1 1 47 47 THR N N 127 121.970 121.970 119.312 2.658 17673 7064 1 19 . 1 1 47 47 THR HA H 127 5.347 5.347 5.372 -0.025 17673 7065 1 19 . 1 1 47 47 THR C C 127 174.500 174.500 173.982 0.518 17673 7066 1 19 . 1 1 47 47 THR CA C 127 62.730 62.730 61.248 1.482 17673 7067 1 19 . 1 1 47 47 THR CB C 127 69.540 69.540 69.918 -0.378 17673 7068 1 19 . 1 1 47 47 THR H H 127 8.912 8.912 8.503 0.409 17673 7069 1 19 . 1 1 48 48 VAL N N 128 121.810 121.810 121.374 0.436 17673 7070 1 19 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.052 -0.050 17673 7071 1 19 . 1 1 48 48 VAL C C 128 174.840 174.840 174.082 0.758 17673 7072 1 19 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.584 -0.534 17673 7073 1 19 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.079 0.761 17673 7074 1 19 . 1 1 48 48 VAL H H 128 9.513 9.513 9.270 0.243 17673 7075 1 19 . 1 1 49 49 LYS N N 129 121.050 121.050 119.199 1.851 17673 7076 1 19 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.960 -0.524 17673 7077 1 19 . 1 1 49 49 LYS C C 129 178.110 178.110 178.396 -0.286 17673 7078 1 19 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.803 2.307 17673 7079 1 19 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.140 0.030 17673 7080 1 19 . 1 1 49 49 LYS H H 129 9.021 9.021 8.812 0.209 17673 7081 1 19 . 1 1 50 50 HIS N N 130 119.600 119.600 120.788 -1.188 17673 7082 1 19 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.415 0.061 17673 7083 1 19 . 1 1 50 50 HIS C C 130 176.820 176.820 177.611 -0.791 17673 7084 1 19 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.538 0.811 17673 7085 1 19 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.214 0.246 17673 7086 1 19 . 1 1 50 50 HIS H H 130 8.679 8.679 8.697 -0.018 17673 7087 1 19 . 1 1 51 51 ILE N N 131 109.320 109.320 112.949 -3.629 17673 7088 1 19 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.678 0.582 17673 7089 1 19 . 1 1 51 51 ILE C C 131 176.350 176.350 175.525 0.825 17673 7090 1 19 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.510 0.200 17673 7091 1 19 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.774 1.286 17673 7092 1 19 . 1 1 51 51 ILE H H 131 6.790 6.790 8.221 -1.431 17673 7093 1 19 . 1 1 52 52 HIS N N 132 121.710 121.710 115.601 6.109 17673 7094 1 19 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.831 0.141 17673 7095 1 19 . 1 1 52 52 HIS C C 132 172.680 172.680 174.064 -1.384 17673 7096 1 19 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.742 -0.632 17673 7097 1 19 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.699 0.131 17673 7098 1 19 . 1 1 52 52 HIS H H 132 8.064 8.064 7.676 0.388 17673 7099 1 19 . 1 1 53 53 VAL N N 133 118.360 118.360 117.540 0.820 17673 7100 1 19 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.129 -0.125 17673 7101 1 19 . 1 1 53 53 VAL C C 133 173.990 173.990 174.105 -0.115 17673 7102 1 19 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.501 0.799 17673 7103 1 19 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.829 -0.779 17673 7104 1 19 . 1 1 53 53 VAL H H 133 7.614 7.614 7.524 0.090 17673 7105 1 19 . 1 1 54 54 LYS N N 134 123.720 123.720 121.187 2.533 17673 7106 1 19 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.671 0.149 17673 7107 1 19 . 1 1 54 54 LYS C C 134 173.820 173.820 174.226 -0.406 17673 7108 1 19 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.860 0.360 17673 7109 1 19 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.247 1.383 17673 7110 1 19 . 1 1 54 54 LYS H H 134 9.207 9.207 8.813 0.394 17673 7111 1 19 . 1 1 55 55 ALA N N 135 121.610 121.610 121.132 0.478 17673 7112 1 19 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.931 0.505 17673 7113 1 19 . 1 1 55 55 ALA C C 135 177.670 177.670 177.827 -0.157 17673 7114 1 19 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.489 -0.289 17673 7115 1 19 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.940 0.170 17673 7116 1 19 . 1 1 55 55 ALA H H 135 8.560 8.560 8.368 0.192 17673 7117 1 19 . 1 1 56 56 PHE N N 136 120.080 120.080 120.877 -0.797 17673 7118 1 19 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.312 -0.049 17673 7119 1 19 . 1 1 56 56 PHE C C 136 175.380 175.380 173.626 1.754 17673 7120 1 19 . 1 1 56 56 PHE CA C 136 58.860 58.860 56.904 1.956 17673 7121 1 19 . 1 1 56 56 PHE CB C 136 40.150 40.150 37.604 2.546 17673 7122 1 19 . 1 1 56 56 PHE H H 136 8.680 8.680 7.572 1.108 17673 7123 1 19 . 1 1 57 57 SER N N 137 117.820 117.820 115.809 2.011 17673 7124 1 19 . 1 1 57 57 SER HA H 137 4.367 4.367 4.888 -0.521 17673 7125 1 19 . 1 1 57 57 SER CA C 137 57.350 57.350 56.750 0.600 17673 7126 1 19 . 1 1 57 57 SER CB C 137 64.220 64.220 66.275 -2.055 17673 7127 1 19 . 1 1 57 57 SER H H 137 7.298 7.298 7.510 -0.212 17673 7128 1 19 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.861 0.317 17673 7129 1 19 . 1 1 58 58 LYS C C 138 176.260 176.260 177.429 -1.169 17673 7130 1 19 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.473 -2.733 17673 7131 1 19 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.621 0.179 17673 7132 1 19 . 1 1 59 59 ASP N N 139 120.500 120.500 116.668 3.832 17673 7133 1 19 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.478 0.047 17673 7134 1 19 . 1 1 59 59 ASP CA C 139 54.640 54.640 56.066 -1.427 17673 7135 1 19 . 1 1 59 59 ASP CB C 139 40.980 40.980 42.109 -1.129 17673 7136 1 19 . 1 1 59 59 ASP H H 139 8.245 8.245 7.742 0.503 17673 7137 1 19 . 1 1 60 60 GLN N N 140 120.290 120.290 115.040 5.250 17673 7138 1 19 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.461 -0.214 17673 7139 1 19 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.567 1.493 17673 7140 1 19 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.500 -3.110 17673 7141 1 19 . 1 1 60 60 GLN H H 140 8.212 8.212 8.160 0.052 17673 7142 1 19 . 1 1 61 61 ASN N N 141 121.710 121.710 117.911 3.799 17673 7143 1 19 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.737 -0.016 17673 7144 1 19 . 1 1 61 61 ASN CA C 141 53.079 53.079 54.020 -0.942 17673 7145 1 19 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.368 -0.459 17673 7146 1 19 . 1 1 61 61 ASN H H 141 8.064 8.064 8.667 -0.603 17673 7147 1 19 . 1 1 62 62 ILE N N 142 120.890 120.890 120.496 0.394 17673 7148 1 19 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.580 -0.408 17673 7149 1 19 . 1 1 62 62 ILE C C 142 176.330 176.330 174.684 1.646 17673 7150 1 19 . 1 1 62 62 ILE CA C 142 61.350 61.350 60.941 0.409 17673 7151 1 19 . 1 1 62 62 ILE CB C 142 38.575 38.575 37.797 0.778 17673 7152 1 19 . 1 1 62 62 ILE H H 142 8.010 8.010 8.957 -0.947 17673 7153 1 19 . 1 1 63 63 VAL N N 143 123.520 123.520 122.047 1.473 17673 7154 1 19 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.276 -0.168 17673 7155 1 19 . 1 1 63 63 VAL C C 143 176.740 176.740 176.410 0.330 17673 7156 1 19 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.960 -1.250 17673 7157 1 19 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.161 -1.591 17673 7158 1 19 . 1 1 63 63 VAL H H 143 8.157 8.157 8.697 -0.540 17673 7159 1 19 . 1 1 64 64 GLY N N 144 112.060 112.060 109.376 2.684 17673 7160 1 19 . 1 1 64 64 GLY C C 144 173.940 173.940 174.467 -0.527 17673 7161 1 19 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.257 -0.777 17673 7162 1 19 . 1 1 64 64 GLY H H 144 8.408 8.408 8.688 -0.280 17673 7163 1 19 . 1 1 65 65 ASN N N 145 118.830 118.830 115.995 2.835 17673 7164 1 19 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.750 -0.034 17673 7165 1 19 . 1 1 65 65 ASN C C 145 175.220 175.220 173.002 2.218 17673 7166 1 19 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.564 0.596 17673 7167 1 19 . 1 1 65 65 ASN CB C 145 39.000 39.000 41.123 -2.123 17673 7168 1 19 . 1 1 65 65 ASN H H 145 8.305 8.305 7.679 0.626 17673 7169 1 19 . 1 1 66 66 ALA N N 146 124.400 124.400 122.813 1.587 17673 7170 1 19 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.568 -0.228 17673 7171 1 19 . 1 1 66 66 ALA C C 146 177.870 177.870 176.642 1.228 17673 7172 1 19 . 1 1 66 66 ALA CA C 146 53.020 53.020 51.445 1.575 17673 7173 1 19 . 1 1 66 66 ALA CB C 146 19.090 19.090 18.994 0.096 17673 7174 1 19 . 1 1 66 66 ALA H H 146 8.341 8.341 8.631 -0.290 17673 7175 1 19 . 1 1 284 284 ALA N N 364 124.540 124.540 125.648 -1.108 17673 7176 1 19 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.300 -0.036 17673 7177 1 19 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.617 0.038 17673 7178 1 19 . 1 1 284 284 ALA CB C 364 19.130 19.130 18.072 1.058 17673 7179 1 19 . 1 1 284 284 ALA H H 364 8.267 8.267 8.529 -0.262 17673 7180 1 19 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.679 0.145 17673 7181 1 19 . 