data_17810 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17810 _Entry.PDB_ID 2LGI 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 17810 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 125.240 125.240 121.626 3.614 17810 2 1 1 . 1 1 2 2 GLN C C 2 175.080 175.080 174.639 0.441 17810 3 1 1 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.624 1.256 17810 4 1 1 . 1 1 2 2 GLN CB C 2 30.450 30.450 30.760 -0.310 17810 5 1 1 . 1 1 3 3 TYR N N 3 123.340 123.340 123.086 0.254 17810 6 1 1 . 1 1 3 3 TYR C C 3 174.980 174.980 175.470 -0.490 17810 7 1 1 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.336 0.674 17810 8 1 1 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.433 1.237 17810 9 1 1 . 1 1 4 4 LYS N N 4 122.670 122.670 120.832 1.838 17810 10 1 1 . 1 1 4 4 LYS C C 4 173.310 173.310 174.023 -0.713 17810 11 1 1 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.713 0.167 17810 12 1 1 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.277 -1.027 17810 13 1 1 . 1 1 5 5 LEU N N 5 126.980 126.980 126.054 0.926 17810 14 1 1 . 1 1 5 5 LEU C C 5 174.800 174.800 174.538 0.262 17810 15 1 1 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.612 0.358 17810 16 1 1 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.367 -2.827 17810 17 1 1 . 1 1 6 6 ILE N N 6 126.260 126.260 125.196 1.064 17810 18 1 1 . 1 1 6 6 ILE C C 6 175.310 175.310 174.354 0.956 17810 19 1 1 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.523 1.448 17810 20 1 1 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.471 -0.621 17810 21 1 1 . 1 1 7 7 LEU N N 7 127.080 127.080 128.107 -1.027 17810 22 1 1 . 1 1 7 7 LEU C C 7 175.120 175.120 176.011 -0.891 17810 23 1 1 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.205 0.455 17810 24 1 1 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.349 -0.449 17810 25 1 1 . 1 1 8 8 ASN N N 8 125.110 125.110 122.293 2.817 17810 26 1 1 . 1 1 8 8 ASN C C 8 176.430 176.430 174.708 1.722 17810 27 1 1 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.939 -1.219 17810 28 1 1 . 1 1 8 8 ASN CB C 8 38.370 38.370 38.266 0.104 17810 29 1 1 . 1 1 9 9 GLY N N 9 109.620 109.620 108.302 1.318 17810 30 1 1 . 1 1 9 9 GLY C C 9 173.220 173.220 174.630 -1.410 17810 31 1 1 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.670 0.910 17810 32 1 1 . 1 1 10 10 LYS N N 10 121.070 121.070 123.280 -2.210 17810 33 1 1 . 1 1 10 10 LYS C C 10 179.170 179.170 177.078 2.092 17810 34 1 1 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.910 0.360 17810 35 1 1 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.283 0.567 17810 36 1 1 . 1 1 11 11 THR N N 11 106.400 106.400 110.504 -4.104 17810 37 1 1 . 1 1 11 11 THR C C 11 173.420 173.420 174.325 -0.905 17810 38 1 1 . 1 1 11 11 THR CA C 11 61.910 61.910 62.151 -0.241 17810 39 1 1 . 1 1 11 11 THR CB C 11 69.490 69.490 70.516 -1.026 17810 40 1 1 . 1 1 12 12 LEU N N 12 127.760 127.760 123.091 4.669 17810 41 1 1 . 1 1 12 12 LEU C C 12 173.850 173.850 174.219 -0.369 17810 42 1 1 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.624 -0.194 17810 43 1 1 . 1 1 12 12 LEU CB C 12 43.070 43.070 43.849 -0.779 17810 44 1 1 . 1 1 13 13 LYS N N 13 123.250 123.250 124.558 -1.308 17810 45 1 1 . 1 1 13 13 LYS C C 13 175.830 175.830 175.862 -0.032 17810 46 1 1 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.121 -1.781 17810 47 1 1 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.366 2.464 17810 48 1 1 . 1 1 14 14 GLY N N 14 105.610 105.610 111.614 -6.004 17810 49 1 1 . 1 1 14 14 GLY C C 14 171.370 171.370 172.189 -0.819 17810 50 1 1 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.041 -0.152 17810 51 1 1 . 1 1 15 15 GLU N N 15 121.070 121.070 120.483 0.587 17810 52 1 1 . 1 1 15 15 GLU C C 15 174.110 174.110 175.245 -1.135 17810 53 1 1 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.542 -1.652 17810 54 1 1 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.173 -0.013 17810 55 1 1 . 1 1 16 16 THR N N 16 115.180 115.180 116.597 -1.417 17810 56 1 1 . 1 1 16 16 THR C C 16 172.040 172.040 172.412 -0.372 17810 57 1 1 . 1 1 16 16 THR CA C 16 60.120 60.120 61.257 -1.137 17810 58 1 1 . 1 1 16 16 THR CB C 16 70.510 70.510 70.325 0.185 17810 59 1 1 . 1 1 17 17 THR N N 17 116.050 116.050 116.484 -0.434 17810 60 1 1 . 1 1 17 17 THR C C 17 174.250 174.250 173.596 0.654 17810 61 1 1 . 1 1 17 17 THR CA C 17 60.320 60.320 60.430 -0.110 17810 62 1 1 . 1 1 17 17 THR CB C 17 72.640 72.640 71.288 1.352 17810 63 1 1 . 1 1 18 18 THR N N 18 116.260 116.260 116.765 -0.505 17810 64 1 1 . 1 1 18 18 THR C C 18 171.270 171.270 172.214 -0.944 17810 65 1 1 . 1 1 18 18 THR CA C 18 61.310 61.310 61.500 -0.190 17810 66 1 1 . 1 1 18 18 THR CB C 18 70.840 70.840 70.500 0.340 17810 67 1 1 . 1 1 19 19 GLU N N 19 125.350 125.350 125.511 -0.161 17810 68 1 1 . 1 1 19 19 GLU C C 19 175.900 175.900 175.324 0.576 17810 69 1 1 . 1 1 19 19 GLU CA C 19 54.330 54.330 54.970 -0.640 17810 70 1 1 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.661 -1.101 17810 71 1 1 . 1 1 20 20 ALA N N 20 125.880 125.880 128.495 -2.615 17810 72 1 1 . 1 1 20 20 ALA C C 20 177.790 177.790 176.537 1.253 17810 73 1 1 . 1 1 20 20 ALA CA C 20 50.690 50.690 51.205 -0.515 17810 74 1 1 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.675 1.995 17810 75 1 1 . 1 1 21 21 VAL N N 21 116.280 116.280 118.757 -2.477 17810 76 1 1 . 1 1 21 21 VAL C C 21 175.100 175.100 174.796 0.304 17810 77 1 1 . 1 1 21 21 VAL CA C 21 63.470 63.470 65.138 -1.668 17810 78 1 1 . 1 1 21 21 VAL CB C 21 31.960 31.960 31.498 0.462 17810 79 1 1 . 1 1 22 22 ASP N N 22 115.520 115.520 113.976 1.544 17810 80 1 1 . 1 1 22 22 ASP C C 22 175.080 175.080 175.890 -0.810 17810 81 1 1 . 1 1 22 22 ASP CA C 22 52.530 52.530 53.247 -0.717 17810 82 1 1 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.812 0.488 17810 83 1 1 . 1 1 23 23 ALA N N 23 122.820 122.820 121.812 1.008 17810 84 1 1 . 1 1 23 23 ALA C C 23 179.730 179.730 178.688 1.042 17810 85 1 1 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.894 -0.344 17810 86 1 1 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.365 -0.165 17810 87 1 1 . 1 1 24 24 ALA N N 24 120.750 120.750 121.137 -0.387 17810 88 1 1 . 1 1 24 24 ALA C C 24 181.530 181.530 179.352 2.178 17810 89 1 1 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.596 -0.056 17810 90 1 1 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.020 0.180 17810 91 1 1 . 1 1 25 25 THR N N 25 117.370 117.370 114.859 2.511 17810 92 1 1 . 1 1 25 25 THR C C 25 175.920 175.920 175.908 0.012 17810 93 1 1 . 1 1 25 25 THR CA C 25 67.230 67.230 65.771 1.459 17810 94 1 1 . 1 1 25 25 THR CB C 25 67.820 67.820 68.980 -1.160 17810 95 1 1 . 1 1 26 26 ALA N N 26 123.990 123.990 124.255 -0.265 17810 96 1 1 . 1 1 26 26 ALA C C 26 177.280 177.280 178.423 -1.143 17810 97 1 1 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.690 0.330 17810 98 1 1 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.357 0.193 17810 99 1 1 . 1 1 27 27 GLU N N 27 116.350 116.350 117.028 -0.678 17810 100 1 1 . 1 1 27 27 GLU C C 27 177.820 177.820 178.324 -0.504 17810 101 1 1 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.059 0.031 17810 102 1 1 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.829 0.231 17810 103 1 1 . 1 1 28 28 LYS N N 28 117.380 117.380 119.287 -1.907 17810 104 1 1 . 1 1 28 28 LYS C C 28 179.240 179.240 179.070 0.170 17810 105 1 1 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.754 1.436 17810 106 1 1 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.139 0.651 17810 107 1 1 . 1 1 29 29 VAL N N 29 119.340 119.340 120.147 -0.807 17810 108 1 1 . 1 1 29 29 VAL C C 29 178.980 178.980 178.012 0.968 17810 109 1 1 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.357 -0.047 17810 110 1 1 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.051 0.869 17810 111 1 1 . 1 1 30 30 PHE N N 30 118.680 118.680 119.126 -0.446 17810 112 1 1 . 1 1 30 30 PHE C C 30 179.090 179.090 177.860 1.230 17810 113 1 1 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.839 -4.299 17810 114 1 1 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.886 -0.396 17810 115 1 1 . 1 1 31 31 LYS N N 31 120.760 120.760 119.508 1.252 17810 116 1 1 . 1 1 31 31 LYS C C 31 179.570 179.570 178.638 0.932 17810 117 1 1 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.764 0.346 17810 118 1 1 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.623 -0.013 17810 119 1 1 . 1 1 32 32 GLN N N 32 121.290 121.290 119.938 1.352 17810 120 1 1 . 1 1 32 32 GLN C C 32 177.580 177.580 177.945 -0.365 17810 121 1 1 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.197 -0.277 17810 122 1 1 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.598 0.372 17810 123 1 1 . 1 1 33 33 TYR N N 33 120.990 120.990 121.832 -0.842 17810 124 1 1 . 1 1 33 33 TYR C C 33 178.820 178.820 177.660 1.160 17810 125 1 1 . 1 1 33 33 TYR CA C 33 61.590 61.590 60.920 0.670 17810 126 1 1 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.260 -1.280 17810 127 1 1 . 1 1 34 34 ALA N N 34 122.680 122.680 120.509 2.171 17810 128 1 1 . 1 1 34 34 ALA C C 34 179.620 179.620 179.577 0.043 17810 129 1 1 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.441 0.629 17810 130 1 1 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.578 -0.478 17810 131 1 1 . 