1 1 285 285 HIS H H 365 8.447 8.447 7.727 0.720 17673 7182 1 19 . 1 1 286 286 SER N N 366 117.450 117.450 114.633 2.817 17673 7183 1 19 . 1 1 286 286 SER HA H 366 4.460 4.460 4.475 -0.015 17673 7184 1 19 . 1 1 286 286 SER CA C 366 58.330 58.330 56.767 1.563 17673 7185 1 19 . 1 1 286 286 SER CB C 366 64.030 64.030 65.491 -1.461 17673 7186 1 19 . 1 1 286 286 SER H H 366 8.287 8.287 7.743 0.544 17673 7187 1 19 . 1 1 287 287 SER N N 367 117.450 117.450 116.737 0.713 17673 7188 1 19 . 1 1 287 287 SER HA H 367 4.460 4.460 4.467 -0.007 17673 7189 1 19 . 1 1 287 287 SER CA C 367 58.330 58.330 59.036 -0.706 17673 7190 1 19 . 1 1 287 287 SER CB C 367 64.030 64.030 63.213 0.817 17673 7191 1 19 . 1 1 287 287 SER H H 367 8.287 8.287 8.649 -0.362 17673 7192 1 19 . 1 1 292 292 LYS N N 372 123.390 123.390 122.116 1.274 17673 7193 1 19 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.362 -0.014 17673 7194 1 19 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.383 0.257 17673 7195 1 19 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.758 0.392 17673 7196 1 19 . 1 1 292 292 LYS H H 372 8.416 8.416 8.076 0.340 17673 7197 1 19 . 1 1 293 293 LYS N N 373 123.390 123.390 122.055 1.335 17673 7198 1 19 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.097 0.251 17673 7199 1 19 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.236 0.049 17673 7200 1 19 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.886 0.264 17673 7201 1 19 . 1 1 293 293 LYS H H 373 8.416 8.416 7.530 0.886 17673 7202 1 20 . 1 1 5 5 SER HA H 85 4.436 4.436 3.947 0.489 17673 7203 1 20 . 1 1 5 5 SER C C 85 173.840 173.840 173.337 0.503 17673 7204 1 20 . 1 1 5 5 SER CA C 85 58.100 58.100 57.814 0.286 17673 7205 1 20 . 1 1 5 5 SER CB C 85 64.010 64.010 63.979 0.031 17673 7206 1 20 . 1 1 6 6 GLU N N 86 122.440 122.440 121.277 1.163 17673 7207 1 20 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.350 -0.299 17673 7208 1 20 . 1 1 6 6 GLU C C 86 175.710 175.710 175.092 0.618 17673 7209 1 20 . 1 1 6 6 GLU CA C 86 57.119 57.119 54.913 2.205 17673 7210 1 20 . 1 1 6 6 GLU CB C 86 30.746 30.746 29.068 1.678 17673 7211 1 20 . 1 1 6 6 GLU H H 86 8.107 8.107 8.057 0.050 17673 7212 1 20 . 1 1 7 7 PHE N N 87 118.700 118.700 120.692 -1.992 17673 7213 1 20 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.397 0.476 17673 7214 1 20 . 1 1 7 7 PHE C C 87 174.600 174.600 175.574 -0.974 17673 7215 1 20 . 1 1 7 7 PHE CA C 87 57.125 57.125 59.676 -2.551 17673 7216 1 20 . 1 1 7 7 PHE CB C 87 40.769 40.769 39.091 1.678 17673 7217 1 20 . 1 1 7 7 PHE H H 87 7.598 7.598 7.400 0.198 17673 7218 1 20 . 1 1 8 8 GLN N N 88 118.630 118.630 122.586 -3.956 17673 7219 1 20 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.679 -0.001 17673 7220 1 20 . 1 1 8 8 GLN C C 88 175.670 175.670 175.086 0.584 17673 7221 1 20 . 1 1 8 8 GLN CA C 88 53.455 53.455 53.759 -0.304 17673 7222 1 20 . 1 1 8 8 GLN CB C 88 31.900 31.900 32.387 -0.487 17673 7223 1 20 . 1 1 8 8 GLN H H 88 8.906 8.906 8.171 0.735 17673 7224 1 20 . 1 1 9 9 ILE N N 89 118.880 118.880 120.688 -1.808 17673 7225 1 20 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.631 -0.235 17673 7226 1 20 . 1 1 9 9 ILE C C 89 177.130 177.130 176.436 0.694 17673 7227 1 20 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.968 -0.276 17673 7228 1 20 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.394 0.036 17673 7229 1 20 . 1 1 9 9 ILE H H 89 8.384 8.384 8.442 -0.058 17673 7230 1 20 . 1 1 10 10 ASN N N 90 119.090 119.090 118.977 0.113 17673 7231 1 20 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.348 -0.104 17673 7232 1 20 . 1 1 10 10 ASN C C 90 173.870 173.870 173.965 -0.095 17673 7233 1 20 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.815 0.875 17673 7234 1 20 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.228 0.172 17673 7235 1 20 . 1 1 10 10 ASN H H 90 9.136 9.136 8.968 0.168 17673 7236 1 20 . 1 1 11 11 GLU N N 91 122.200 122.200 117.944 4.256 17673 7237 1 20 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.614 -0.410 17673 7238 1 20 . 1 1 11 11 GLU C C 91 176.040 176.040 174.903 1.137 17673 7239 1 20 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.401 3.299 17673 7240 1 20 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.721 -1.341 17673 7241 1 20 . 1 1 11 11 GLU H H 91 8.157 8.157 7.808 0.349 17673 7242 1 20 . 1 1 12 12 GLN N N 92 124.360 124.360 119.911 4.449 17673 7243 1 20 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.144 -0.310 17673 7244 1 20 . 1 1 12 12 GLN C C 92 174.920 174.920 176.320 -1.400 17673 7245 1 20 . 1 1 12 12 GLN CA C 92 55.726 55.726 55.333 0.393 17673 7246 1 20 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.721 -0.729 17673 7247 1 20 . 1 1 12 12 GLN H H 92 8.605 8.605 8.715 -0.110 17673 7248 1 20 . 1 1 13 13 VAL N N 93 118.540 118.540 112.207 6.333 17673 7249 1 20 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.448 0.255 17673 7250 1 20 . 1 1 13 13 VAL C C 93 174.780 174.780 174.041 0.739 17673 7251 1 20 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.832 -0.299 17673 7252 1 20 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.370 0.617 17673 7253 1 20 . 1 1 13 13 VAL H H 93 8.997 8.997 9.007 -0.010 17673 7254 1 20 . 1 1 14 14 LEU N N 94 118.610 118.610 120.780 -2.170 17673 7255 1 20 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.189 -0.187 17673 7256 1 20 . 1 1 14 14 LEU C C 94 175.290 175.290 175.389 -0.099 17673 7257 1 20 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.580 0.278 17673 7258 1 20 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.232 1.426 17673 7259 1 20 . 1 1 14 14 LEU H H 94 8.618 8.618 8.617 0.001 17673 7260 1 20 . 1 1 15 15 ALA N N 95 122.870 122.870 126.807 -3.937 17673 7261 1 20 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.523 0.342 17673 7262 1 20 . 1 1 15 15 ALA C C 95 176.220 176.220 176.742 -0.522 17673 7263 1 20 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.230 -0.280 17673 7264 1 20 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.770 0.370 17673 7265 1 20 . 1 1 15 15 ALA H H 95 9.335 9.335 9.407 -0.072 17673 7266 1 20 . 1 1 16 16 SER N N 96 117.200 117.200 119.180 -1.980 17673 7267 1 20 . 1 1 16 16 SER HA H 96 4.520 4.520 4.699 -0.179 17673 7268 1 20 . 1 1 16 16 SER C C 96 174.250 174.250 173.452 0.798 17673 7269 1 20 . 1 1 16 16 SER CA C 96 57.245 57.245 59.675 -2.430 17673 7270 1 20 . 1 1 16 16 SER CB C 96 63.974 63.974 63.913 0.061 17673 7271 1 20 . 1 1 16 16 SER H H 96 8.513 8.513 8.948 -0.435 17673 7272 1 20 . 1 1 17 17 TRP N N 97 125.340 125.340 128.591 -3.251 17673 7273 1 20 . 1 1 17 17 TRP HA H 97 5.237 5.237 5.063 0.174 17673 7274 1 20 . 1 1 17 17 TRP C C 97 176.630 176.630 176.823 -0.193 17673 7275 1 20 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.345 -1.455 17673 7276 1 20 . 1 1 17 17 TRP CB C 97 31.020 31.020 31.823 -0.803 17673 7277 1 20 . 1 1 17 17 TRP H H 97 8.621 8.621 8.779 -0.158 17673 7278 1 20 . 1 1 18 18 SER N N 98 118.120 118.120 118.979 -0.859 17673 7279 1 20 . 1 1 18 18 SER HA H 98 3.912 3.912 3.957 -0.045 17673 7280 1 20 . 1 1 18 18 SER C C 98 173.650 173.650 175.349 -1.699 17673 7281 1 20 . 1 1 18 18 SER CA C 98 59.400 59.400 60.590 -1.190 17673 7282 1 20 . 1 1 18 18 SER CB C 98 62.330 62.330 62.988 -0.658 17673 7283 1 20 . 1 1 18 18 SER H H 98 6.530 6.530 8.432 -1.902 17673 7284 1 20 . 1 1 19 19 ASP N N 99 119.980 119.980 118.427 1.553 17673 7285 1 20 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.242 0.198 17673 7286 1 20 . 1 1 19 19 ASP C C 99 176.200 176.200 176.638 -0.438 17673 7287 1 20 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.930 -2.510 17673 7288 1 20 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.353 -1.163 17673 7289 1 20 . 1 1 19 19 ASP H H 99 7.834 7.834 7.562 0.272 17673 7290 1 20 . 1 1 20 20 SER N N 100 110.670 110.670 109.829 0.841 17673 7291 1 20 . 1 1 20 20 SER HA H 100 3.923 3.923 4.479 -0.556 17673 7292 1 20 . 1 1 20 20 SER C C 100 173.090 173.090 173.815 -0.725 17673 7293 1 20 . 1 1 20 20 SER CA C 100 60.410 60.410 58.905 1.505 17673 7294 1 20 . 1 1 20 20 SER CB C 100 62.350 62.350 64.592 -2.242 17673 7295 1 20 . 1 1 20 20 SER H H 100 8.127 8.127 8.380 -0.253 17673 7296 1 20 . 1 1 21 21 ARG N N 101 120.850 120.850 120.747 0.103 17673 7297 1 20 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.368 0.103 17673 7298 1 20 . 1 1 21 21 ARG C C 101 174.190 174.190 174.773 -0.583 17673 7299 1 20 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.551 0.459 17673 7300 1 20 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.655 0.345 17673 7301 1 20 . 1 1 21 21 ARG H H 101 8.097 8.097 8.054 0.043 17673 7302 1 20 . 1 1 22 22 PHE N N 102 118.370 118.370 119.538 -1.168 17673 7303 1 20 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.397 0.436 17673 7304 1 20 . 1 1 22 22 PHE C C 102 175.840 175.840 175.335 0.505 17673 7305 1 20 . 1 1 22 22 PHE CA C 102 57.740 57.740 59.608 -1.868 17673 7306 1 20 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.486 2.534 17673 7307 1 20 . 1 1 22 22 PHE H H 102 8.400 8.400 7.660 0.740 17673 7308 1 20 . 1 1 23 23 TYR N N 103 119.450 119.450 121.883 -2.433 17673 7309 1 20 . 1 1 23 23 TYR HA H 103 5.140 5.140 4.979 0.161 17673 7310 1 20 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.765 -0.055 17673 7311 1 20 . 1 1 23 23 TYR CB C 103 41.660 41.660 41.874 -0.214 17673 7312 1 20 . 1 1 23 23 TYR H H 103 9.263 9.263 8.931 0.331 17673 7313 1 20 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.276 -0.248 17673 7314 1 20 . 1 1 24 24 PRO C C 104 175.500 175.500 175.829 -0.329 17673 7315 1 20 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.711 1.149 17673 7316 1 20 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.586 0.014 17673 7317 1 20 . 1 1 25 25 ALA N N 105 124.530 124.530 122.055 2.475 17673 7318 1 20 . 1 1 25 25 ALA HA H 105 4.798 4.798 4.010 0.788 17673 7319 1 20 . 1 1 25 25 ALA C C 105 174.470 174.470 174.689 -0.219 17673 7320 1 20 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.725 0.155 17673 7321 1 20 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.495 0.904 17673 7322 1 20 . 1 1 25 25 ALA H H 105 9.121 9.121 8.813 0.308 17673 7323 1 20 . 1 1 26 26 LYS N N 106 117.940 117.940 121.461 -3.521 17673 7324 1 20 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.647 0.570 17673 7325 1 20 . 1 1 26 26 LYS C C 106 176.420 176.420 175.940 0.480 17673 7326 1 20 . 1 1 26 26 LYS CA C 106 54.000 54.000 55.617 -1.617 17673 7327 1 20 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.198 1.882 17673 7328 1 20 . 1 1 26 26 LYS H H 106 8.064 8.064 8.325 -0.261 17673 7329 1 20 . 1 1 27 27 VAL N N 107 123.950 123.950 126.725 -2.775 17673 7330 1 20 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.145 -0.189 17673 7331 1 20 . 1 1 27 27 VAL C C 107 177.040 177.040 176.541 0.499 17673 7332 1 20 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.890 0.170 17673 7333 1 20 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.752 0.178 17673 7334 1 20 . 1 1 27 27 VAL H H 107 8.264 8.264 8.819 -0.555 17673 7335 1 20 . 1 1 28 28 THR N N 108 121.600 121.600 119.746 1.854 17673 7336 1 20 . 1 1 28 28 THR HA H 108 4.680 4.680 4.518 0.162 17673 7337 1 20 . 1 1 28 28 THR C C 108 175.270 175.270 174.641 0.629 17673 7338 1 20 . 1 1 28 28 THR CA C 108 62.180 62.180 61.733 0.447 17673 7339 1 20 . 1 1 28 28 THR CB C 108 68.940 68.940 70.171 -1.230 17673 7340 1 20 . 1 1 28 28 THR H H 108 9.633 9.633 8.794 0.839 17673 7341 1 20 . 1 1 29 29 ALA N N 109 123.390 123.390 123.474 -0.084 17673 7342 1 20 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.617 -0.178 17673 7343 1 20 . 1 1 29 29 ALA C C 109 174.910 174.910 174.910 0.000 17673 7344 1 20 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.766 1.644 17673 7345 1 20 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.294 0.921 17673 7346 1 20 . 1 1 29 29 ALA H H 109 8.058 8.058 7.888 0.170 17673 7347 1 20 . 1 1 30 30 VAL N N 110 123.310 123.310 118.789 4.521 17673 7348 1 20 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.148 -0.048 17673 7349 1 20 . 1 1 30 30 VAL C C 110 175.510 175.510 174.403 1.107 17673 7350 1 20 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.020 1.660 17673 7351 1 20 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.273 -2.543 17673 7352 1 20 . 1 1 30 30 VAL H H 110 8.541 8.541 8.241 0.300 17673 7353 1 20 . 1 1 31 31 ASN N N 111 123.230 123.230 123.865 -0.635 17673 7354 1 20 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.963 -0.026 17673 7355 1 20 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.110 0.985 17673 7356 1 20 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.357 -0.807 17673 7357 1 20 . 1 1 31 31 ASN H H 111 7.957 7.957 8.625 -0.668 17673 7358 1 20 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.890 0.294 17673 7359 1 20 . 1 1 32 32 LYS C C 112 176.120 176.120 177.175 -1.055 17673 7360 1 20 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.671 -0.361 17673 7361 1 20 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.389 -0.479 17673 7362 1 20 . 1 1 33 33 ASP N N 113 117.410 117.410 116.659 0.751 17673 7363 1 20 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.418 0.114 17673 7364 1 20 . 1 1 33 33 ASP C C 113 177.040 177.040 177.016 0.024 17673 7365 1 20 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.172 -2.285 17673 7366 1 20 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.073 -1.083 17673 7367 1 20 . 1 1 33 33 ASP H H 113 7.867 7.867 8.076 -0.209 17673 7368 1 20 . 1 1 34 34 GLY N N 114 107.300 107.300 105.687 1.613 17673 7369 1 20 . 1 1 34 34 GLY C C 114 174.640 174.640 173.302 1.338 17673 7370 1 20 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.857 0.933 17673 7371 1 20 . 1 1 34 34 GLY H H 114 7.944 7.944 8.026 -0.082 17673 7372 1 20 . 1 1 35 35 THR N N 115 108.940 108.940 111.754 -2.814 17673 7373 1 20 . 1 1 35 35 THR HA H 115 4.824 4.824 5.362 -0.538 17673 7374 1 20 . 1 1 35 35 THR C C 115 173.650 173.650 172.224 1.426 17673 7375 1 20 . 1 1 35 35 THR CA C 115 60.640 60.640 59.802 0.838 17673 7376 1 20 . 1 1 35 35 THR CB C 115 72.740 72.740 72.221 0.519 17673 7377 1 20 . 1 1 35 35 THR H H 115 7.381 7.381 7.852 -0.471 17673 7378 1 20 . 1 1 36 36 TYR N N 116 116.170 116.170 117.776 -1.606 17673 7379 1 20 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.957 0.218 17673 7380 1 20 . 1 1 36 36 TYR C C 116 175.890 175.890 174.311 1.579 17673 7381 1 20 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.416 -0.406 17673 7382 1 20 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.874 -1.704 17673 7383 1 20 . 1 1 36 36 TYR H H 116 9.058 9.058 9.367 -0.309 17673 7384 1 20 . 1 1 37 37 THR N N 117 120.780 120.780 118.577 2.203 17673 7385 1 20 . 1 1 37 37 THR HA H 117 5.116 5.116 5.335 -0.219 17673 7386 1 20 . 1 1 37 37 THR C C 117 173.990 173.990 173.514 0.476 17673 7387 1 20 . 1 1 37 37 THR CA C 117 63.060 63.060 61.294 1.766 17673 7388 1 20 . 1 1 37 37 THR CB C 117 69.255 69.255 70.684 -1.429 17673 7389 1 20 . 1 1 37 37 THR H H 117 9.035 9.035 8.932 0.103 17673 7390 1 20 . 1 1 38 38 VAL N N 118 120.000 120.000 120.161 -0.161 17673 7391 1 20 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.042 0.207 17673 7392 1 20 . 1 1 38 38 VAL C C 118 172.390 172.390 173.088 -0.698 17673 7393 1 20 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.529 -1.789 17673 7394 1 20 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.724 -0.794 17673 7395 1 20 . 1 1 38 38 VAL H H 118 9.183 9.183 8.999 0.184 17673 7396 1 20 . 1 1 39 39 LYS N N 119 121.000 121.000 121.995 -0.995 17673 7397 1 20 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.005 0.057 17673 7398 1 20 . 1 1 39 39 LYS C C 119 178.050 178.050 175.049 3.001 17673 7399 1 20 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.239 -0.029 17673 7400 1 20 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.670 -0.750 17673 7401 1 20 . 1 1 39 39 LYS H H 119 8.802 8.802 8.695 0.107 17673 7402 1 20 . 1 1 40 40 PHE N N 120 127.480 127.480 125.507 1.973 17673 7403 1 20 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.226 0.520 17673 7404 1 20 . 1 1 40 40 PHE C C 120 178.110 178.110 176.944 1.166 17673 7405 1 20 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.349 2.260 17673 7406 1 20 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.690 2.350 17673 7407 1 20 . 1 1 40 40 PHE H H 120 9.634 9.634 8.982 0.652 17673 7408 1 20 . 1 1 41 41 TYR N N 121 119.600 119.600 122.290 -2.690 17673 7409 1 20 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.200 0.204 17673 7410 1 20 . 1 1 41 41 TYR C C 121 174.890 174.890 176.803 -1.913 17673 7411 1 20 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.900 -0.988 17673 7412 1 20 . 1 1 41 41 TYR CB C 121 37.440 37.440 38.033 -0.593 17673 7413 1 20 . 1 1 41 41 TYR H H 121 8.679 8.679 8.166 0.513 17673 7414 1 20 . 1 1 42 42 ASP N N 122 117.780 117.780 117.723 0.057 17673 7415 1 20 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.492 -0.179 17673 7416 1 20 . 1 1 42 42 ASP C C 122 176.810 176.810 177.490 -0.680 17673 7417 1 20 . 1 1 42 42 ASP CA C 122 52.670 52.670 55.154 -2.484 17673 7418 1 20 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.120 -2.410 17673 7419 1 20 . 1 1 42 42 ASP H H 122 7.128 7.128 8.135 -1.007 17673 7420 1 20 . 