1 1 35 35 ASN N N 35 118.200 118.200 118.097 0.103 17810 132 1 1 . 1 1 35 35 ASN C C 35 179.560 179.560 177.822 1.738 17810 133 1 1 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.166 0.874 17810 134 1 1 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.868 0.382 17810 135 1 1 . 1 1 36 36 ASP N N 36 121.080 121.080 120.838 0.242 17810 136 1 1 . 1 1 36 36 ASP C C 36 176.180 176.180 177.495 -1.315 17810 137 1 1 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.395 -0.485 17810 138 1 1 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.184 -1.874 17810 139 1 1 . 1 1 37 37 ASN N N 37 115.040 115.040 116.377 -1.337 17810 140 1 1 . 1 1 37 37 ASN C C 37 174.280 174.280 175.223 -0.943 17810 141 1 1 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.212 1.298 17810 142 1 1 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.059 2.291 17810 143 1 1 . 1 1 38 38 GLY N N 38 108.350 108.350 107.945 0.405 17810 144 1 1 . 1 1 38 38 GLY C C 38 174.030 174.030 174.447 -0.417 17810 145 1 1 . 1 1 38 38 GLY CA C 38 46.800 46.800 46.058 0.742 17810 146 1 1 . 1 1 39 39 VAL N N 39 121.790 121.790 120.068 1.722 17810 147 1 1 . 1 1 39 39 VAL C C 39 175.200 175.200 174.562 0.638 17810 148 1 1 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.123 -0.403 17810 149 1 1 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.692 -0.752 17810 150 1 1 . 1 1 40 40 ASP N N 40 131.050 131.050 127.392 3.658 17810 151 1 1 . 1 1 40 40 ASP C C 40 174.890 174.890 174.670 0.220 17810 152 1 1 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.089 -0.319 17810 153 1 1 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.019 -1.309 17810 154 1 1 . 1 1 41 41 GLY N N 41 108.100 108.100 110.229 -2.129 17810 155 1 1 . 1 1 41 41 GLY C C 41 172.810 172.810 173.003 -0.193 17810 156 1 1 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.975 0.125 17810 157 1 1 . 1 1 42 42 GLU N N 42 119.020 119.020 120.905 -1.885 17810 158 1 1 . 1 1 42 42 GLU C C 42 177.940 177.940 175.749 2.191 17810 159 1 1 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.449 -0.349 17810 160 1 1 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.029 -0.549 17810 161 1 1 . 1 1 43 43 TRP N N 43 124.950 124.950 123.168 1.782 17810 162 1 1 . 1 1 43 43 TRP C C 43 177.420 177.420 177.056 0.364 17810 163 1 1 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.359 1.101 17810 164 1 1 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.175 1.635 17810 165 1 1 . 1 1 44 44 THR N N 44 109.210 109.210 116.324 -7.114 17810 166 1 1 . 1 1 44 44 THR C C 44 174.030 174.030 172.161 1.869 17810 167 1 1 . 1 1 44 44 THR CA C 44 60.940 60.940 60.806 0.134 17810 168 1 1 . 1 1 44 44 THR CB C 44 73.090 73.090 70.351 2.739 17810 169 1 1 . 1 1 45 45 TYR N N 45 118.610 118.610 124.130 -5.520 17810 170 1 1 . 1 1 45 45 TYR C C 45 171.910 171.910 173.323 -1.413 17810 171 1 1 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.785 1.055 17810 172 1 1 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.880 0.740 17810 173 1 1 . 1 1 46 46 ASP N N 46 126.340 126.340 125.963 0.377 17810 174 1 1 . 1 1 46 46 ASP C C 46 176.300 176.300 175.155 1.145 17810 175 1 1 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.237 -0.347 17810 176 1 1 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.092 -0.492 17810 177 1 1 . 1 1 47 47 ASP N N 47 123.390 123.390 126.315 -2.925 17810 178 1 1 . 1 1 47 47 ASP C C 47 177.510 177.510 176.754 0.756 17810 179 1 1 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.081 -0.442 17810 180 1 1 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.373 2.627 17810 181 1 1 . 1 1 48 48 ALA N N 48 118.980 118.980 121.754 -2.774 17810 182 1 1 . 1 1 48 48 ALA C C 48 179.700 179.700 178.260 1.440 17810 183 1 1 . 1 1 48 48 ALA CA C 48 53.990 53.990 53.695 0.295 17810 184 1 1 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.497 -0.497 17810 185 1 1 . 1 1 49 49 THR N N 49 104.230 104.230 108.937 -4.707 17810 186 1 1 . 1 1 49 49 THR C C 49 175.840 175.840 175.109 0.731 17810 187 1 1 . 1 1 49 49 THR CA C 49 60.270 60.270 61.631 -1.361 17810 188 1 1 . 1 1 49 49 THR CB C 49 69.900 69.900 70.711 -0.811 17810 189 1 1 . 1 1 50 50 LYS N N 50 119.710 119.710 117.719 1.991 17810 190 1 1 . 1 1 50 50 LYS C C 50 175.470 175.470 174.863 0.607 17810 191 1 1 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.090 -1.500 17810 192 1 1 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.119 -1.089 17810 193 1 1 . 1 1 51 51 THR N N 51 112.000 112.000 114.766 -2.766 17810 194 1 1 . 1 1 51 51 THR C C 51 174.440 174.440 173.491 0.949 17810 195 1 1 . 1 1 51 51 THR CA C 51 62.470 62.470 62.164 0.306 17810 196 1 1 . 1 1 51 51 THR CB C 51 71.710 71.710 71.191 0.519 17810 197 1 1 . 1 1 52 52 PHE N N 52 130.280 130.280 126.394 3.886 17810 198 1 1 . 1 1 52 52 PHE C C 52 175.810 175.810 175.307 0.503 17810 199 1 1 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.713 -0.133 17810 200 1 1 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.933 0.127 17810 201 1 1 . 1 1 53 53 THR N N 53 112.210 112.210 113.569 -1.359 17810 202 1 1 . 1 1 53 53 THR C C 53 172.250 172.250 172.498 -0.248 17810 203 1 1 . 1 1 53 53 THR CA C 53 60.390 60.390 60.564 -0.174 17810 204 1 1 . 1 1 53 53 THR CB C 53 71.890 71.890 72.045 -0.155 17810 205 1 1 . 1 1 54 54 VAL N N 54 118.430 118.430 122.980 -4.550 17810 206 1 1 . 1 1 54 54 VAL C C 54 172.620 172.620 173.338 -0.718 17810 207 1 1 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.986 -0.506 17810 208 1 1 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.791 -2.071 17810 209 1 1 . 1 1 55 55 THR N N 55 124.100 124.100 124.633 -0.533 17810 210 1 1 . 1 1 55 55 THR C C 55 174.170 174.170 173.608 0.562 17810 211 1 1 . 1 1 55 55 THR CA C 55 61.320 61.320 61.375 -0.055 17810 212 1 1 . 1 1 55 55 THR CB C 55 72.090 72.090 70.831 1.259 17810 213 1 2 . 1 1 2 2 GLN N N 2 125.240 125.240 123.300 1.940 17810 214 1 2 . 1 1 2 2 GLN C C 2 175.080 175.080 174.114 0.966 17810 215 1 2 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.612 1.268 17810 216 1 2 . 1 1 2 2 GLN CB C 2 30.450 30.450 31.293 -0.843 17810 217 1 2 . 1 1 3 3 TYR N N 3 123.340 123.340 124.778 -1.438 17810 218 1 2 . 1 1 3 3 TYR C C 3 174.980 174.980 174.782 0.198 17810 219 1 2 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.409 0.601 17810 220 1 2 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.985 0.685 17810 221 1 2 . 1 1 4 4 LYS N N 4 122.670 122.670 120.492 2.178 17810 222 1 2 . 1 1 4 4 LYS C C 4 173.310 173.310 174.042 -0.732 17810 223 1 2 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.850 0.030 17810 224 1 2 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.379 -1.129 17810 225 1 2 . 1 1 5 5 LEU N N 5 126.980 126.980 125.460 1.520 17810 226 1 2 . 1 1 5 5 LEU C C 5 174.800 174.800 174.592 0.208 17810 227 1 2 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.751 0.220 17810 228 1 2 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.347 -2.807 17810 229 1 2 . 1 1 6 6 ILE N N 6 126.260 126.260 125.320 0.940 17810 230 1 2 . 1 1 6 6 ILE C C 6 175.310 175.310 174.404 0.906 17810 231 1 2 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.622 1.348 17810 232 1 2 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.343 -0.493 17810 233 1 2 . 1 1 7 7 LEU N N 7 127.080 127.080 127.734 -0.654 17810 234 1 2 . 1 1 7 7 LEU C C 7 175.120 175.120 175.720 -0.600 17810 235 1 2 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.105 0.555 17810 236 1 2 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.472 -0.572 17810 237 1 2 . 1 1 8 8 ASN N N 8 125.110 125.110 122.872 2.238 17810 238 1 2 . 1 1 8 8 ASN C C 8 176.430 176.430 174.657 1.773 17810 239 1 2 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.747 -1.027 17810 240 1 2 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.417 -1.048 17810 241 1 2 . 1 1 9 9 GLY N N 9 109.620 109.620 108.108 1.512 17810 242 1 2 . 1 1 9 9 GLY C C 9 173.220 173.220 174.572 -1.352 17810 243 1 2 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.718 0.862 17810 244 1 2 . 1 1 10 10 LYS N N 10 121.070 121.070 122.094 -1.024 17810 245 1 2 . 1 1 10 10 LYS C C 10 179.170 179.170 177.517 1.653 17810 246 1 2 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.706 0.564 17810 247 1 2 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.467 0.383 17810 248 1 2 . 1 1 11 11 THR N N 11 106.400 106.400 110.492 -4.092 17810 249 1 2 . 1 1 11 11 THR C C 11 173.420 173.420 174.572 -1.152 17810 250 1 2 . 1 1 11 11 THR CA C 11 61.910 61.910 62.583 -0.673 17810 251 1 2 . 1 1 11 11 THR CB C 11 69.490 69.490 70.868 -1.379 17810 252 1 2 . 1 1 12 12 LEU N N 12 127.760 127.760 122.858 4.902 17810 253 1 2 . 1 1 12 12 LEU C C 12 173.850 173.850 174.025 -0.175 17810 254 1 2 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.853 -0.423 17810 255 1 2 . 1 1 12 12 LEU CB C 12 43.070 43.070 43.958 -0.888 17810 256 1 2 . 1 1 13 13 LYS N N 13 123.250 123.250 124.762 -1.512 17810 257 1 2 . 1 1 13 13 LYS C C 13 175.830 175.830 175.951 -0.121 17810 258 1 2 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.237 -1.897 17810 259 1 2 . 1 1 13 13 LYS CB C 13 38.830 38.830 35.712 3.118 17810 260 1 2 . 1 1 14 14 GLY N N 14 105.610 105.610 112.739 -7.129 17810 261 1 2 . 1 1 14 14 GLY C C 14 171.370 171.370 172.043 -0.673 17810 262 1 2 . 