1 1 43 43 GLY N N 123 108.200 108.200 106.534 1.666 17673 7421 1 20 . 1 1 43 43 GLY C C 123 173.670 173.670 174.164 -0.494 17673 7422 1 20 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.505 0.744 17673 7423 1 20 . 1 1 43 43 GLY H H 123 8.242 8.242 8.011 0.231 17673 7424 1 20 . 1 1 44 44 VAL N N 124 121.320 121.320 121.268 0.052 17673 7425 1 20 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.064 -0.221 17673 7426 1 20 . 1 1 44 44 VAL C C 124 174.610 174.610 175.038 -0.428 17673 7427 1 20 . 1 1 44 44 VAL CA C 124 63.970 63.970 63.230 0.740 17673 7428 1 20 . 1 1 44 44 VAL CB C 124 32.240 32.240 32.802 -0.562 17673 7429 1 20 . 1 1 44 44 VAL H H 124 6.877 6.877 7.807 -0.930 17673 7430 1 20 . 1 1 45 45 VAL N N 125 129.030 129.030 124.494 4.536 17673 7431 1 20 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.019 0.250 17673 7432 1 20 . 1 1 45 45 VAL C C 125 176.640 176.640 175.084 1.556 17673 7433 1 20 . 1 1 45 45 VAL CA C 125 61.080 61.080 61.008 0.072 17673 7434 1 20 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.843 -1.423 17673 7435 1 20 . 1 1 45 45 VAL H H 125 8.529 8.529 8.405 0.124 17673 7436 1 20 . 1 1 46 46 GLN N N 126 125.880 125.880 124.512 1.368 17673 7437 1 20 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.891 -0.054 17673 7438 1 20 . 1 1 46 46 GLN C C 126 173.960 173.960 174.156 -0.196 17673 7439 1 20 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.471 0.169 17673 7440 1 20 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.501 2.179 17673 7441 1 20 . 1 1 46 46 GLN H H 126 8.989 8.989 9.047 -0.058 17673 7442 1 20 . 1 1 47 47 THR N N 127 121.970 121.970 119.141 2.829 17673 7443 1 20 . 1 1 47 47 THR HA H 127 5.347 5.347 5.352 -0.005 17673 7444 1 20 . 1 1 47 47 THR C C 127 174.500 174.500 174.197 0.303 17673 7445 1 20 . 1 1 47 47 THR CA C 127 62.730 62.730 61.443 1.288 17673 7446 1 20 . 1 1 47 47 THR CB C 127 69.540 69.540 69.764 -0.224 17673 7447 1 20 . 1 1 47 47 THR H H 127 8.912 8.912 8.546 0.366 17673 7448 1 20 . 1 1 48 48 VAL N N 128 121.810 121.810 120.611 1.199 17673 7449 1 20 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.054 -0.052 17673 7450 1 20 . 1 1 48 48 VAL C C 128 174.840 174.840 174.113 0.727 17673 7451 1 20 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.343 -0.293 17673 7452 1 20 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.424 0.416 17673 7453 1 20 . 1 1 48 48 VAL H H 128 9.513 9.513 9.282 0.231 17673 7454 1 20 . 1 1 49 49 LYS N N 129 121.050 121.050 118.791 2.259 17673 7455 1 20 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.968 -0.532 17673 7456 1 20 . 1 1 49 49 LYS C C 129 178.110 178.110 178.177 -0.067 17673 7457 1 20 . 1 1 49 49 LYS CA C 129 57.110 57.110 54.926 2.183 17673 7458 1 20 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.306 -0.136 17673 7459 1 20 . 1 1 49 49 LYS H H 129 9.021 9.021 8.775 0.246 17673 7460 1 20 . 1 1 50 50 HIS N N 130 119.600 119.600 120.829 -1.229 17673 7461 1 20 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.436 0.040 17673 7462 1 20 . 1 1 50 50 HIS C C 130 176.820 176.820 177.623 -0.803 17673 7463 1 20 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.477 0.872 17673 7464 1 20 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.235 0.225 17673 7465 1 20 . 1 1 50 50 HIS H H 130 8.679 8.679 8.732 -0.053 17673 7466 1 20 . 1 1 51 51 ILE N N 131 109.320 109.320 112.933 -3.613 17673 7467 1 20 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.702 0.558 17673 7468 1 20 . 1 1 51 51 ILE C C 131 176.350 176.350 175.466 0.884 17673 7469 1 20 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.463 0.247 17673 7470 1 20 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.764 1.296 17673 7471 1 20 . 1 1 51 51 ILE H H 131 6.790 6.790 8.217 -1.427 17673 7472 1 20 . 1 1 52 52 HIS N N 132 121.710 121.710 115.420 6.290 17673 7473 1 20 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.826 0.146 17673 7474 1 20 . 1 1 52 52 HIS C C 132 172.680 172.680 173.993 -1.313 17673 7475 1 20 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.727 -0.617 17673 7476 1 20 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.742 0.088 17673 7477 1 20 . 1 1 52 52 HIS H H 132 8.064 8.064 7.711 0.353 17673 7478 1 20 . 1 1 53 53 VAL N N 133 118.360 118.360 117.470 0.890 17673 7479 1 20 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.163 -0.159 17673 7480 1 20 . 1 1 53 53 VAL C C 133 173.990 173.990 174.144 -0.154 17673 7481 1 20 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.595 0.705 17673 7482 1 20 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.853 -0.803 17673 7483 1 20 . 1 1 53 53 VAL H H 133 7.614 7.614 7.463 0.151 17673 7484 1 20 . 1 1 54 54 LYS N N 134 123.720 123.720 120.764 2.956 17673 7485 1 20 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.687 0.133 17673 7486 1 20 . 1 1 54 54 LYS C C 134 173.820 173.820 174.315 -0.495 17673 7487 1 20 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.675 0.545 17673 7488 1 20 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.648 0.982 17673 7489 1 20 . 1 1 54 54 LYS H H 134 9.207 9.207 8.883 0.324 17673 7490 1 20 . 1 1 55 55 ALA N N 135 121.610 121.610 121.140 0.470 17673 7491 1 20 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.839 0.597 17673 7492 1 20 . 1 1 55 55 ALA C C 135 177.670 177.670 177.169 0.501 17673 7493 1 20 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.267 -0.066 17673 7494 1 20 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.910 0.200 17673 7495 1 20 . 1 1 55 55 ALA H H 135 8.560 8.560 8.366 0.194 17673 7496 1 20 . 1 1 56 56 PHE N N 136 120.080 120.080 118.708 1.372 17673 7497 1 20 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.025 0.238 17673 7498 1 20 . 1 1 56 56 PHE C C 136 175.380 175.380 176.098 -0.718 17673 7499 1 20 . 1 1 56 56 PHE CA C 136 58.860 58.860 59.238 -0.378 17673 7500 1 20 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.122 1.028 17673 7501 1 20 . 1 1 56 56 PHE H H 136 8.680 8.680 7.586 1.094 17673 7502 1 20 . 1 1 57 57 SER N N 137 117.820 117.820 114.421 3.399 17673 7503 1 20 . 1 1 57 57 SER HA H 137 4.367 4.367 4.170 0.197 17673 7504 1 20 . 1 1 57 57 SER CA C 137 57.350 57.350 58.682 -1.332 17673 7505 1 20 . 1 1 57 57 SER CB C 137 64.220 64.220 63.491 0.729 17673 7506 1 20 . 1 1 57 57 SER H H 137 7.298 7.298 7.364 -0.066 17673 7507 1 20 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.697 0.481 17673 7508 1 20 . 1 1 58 58 LYS C C 138 176.260 176.260 177.586 -1.326 17673 7509 1 20 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.579 -2.839 17673 7510 1 20 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.427 0.373 17673 7511 1 20 . 1 1 59 59 ASP N N 139 120.500 120.500 116.832 3.668 17673 7512 1 20 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.408 0.117 17673 7513 1 20 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.726 -1.086 17673 7514 1 20 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.292 -0.312 17673 7515 1 20 . 1 1 59 59 ASP H H 139 8.245 8.245 8.455 -0.210 17673 7516 1 20 . 1 1 60 60 GLN N N 140 120.290 120.290 116.040 4.250 17673 7517 1 20 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.500 -0.253 17673 7518 1 20 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.956 1.104 17673 7519 1 20 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.332 -2.942 17673 7520 1 20 . 1 1 60 60 GLN H H 140 8.212 8.212 8.194 0.018 17673 7521 1 20 . 1 1 61 61 ASN N N 141 121.710 121.710 118.719 2.991 17673 7522 1 20 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.774 -0.053 17673 7523 1 20 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.887 -0.808 17673 7524 1 20 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.747 -0.837 17673 7525 1 20 . 1 1 61 61 ASN H H 141 8.064 8.064 8.684 -0.620 17673 7526 1 20 . 1 1 62 62 ILE N N 142 120.890 120.890 121.116 -0.226 17673 7527 1 20 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.356 -0.184 17673 7528 1 20 . 1 1 62 62 ILE C C 142 176.330 176.330 174.439 1.891 17673 7529 1 20 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.036 0.314 17673 7530 1 20 . 1 1 62 62 ILE CB C 142 38.575 38.575 37.788 0.788 17673 7531 1 20 . 1 1 62 62 ILE H H 142 8.010 8.010 8.998 -0.988 17673 7532 1 20 . 1 1 63 63 VAL N N 143 123.520 123.520 120.093 3.427 17673 7533 1 20 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.394 -0.286 17673 7534 1 20 . 1 1 63 63 VAL C C 143 176.740 176.740 177.087 -0.347 17673 7535 1 20 . 1 1 63 63 VAL CA C 143 62.710 62.710 64.203 -1.492 17673 7536 1 20 . 1 1 63 63 VAL CB C 143 32.570 32.570 34.711 -2.141 17673 7537 1 20 . 