1 1 14 14 GLY CA C 14 44.890 44.890 44.875 0.015 17810 263 1 2 . 1 1 15 15 GLU N N 15 121.070 121.070 120.902 0.168 17810 264 1 2 . 1 1 15 15 GLU C C 15 174.110 174.110 175.047 -0.937 17810 265 1 2 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.208 -1.318 17810 266 1 2 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.473 -0.313 17810 267 1 2 . 1 1 16 16 THR N N 16 115.180 115.180 115.562 -0.382 17810 268 1 2 . 1 1 16 16 THR C C 16 172.040 172.040 172.339 -0.299 17810 269 1 2 . 1 1 16 16 THR CA C 16 60.120 60.120 62.009 -1.889 17810 270 1 2 . 1 1 16 16 THR CB C 16 70.510 70.510 71.921 -1.411 17810 271 1 2 . 1 1 17 17 THR N N 17 116.050 116.050 119.688 -3.638 17810 272 1 2 . 1 1 17 17 THR C C 17 174.250 174.250 173.350 0.900 17810 273 1 2 . 1 1 17 17 THR CA C 17 60.320 60.320 60.370 -0.050 17810 274 1 2 . 1 1 17 17 THR CB C 17 72.640 72.640 70.504 2.136 17810 275 1 2 . 1 1 18 18 THR N N 18 116.260 116.260 119.922 -3.662 17810 276 1 2 . 1 1 18 18 THR C C 18 171.270 171.270 172.220 -0.950 17810 277 1 2 . 1 1 18 18 THR CA C 18 61.310 61.310 61.163 0.148 17810 278 1 2 . 1 1 18 18 THR CB C 18 70.840 70.840 70.692 0.148 17810 279 1 2 . 1 1 19 19 GLU N N 19 125.350 125.350 125.552 -0.202 17810 280 1 2 . 1 1 19 19 GLU C C 19 175.900 175.900 175.297 0.603 17810 281 1 2 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.077 -0.746 17810 282 1 2 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.526 -0.966 17810 283 1 2 . 1 1 20 20 ALA N N 20 125.880 125.880 128.476 -2.596 17810 284 1 2 . 1 1 20 20 ALA C C 20 177.790 177.790 176.567 1.223 17810 285 1 2 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.845 -0.155 17810 286 1 2 . 1 1 20 20 ALA CB C 20 23.670 23.670 22.069 1.601 17810 287 1 2 . 1 1 21 21 VAL N N 21 116.280 116.280 119.735 -3.455 17810 288 1 2 . 1 1 21 21 VAL C C 21 175.100 175.100 176.049 -0.949 17810 289 1 2 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.685 -1.215 17810 290 1 2 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.280 -0.320 17810 291 1 2 . 1 1 22 22 ASP N N 22 115.520 115.520 116.155 -0.635 17810 292 1 2 . 1 1 22 22 ASP C C 22 175.080 175.080 175.760 -0.680 17810 293 1 2 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.711 -0.181 17810 294 1 2 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.814 0.486 17810 295 1 2 . 1 1 23 23 ALA N N 23 122.820 122.820 121.764 1.056 17810 296 1 2 . 1 1 23 23 ALA C C 23 179.730 179.730 178.732 0.998 17810 297 1 2 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.944 -0.394 17810 298 1 2 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.383 -0.183 17810 299 1 2 . 1 1 24 24 ALA N N 24 120.750 120.750 121.190 -0.440 17810 300 1 2 . 1 1 24 24 ALA C C 24 181.530 181.530 179.281 2.249 17810 301 1 2 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.694 -0.154 17810 302 1 2 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.081 0.119 17810 303 1 2 . 1 1 25 25 THR N N 25 117.370 117.370 111.007 6.363 17810 304 1 2 . 1 1 25 25 THR C C 25 175.920 175.920 176.176 -0.256 17810 305 1 2 . 1 1 25 25 THR CA C 25 67.230 67.230 64.394 2.836 17810 306 1 2 . 1 1 25 25 THR CB C 25 67.820 67.820 69.189 -1.369 17810 307 1 2 . 1 1 26 26 ALA N N 26 123.990 123.990 124.633 -0.643 17810 308 1 2 . 1 1 26 26 ALA C C 26 177.280 177.280 178.641 -1.361 17810 309 1 2 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.692 0.328 17810 310 1 2 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.502 0.048 17810 311 1 2 . 1 1 27 27 GLU N N 27 116.350 116.350 117.052 -0.702 17810 312 1 2 . 1 1 27 27 GLU C C 27 177.820 177.820 178.333 -0.513 17810 313 1 2 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.112 -0.022 17810 314 1 2 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.849 0.211 17810 315 1 2 . 1 1 28 28 LYS N N 28 117.380 117.380 119.178 -1.798 17810 316 1 2 . 1 1 28 28 LYS C C 28 179.240 179.240 179.091 0.149 17810 317 1 2 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.664 1.526 17810 318 1 2 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.163 0.627 17810 319 1 2 . 1 1 29 29 VAL N N 29 119.340 119.340 120.456 -1.116 17810 320 1 2 . 1 1 29 29 VAL C C 29 178.980 178.980 177.882 1.098 17810 321 1 2 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.429 -0.119 17810 322 1 2 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.450 0.470 17810 323 1 2 . 1 1 30 30 PHE N N 30 118.680 118.680 118.939 -0.259 17810 324 1 2 . 1 1 30 30 PHE C C 30 179.090 179.090 177.725 1.365 17810 325 1 2 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.662 -4.122 17810 326 1 2 . 1 1 30 30 PHE CB C 30 37.490 37.490 38.026 -0.536 17810 327 1 2 . 1 1 31 31 LYS N N 31 120.760 120.760 119.166 1.594 17810 328 1 2 . 1 1 31 31 LYS C C 31 179.570 179.570 178.639 0.931 17810 329 1 2 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.584 0.526 17810 330 1 2 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.589 0.021 17810 331 1 2 . 1 1 32 32 GLN N N 32 121.290 121.290 119.975 1.315 17810 332 1 2 . 1 1 32 32 GLN C C 32 177.580 177.580 178.012 -0.432 17810 333 1 2 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.142 -0.223 17810 334 1 2 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.663 0.307 17810 335 1 2 . 1 1 33 33 TYR N N 33 120.990 120.990 121.285 -0.295 17810 336 1 2 . 1 1 33 33 TYR C C 33 178.820 178.820 177.108 1.712 17810 337 1 2 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.332 0.258 17810 338 1 2 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.292 -1.312 17810 339 1 2 . 1 1 34 34 ALA N N 34 122.680 122.680 119.823 2.857 17810 340 1 2 . 1 1 34 34 ALA C C 34 179.620 179.620 179.349 0.271 17810 341 1 2 . 1 1 34 34 ALA CA C 34 56.070 56.070 54.849 1.221 17810 342 1 2 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.541 -0.441 17810 343 1 2 . 1 1 35 35 ASN N N 35 118.200 118.200 117.146 1.054 17810 344 1 2 . 1 1 35 35 ASN C C 35 179.560 179.560 178.125 1.435 17810 345 1 2 . 1 1 35 35 ASN CA C 35 57.040 57.040 55.977 1.063 17810 346 1 2 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.785 0.465 17810 347 1 2 . 1 1 36 36 ASP N N 36 121.080 121.080 120.939 0.141 17810 348 1 2 . 1 1 36 36 ASP C C 36 176.180 176.180 176.816 -0.636 17810 349 1 2 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.217 -0.307 17810 350 1 2 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.266 -1.956 17810 351 1 2 . 1 1 37 37 ASN N N 37 115.040 115.040 115.437 -0.397 17810 352 1 2 . 1 1 37 37 ASN C C 37 174.280 174.280 175.469 -1.189 17810 353 1 2 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.458 1.052 17810 354 1 2 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.575 1.775 17810 355 1 2 . 1 1 38 38 GLY N N 38 108.350 108.350 107.332 1.018 17810 356 1 2 . 1 1 38 38 GLY C C 38 174.030 174.030 174.150 -0.120 17810 357 1 2 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.647 1.153 17810 358 1 2 . 1 1 39 39 VAL N N 39 121.790 121.790 120.726 1.064 17810 359 1 2 . 1 1 39 39 VAL C C 39 175.200 175.200 174.589 0.611 17810 360 1 2 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.845 -1.125 17810 361 1 2 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.412 -0.472 17810 362 1 2 . 1 1 40 40 ASP N N 40 131.050 131.050 126.407 4.643 17810 363 1 2 . 1 1 40 40 ASP C C 40 174.890 174.890 175.103 -0.213 17810 364 1 2 . 1 1 40 40 ASP CA C 40 52.770 52.770 52.956 -0.186 17810 365 1 2 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.640 -1.930 17810 366 1 2 . 1 1 41 41 GLY N N 41 108.100 108.100 109.853 -1.753 17810 367 1 2 . 1 1 41 41 GLY C C 41 172.810 172.810 173.191 -0.381 17810 368 1 2 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.690 0.410 17810 369 1 2 . 1 1 42 42 GLU N N 42 119.020 119.020 120.878 -1.858 17810 370 1 2 . 1 1 42 42 GLU C C 42 177.940 177.940 175.557 2.383 17810 371 1 2 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.717 -0.617 17810 372 1 2 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.076 -0.596 17810 373 1 2 . 1 1 43 43 TRP N N 43 124.950 124.950 122.687 2.263 17810 374 1 2 . 1 1 43 43 TRP C C 43 177.420 177.420 177.276 0.144 17810 375 1 2 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.309 1.151 17810 376 1 2 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.323 1.487 17810 377 1 2 . 1 1 44 44 THR N N 44 109.210 109.210 117.520 -8.310 17810 378 1 2 . 1 1 44 44 THR C C 44 174.030 174.030 172.457 1.573 17810 379 1 2 . 1 1 44 44 THR CA C 44 60.940 60.940 60.604 0.336 17810 380 1 2 . 1 1 44 44 THR CB C 44 73.090 73.090 71.186 1.904 17810 381 1 2 . 1 1 45 45 TYR N N 45 118.610 118.610 124.666 -6.056 17810 382 1 2 . 1 1 45 45 TYR C C 45 171.910 171.910 173.372 -1.462 17810 383 1 2 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.778 1.062 17810 384 1 2 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.868 0.752 17810 385 1 2 . 1 1 46 46 ASP N N 46 126.340 126.340 126.135 0.205 17810 386 1 2 . 1 1 46 46 ASP C C 46 176.300 176.300 175.185 1.115 17810 387 1 2 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.272 -0.382 17810 388 1 2 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.040 -0.440 17810 389 1 2 . 1 1 47 47 ASP N N 47 123.390 123.390 126.308 -2.918 17810 390 1 2 . 1 1 47 47 ASP C C 47 177.510 177.510 176.756 0.754 17810 391 1 2 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.085 -0.445 17810 392 1 2 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.383 2.617 17810 393 1 2 . 1 1 48 48 ALA N N 48 118.980 118.980 122.731 -3.751 17810 394 1 2 . 1 1 48 48 ALA C C 48 179.700 179.700 178.540 1.160 17810 395 1 2 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.108 -0.117 17810 396 1 2 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.201 -0.201 17810 397 1 2 . 1 1 49 49 THR N N 49 104.230 104.230 108.121 -3.891 17810 398 1 2 . 1 1 49 49 THR C C 49 175.840 175.840 174.526 1.314 17810 399 1 2 . 1 1 49 49 THR CA C 49 60.270 60.270 61.615 -1.345 17810 400 1 2 . 1 1 49 49 THR CB C 49 69.900 69.900 70.691 -0.791 17810 401 1 2 . 1 1 50 50 LYS N N 50 119.710 119.710 117.900 1.810 17810 402 1 2 . 1 1 50 50 LYS C C 50 175.470 175.470 174.812 0.658 17810 403 1 2 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.242 -1.652 17810 404 1 2 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.153 -1.123 17810 405 1 2 . 1 1 51 51 THR N N 51 112.000 112.000 114.198 -2.198 17810 406 1 2 . 1 1 51 51 THR C C 51 174.440 174.440 173.313 1.127 17810 407 1 2 . 1 1 51 51 THR CA C 51 62.470 62.470 62.154 0.316 17810 408 1 2 . 1 1 51 51 THR CB C 51 71.710 71.710 71.244 0.466 17810 409 1 2 . 1 1 52 52 PHE N N 52 130.280 130.280 126.451 3.829 17810 410 1 2 . 1 1 52 52 PHE C C 52 175.810 175.810 175.226 0.584 17810 411 1 2 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.658 -0.078 17810 412 1 2 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.526 0.534 17810 413 1 2 . 1 1 53 53 THR N N 53 112.210 112.210 114.339 -2.129 17810 414 1 2 . 1 1 53 53 THR C C 53 172.250 172.250 172.607 -0.357 17810 415 1 2 . 1 1 53 53 THR CA C 53 60.390 60.390 60.395 -0.005 17810 416 1 2 . 1 1 53 53 THR CB C 53 71.890 71.890 72.209 -0.319 17810 417 1 2 . 1 1 54 54 VAL N N 54 118.430 118.430 123.139 -4.709 17810 418 1 2 . 1 1 54 54 VAL C C 54 172.620 172.620 173.277 -0.657 17810 419 1 2 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.701 -0.221 17810 420 1 2 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.287 -1.567 17810 421 1 2 . 1 1 55 55 THR N N 55 124.100 124.100 124.446 -0.346 17810 422 1 2 . 1 1 55 55 THR C C 55 174.170 174.170 173.909 0.261 17810 423 1 2 . 1 1 55 55 THR CA C 55 61.320 61.320 61.181 0.139 17810 424 1 2 . 1 1 55 55 THR CB C 55 72.090 72.090 71.134 0.956 17810 425 1 3 . 1 1 2 2 GLN N N 2 125.240 125.240 122.287 2.953 17810 426 1 3 . 1 1 2 2 GLN C C 2 175.080 175.080 174.206 0.874 17810 427 1 3 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.723 1.157 17810 428 1 3 . 1 1 2 2 GLN CB C 2 30.450 30.450 30.559 -0.109 17810 429 1 3 . 1 1 3 3 TYR N N 3 123.340 123.340 125.004 -1.664 17810 430 1 3 . 1 1 3 3 TYR C C 3 174.980 174.980 175.336 -0.356 17810 431 1 3 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.461 0.549 17810 432 1 3 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.169 1.501 17810 433 1 3 . 1 1 4 4 LYS N N 4 122.670 122.670 120.925 1.745 17810 434 1 3 . 1 1 4 4 LYS C C 4 173.310 173.310 174.094 -0.784 17810 435 1 3 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.729 0.151 17810 436 1 3 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.307 -1.057 17810 437 1 3 . 1 1 5 5 LEU N N 5 126.980 126.980 126.207 0.773 17810 438 1 3 . 1 1 5 5 LEU C C 5 174.800 174.800 174.627 0.173 17810 439 1 3 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.758 0.212 17810 440 1 3 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.483 -2.943 17810 441 1 3 . 1 1 6 6 ILE N N 6 126.260 126.260 125.337 0.923 17810 442 1 3 . 1 1 6 6 ILE C C 6 175.310 175.310 174.421 0.889 17810 443 1 3 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.580 1.390 17810 444 1 3 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.397 -0.547 17810 445 1 3 . 1 1 7 7 LEU N N 7 127.080 127.080 127.970 -0.890 17810 446 1 3 . 1 1 7 7 LEU C C 7 175.120 175.120 175.700 -0.580 17810 447 1 3 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.172 0.488 17810 448 1 3 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.293 -0.393 17810 449 1 3 . 1 1 8 8 ASN N N 8 125.110 125.110 122.940 2.170 17810 450 1 3 . 1 1 8 8 ASN C C 8 176.430 176.430 174.732 1.698 17810 451 1 3 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.714 -0.994 17810 452 1 3 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.332 -0.962 17810 453 1 3 . 1 1 9 9 GLY N N 9 109.620 109.620 108.438 1.182 17810 454 1 3 . 1 1 9 9 GLY C C 9 173.220 173.220 174.578 -1.358 17810 455 1 3 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.642 0.938 17810 456 1 3 . 1 1 10 10 LYS N N 10 121.070 121.070 121.085 -0.015 17810 457 1 3 . 1 1 10 10 LYS C C 10 179.170 179.170 177.499 1.671 17810 458 1 3 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.887 0.383 17810 459 1 3 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.479 0.371 17810 460 1 3 . 1 1 11 11 THR N N 11 106.400 106.400 110.675 -4.275 17810 461 1 3 . 1 1 11 11 THR C C 11 173.420 173.420 174.440 -1.020 17810 462 1 3 . 1 1 11 11 THR CA C 11 61.910 61.910 62.167 -0.257 17810 463 1 3 . 1 1 11 11 THR CB C 11 69.490 69.490 70.653 -1.163 17810 464 1 3 . 1 1 12 12 LEU N N 12 127.760 127.760 122.674 5.086 17810 465 1 3 . 1 1 12 12 LEU C C 12 173.850 173.850 174.152 -0.302 17810 466 1 3 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.852 -0.422 17810 467 1 3 . 1 1 12 12 LEU CB C 12 43.070 43.070 43.830 -0.760 17810 468 1 3 . 1 1 13 13 LYS N N 13 123.250 123.250 124.457 -1.207 17810 469 1 3 . 1 1 13 13 LYS C C 13 175.830 175.830 175.884 -0.054 17810 470 1 3 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.161 -1.821 17810 471 1 3 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.355 2.475 17810 472 1 3 . 1 1 14 14 GLY N N 14 105.610 105.610 111.364 -5.754 17810 473 1 3 . 1 1 14 14 GLY C C 14 171.370 171.370 172.226 -0.856 17810 474 1 3 . 1 1 14 14 GLY CA C 14 44.890 44.890 44.947 -0.057 17810 475 1 3 . 1 1 15 15 GLU N N 15 121.070 121.070 120.508 0.562 17810 476 1 3 . 1 1 15 15 GLU C C 15 174.110 174.110 175.314 -1.204 17810 477 1 3 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.535 -1.645 17810 478 1 3 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.314 -0.154 17810 479 1 3 . 1 1 16 16 THR N N 16 115.180 115.180 115.910 -0.730 17810 480 1 3 . 1 1 16 16 THR C C 16 172.040 172.040 172.638 -0.598 17810 481 1 3 . 1 1 16 16 THR CA C 16 60.120 60.120 61.694 -1.574 17810 482 1 3 . 1 1 16 16 THR CB C 16 70.510 70.510 71.321 -0.811 17810 483 1 3 . 1 1 17 17 THR N N 17 116.050 116.050 116.633 -0.583 17810 484 1 3 . 1 1 17 17 THR C C 17 174.250 174.250 173.631 0.619 17810 485 1 3 . 1 1 17 17 THR CA C 17 60.320 60.320 60.243 0.077 17810 486 1 3 . 1 1 17 17 THR CB C 17 72.640 72.640 71.781 0.859 17810 487 1 3 . 1 1 18 18 THR N N 18 116.260 116.260 116.908 -0.648 17810 488 1 3 . 1 1 18 18 THR C C 18 171.270 171.270 172.235 -0.965 17810 489 1 3 . 1 1 18 18 THR CA C 18 61.310 61.310 61.060 0.250 17810 490 1 3 . 1 1 18 18 THR CB C 18 70.840 70.840 70.611 0.229 17810 491 1 3 . 1 1 19 19 GLU N N 19 125.350 125.350 125.407 -0.057 17810 492 1 3 . 1 1 19 19 GLU C C 19 175.900 175.900 175.133 0.767 17810 493 1 3 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.319 -0.989 17810 494 1 3 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.694 -1.134 17810 495 1 3 . 1 1 20 20 ALA N N 20 125.880 125.880 128.088 -2.208 17810 496 1 3 . 1 1 20 20 ALA C C 20 177.790 177.790 175.975 1.815 17810 497 1 3 . 1 1 20 20 ALA CA C 20 50.690 50.690 51.021 -0.331 17810 498 1 3 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.358 2.312 17810 499 1 3 . 1 1 21 21 VAL N N 21 116.280 116.280 117.966 -1.686 17810 500 1 3 . 1 1 21 21 VAL C C 21 175.100 175.100 174.910 0.190 17810 501 1 3 . 1 1 21 21 VAL CA C 21 63.470 63.470 65.329 -1.859 17810 502 1 3 . 1 1 21 21 VAL CB C 21 31.960 31.960 31.846 0.114 17810 503 1 3 . 1 1 22 22 ASP N N 22 115.520 115.520 114.033 1.487 17810 504 1 3 . 1 1 22 22 ASP C C 22 175.080 175.080 175.936 -0.856 17810 505 1 3 . 1 1 22 22 ASP CA C 22 52.530 52.530 53.247 -0.717 17810 506 1 3 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.823 0.477 17810 507 1 3 . 1 1 23 23 ALA N N 23 122.820 122.820 121.805 1.015 17810 508 1 3 . 1 1 23 23 ALA C C 23 179.730 179.730 178.729 1.001 17810 509 1 3 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.896 -0.346 17810 510 1 3 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.350 -0.150 17810 511 1 3 . 1 1 24 24 ALA N N 24 120.750 120.750 120.922 -0.172 17810 512 1 3 . 1 1 24 24 ALA C C 24 181.530 181.530 179.315 2.215 17810 513 1 3 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.736 -0.196 17810 514 1 3 . 1 1 24 24 ALA CB C 24 18.200 18.200 17.919 0.281 17810 515 1 3 . 1 1 25 25 THR N N 25 117.370 117.370 114.806 2.564 17810 516 1 3 . 1 1 25 25 THR C C 25 175.920 175.920 175.913 0.007 17810 517 1 3 . 1 1 25 25 THR CA C 25 67.230 67.230 65.378 1.852 17810 518 1 3 . 1 1 25 25 THR CB C 25 67.820 67.820 68.830 -1.010 17810 519 1 3 . 1 1 26 26 ALA N N 26 123.990 123.990 124.345 -0.355 17810 520 1 3 . 1 1 26 26 ALA C C 26 177.280 177.280 178.384 -1.104 17810 521 1 3 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.723 0.297 17810 522 1 3 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.412 0.138 17810 523 1 3 . 1 1 27 27 GLU N N 27 116.350 116.350 117.098 -0.748 17810 524 1 3 . 