1 1 63 63 VAL H H 143 8.157 8.157 8.864 -0.707 17673 7538 1 20 . 1 1 64 64 GLY N N 144 112.060 112.060 109.508 2.552 17673 7539 1 20 . 1 1 64 64 GLY C C 144 173.940 173.940 173.666 0.274 17673 7540 1 20 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.357 -0.877 17673 7541 1 20 . 1 1 64 64 GLY H H 144 8.408 8.408 8.120 0.288 17673 7542 1 20 . 1 1 65 65 ASN N N 145 118.830 118.830 118.011 0.819 17673 7543 1 20 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.675 0.041 17673 7544 1 20 . 1 1 65 65 ASN C C 145 175.220 175.220 173.368 1.852 17673 7545 1 20 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.301 0.859 17673 7546 1 20 . 1 1 65 65 ASN CB C 145 39.000 39.000 38.901 0.099 17673 7547 1 20 . 1 1 65 65 ASN H H 145 8.305 8.305 8.357 -0.052 17673 7548 1 20 . 1 1 66 66 ALA N N 146 124.400 124.400 123.690 0.710 17673 7549 1 20 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.224 0.116 17673 7550 1 20 . 1 1 66 66 ALA C C 146 177.870 177.870 177.385 0.485 17673 7551 1 20 . 1 1 66 66 ALA CA C 146 53.020 53.020 53.079 -0.059 17673 7552 1 20 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.167 -0.077 17673 7553 1 20 . 1 1 66 66 ALA H H 146 8.341 8.341 8.375 -0.034 17673 7554 1 20 . 1 1 284 284 ALA N N 364 124.540 124.540 125.467 -0.927 17673 7555 1 20 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.599 -0.335 17673 7556 1 20 . 1 1 284 284 ALA CA C 364 52.655 52.655 51.999 0.656 17673 7557 1 20 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.704 -1.574 17673 7558 1 20 . 1 1 284 284 ALA H H 364 8.267 8.267 8.560 -0.293 17673 7559 1 20 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.354 0.470 17673 7560 1 20 . 1 1 285 285 HIS H H 365 8.447 8.447 7.843 0.604 17673 7561 1 20 . 1 1 286 286 SER N N 366 117.450 117.450 114.326 3.124 17673 7562 1 20 . 1 1 286 286 SER HA H 366 4.460 4.460 4.642 -0.182 17673 7563 1 20 . 1 1 286 286 SER CA C 366 58.330 58.330 57.313 1.017 17673 7564 1 20 . 1 1 286 286 SER CB C 366 64.030 64.030 66.110 -2.080 17673 7565 1 20 . 1 1 286 286 SER H H 366 8.287 8.287 7.983 0.304 17673 7566 1 20 . 1 1 287 287 SER N N 367 117.450 117.450 115.457 1.993 17673 7567 1 20 . 1 1 287 287 SER HA H 367 4.460 4.460 4.488 -0.028 17673 7568 1 20 . 1 1 287 287 SER CA C 367 58.330 58.330 58.911 -0.581 17673 7569 1 20 . 1 1 287 287 SER CB C 367 64.030 64.030 63.148 0.882 17673 7570 1 20 . 1 1 287 287 SER H H 367 8.287 8.287 8.459 -0.172 17673 7571 1 20 . 1 1 292 292 LYS N N 372 123.390 123.390 125.321 -1.931 17673 7572 1 20 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.271 0.077 17673 7573 1 20 . 1 1 292 292 LYS CA C 372 56.640 56.640 55.976 0.664 17673 7574 1 20 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.255 0.895 17673 7575 1 20 . 1 1 292 292 LYS H H 372 8.416 8.416 8.213 0.203 17673 7576 1 20 . 1 1 293 293 LYS N N 373 123.390 123.390 120.415 2.975 17673 7577 1 20 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.016 0.332 17673 7578 1 20 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.455 -0.169 17673 7579 1 20 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.717 0.433 17673 7580 1 20 . 1 1 293 293 LYS H H 373 8.416 8.416 7.816 0.600 17673 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 63 2.718 -0.684 2.651 17673 2 1 1 "Average Difference" HA 71 0.335 -0.021 0.337 17673 3 1 1 "Average Difference" C 56 0.946 -0.168 0.940 17673 4 1 1 "Average Difference" CA 67 1.242 -0.101 1.247 17673 5 1 1 "Average Difference" CB 64 1.261 0.243 1.247 17673 6 1 1 "Average Difference" HN 64 0.487 0.030 0.490 17673 7 1 2 "Average Difference" N 63 2.853 -1.114 2.648 17673 8 1 2 "Average Difference" HA 71 0.325 -0.042 0.325 17673 9 1 2 "Average Difference" C 56 0.897 -0.143 0.894 17673 10 1 2 "Average Difference" CA 67 1.200 -0.105 1.205 17673 11 1 2 "Average Difference" CB 64 1.316 0.027 1.326 17673 12 1 2 "Average Difference" HN 64 0.507 -0.005 0.511 17673 13 1 3 "Average Difference" N 63 2.690 -0.796 2.590 17673 14 1 3 "Average Difference" HA 71 0.278 -0.028 0.279 17673 15 1 3 "Average Difference" C 56 0.993 -0.169 0.988 17673 16 1 3 "Average Difference" CA 67 1.208 -0.082 1.215 17673 17 1 3 "Average Difference" CB 64 1.207 0.276 1.184 17673 18 1 3 "Average Difference" HN 64 0.523 0.037 0.526 17673 19 1 4 "Average Difference" N 63 2.697 -0.906 2.561 17673 20 1 4 "Average Difference" HA 71 0.289 -0.037 0.289 17673 21 1 4 "Average Difference" C 56 0.970 -0.097 0.974 17673 22 1 4 "Average Difference" CA 67 1.292 0.013 1.302 17673 23 1 4 "Average Difference" CB 64 1.179 0.168 1.177 17673 24 1 4 "Average Difference" HN 64 0.507 0.022 0.511 17673 25 1 5 "Average Difference" N 63 2.568 -0.651 2.504 17673 26 1 5 "Average Difference" HA 71 0.295 -0.042 0.294 17673 27 1 5 "Average Difference" C 56 0.965 -0.130 0.965 17673 28 1 5 "Average Difference" CA 67 1.265 -0.070 1.273 17673 29 1 5 "Average Difference" CB 64 1.207 0.252 1.190 17673 30 1 5 "Average Difference" HN 64 0.528 0.030 0.531 17673 31 1 6 "Average Difference" N 63 2.744 -0.980 2.584 17673 32 1 6 "Average Difference" HA 71 0.284 -0.035 0.284 17673 33 1 6 "Average Difference" C 56 0.926 -0.088 0.930 17673 34 1 6 "Average Difference" CA 67 1.203 -0.003 1.212 17673 35 1 6 "Average Difference" CB 64 1.305 0.167 1.305 17673 36 1 6 "Average Difference" HN 64 0.534 0.002 0.538 17673 37 1 7 "Average Difference" N 63 2.508 -0.853 2.377 17673 38 1 7 "Average Difference" HA 71 0.288 -0.036 0.288 17673 39 1 7 "Average Difference" C 56 0.982 -0.111 0.984 17673 40 1 7 "Average Difference" CA 67 1.264 0.056 1.273 17673 41 1 7 "Average Difference" CB 64 1.301 0.082 1.309 17673 42 1 7 "Average Difference" HN 64 0.541 0.022 0.544 17673 43 1 8 "Average Difference" N 63 2.657 -0.937 2.507 17673 44 1 8 "Average Difference" HA 71 0.329 -0.052 0.328 17673 45 1 8 "Average Difference" C 56 0.904 -0.093 0.908 17673 46 1 8 "Average Difference" CA 67 1.220 0.003 1.229 17673 47 1 8 "Average Difference" CB 64 1.379 0.117 1.385 17673 48 1 8 "Average Difference" HN 64 0.482 0.052 0.483 17673 49 1 9 "Average Difference" N 63 2.780 -0.876 2.660 17673 50 1 9 "Average Difference" HA 71 0.306 -0.029 0.307 17673 51 1 9 "Average Difference" C 56 0.960 -0.115 0.962 17673 52 1 9 "Average Difference" CA 67 1.228 -0.116 1.231 17673 53 1 9 "Average Difference" CB 64 1.169 0.209 1.159 17673 54 1 9 "Average Difference" HN 64 0.506 0.021 0.510 17673 55 1 10 "Average Difference" N 63 2.689 -0.791 2.590 17673 56 1 10 "Average Difference" HA 71 0.317 -0.044 0.316 17673 57 1 10 "Average Difference" C 56 0.933 -0.144 0.931 17673 58 1 10 "Average Difference" CA 67 1.269 -0.019 1.278 17673 59 1 10 "Average Difference" CB 64 1.360 0.161 1.361 17673 60 1 10 "Average Difference" HN 64 0.507 0.039 0.510 17673 61 1 11 "Average Difference" N 63 2.763 -0.795 2.668 17673 62 1 11 "Average Difference" HA 71 0.318 -0.052 0.316 17673 63 1 11 "Average Difference" C 56 0.909 -0.153 0.904 17673 64 1 11 "Average Difference" CA 67 1.206 -0.104 1.210 17673 65 1 11 "Average Difference" CB 64 1.295 0.063 1.304 17673 66 1 11 "Average Difference" HN 64 0.515 0.024 0.519 17673 67 1 12 "Average Difference" N 63 3.004 -1.126 2.808 17673 68 1 12 "Average Difference" HA 71 0.319 -0.048 0.318 17673 69 1 12 "Average Difference" C 56 0.981 -0.111 0.983 17673 70 1 12 "Average Difference" CA 67 1.270 0.004 1.280 17673 71 1 12 "Average Difference" CB 64 1.368 0.040 1.378 17673 72 1 12 "Average Difference" HN 64 0.483 0.007 0.487 17673 73 1 13 "Average Difference" N 63 2.670 -0.783 2.574 17673 74 1 13 "Average Difference" HA 71 0.287 -0.027 0.287 17673 75 1 13 "Average Difference" C 56 1.000 -0.152 0.997 17673 76 1 13 "Average Difference" CA 67 1.263 -0.094 1.269 17673 77 1 13 "Average Difference" CB 64 1.170 0.268 1.147 17673 78 1 13 "Average Difference" HN 64 0.515 0.035 0.518 17673 79 1 14 "Average Difference" N 63 3.004 -1.090 2.821 17673 80 1 14 "Average Difference" HA 71 0.294 -0.047 0.292 17673 81 1 14 "Average Difference" C 56 0.909 -0.107 0.911 17673 82 1 14 "Average Difference" CA 67 1.249 0.053 1.257 17673 83 1 14 "Average Difference" CB 64 1.306 0.086 1.313 17673 84 1 14 "Average Difference" HN 64 0.495 -0.011 0.499 17673 85 1 15 "Average Difference" N 63 2.797 -0.837 2.691 17673 86 1 15 "Average Difference" HA 71 0.310 -0.037 0.310 17673 87 1 15 "Average Difference" C 56 0.954 -0.114 0.956 17673 88 1 15 "Average Difference" CA 67 1.229 -0.040 1.238 17673 89 1 15 "Average Difference" CB 64 1.150 0.257 1.130 17673 90 1 15 "Average Difference" HN 64 0.519 0.032 0.523 17673 91 1 16 "Average Difference" N 63 2.774 -1.060 2.584 17673 92 1 16 "Average Difference" HA 71 0.344 -0.031 0.345 17673 93 1 16 "Average Difference" C 56 0.926 -0.168 0.919 17673 94 1 16 "Average Difference" CA 67 1.293 -0.123 1.297 17673 95 1 16 "Average Difference" CB 64 1.502 0.246 1.493 17673 96 1 16 "Average Difference" HN 64 0.524 -0.024 0.527 17673 97 1 17 "Average Difference" N 63 2.765 -0.885 2.640 17673 98 1 17 "Average Difference" HA 71 0.309 -0.064 0.304 17673 99 1 17 "Average Difference" C 56 0.978 -0.052 0.986 17673 100 1 17 "Average Difference" CA 67 1.218 0.037 1.227 17673 101 1 17 "Average Difference" CB 64 1.197 0.057 1.205 17673 102 1 17 "Average Difference" HN 64 0.556 -0.039 0.559 17673 103 1 18 "Average Difference" N 63 2.880 -1.005 2.720 17673 104 1 18 "Average Difference" HA 71 0.324 -0.064 0.320 17673 105 1 18 "Average Difference" C 56 0.939 -0.057 0.946 17673 106 1 18 "Average Difference" CA 67 1.268 0.033 1.277 17673 107 1 18 "Average Difference" CB 64 1.350 0.034 1.360 17673 108 1 18 "Average Difference" HN 64 0.541 -0.054 0.543 17673 109 1 19 "Average Difference" N 63 2.541 -0.655 2.475 17673 110 1 19 "Average Difference" HA 71 0.277 -0.021 0.278 17673 111 1 19 "Average Difference" C 56 1.016 -0.195 1.006 17673 112 1 19 "Average Difference" CA 67 1.279 -0.074 1.287 17673 113 1 19 "Average Difference" CB 64 1.240 0.186 1.235 17673 114 1 19 "Average Difference" HN 64 0.536 0.018 0.540 17673 115 1 20 "Average Difference" N 63 2.623 -0.687 2.552 17673 116 1 20 "Average Difference" HA 71 0.306 -0.059 0.303 17673 117 1 20 "Average Difference" C 56 0.974 -0.140 0.973 17673 118 1 20 "Average Difference" CA 67 1.284 0.004 1.294 17673 119 1 20 "Average Difference" CB 64 1.211 0.129 1.214 17673 120 1 20 "Average Difference" HN 64 0.514 0.012 0.518 17673 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 17673 _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 5 5 SER HA H 85 4.436 4.436 4.198 0.238 17673 2 1 . 1 1 5 5 SER C C 85 173.840 173.840 173.219 0.621 17673 3 1 . 1 1 5 5 SER CA C 85 58.100 58.100 58.338 -0.238 17673 4 1 . 1 1 5 5 SER CB C 85 64.010 64.010 63.514 0.496 17673 5 1 . 1 1 6 6 GLU N N 86 122.440 122.440 120.431 2.009 17673 6 1 . 1 1 6 6 GLU HA H 86 4.051 4.051 4.210 -0.159 17673 7 1 . 1 1 6 6 GLU C C 86 175.710 175.710 175.129 0.581 17673 8 1 . 1 1 6 6 GLU CA C 86 57.119 57.119 55.746 1.373 17673 9 1 . 1 1 6 6 GLU CB C 86 30.746 30.746 31.169 -0.423 17673 10 1 . 1 1 6 6 GLU H H 86 8.107 8.107 8.151 -0.044 17673 11 1 . 1 1 7 7 PHE N N 87 118.700 118.700 118.342 0.358 17673 12 1 . 1 1 7 7 PHE HA H 87 4.873 4.873 4.460 0.413 17673 13 1 . 1 1 7 7 PHE C C 87 174.600 174.600 174.812 -0.212 17673 14 1 . 1 1 7 7 PHE CA C 87 57.125 57.125 58.248 -1.123 17673 15 1 . 1 1 7 7 PHE CB C 87 40.769 40.769 38.119 2.650 17673 16 1 . 1 1 7 7 PHE H H 87 7.598 7.598 8.129 -0.531 17673 17 1 . 1 1 8 8 GLN N N 88 118.630 118.630 118.959 -0.329 17673 18 1 . 1 1 8 8 GLN HA H 88 4.678 4.678 4.627 0.051 17673 19 1 . 1 1 8 8 GLN C C 88 175.670 175.670 175.535 0.135 17673 20 1 . 1 1 8 8 GLN CA C 88 53.455 53.455 54.078 -0.623 17673 21 1 . 1 1 8 8 GLN CB C 88 31.900 31.900 31.234 0.666 17673 22 1 . 1 1 8 8 GLN H H 88 8.906 8.906 8.128 0.778 17673 23 1 . 1 1 9 9 ILE N N 89 118.880 118.880 120.753 -1.873 17673 24 1 . 1 1 9 9 ILE HA H 89 3.396 3.396 3.618 -0.222 17673 25 1 . 1 1 9 9 ILE C C 89 177.130 177.130 176.370 0.760 17673 26 1 . 1 1 9 9 ILE CA C 89 63.692 63.692 63.872 -0.180 17673 27 1 . 1 1 9 9 ILE CB C 89 37.430 37.430 37.442 -0.012 17673 28 1 . 1 1 9 9 ILE H H 89 8.384 8.384 8.352 0.032 17673 29 1 . 1 1 10 10 ASN N N 90 119.090 119.090 118.826 0.264 17673 30 1 . 1 1 10 10 ASN HA H 90 4.244 4.244 4.363 -0.119 17673 31 1 . 1 1 10 10 ASN C C 90 173.870 173.870 174.016 -0.146 17673 32 1 . 1 1 10 10 ASN CA C 90 55.690 55.690 54.856 0.834 17673 33 1 . 1 1 10 10 ASN CB C 90 37.400 37.400 37.096 0.304 17673 34 1 . 1 1 10 10 ASN H H 90 9.136 9.136 8.950 0.187 17673 35 1 . 1 1 11 11 GLU N N 91 122.200 122.200 118.209 3.991 17673 36 1 . 1 1 11 11 GLU HA H 91 4.204 4.204 4.671 -0.467 17673 37 1 . 1 1 11 11 GLU C C 91 176.040 176.040 174.949 1.091 17673 38 1 . 1 1 11 11 GLU CA C 91 57.700 57.700 54.319 3.381 17673 39 1 . 1 1 11 11 GLU CB C 91 31.380 31.380 32.675 -1.295 17673 40 1 . 1 1 11 11 GLU H H 91 8.157 8.157 7.821 0.336 17673 41 1 . 1 1 12 12 GLN N N 92 124.360 124.360 120.155 4.205 17673 42 1 . 1 1 12 12 GLN HA H 92 4.834 4.834 5.048 -0.214 17673 43 1 . 1 1 12 12 GLN C C 92 174.920 174.920 176.053 -1.133 17673 44 1 . 1 1 12 12 GLN CA C 92 55.726 55.726 56.809 -1.083 17673 45 1 . 1 1 12 12 GLN CB C 92 28.992 28.992 29.625 -0.633 17673 46 1 . 1 1 12 12 GLN H H 92 8.605 8.605 8.701 -0.096 17673 47 1 . 1 1 13 13 VAL N N 93 118.540 118.540 113.771 4.769 17673 48 1 . 1 1 13 13 VAL HA H 93 4.703 4.703 4.456 0.247 17673 49 1 . 1 1 13 13 VAL C C 93 174.780 174.780 173.864 0.916 17673 50 1 . 1 1 13 13 VAL CA C 93 59.533 59.533 59.999 -0.466 17673 51 1 . 1 1 13 13 VAL CB C 93 35.987 35.987 35.234 0.753 17673 52 1 . 1 1 13 13 VAL H H 93 8.997 8.997 9.015 -0.018 17673 53 1 . 1 1 14 14 LEU N N 94 118.610 118.610 121.086 -2.476 17673 54 1 . 1 1 14 14 LEU HA H 94 5.002 5.002 5.150 -0.148 17673 55 1 . 1 1 14 14 LEU C C 94 175.290 175.290 175.362 -0.072 17673 56 1 . 1 1 14 14 LEU CA C 94 53.858 53.858 53.588 0.271 17673 57 1 . 1 1 14 14 LEU CB C 94 44.658 44.658 43.238 1.420 17673 58 1 . 1 1 14 14 LEU H H 94 8.618 8.618 8.588 0.030 17673 59 1 . 1 1 15 15 ALA N N 95 122.870 122.870 126.326 -3.456 17673 60 1 . 1 1 15 15 ALA HA H 95 5.865 5.865 5.470 0.395 17673 61 1 . 1 1 15 15 ALA C C 95 176.220 176.220 176.698 -0.478 17673 62 1 . 1 1 15 15 ALA CA C 95 49.950 49.950 50.286 -0.336 17673 63 1 . 1 1 15 15 ALA CB C 95 23.140 23.140 22.835 0.305 17673 64 1 . 1 1 15 15 ALA H H 95 9.335 9.335 9.377 -0.042 17673 65 1 . 1 1 16 16 SER N N 96 117.200 117.200 120.005 -2.805 17673 66 1 . 1 1 16 16 SER HA H 96 4.520 4.520 4.612 -0.092 17673 67 1 . 1 1 16 16 SER C C 96 174.250 174.250 174.122 0.128 17673 68 1 . 1 1 16 16 SER CA C 96 57.245 57.245 59.393 -2.148 17673 69 1 . 1 1 16 16 SER CB C 96 63.974 63.974 63.542 0.432 17673 70 1 . 1 1 16 16 SER H H 96 8.513 8.513 8.900 -0.387 17673 71 1 . 1 1 17 17 TRP N N 97 125.340 125.340 129.529 -4.188 17673 72 1 . 1 1 17 17 TRP HA H 97 5.237 5.237 4.616 0.621 17673 73 1 . 1 1 17 17 TRP C C 97 176.630 176.630 177.024 -0.394 17673 74 1 . 1 1 17 17 TRP CA C 97 54.890 54.890 56.702 -1.812 17673 75 1 . 1 1 17 17 TRP CB C 97 31.020 31.020 30.757 0.263 17673 76 1 . 1 1 17 17 TRP H H 97 8.621 8.621 8.911 -0.290 17673 77 1 . 1 1 18 18 SER N N 98 118.120 118.120 118.372 -0.253 17673 78 1 . 1 1 18 18 SER HA H 98 3.912 3.912 3.944 -0.033 17673 79 1 . 1 1 18 18 SER C C 98 173.650 173.650 175.136 -1.486 17673 80 1 . 1 1 18 18 SER CA C 98 59.400 59.400 60.662 -1.262 17673 81 1 . 1 1 18 18 SER CB C 98 62.330 62.330 62.836 -0.506 17673 82 1 . 1 1 18 18 SER H H 98 6.530 6.530 8.205 -1.675 17673 83 1 . 1 1 19 19 ASP N N 99 119.980 119.980 118.769 1.211 17673 84 1 . 1 1 19 19 ASP HA H 99 4.440 4.440 4.249 0.191 17673 85 1 . 1 1 19 19 ASP C C 99 176.200 176.200 176.463 -0.263 17673 86 1 . 1 1 19 19 ASP CA C 99 53.420 53.420 55.699 -2.279 17673 87 1 . 1 1 19 19 ASP CB C 99 40.190 40.190 41.313 -1.123 17673 88 1 . 1 1 19 19 ASP H H 99 7.834 7.834 7.579 0.255 17673 89 1 . 1 1 20 20 SER N N 100 110.670 110.670 109.710 0.959 17673 90 1 . 1 1 20 20 SER HA H 100 3.923 3.923 4.398 -0.475 17673 91 1 . 1 1 20 20 SER C C 100 173.090 173.090 173.539 -0.449 17673 92 1 . 1 1 20 20 SER CA C 100 60.410 60.410 59.027 1.383 17673 93 1 . 1 1 20 20 SER CB C 100 62.350 62.350 64.187 -1.837 17673 94 1 . 1 1 20 20 SER H H 100 8.127 8.127 8.328 -0.201 17673 95 1 . 1 1 21 21 ARG N N 101 120.850 120.850 120.128 0.722 17673 96 1 . 1 1 21 21 ARG HA H 101 4.471 4.471 4.405 0.066 17673 97 1 . 1 1 21 21 ARG C C 101 174.190 174.190 174.642 -0.452 17673 98 1 . 1 1 21 21 ARG CA C 101 55.010 55.010 54.630 0.380 17673 99 1 . 1 1 21 21 ARG CB C 101 31.000 31.000 30.812 0.188 17673 100 1 . 1 1 21 21 ARG H H 101 8.097 8.097 7.975 0.122 17673 101 1 . 1 1 22 22 PHE N N 102 118.370 118.370 119.128 -0.758 17673 102 1 . 1 1 22 22 PHE HA H 102 4.833 4.833 4.658 0.175 17673 103 1 . 1 1 22 22 PHE C C 102 175.840 175.840 175.846 -0.006 17673 104 1 . 1 1 22 22 PHE CA C 102 57.740 57.740 58.563 -0.823 17673 105 1 . 1 1 22 22 PHE CB C 102 41.020 41.020 38.742 2.278 17673 106 1 . 1 1 22 22 PHE H H 102 8.400 8.400 7.876 0.524 17673 107 1 . 1 1 23 23 TYR N N 103 119.450 119.450 120.936 -1.486 17673 108 1 . 1 1 23 23 TYR HA H 103 5.140 5.140 5.210 -0.070 17673 109 1 . 1 1 23 23 TYR CA C 103 55.710 55.710 55.629 0.081 17673 110 1 . 1 1 23 23 TYR CB C 103 41.660 41.660 42.065 -0.405 17673 111 1 . 1 1 23 23 TYR H H 103 9.263 9.263 8.947 0.316 17673 112 1 . 