1 1 27 27 GLU C C 27 177.820 177.820 178.320 -0.500 17810 525 1 3 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.151 -0.061 17810 526 1 3 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.857 0.203 17810 527 1 3 . 1 1 28 28 LYS N N 28 117.380 117.380 119.190 -1.810 17810 528 1 3 . 1 1 28 28 LYS C C 28 179.240 179.240 179.038 0.202 17810 529 1 3 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.751 1.439 17810 530 1 3 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.120 0.670 17810 531 1 3 . 1 1 29 29 VAL N N 29 119.340 119.340 120.113 -0.773 17810 532 1 3 . 1 1 29 29 VAL C C 29 178.980 178.980 177.607 1.373 17810 533 1 3 . 1 1 29 29 VAL CA C 29 66.310 66.310 65.979 0.331 17810 534 1 3 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.004 0.916 17810 535 1 3 . 1 1 30 30 PHE N N 30 118.680 118.680 119.037 -0.357 17810 536 1 3 . 1 1 30 30 PHE C C 30 179.090 179.090 177.738 1.352 17810 537 1 3 . 1 1 30 30 PHE CA C 30 57.540 57.540 62.141 -4.601 17810 538 1 3 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.852 -0.362 17810 539 1 3 . 1 1 31 31 LYS N N 31 120.760 120.760 118.755 2.005 17810 540 1 3 . 1 1 31 31 LYS C C 31 179.570 179.570 178.540 1.030 17810 541 1 3 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.806 0.304 17810 542 1 3 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.563 0.047 17810 543 1 3 . 1 1 32 32 GLN N N 32 121.290 121.290 120.137 1.153 17810 544 1 3 . 1 1 32 32 GLN C C 32 177.580 177.580 177.890 -0.310 17810 545 1 3 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.168 -0.248 17810 546 1 3 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.531 0.439 17810 547 1 3 . 1 1 33 33 TYR N N 33 120.990 120.990 121.254 -0.264 17810 548 1 3 . 1 1 33 33 TYR C C 33 178.820 178.820 176.912 1.908 17810 549 1 3 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.315 0.275 17810 550 1 3 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.367 -1.387 17810 551 1 3 . 1 1 34 34 ALA N N 34 122.680 122.680 119.601 3.079 17810 552 1 3 . 1 1 34 34 ALA C C 34 179.620 179.620 179.426 0.194 17810 553 1 3 . 1 1 34 34 ALA CA C 34 56.070 56.070 54.726 1.344 17810 554 1 3 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.784 -0.684 17810 555 1 3 . 1 1 35 35 ASN N N 35 118.200 118.200 117.326 0.874 17810 556 1 3 . 1 1 35 35 ASN C C 35 179.560 179.560 177.949 1.611 17810 557 1 3 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.155 0.885 17810 558 1 3 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.611 0.639 17810 559 1 3 . 1 1 36 36 ASP N N 36 121.080 121.080 120.922 0.158 17810 560 1 3 . 1 1 36 36 ASP C C 36 176.180 176.180 176.815 -0.635 17810 561 1 3 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.168 -0.258 17810 562 1 3 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.230 -1.920 17810 563 1 3 . 1 1 37 37 ASN N N 37 115.040 115.040 115.440 -0.400 17810 564 1 3 . 1 1 37 37 ASN C C 37 174.280 174.280 175.463 -1.183 17810 565 1 3 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.405 1.105 17810 566 1 3 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.798 1.552 17810 567 1 3 . 1 1 38 38 GLY N N 38 108.350 108.350 107.461 0.889 17810 568 1 3 . 1 1 38 38 GLY C C 38 174.030 174.030 174.133 -0.103 17810 569 1 3 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.561 1.239 17810 570 1 3 . 1 1 39 39 VAL N N 39 121.790 121.790 121.113 0.677 17810 571 1 3 . 1 1 39 39 VAL C C 39 175.200 175.200 174.615 0.585 17810 572 1 3 . 1 1 39 39 VAL CA C 39 61.720 61.720 61.424 0.296 17810 573 1 3 . 1 1 39 39 VAL CB C 39 31.940 31.940 31.741 0.199 17810 574 1 3 . 1 1 40 40 ASP N N 40 131.050 131.050 126.406 4.644 17810 575 1 3 . 1 1 40 40 ASP C C 40 174.890 174.890 175.010 -0.120 17810 576 1 3 . 1 1 40 40 ASP CA C 40 52.770 52.770 52.981 -0.211 17810 577 1 3 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.459 -1.749 17810 578 1 3 . 1 1 41 41 GLY N N 41 108.100 108.100 110.033 -1.933 17810 579 1 3 . 1 1 41 41 GLY C C 41 172.810 172.810 173.176 -0.366 17810 580 1 3 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.700 0.400 17810 581 1 3 . 1 1 42 42 GLU N N 42 119.020 119.020 121.052 -2.032 17810 582 1 3 . 1 1 42 42 GLU C C 42 177.940 177.940 175.515 2.425 17810 583 1 3 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.679 -0.579 17810 584 1 3 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.186 -0.706 17810 585 1 3 . 1 1 43 43 TRP N N 43 124.950 124.950 123.192 1.758 17810 586 1 3 . 1 1 43 43 TRP C C 43 177.420 177.420 177.072 0.348 17810 587 1 3 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.218 1.242 17810 588 1 3 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.159 1.651 17810 589 1 3 . 1 1 44 44 THR N N 44 109.210 109.210 116.186 -6.976 17810 590 1 3 . 1 1 44 44 THR C C 44 174.030 174.030 172.209 1.821 17810 591 1 3 . 1 1 44 44 THR CA C 44 60.940 60.940 60.728 0.211 17810 592 1 3 . 1 1 44 44 THR CB C 44 73.090 73.090 70.345 2.745 17810 593 1 3 . 1 1 45 45 TYR N N 45 118.610 118.610 124.323 -5.713 17810 594 1 3 . 1 1 45 45 TYR C C 45 171.910 171.910 173.382 -1.472 17810 595 1 3 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.779 1.061 17810 596 1 3 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.914 0.706 17810 597 1 3 . 1 1 46 46 ASP N N 46 126.340 126.340 126.223 0.117 17810 598 1 3 . 1 1 46 46 ASP C C 46 176.300 176.300 174.470 1.830 17810 599 1 3 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.713 -0.823 17810 600 1 3 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.136 -0.536 17810 601 1 3 . 1 1 47 47 ASP N N 47 123.390 123.390 127.561 -4.171 17810 602 1 3 . 1 1 47 47 ASP C C 47 177.510 177.510 176.832 0.678 17810 603 1 3 . 1 1 47 47 ASP CA C 47 54.640 54.640 54.853 -0.214 17810 604 1 3 . 1 1 47 47 ASP CB C 47 43.000 43.000 41.167 1.833 17810 605 1 3 . 1 1 48 48 ALA N N 48 118.980 118.980 120.385 -1.405 17810 606 1 3 . 1 1 48 48 ALA C C 48 179.700 179.700 178.377 1.323 17810 607 1 3 . 1 1 48 48 ALA CA C 48 53.990 53.990 53.895 0.095 17810 608 1 3 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.176 -0.176 17810 609 1 3 . 1 1 49 49 THR N N 49 104.230 104.230 106.406 -2.176 17810 610 1 3 . 1 1 49 49 THR C C 49 175.840 175.840 174.583 1.257 17810 611 1 3 . 1 1 49 49 THR CA C 49 60.270 60.270 61.420 -1.151 17810 612 1 3 . 1 1 49 49 THR CB C 49 69.900 69.900 70.215 -0.315 17810 613 1 3 . 1 1 50 50 LYS N N 50 119.710 119.710 118.436 1.274 17810 614 1 3 . 1 1 50 50 LYS C C 50 175.470 175.470 174.780 0.690 17810 615 1 3 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.070 -1.480 17810 616 1 3 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.111 -1.081 17810 617 1 3 . 1 1 51 51 THR N N 51 112.000 112.000 114.658 -2.658 17810 618 1 3 . 1 1 51 51 THR C C 51 174.440 174.440 173.514 0.926 17810 619 1 3 . 1 1 51 51 THR CA C 51 62.470 62.470 62.086 0.384 17810 620 1 3 . 1 1 51 51 THR CB C 51 71.710 71.710 71.093 0.617 17810 621 1 3 . 1 1 52 52 PHE N N 52 130.280 130.280 126.901 3.379 17810 622 1 3 . 1 1 52 52 PHE C C 52 175.810 175.810 175.158 0.652 17810 623 1 3 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.575 0.005 17810 624 1 3 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.789 0.271 17810 625 1 3 . 1 1 53 53 THR N N 53 112.210 112.210 114.279 -2.069 17810 626 1 3 . 1 1 53 53 THR C C 53 172.250 172.250 172.620 -0.370 17810 627 1 3 . 1 1 53 53 THR CA C 53 60.390 60.390 60.421 -0.031 17810 628 1 3 . 1 1 53 53 THR CB C 53 71.890 71.890 72.206 -0.316 17810 629 1 3 . 1 1 54 54 VAL N N 54 118.430 118.430 123.313 -4.883 17810 630 1 3 . 1 1 54 54 VAL C C 54 172.620 172.620 173.312 -0.692 17810 631 1 3 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.840 -0.360 17810 632 1 3 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.280 -1.560 17810 633 1 3 . 1 1 55 55 THR N N 55 124.100 124.100 124.857 -0.757 17810 634 1 3 . 1 1 55 55 THR C C 55 174.170 174.170 173.545 0.625 17810 635 1 3 . 1 1 55 55 THR CA C 55 61.320 61.320 61.078 0.242 17810 636 1 3 . 1 1 55 55 THR CB C 55 72.090 72.090 70.971 1.119 17810 637 1 4 . 1 1 2 2 GLN N N 2 125.240 125.240 123.381 1.859 17810 638 1 4 . 1 1 2 2 GLN C C 2 175.080 175.080 174.086 0.994 17810 639 1 4 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.595 1.285 17810 640 1 4 . 1 1 2 2 GLN CB C 2 30.450 30.450 31.331 -0.881 17810 641 1 4 . 1 1 3 3 TYR N N 3 123.340 123.340 124.793 -1.453 17810 642 1 4 . 1 1 3 3 TYR C C 3 174.980 174.980 174.799 0.181 17810 643 1 4 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.448 0.562 17810 644 1 4 . 1 1 3 3 TYR CB C 3 43.670 43.670 43.015 0.655 17810 645 1 4 . 1 1 4 4 LYS N N 4 122.670 122.670 120.542 2.128 17810 646 1 4 . 1 1 4 4 LYS C C 4 173.310 173.310 174.043 -0.733 17810 647 1 4 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.788 0.092 17810 648 1 4 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.367 -1.117 17810 649 1 4 . 1 1 5 5 LEU N N 5 126.980 126.980 125.371 1.609 17810 650 1 4 . 1 1 5 5 LEU C C 5 174.800 174.800 174.577 0.223 17810 651 1 4 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.723 0.247 17810 652 1 4 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.336 -2.796 17810 653 1 4 . 1 1 6 6 ILE N N 6 126.260 126.260 125.111 1.149 17810 654 1 4 . 1 1 6 6 ILE C C 6 175.310 175.310 174.400 0.910 17810 655 1 4 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.510 1.460 17810 656 1 4 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.386 -0.536 17810 657 1 4 . 