1 1 24 24 PRO HA H 104 5.028 5.028 5.232 -0.204 17673 113 1 . 1 1 24 24 PRO C C 104 175.500 175.500 175.866 -0.366 17673 114 1 . 1 1 24 24 PRO CA C 104 63.860 63.860 62.784 1.076 17673 115 1 . 1 1 24 24 PRO CB C 104 32.600 32.600 32.568 0.032 17673 116 1 . 1 1 25 25 ALA N N 105 124.530 124.530 121.995 2.535 17673 117 1 . 1 1 25 25 ALA HA H 105 4.798 4.798 3.988 0.810 17673 118 1 . 1 1 25 25 ALA C C 105 174.470 174.470 174.553 -0.083 17673 119 1 . 1 1 25 25 ALA CA C 105 50.880 50.880 50.783 0.097 17673 120 1 . 1 1 25 25 ALA CB C 105 23.400 23.400 22.395 1.005 17673 121 1 . 1 1 25 25 ALA H H 105 9.121 9.121 8.790 0.331 17673 122 1 . 1 1 26 26 LYS N N 106 117.940 117.940 120.466 -2.526 17673 123 1 . 1 1 26 26 LYS HA H 106 5.217 5.217 4.932 0.285 17673 124 1 . 1 1 26 26 LYS C C 106 176.420 176.420 176.046 0.374 17673 125 1 . 1 1 26 26 LYS CA C 106 54.000 54.000 54.574 -0.574 17673 126 1 . 1 1 26 26 LYS CB C 106 36.080 36.080 34.926 1.154 17673 127 1 . 1 1 26 26 LYS H H 106 8.064 8.064 8.411 -0.347 17673 128 1 . 1 1 27 27 VAL N N 107 123.950 123.950 127.003 -3.053 17673 129 1 . 1 1 27 27 VAL HA H 107 3.956 3.956 4.077 -0.121 17673 130 1 . 1 1 27 27 VAL C C 107 177.040 177.040 176.752 0.287 17673 131 1 . 1 1 27 27 VAL CA C 107 64.060 64.060 63.859 0.200 17673 132 1 . 1 1 27 27 VAL CB C 107 31.930 31.930 31.640 0.290 17673 133 1 . 1 1 27 27 VAL H H 107 8.264 8.264 8.885 -0.620 17673 134 1 . 1 1 28 28 THR N N 108 121.600 121.600 118.308 3.292 17673 135 1 . 1 1 28 28 THR HA H 108 4.680 4.680 4.512 0.168 17673 136 1 . 1 1 28 28 THR C C 108 175.270 175.270 174.514 0.756 17673 137 1 . 1 1 28 28 THR CA C 108 62.180 62.180 61.491 0.688 17673 138 1 . 1 1 28 28 THR CB C 108 68.940 68.940 70.400 -1.460 17673 139 1 . 1 1 28 28 THR H H 108 9.633 9.633 8.904 0.729 17673 140 1 . 1 1 29 29 ALA N N 109 123.390 123.390 123.888 -0.498 17673 141 1 . 1 1 29 29 ALA HA H 109 4.439 4.439 4.612 -0.173 17673 142 1 . 1 1 29 29 ALA C C 109 174.910 174.910 174.839 0.071 17673 143 1 . 1 1 29 29 ALA CA C 109 53.410 53.410 51.799 1.611 17673 144 1 . 1 1 29 29 ALA CB C 109 22.215 22.215 21.503 0.712 17673 145 1 . 1 1 29 29 ALA H H 109 8.058 8.058 7.773 0.285 17673 146 1 . 1 1 30 30 VAL N N 110 123.310 123.310 118.697 4.613 17673 147 1 . 1 1 30 30 VAL HA H 110 4.100 4.100 4.140 -0.040 17673 148 1 . 1 1 30 30 VAL C C 110 175.510 175.510 174.458 1.052 17673 149 1 . 1 1 30 30 VAL CA C 110 62.680 62.680 61.091 1.589 17673 150 1 . 1 1 30 30 VAL CB C 110 32.730 32.730 35.219 -2.489 17673 151 1 . 1 1 30 30 VAL H H 110 8.541 8.541 8.238 0.303 17673 152 1 . 1 1 31 31 ASN N N 111 123.230 123.230 123.986 -0.756 17673 153 1 . 1 1 31 31 ASN HA H 111 4.937 4.937 4.973 -0.036 17673 154 1 . 1 1 31 31 ASN CA C 111 53.095 53.095 52.006 1.089 17673 155 1 . 1 1 31 31 ASN CB C 111 39.550 39.550 40.511 -0.961 17673 156 1 . 1 1 31 31 ASN H H 111 7.957 7.957 8.646 -0.689 17673 157 1 . 1 1 32 32 LYS HA H 112 4.184 4.184 3.931 0.253 17673 158 1 . 1 1 32 32 LYS C C 112 176.120 176.120 177.136 -1.016 17673 159 1 . 1 1 32 32 LYS CA C 112 58.310 58.310 58.391 -0.081 17673 160 1 . 1 1 32 32 LYS CB C 112 31.910 31.910 32.314 -0.404 17673 161 1 . 1 1 33 33 ASP N N 113 117.410 117.410 116.657 0.753 17673 162 1 . 1 1 33 33 ASP HA H 113 4.532 4.532 4.446 0.086 17673 163 1 . 1 1 33 33 ASP C C 113 177.040 177.040 177.101 -0.061 17673 164 1 . 1 1 33 33 ASP CA C 113 52.887 52.887 55.050 -2.163 17673 165 1 . 1 1 33 33 ASP CB C 113 39.990 39.990 41.106 -1.116 17673 166 1 . 1 1 33 33 ASP H H 113 7.867 7.867 8.085 -0.218 17673 167 1 . 1 1 34 34 GLY N N 114 107.300 107.300 105.920 1.380 17673 168 1 . 1 1 34 34 GLY C C 114 174.640 174.640 173.388 1.252 17673 169 1 . 1 1 34 34 GLY CA C 114 45.790 45.790 44.858 0.932 17673 170 1 . 1 1 34 34 GLY H H 114 7.944 7.944 8.051 -0.107 17673 171 1 . 1 1 35 35 THR N N 115 108.940 108.940 111.785 -2.845 17673 172 1 . 1 1 35 35 THR HA H 115 4.824 4.824 5.381 -0.557 17673 173 1 . 1 1 35 35 THR C C 115 173.650 173.650 172.271 1.379 17673 174 1 . 1 1 35 35 THR CA C 115 60.640 60.640 59.802 0.838 17673 175 1 . 1 1 35 35 THR CB C 115 72.740 72.740 72.243 0.497 17673 176 1 . 1 1 35 35 THR H H 115 7.381 7.381 7.788 -0.407 17673 177 1 . 1 1 36 36 TYR N N 116 116.170 116.170 118.096 -1.926 17673 178 1 . 1 1 36 36 TYR HA H 116 5.175 5.175 4.945 0.230 17673 179 1 . 1 1 36 36 TYR C C 116 175.890 175.890 174.273 1.616 17673 180 1 . 1 1 36 36 TYR CA C 116 57.010 57.010 57.563 -0.553 17673 181 1 . 1 1 36 36 TYR CB C 116 42.170 42.170 43.831 -1.661 17673 182 1 . 1 1 36 36 TYR H H 116 9.058 9.058 9.335 -0.277 17673 183 1 . 1 1 37 37 THR N N 117 120.780 120.780 118.659 2.121 17673 184 1 . 1 1 37 37 THR HA H 117 5.116 5.116 5.382 -0.266 17673 185 1 . 1 1 37 37 THR C C 117 173.990 173.990 173.336 0.654 17673 186 1 . 1 1 37 37 THR CA C 117 63.060 63.060 61.242 1.818 17673 187 1 . 1 1 37 37 THR CB C 117 69.255 69.255 70.907 -1.651 17673 188 1 . 1 1 37 37 THR H H 117 9.035 9.035 8.970 0.065 17673 189 1 . 1 1 38 38 VAL N N 118 120.000 120.000 119.507 0.493 17673 190 1 . 1 1 38 38 VAL HA H 118 5.249 5.249 5.082 0.167 17673 191 1 . 1 1 38 38 VAL C C 118 172.390 172.390 173.079 -0.689 17673 192 1 . 1 1 38 38 VAL CA C 118 57.740 57.740 59.318 -1.578 17673 193 1 . 1 1 38 38 VAL CB C 118 34.930 34.930 35.633 -0.703 17673 194 1 . 1 1 38 38 VAL H H 118 9.183 9.183 9.025 0.158 17673 195 1 . 1 1 39 39 LYS N N 119 121.000 121.000 121.752 -0.753 17673 196 1 . 1 1 39 39 LYS HA H 119 5.062 5.062 5.084 -0.022 17673 197 1 . 1 1 39 39 LYS C C 119 178.050 178.050 175.097 2.953 17673 198 1 . 1 1 39 39 LYS CA C 119 54.210 54.210 54.213 -0.003 17673 199 1 . 1 1 39 39 LYS CB C 119 34.920 34.920 35.920 -1.000 17673 200 1 . 1 1 39 39 LYS H H 119 8.802 8.802 8.728 0.074 17673 201 1 . 1 1 40 40 PHE N N 120 127.480 127.480 125.202 2.278 17673 202 1 . 1 1 40 40 PHE HA H 120 4.746 4.746 4.316 0.430 17673 203 1 . 1 1 40 40 PHE C C 120 178.110 178.110 176.930 1.180 17673 204 1 . 1 1 40 40 PHE CA C 120 59.610 59.610 57.342 2.268 17673 205 1 . 1 1 40 40 PHE CB C 120 42.040 42.040 39.964 2.076 17673 206 1 . 1 1 40 40 PHE H H 120 9.634 9.634 9.098 0.536 17673 207 1 . 1 1 41 41 TYR N N 121 119.600 119.600 122.423 -2.823 17673 208 1 . 1 1 41 41 TYR HA H 121 4.404 4.404 4.212 0.192 17673 209 1 . 1 1 41 41 TYR C C 121 174.890 174.890 176.880 -1.990 17673 210 1 . 1 1 41 41 TYR CA C 121 59.912 59.912 60.778 -0.866 17673 211 1 . 1 1 41 41 TYR CB C 121 37.440 37.440 37.982 -0.542 17673 212 1 . 1 1 41 41 TYR H H 121 8.679 8.679 8.287 0.392 17673 213 1 . 1 1 42 42 ASP N N 122 117.780 117.780 117.547 0.233 17673 214 1 . 1 1 42 42 ASP HA H 122 4.313 4.313 4.512 -0.199 17673 215 1 . 1 1 42 42 ASP C C 122 176.810 176.810 177.381 -0.571 17673 216 1 . 1 1 42 42 ASP CA C 122 52.670 52.670 54.973 -2.303 17673 217 1 . 1 1 42 42 ASP CB C 122 38.710 38.710 41.279 -2.569 17673 218 1 . 1 1 42 42 ASP H H 122 7.128 7.128 7.994 -0.866 17673 219 1 . 1 1 43 43 GLY N N 123 108.200 108.200 106.331 1.869 17673 220 1 . 1 1 43 43 GLY C C 123 173.670 173.670 174.132 -0.462 17673 221 1 . 1 1 43 43 GLY CA C 123 45.250 45.250 44.754 0.496 17673 222 1 . 1 1 43 43 GLY H H 123 8.242 8.242 8.009 0.233 17673 223 1 . 1 1 44 44 VAL N N 124 121.320 121.320 121.371 -0.051 17673 224 1 . 1 1 44 44 VAL HA H 124 3.843 3.843 4.165 -0.322 17673 225 1 . 1 1 44 44 VAL C C 124 174.610 174.610 175.161 -0.551 17673 226 1 . 1 1 44 44 VAL CA C 124 63.970 63.970 62.888 1.082 17673 227 1 . 1 1 44 44 VAL CB C 124 32.240 32.240 33.162 -0.922 17673 228 1 . 1 1 44 44 VAL H H 124 6.877 6.877 7.849 -0.972 17673 229 1 . 1 1 45 45 VAL N N 125 129.030 129.030 124.730 4.300 17673 230 1 . 1 1 45 45 VAL HA H 125 5.269 5.269 5.101 0.168 17673 231 1 . 1 1 45 45 VAL C C 125 176.640 176.640 175.218 1.422 17673 232 1 . 1 1 45 45 VAL CA C 125 61.080 61.080 60.830 0.250 17673 233 1 . 1 1 45 45 VAL CB C 125 33.420 33.420 34.826 -1.406 17673 234 1 . 1 1 45 45 VAL H H 125 8.529 8.529 8.419 0.110 17673 235 1 . 1 1 46 46 GLN N N 126 125.880 125.880 124.834 1.046 17673 236 1 . 1 1 46 46 GLN HA H 126 4.837 4.837 4.880 -0.043 17673 237 1 . 1 1 46 46 GLN C C 126 173.960 173.960 174.152 -0.192 17673 238 1 . 1 1 46 46 GLN CA C 126 54.640 54.640 54.389 0.251 17673 239 1 . 1 1 46 46 GLN CB C 126 34.680 34.680 32.412 2.268 17673 240 1 . 1 1 46 46 GLN H H 126 8.989 8.989 9.046 -0.057 17673 241 1 . 1 1 47 47 THR N N 127 121.970 121.970 119.019 2.951 17673 242 1 . 1 1 47 47 THR HA H 127 5.347 5.347 5.409 -0.062 17673 243 1 . 1 1 47 47 THR C C 127 174.500 174.500 174.174 0.326 17673 244 1 . 1 1 47 47 THR CA C 127 62.730 62.730 61.555 1.175 17673 245 1 . 1 1 47 47 THR CB C 127 69.540 69.540 69.831 -0.291 17673 246 1 . 