1 1 7 7 LEU N N 7 127.080 127.080 127.981 -0.901 17810 658 1 4 . 1 1 7 7 LEU C C 7 175.120 175.120 175.757 -0.637 17810 659 1 4 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.118 0.542 17810 660 1 4 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.552 -0.652 17810 661 1 4 . 1 1 8 8 ASN N N 8 125.110 125.110 122.927 2.183 17810 662 1 4 . 1 1 8 8 ASN C C 8 176.430 176.430 174.737 1.693 17810 663 1 4 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.700 -0.980 17810 664 1 4 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.315 -0.945 17810 665 1 4 . 1 1 9 9 GLY N N 9 109.620 109.620 108.345 1.275 17810 666 1 4 . 1 1 9 9 GLY C C 9 173.220 173.220 173.775 -0.555 17810 667 1 4 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.772 0.808 17810 668 1 4 . 1 1 10 10 LYS N N 10 121.070 121.070 119.653 1.417 17810 669 1 4 . 1 1 10 10 LYS C C 10 179.170 179.170 177.388 1.782 17810 670 1 4 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.451 0.819 17810 671 1 4 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.219 0.631 17810 672 1 4 . 1 1 11 11 THR N N 11 106.400 106.400 109.537 -3.137 17810 673 1 4 . 1 1 11 11 THR C C 11 173.420 173.420 174.424 -1.004 17810 674 1 4 . 1 1 11 11 THR CA C 11 61.910 61.910 62.058 -0.148 17810 675 1 4 . 1 1 11 11 THR CB C 11 69.490 69.490 70.690 -1.200 17810 676 1 4 . 1 1 12 12 LEU N N 12 127.760 127.760 123.376 4.384 17810 677 1 4 . 1 1 12 12 LEU C C 12 173.850 173.850 174.087 -0.237 17810 678 1 4 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.612 -0.182 17810 679 1 4 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.236 -1.166 17810 680 1 4 . 1 1 13 13 LYS N N 13 123.250 123.250 122.376 0.874 17810 681 1 4 . 1 1 13 13 LYS C C 13 175.830 175.830 175.409 0.421 17810 682 1 4 . 1 1 13 13 LYS CA C 13 53.340 53.340 54.852 -1.512 17810 683 1 4 . 1 1 13 13 LYS CB C 13 38.830 38.830 35.548 3.282 17810 684 1 4 . 1 1 14 14 GLY N N 14 105.610 105.610 110.466 -4.856 17810 685 1 4 . 1 1 14 14 GLY C C 14 171.370 171.370 172.176 -0.806 17810 686 1 4 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.130 -0.241 17810 687 1 4 . 1 1 15 15 GLU N N 15 121.070 121.070 120.795 0.275 17810 688 1 4 . 1 1 15 15 GLU C C 15 174.110 174.110 175.258 -1.148 17810 689 1 4 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.239 -1.349 17810 690 1 4 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.170 -0.010 17810 691 1 4 . 1 1 16 16 THR N N 16 115.180 115.180 116.357 -1.177 17810 692 1 4 . 1 1 16 16 THR C C 16 172.040 172.040 172.273 -0.233 17810 693 1 4 . 1 1 16 16 THR CA C 16 60.120 60.120 61.627 -1.507 17810 694 1 4 . 1 1 16 16 THR CB C 16 70.510 70.510 70.785 -0.275 17810 695 1 4 . 1 1 17 17 THR N N 17 116.050 116.050 119.207 -3.157 17810 696 1 4 . 1 1 17 17 THR C C 17 174.250 174.250 173.492 0.758 17810 697 1 4 . 1 1 17 17 THR CA C 17 60.320 60.320 60.957 -0.637 17810 698 1 4 . 1 1 17 17 THR CB C 17 72.640 72.640 70.470 2.170 17810 699 1 4 . 1 1 18 18 THR N N 18 116.260 116.260 121.198 -4.938 17810 700 1 4 . 1 1 18 18 THR C C 18 171.270 171.270 172.081 -0.811 17810 701 1 4 . 1 1 18 18 THR CA C 18 61.310 61.310 61.990 -0.680 17810 702 1 4 . 1 1 18 18 THR CB C 18 70.840 70.840 70.470 0.370 17810 703 1 4 . 1 1 19 19 GLU N N 19 125.350 125.350 125.763 -0.413 17810 704 1 4 . 1 1 19 19 GLU C C 19 175.900 175.900 175.317 0.583 17810 705 1 4 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.053 -0.723 17810 706 1 4 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.677 -1.117 17810 707 1 4 . 1 1 20 20 ALA N N 20 125.880 125.880 128.851 -2.971 17810 708 1 4 . 1 1 20 20 ALA C C 20 177.790 177.790 175.997 1.793 17810 709 1 4 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.937 -0.247 17810 710 1 4 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.480 2.190 17810 711 1 4 . 1 1 21 21 VAL N N 21 116.280 116.280 117.711 -1.431 17810 712 1 4 . 1 1 21 21 VAL C C 21 175.100 175.100 175.699 -0.599 17810 713 1 4 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.433 -0.963 17810 714 1 4 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.510 -0.550 17810 715 1 4 . 1 1 22 22 ASP N N 22 115.520 115.520 115.880 -0.360 17810 716 1 4 . 1 1 22 22 ASP C C 22 175.080 175.080 175.959 -0.879 17810 717 1 4 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.647 -0.117 17810 718 1 4 . 1 1 22 22 ASP CB C 22 42.300 42.300 42.149 0.151 17810 719 1 4 . 1 1 23 23 ALA N N 23 122.820 122.820 121.722 1.098 17810 720 1 4 . 1 1 23 23 ALA C C 23 179.730 179.730 178.710 1.020 17810 721 1 4 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.917 -0.367 17810 722 1 4 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.345 -0.145 17810 723 1 4 . 1 1 24 24 ALA N N 24 120.750 120.750 121.162 -0.412 17810 724 1 4 . 1 1 24 24 ALA C C 24 181.530 181.530 179.284 2.246 17810 725 1 4 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.685 -0.145 17810 726 1 4 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.069 0.131 17810 727 1 4 . 1 1 25 25 THR N N 25 117.370 117.370 111.061 6.309 17810 728 1 4 . 1 1 25 25 THR C C 25 175.920 175.920 176.181 -0.261 17810 729 1 4 . 1 1 25 25 THR CA C 25 67.230 67.230 64.436 2.794 17810 730 1 4 . 1 1 25 25 THR CB C 25 67.820 67.820 69.169 -1.349 17810 731 1 4 . 1 1 26 26 ALA N N 26 123.990 123.990 124.597 -0.607 17810 732 1 4 . 1 1 26 26 ALA C C 26 177.280 177.280 178.646 -1.366 17810 733 1 4 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.658 0.362 17810 734 1 4 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.498 0.051 17810 735 1 4 . 1 1 27 27 GLU N N 27 116.350 116.350 117.062 -0.712 17810 736 1 4 . 1 1 27 27 GLU C C 27 177.820 177.820 178.345 -0.525 17810 737 1 4 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.103 -0.013 17810 738 1 4 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.830 0.230 17810 739 1 4 . 1 1 28 28 LYS N N 28 117.380 117.380 119.312 -1.932 17810 740 1 4 . 1 1 28 28 LYS C C 28 179.240 179.240 179.063 0.177 17810 741 1 4 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.772 1.418 17810 742 1 4 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.146 0.644 17810 743 1 4 . 1 1 29 29 VAL N N 29 119.340 119.340 120.207 -0.867 17810 744 1 4 . 1 1 29 29 VAL C C 29 178.980 178.980 177.988 0.992 17810 745 1 4 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.377 -0.067 17810 746 1 4 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.033 0.887 17810 747 1 4 . 1 1 30 30 PHE N N 30 118.680 118.680 119.079 -0.399 17810 748 1 4 . 1 1 30 30 PHE C C 30 179.090 179.090 177.824 1.266 17810 749 1 4 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.812 -4.271 17810 750 1 4 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.811 -0.321 17810 751 1 4 . 1 1 31 31 LYS N N 31 120.760 120.760 119.331 1.429 17810 752 1 4 . 1 1 31 31 LYS C C 31 179.570 179.570 178.750 0.820 17810 753 1 4 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.696 0.414 17810 754 1 4 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.623 -0.013 17810 755 1 4 . 1 1 32 32 GLN N N 32 121.290 121.290 119.898 1.392 17810 756 1 4 . 1 1 32 32 GLN C C 32 177.580 177.580 177.929 -0.349 17810 757 1 4 . 1 1 32 32 GLN CA C 32 58.920 58.920 58.757 0.163 17810 758 1 4 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.065 0.905 17810 759 1 4 . 1 1 33 33 TYR N N 33 120.990 120.990 121.136 -0.146 17810 760 1 4 . 1 1 33 33 TYR C C 33 178.820 178.820 177.329 1.491 17810 761 1 4 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.553 0.037 17810 762 1 4 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.274 -1.294 17810 763 1 4 . 1 1 34 34 ALA N N 34 122.680 122.680 120.737 1.943 17810 764 1 4 . 1 1 34 34 ALA C C 34 179.620 179.620 179.717 -0.097 17810 765 1 4 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.218 0.852 17810 766 1 4 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.389 -0.289 17810 767 1 4 . 1 1 35 35 ASN N N 35 118.200 118.200 118.138 0.062 17810 768 1 4 . 1 1 35 35 ASN C C 35 179.560 179.560 178.136 1.424 17810 769 1 4 . 1 1 35 35 ASN CA C 35 57.040 57.040 55.677 1.363 17810 770 1 4 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.642 0.607 17810 771 1 4 . 1 1 36 36 ASP N N 36 121.080 121.080 120.400 0.680 17810 772 1 4 . 1 1 36 36 ASP C C 36 176.180 176.180 177.122 -0.942 17810 773 1 4 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.485 -0.575 17810 774 1 4 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.289 -1.980 17810 775 1 4 . 1 1 37 37 ASN N N 37 115.040 115.040 114.687 0.353 17810 776 1 4 . 1 1 37 37 ASN C C 37 174.280 174.280 175.377 -1.097 17810 777 1 4 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.364 1.145 17810 778 1 4 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.281 2.069 17810 779 1 4 . 1 1 38 38 GLY N N 38 108.350 108.350 108.375 -0.025 17810 780 1 4 . 1 1 38 38 GLY C C 38 174.030 174.030 174.517 -0.487 17810 781 1 4 . 1 1 38 38 GLY CA C 38 46.800 46.800 46.080 0.720 17810 782 1 4 . 1 1 39 39 VAL N N 39 121.790 121.790 120.049 1.741 17810 783 1 4 . 1 1 39 39 VAL C C 39 175.200 175.200 174.722 0.478 17810 784 1 4 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.945 -1.225 17810 785 1 4 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.547 -0.607 17810 786 1 4 . 1 1 40 40 ASP N N 40 131.050 131.050 127.714 3.336 17810 787 1 4 . 1 1 40 40 ASP C C 40 174.890 174.890 174.841 0.049 17810 788 1 4 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.045 -0.275 17810 789 1 4 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.191 -1.482 17810 790 1 4 . 1 1 41 41 GLY N N 41 108.100 108.100 109.937 -1.837 17810 791 1 4 . 1 1 41 41 GLY C C 41 172.810 172.810 173.296 -0.486 17810 792 1 4 . 1 1 41 41 GLY CA C 41 45.100 45.100 45.060 0.040 17810 793 1 4 . 1 1 42 42 GLU N N 42 119.020 119.020 120.266 -1.246 17810 794 1 4 . 1 1 42 42 GLU C C 42 177.940 177.940 175.746 2.194 17810 795 1 4 . 1 1 42 42 GLU CA C 42 55.100 55.100 54.993 0.107 17810 796 1 4 . 1 1 42 42 GLU CB C 42 31.480 31.480 31.761 -0.281 17810 797 1 4 . 1 1 43 43 TRP N N 43 124.950 124.950 123.229 1.721 17810 798 1 4 . 1 1 43 43 TRP C C 43 177.420 177.420 177.122 0.298 17810 799 1 4 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.205 1.255 17810 800 1 4 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.272 1.538 17810 801 1 4 . 1 1 44 44 THR N N 44 109.210 109.210 116.654 -7.444 17810 802 1 4 . 1 1 44 44 THR C C 44 174.030 174.030 172.132 1.898 17810 803 1 4 . 1 1 44 44 THR CA C 44 60.940 60.940 60.649 0.291 17810 804 1 4 . 1 1 44 44 THR CB C 44 73.090 73.090 70.572 2.518 17810 805 1 4 . 1 1 45 45 TYR N N 45 118.610 118.610 124.612 -6.002 17810 806 1 4 . 1 1 45 45 TYR C C 45 171.910 171.910 173.480 -1.570 17810 807 1 4 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.602 1.238 17810 808 1 4 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.925 0.695 17810 809 1 4 . 1 1 46 46 ASP N N 46 126.340 126.340 126.112 0.228 17810 810 1 4 . 1 1 46 46 ASP C C 46 176.300 176.300 175.167 1.133 17810 811 1 4 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.272 -0.382 17810 812 1 4 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.035 -0.435 17810 813 1 4 . 1 1 47 47 ASP N N 47 123.390 123.390 125.648 -2.258 17810 814 1 4 . 1 1 47 47 ASP C C 47 177.510 177.510 176.866 0.644 17810 815 1 4 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.080 -0.440 17810 816 1 4 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.429 2.571 17810 817 1 4 . 1 1 48 48 ALA N N 48 118.980 118.980 121.269 -2.289 17810 818 1 4 . 1 1 48 48 ALA C C 48 179.700 179.700 178.400 1.300 17810 819 1 4 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.229 -0.239 17810 820 1 4 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.003 -0.003 17810 821 1 4 . 1 1 49 49 THR N N 49 104.230 104.230 107.963 -3.733 17810 822 1 4 . 1 1 49 49 THR C C 49 175.840 175.840 174.521 1.319 17810 823 1 4 . 1 1 49 49 THR CA C 49 60.270 60.270 61.268 -0.998 17810 824 1 4 . 1 1 49 49 THR CB C 49 69.900 69.900 70.358 -0.458 17810 825 1 4 . 1 1 50 50 LYS N N 50 119.710 119.710 117.377 2.333 17810 826 1 4 . 1 1 50 50 LYS C C 50 175.470 175.470 174.885 0.585 17810 827 1 4 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.300 -1.710 17810 828 1 4 . 1 1 50 50 LYS CB C 50 28.030 28.030 28.933 -0.903 17810 829 1 4 . 1 1 51 51 THR N N 51 112.000 112.000 114.635 -2.635 17810 830 1 4 . 1 1 51 51 THR C C 51 174.440 174.440 173.496 0.944 17810 831 1 4 . 1 1 51 51 THR CA C 51 62.470 62.470 62.130 0.340 17810 832 1 4 . 1 1 51 51 THR CB C 51 71.710 71.710 71.180 0.530 17810 833 1 4 . 1 1 52 52 PHE N N 52 130.280 130.280 126.345 3.935 17810 834 1 4 . 1 1 52 52 PHE C C 52 175.810 175.810 175.244 0.566 17810 835 1 4 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.568 0.012 17810 836 1 4 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.968 0.092 17810 837 1 4 . 1 1 53 53 THR N N 53 112.210 112.210 113.276 -1.066 17810 838 1 4 . 1 1 53 53 THR C C 53 172.250 172.250 172.457 -0.207 17810 839 1 4 . 1 1 53 53 THR CA C 53 60.390 60.390 60.177 0.213 17810 840 1 4 . 1 1 53 53 THR CB C 53 71.890 71.890 72.241 -0.351 17810 841 1 4 . 1 1 54 54 VAL N N 54 118.430 118.430 123.143 -4.713 17810 842 1 4 . 1 1 54 54 VAL C C 54 172.620 172.620 173.162 -0.542 17810 843 1 4 . 1 1 54 54 VAL CA C 54 58.480 58.480 59.262 -0.782 17810 844 1 4 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.907 -2.187 17810 845 1 4 . 1 1 55 55 THR N N 55 124.100 124.100 124.954 -0.854 17810 846 1 4 . 1 1 55 55 THR C C 55 174.170 174.170 173.410 0.760 17810 847 1 4 . 1 1 55 55 THR CA C 55 61.320 61.320 61.110 0.210 17810 848 1 4 . 1 1 55 55 THR CB C 55 72.090 72.090 70.804 1.286 17810 849 1 5 . 1 1 2 2 GLN N N 2 125.240 125.240 122.375 2.865 17810 850 1 5 . 1 1 2 2 GLN C C 2 175.080 175.080 173.696 1.384 17810 851 1 5 . 1 1 2 2 GLN CA C 2 55.880 55.880 53.990 1.890 17810 852 1 5 . 1 1 2 2 GLN CB C 2 30.450 30.450 32.208 -1.758 17810 853 1 5 . 1 1 3 3 TYR N N 3 123.340 123.340 120.607 2.733 17810 854 1 5 . 1 1 3 3 TYR C C 3 174.980 174.980 174.755 0.225 17810 855 1 5 . 1 1 3 3 TYR CA C 3 57.010 57.010 55.963 1.047 17810 856 1 5 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.505 1.165 17810 857 1 5 . 1 1 4 4 LYS N N 4 122.670 122.670 120.603 2.067 17810 858 1 5 . 1 1 4 4 LYS C C 4 173.310 173.310 174.232 -0.922 17810 859 1 5 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.499 0.381 17810 860 1 5 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.086 -0.836 17810 861 1 5 . 1 1 5 5 LEU N N 5 126.980 126.980 126.464 0.516 17810 862 1 5 . 1 1 5 5 LEU C C 5 174.800 174.800 174.640 0.160 17810 863 1 5 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.794 0.177 17810 864 1 5 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.089 -2.549 17810 865 1 5 . 1 1 6 6 ILE N N 6 126.260 126.260 125.200 1.060 17810 866 1 5 . 1 1 6 6 ILE C C 6 175.310 175.310 174.686 0.624 17810 867 1 5 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.254 1.716 17810 868 1 5 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.573 -0.723 17810 869 1 5 . 1 1 7 7 LEU N N 7 127.080 127.080 127.855 -0.775 17810 870 1 5 . 1 1 7 7 LEU C C 7 175.120 175.120 175.785 -0.665 17810 871 1 5 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.176 0.484 17810 872 1 5 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.374 -0.474 17810 873 1 5 . 1 1 8 8 ASN N N 8 125.110 125.110 122.964 2.146 17810 874 1 5 . 1 1 8 8 ASN C C 8 176.430 176.430 174.864 1.566 17810 875 1 5 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.720 -1.000 17810 876 1 5 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.408 -1.038 17810 877 1 5 . 1 1 9 9 GLY N N 9 109.620 109.620 108.385 1.235 17810 878 1 5 . 1 1 9 9 GLY C C 9 173.220 173.220 174.568 -1.348 17810 879 1 5 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.853 0.727 17810 880 1 5 . 1 1 10 10 LYS N N 10 121.070 121.070 122.785 -1.715 17810 881 1 5 . 1 1 10 10 LYS C C 10 179.170 179.170 177.442 1.728 17810 882 1 5 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.906 0.364 17810 883 1 5 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.326 0.524 17810 884 1 5 . 1 1 11 11 THR N N 11 106.400 106.400 110.081 -3.681 17810 885 1 5 . 1 1 11 11 THR C C 11 173.420 173.420 174.452 -1.032 17810 886 1 5 . 1 1 11 11 THR CA C 11 61.910 61.910 62.545 -0.635 17810 887 1 5 . 1 1 11 11 THR CB C 11 69.490 69.490 71.030 -1.540 17810 888 1 5 . 1 1 12 12 LEU N N 12 127.760 127.760 122.934 4.826 17810 889 1 5 . 1 1 12 12 LEU C C 12 173.850 173.850 174.130 -0.280 17810 890 1 5 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.738 -0.308 17810 891 1 5 . 1 1 12 12 LEU CB C 12 43.070 43.070 43.877 -0.807 17810 892 1 5 . 1 1 13 13 LYS N N 13 123.250 123.250 123.949 -0.699 17810 893 1 5 . 1 1 13 13 LYS C C 13 175.830 175.830 175.785 0.045 17810 894 1 5 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.312 -1.972 17810 895 1 5 . 1 1 13 13 LYS CB C 13 38.830 38.830 35.770 3.061 17810 896 1 5 . 1 1 14 14 GLY N N 14 105.610 105.610 109.443 -3.833 17810 897 1 5 . 1 1 14 14 GLY C C 14 171.370 171.370 171.877 -0.507 17810 898 1 5 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.449 -0.559 17810 899 1 5 . 1 1 15 15 GLU N N 15 121.070 121.070 119.061 2.009 17810 900 1 5 . 1 1 15 15 GLU C C 15 174.110 174.110 175.553 -1.443 17810 901 1 5 . 1 1 15 15 GLU CA C 15 53.890 53.890 54.596 -0.707 17810 902 1 5 . 1 1 15 15 GLU CB C 15 34.160 34.160 33.710 0.450 17810 903 1 5 . 1 1 16 16 THR N N 16 115.180 115.180 116.294 -1.114 17810 904 1 5 . 1 1 16 16 THR C C 16 172.040 172.040 172.572 -0.532 17810 905 1 5 . 1 1 16 16 THR CA C 16 60.120 60.120 61.434 -1.314 17810 906 1 5 . 1 1 16 16 THR CB C 16 70.510 70.510 70.529 -0.019 17810 907 1 5 . 1 1 17 17 THR N N 17 116.050 116.050 117.218 -1.168 17810 908 1 5 . 1 1 17 17 THR C C 17 174.250 174.250 173.994 0.256 17810 909 1 5 . 1 1 17 17 THR CA C 17 60.320 60.320 60.438 -0.118 17810 910 1 5 . 1 1 17 17 THR CB C 17 72.640 72.640 71.682 0.958 17810 911 1 5 . 1 1 18 18 THR N N 18 116.260 116.260 117.430 -1.170 17810 912 1 5 . 1 1 18 18 THR C C 18 171.270 171.270 172.233 -0.963 17810 913 1 5 . 1 1 18 18 THR CA C 18 61.310 61.310 61.935 -0.625 17810 914 1 5 . 1 1 18 18 THR CB C 18 70.840 70.840 70.633 0.207 17810 915 1 5 . 1 1 19 19 GLU N N 19 125.350 125.350 125.826 -0.476 17810 916 1 5 . 1 1 19 19 GLU C C 19 175.900 175.900 175.286 0.614 17810 917 1 5 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.082 -0.752 17810 918 1 5 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.586 -1.026 17810 919 1 5 . 