1 1 47 47 THR H H 127 8.912 8.912 8.523 0.389 17673 247 1 . 1 1 48 48 VAL N N 128 121.810 121.810 120.841 0.969 17673 248 1 . 1 1 48 48 VAL HA H 128 5.002 5.002 5.013 -0.011 17673 249 1 . 1 1 48 48 VAL C C 128 174.840 174.840 174.098 0.742 17673 250 1 . 1 1 48 48 VAL CA C 128 59.050 59.050 59.654 -0.604 17673 251 1 . 1 1 48 48 VAL CB C 128 35.840 35.840 35.284 0.556 17673 252 1 . 1 1 48 48 VAL H H 128 9.513 9.513 9.237 0.276 17673 253 1 . 1 1 49 49 LYS N N 129 121.050 121.050 119.034 2.016 17673 254 1 . 1 1 49 49 LYS HA H 129 4.436 4.436 4.936 -0.500 17673 255 1 . 1 1 49 49 LYS C C 129 178.110 178.110 178.274 -0.164 17673 256 1 . 1 1 49 49 LYS CA C 129 57.110 57.110 55.023 2.087 17673 257 1 . 1 1 49 49 LYS CB C 129 34.170 34.170 34.057 0.113 17673 258 1 . 1 1 49 49 LYS H H 129 9.021 9.021 8.762 0.259 17673 259 1 . 1 1 50 50 HIS N N 130 119.600 119.600 120.875 -1.275 17673 260 1 . 1 1 50 50 HIS HA H 130 4.476 4.476 4.406 0.070 17673 261 1 . 1 1 50 50 HIS C C 130 176.820 176.820 177.590 -0.770 17673 262 1 . 1 1 50 50 HIS CA C 130 60.350 60.350 59.534 0.816 17673 263 1 . 1 1 50 50 HIS CB C 130 30.460 30.460 30.213 0.247 17673 264 1 . 1 1 50 50 HIS H H 130 8.679 8.679 8.684 -0.005 17673 265 1 . 1 1 51 51 ILE N N 131 109.320 109.320 113.164 -3.844 17673 266 1 . 1 1 51 51 ILE HA H 131 4.260 4.260 3.662 0.598 17673 267 1 . 1 1 51 51 ILE C C 131 176.350 176.350 175.707 0.643 17673 268 1 . 1 1 51 51 ILE CA C 131 62.710 62.710 62.677 0.033 17673 269 1 . 1 1 51 51 ILE CB C 131 38.060 38.060 36.841 1.219 17673 270 1 . 1 1 51 51 ILE H H 131 6.790 6.790 8.195 -1.405 17673 271 1 . 1 1 52 52 HIS N N 132 121.710 121.710 115.674 6.036 17673 272 1 . 1 1 52 52 HIS HA H 132 4.972 4.972 4.861 0.112 17673 273 1 . 1 1 52 52 HIS C C 132 172.680 172.680 174.089 -1.409 17673 274 1 . 1 1 52 52 HIS CA C 132 55.110 55.110 55.917 -0.807 17673 275 1 . 1 1 52 52 HIS CB C 132 31.830 31.830 31.629 0.201 17673 276 1 . 1 1 52 52 HIS H H 132 8.064 8.064 7.654 0.410 17673 277 1 . 1 1 53 53 VAL N N 133 118.360 118.360 117.497 0.863 17673 278 1 . 1 1 53 53 VAL HA H 133 5.004 5.004 5.033 -0.029 17673 279 1 . 1 1 53 53 VAL C C 133 173.990 173.990 173.962 0.028 17673 280 1 . 1 1 53 53 VAL CA C 133 61.300 61.300 60.595 0.705 17673 281 1 . 1 1 53 53 VAL CB C 133 34.050 34.050 34.894 -0.844 17673 282 1 . 1 1 53 53 VAL H H 133 7.614 7.614 7.493 0.121 17673 283 1 . 1 1 54 54 LYS N N 134 123.720 123.720 120.929 2.791 17673 284 1 . 1 1 54 54 LYS HA H 134 4.820 4.820 4.723 0.097 17673 285 1 . 1 1 54 54 LYS C C 134 173.820 173.820 174.422 -0.602 17673 286 1 . 1 1 54 54 LYS CA C 134 54.220 54.220 53.599 0.621 17673 287 1 . 1 1 54 54 LYS CB C 134 36.630 36.630 35.678 0.952 17673 288 1 . 1 1 54 54 LYS H H 134 9.207 9.207 8.755 0.452 17673 289 1 . 1 1 55 55 ALA N N 135 121.610 121.610 121.206 0.404 17673 290 1 . 1 1 55 55 ALA HA H 135 4.436 4.436 3.885 0.551 17673 291 1 . 1 1 55 55 ALA C C 135 177.670 177.670 177.072 0.598 17673 292 1 . 1 1 55 55 ALA CA C 135 52.200 52.200 52.453 -0.253 17673 293 1 . 1 1 55 55 ALA CB C 135 19.110 19.110 18.860 0.250 17673 294 1 . 1 1 55 55 ALA H H 135 8.560 8.560 8.329 0.231 17673 295 1 . 1 1 56 56 PHE N N 136 120.080 120.080 119.135 0.945 17673 296 1 . 1 1 56 56 PHE HA H 136 4.263 4.263 4.098 0.165 17673 297 1 . 1 1 56 56 PHE C C 136 175.380 175.380 175.610 -0.230 17673 298 1 . 1 1 56 56 PHE CA C 136 58.860 58.860 58.957 -0.097 17673 299 1 . 1 1 56 56 PHE CB C 136 40.150 40.150 39.147 1.003 17673 300 1 . 1 1 56 56 PHE H H 136 8.680 8.680 7.808 0.872 17673 301 1 . 1 1 57 57 SER N N 137 117.820 117.820 113.961 3.859 17673 302 1 . 1 1 57 57 SER HA H 137 4.367 4.367 4.271 0.096 17673 303 1 . 1 1 57 57 SER CA C 137 57.350 57.350 58.780 -1.430 17673 304 1 . 1 1 57 57 SER CB C 137 64.220 64.220 63.463 0.757 17673 305 1 . 1 1 57 57 SER H H 137 7.298 7.298 7.407 -0.109 17673 306 1 . 1 1 58 58 LYS HA H 138 4.178 4.178 3.735 0.443 17673 307 1 . 1 1 58 58 LYS C C 138 176.260 176.260 177.664 -1.404 17673 308 1 . 1 1 58 58 LYS CA C 138 56.740 56.740 59.108 -2.368 17673 309 1 . 1 1 58 58 LYS CB C 138 32.800 32.800 32.498 0.302 17673 310 1 . 1 1 59 59 ASP N N 139 120.500 120.500 118.036 2.464 17673 311 1 . 1 1 59 59 ASP HA H 139 4.525 4.525 4.391 0.134 17673 312 1 . 1 1 59 59 ASP CA C 139 54.640 54.640 55.891 -1.251 17673 313 1 . 1 1 59 59 ASP CB C 139 40.980 40.980 41.317 -0.337 17673 314 1 . 1 1 59 59 ASP H H 139 8.245 8.245 8.421 -0.176 17673 315 1 . 1 1 60 60 GLN N N 140 120.290 120.290 115.223 5.067 17673 316 1 . 1 1 60 60 GLN HA H 140 4.247 4.247 4.483 -0.236 17673 317 1 . 1 1 60 60 GLN CA C 140 56.060 56.060 54.762 1.298 17673 318 1 . 1 1 60 60 GLN CB C 140 29.390 29.390 32.287 -2.897 17673 319 1 . 1 1 60 60 GLN H H 140 8.212 8.212 8.075 0.137 17673 320 1 . 1 1 61 61 ASN N N 141 121.710 121.710 118.249 3.461 17673 321 1 . 1 1 61 61 ASN HA H 141 4.721 4.721 4.735 -0.014 17673 322 1 . 1 1 61 61 ASN CA C 141 53.079 53.079 53.625 -0.546 17673 323 1 . 1 1 61 61 ASN CB C 141 38.910 38.910 39.608 -0.698 17673 324 1 . 1 1 61 61 ASN H H 141 8.064 8.064 8.666 -0.602 17673 325 1 . 1 1 62 62 ILE N N 142 120.890 120.890 119.354 1.536 17673 326 1 . 1 1 62 62 ILE HA H 142 4.172 4.172 4.458 -0.286 17673 327 1 . 1 1 62 62 ILE C C 142 176.330 176.330 175.613 0.717 17673 328 1 . 1 1 62 62 ILE CA C 142 61.350 61.350 61.515 -0.165 17673 329 1 . 1 1 62 62 ILE CB C 142 38.575 38.575 38.735 -0.160 17673 330 1 . 1 1 62 62 ILE H H 142 8.010 8.010 8.851 -0.841 17673 331 1 . 1 1 63 63 VAL N N 143 123.520 123.520 119.489 4.031 17673 332 1 . 1 1 63 63 VAL HA H 143 4.108 4.108 4.277 -0.169 17673 333 1 . 1 1 63 63 VAL C C 143 176.740 176.740 176.943 -0.203 17673 334 1 . 1 1 63 63 VAL CA C 143 62.710 62.710 63.064 -0.354 17673 335 1 . 1 1 63 63 VAL CB C 143 32.570 32.570 33.651 -1.081 17673 336 1 . 1 1 63 63 VAL H H 143 8.157 8.157 8.507 -0.350 17673 337 1 . 1 1 64 64 GLY N N 144 112.060 112.060 109.379 2.681 17673 338 1 . 1 1 64 64 GLY C C 144 173.940 173.940 174.055 -0.115 17673 339 1 . 1 1 64 64 GLY CA C 144 45.480 45.480 46.249 -0.769 17673 340 1 . 1 1 64 64 GLY H H 144 8.408 8.408 8.526 -0.118 17673 341 1 . 1 1 65 65 ASN N N 145 118.830 118.830 117.251 1.579 17673 342 1 . 1 1 65 65 ASN HA H 145 4.716 4.716 4.725 -0.009 17673 343 1 . 1 1 65 65 ASN C C 145 175.220 175.220 173.428 1.792 17673 344 1 . 1 1 65 65 ASN CA C 145 53.160 53.160 52.527 0.633 17673 345 1 . 1 1 65 65 ASN CB C 145 39.000 39.000 40.648 -1.648 17673 346 1 . 1 1 65 65 ASN H H 145 8.305 8.305 7.827 0.478 17673 347 1 . 1 1 66 66 ALA N N 146 124.400 124.400 123.863 0.537 17673 348 1 . 1 1 66 66 ALA HA H 146 4.340 4.340 4.462 -0.122 17673 349 1 . 1 1 66 66 ALA C C 146 177.870 177.870 176.967 0.903 17673 350 1 . 1 1 66 66 ALA CA C 146 53.020 53.020 52.184 0.836 17673 351 1 . 1 1 66 66 ALA CB C 146 19.090 19.090 19.190 -0.100 17673 352 1 . 1 1 66 66 ALA H H 146 8.341 8.341 8.476 -0.135 17673 353 1 . 1 1 284 284 ALA N N 364 124.540 124.540 126.161 -1.621 17673 354 1 . 1 1 284 284 ALA HA H 364 4.264 4.264 4.658 -0.394 17673 355 1 . 1 1 284 284 ALA CA C 364 52.655 52.655 52.074 0.581 17673 356 1 . 1 1 284 284 ALA CB C 364 19.130 19.130 20.852 -1.722 17673 357 1 . 1 1 284 284 ALA H H 364 8.267 8.267 8.573 -0.306 17673 358 1 . 1 1 285 285 HIS HA H 365 4.824 4.824 4.721 0.104 17673 359 1 . 1 1 285 285 HIS H H 365 8.447 8.447 7.997 0.450 17673 360 1 . 1 1 286 286 SER N N 366 117.450 117.450 114.009 3.441 17673 361 1 . 1 1 286 286 SER HA H 366 4.460 4.460 4.539 -0.079 17673 362 1 . 1 1 286 286 SER CA C 366 58.330 58.330 57.197 1.133 17673 363 1 . 1 1 286 286 SER CB C 366 64.030 64.030 65.277 -1.247 17673 364 1 . 1 1 286 286 SER H H 366 8.287 8.287 7.875 0.412 17673 365 1 . 1 1 287 287 SER N N 367 117.450 117.450 115.537 1.913 17673 366 1 . 1 1 287 287 SER HA H 367 4.460 4.460 4.586 -0.126 17673 367 1 . 1 1 287 287 SER CA C 367 58.330 58.330 58.527 -0.196 17673 368 1 . 1 1 287 287 SER CB C 367 64.030 64.030 63.848 0.182 17673 369 1 . 1 1 287 287 SER H H 367 8.287 8.287 8.184 0.103 17673 370 1 . 1 1 292 292 LYS N N 372 123.390 123.390 122.806 0.584 17673 371 1 . 1 1 292 292 LYS HA H 372 4.348 4.348 4.327 0.021 17673 372 1 . 1 1 292 292 LYS CA C 372 56.640 56.640 56.808 -0.168 17673 373 1 . 1 1 292 292 LYS CB C 372 33.150 33.150 32.723 0.427 17673 374 1 . 1 1 292 292 LYS H H 372 8.416 8.416 8.195 0.221 17673 375 1 . 1 1 293 293 LYS N N 373 123.390 123.390 120.165 3.225 17673 376 1 . 1 1 293 293 LYS HA H 373 4.348 4.348 4.168 0.180 17673 377 1 . 1 1 293 293 LYS CA C 373 56.286 56.286 56.248 0.038 17673 378 1 . 1 1 293 293 LYS CB C 373 33.150 33.150 32.822 0.328 17673 379 1 . 1 1 293 293 LYS H H 373 8.416 8.416 7.939 0.477 17673 stop_ save_