1 1 20 20 ALA N N 20 125.880 125.880 128.687 -2.807 17810 920 1 5 . 1 1 20 20 ALA C C 20 177.790 177.790 176.707 1.083 17810 921 1 5 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.956 -0.266 17810 922 1 5 . 1 1 20 20 ALA CB C 20 23.670 23.670 22.024 1.645 17810 923 1 5 . 1 1 21 21 VAL N N 21 116.280 116.280 119.904 -3.624 17810 924 1 5 . 1 1 21 21 VAL C C 21 175.100 175.100 176.066 -0.966 17810 925 1 5 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.627 -1.157 17810 926 1 5 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.319 -0.359 17810 927 1 5 . 1 1 22 22 ASP N N 22 115.520 115.520 115.765 -0.245 17810 928 1 5 . 1 1 22 22 ASP C C 22 175.080 175.080 175.997 -0.917 17810 929 1 5 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.806 -0.276 17810 930 1 5 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.793 0.507 17810 931 1 5 . 1 1 23 23 ALA N N 23 122.820 122.820 122.208 0.612 17810 932 1 5 . 1 1 23 23 ALA C C 23 179.730 179.730 178.870 0.860 17810 933 1 5 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.938 -0.388 17810 934 1 5 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.619 -0.419 17810 935 1 5 . 1 1 24 24 ALA N N 24 120.750 120.750 121.199 -0.449 17810 936 1 5 . 1 1 24 24 ALA C C 24 181.530 181.530 179.243 2.287 17810 937 1 5 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.726 -0.186 17810 938 1 5 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.067 0.133 17810 939 1 5 . 1 1 25 25 THR N N 25 117.370 117.370 110.934 6.436 17810 940 1 5 . 1 1 25 25 THR C C 25 175.920 175.920 176.243 -0.323 17810 941 1 5 . 1 1 25 25 THR CA C 25 67.230 67.230 64.387 2.843 17810 942 1 5 . 1 1 25 25 THR CB C 25 67.820 67.820 69.244 -1.424 17810 943 1 5 . 1 1 26 26 ALA N N 26 123.990 123.990 124.606 -0.616 17810 944 1 5 . 1 1 26 26 ALA C C 26 177.280 177.280 178.600 -1.320 17810 945 1 5 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.639 0.381 17810 946 1 5 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.525 0.025 17810 947 1 5 . 1 1 27 27 GLU N N 27 116.350 116.350 117.170 -0.820 17810 948 1 5 . 1 1 27 27 GLU C C 27 177.820 177.820 178.450 -0.630 17810 949 1 5 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.368 -0.278 17810 950 1 5 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.850 0.210 17810 951 1 5 . 1 1 28 28 LYS N N 28 117.380 117.380 119.218 -1.838 17810 952 1 5 . 1 1 28 28 LYS C C 28 179.240 179.240 179.101 0.139 17810 953 1 5 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.660 1.530 17810 954 1 5 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.172 0.618 17810 955 1 5 . 1 1 29 29 VAL N N 29 119.340 119.340 120.434 -1.094 17810 956 1 5 . 1 1 29 29 VAL C C 29 178.980 178.980 177.839 1.141 17810 957 1 5 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.373 -0.063 17810 958 1 5 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.435 0.485 17810 959 1 5 . 1 1 30 30 PHE N N 30 118.680 118.680 118.923 -0.243 17810 960 1 5 . 1 1 30 30 PHE C C 30 179.090 179.090 177.757 1.333 17810 961 1 5 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.701 -4.161 17810 962 1 5 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.959 -0.469 17810 963 1 5 . 1 1 31 31 LYS N N 31 120.760 120.760 119.012 1.748 17810 964 1 5 . 1 1 31 31 LYS C C 31 179.570 179.570 178.568 1.002 17810 965 1 5 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.946 0.164 17810 966 1 5 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.591 0.019 17810 967 1 5 . 1 1 32 32 GLN N N 32 121.290 121.290 120.119 1.171 17810 968 1 5 . 1 1 32 32 GLN C C 32 177.580 177.580 177.864 -0.284 17810 969 1 5 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.276 -0.356 17810 970 1 5 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.608 0.362 17810 971 1 5 . 1 1 33 33 TYR N N 33 120.990 120.990 121.066 -0.076 17810 972 1 5 . 1 1 33 33 TYR C C 33 178.820 178.820 177.237 1.583 17810 973 1 5 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.399 0.191 17810 974 1 5 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.253 -1.273 17810 975 1 5 . 1 1 34 34 ALA N N 34 122.680 122.680 120.746 1.934 17810 976 1 5 . 1 1 34 34 ALA C C 34 179.620 179.620 179.738 -0.118 17810 977 1 5 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.147 0.923 17810 978 1 5 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.342 -0.242 17810 979 1 5 . 1 1 35 35 ASN N N 35 118.200 118.200 117.531 0.669 17810 980 1 5 . 1 1 35 35 ASN C C 35 179.560 179.560 177.875 1.685 17810 981 1 5 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.327 0.713 17810 982 1 5 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.634 0.616 17810 983 1 5 . 1 1 36 36 ASP N N 36 121.080 121.080 121.440 -0.360 17810 984 1 5 . 1 1 36 36 ASP C C 36 176.180 176.180 177.405 -1.225 17810 985 1 5 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.460 -0.550 17810 986 1 5 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.315 -2.005 17810 987 1 5 . 1 1 37 37 ASN N N 37 115.040 115.040 114.740 0.300 17810 988 1 5 . 1 1 37 37 ASN C C 37 174.280 174.280 175.311 -1.031 17810 989 1 5 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.273 1.237 17810 990 1 5 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.301 2.049 17810 991 1 5 . 1 1 38 38 GLY N N 38 108.350 108.350 108.097 0.253 17810 992 1 5 . 1 1 38 38 GLY C C 38 174.030 174.030 174.422 -0.392 17810 993 1 5 . 1 1 38 38 GLY CA C 38 46.800 46.800 46.037 0.763 17810 994 1 5 . 1 1 39 39 VAL N N 39 121.790 121.790 119.913 1.877 17810 995 1 5 . 1 1 39 39 VAL C C 39 175.200 175.200 174.645 0.555 17810 996 1 5 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.048 -0.328 17810 997 1 5 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.721 -0.781 17810 998 1 5 . 1 1 40 40 ASP N N 40 131.050 131.050 127.632 3.418 17810 999 1 5 . 1 1 40 40 ASP C C 40 174.890 174.890 174.702 0.188 17810 1000 1 5 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.090 -0.320 17810 1001 1 5 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.087 -1.377 17810 1002 1 5 . 1 1 41 41 GLY N N 41 108.100 108.100 110.157 -2.057 17810 1003 1 5 . 1 1 41 41 GLY C C 41 172.810 172.810 173.134 -0.324 17810 1004 1 5 . 1 1 41 41 GLY CA C 41 45.100 45.100 45.089 0.011 17810 1005 1 5 . 1 1 42 42 GLU N N 42 119.020 119.020 120.496 -1.476 17810 1006 1 5 . 1 1 42 42 GLU C C 42 177.940 177.940 175.770 2.170 17810 1007 1 5 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.423 -0.323 17810 1008 1 5 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.080 -0.600 17810 1009 1 5 . 1 1 43 43 TRP N N 43 124.950 124.950 123.241 1.709 17810 1010 1 5 . 1 1 43 43 TRP C C 43 177.420 177.420 177.089 0.331 17810 1011 1 5 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.295 1.165 17810 1012 1 5 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.066 1.744 17810 1013 1 5 . 1 1 44 44 THR N N 44 109.210 109.210 116.400 -7.190 17810 1014 1 5 . 1 1 44 44 THR C C 44 174.030 174.030 172.143 1.887 17810 1015 1 5 . 1 1 44 44 THR CA C 44 60.940 60.940 60.778 0.162 17810 1016 1 5 . 1 1 44 44 THR CB C 44 73.090 73.090 70.345 2.745 17810 1017 1 5 . 1 1 45 45 TYR N N 45 118.610 118.610 124.440 -5.830 17810 1018 1 5 . 1 1 45 45 TYR C C 45 171.910 171.910 173.346 -1.436 17810 1019 1 5 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.763 1.077 17810 1020 1 5 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.846 0.774 17810 1021 1 5 . 1 1 46 46 ASP N N 46 126.340 126.340 126.073 0.267 17810 1022 1 5 . 1 1 46 46 ASP C C 46 176.300 176.300 175.164 1.136 17810 1023 1 5 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.294 -0.404 17810 1024 1 5 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.087 -0.487 17810 1025 1 5 . 1 1 47 47 ASP N N 47 123.390 123.390 125.387 -1.997 17810 1026 1 5 . 1 1 47 47 ASP C C 47 177.510 177.510 176.488 1.022 17810 1027 1 5 . 1 1 47 47 ASP CA C 47 54.640 54.640 54.946 -0.306 17810 1028 1 5 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.298 2.702 17810 1029 1 5 . 1 1 48 48 ALA N N 48 118.980 118.980 121.025 -2.045 17810 1030 1 5 . 1 1 48 48 ALA C C 48 179.700 179.700 178.847 0.853 17810 1031 1 5 . 1 1 48 48 ALA CA C 48 53.990 53.990 53.958 0.032 17810 1032 1 5 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.293 -0.293 17810 1033 1 5 . 1 1 49 49 THR N N 49 104.230 104.230 107.067 -2.837 17810 1034 1 5 . 1 1 49 49 THR C C 49 175.840 175.840 174.546 1.294 17810 1035 1 5 . 1 1 49 49 THR CA C 49 60.270 60.270 61.933 -1.663 17810 1036 1 5 . 1 1 49 49 THR CB C 49 69.900 69.900 70.519 -0.619 17810 1037 1 5 . 1 1 50 50 LYS N N 50 119.710 119.710 118.977 0.733 17810 1038 1 5 . 1 1 50 50 LYS C C 50 175.470 175.470 174.782 0.688 17810 1039 1 5 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.209 -1.619 17810 1040 1 5 . 1 1 50 50 LYS CB C 50 28.030 28.030 28.961 -0.931 17810 1041 1 5 . 1 1 51 51 THR N N 51 112.000 112.000 114.675 -2.675 17810 1042 1 5 . 1 1 51 51 THR C C 51 174.440 174.440 173.477 0.963 17810 1043 1 5 . 1 1 51 51 THR CA C 51 62.470 62.470 62.111 0.359 17810 1044 1 5 . 1 1 51 51 THR CB C 51 71.710 71.710 71.224 0.486 17810 1045 1 5 . 1 1 52 52 PHE N N 52 130.280 130.280 126.374 3.906 17810 1046 1 5 . 1 1 52 52 PHE C C 52 175.810 175.810 175.294 0.516 17810 1047 1 5 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.646 -0.066 17810 1048 1 5 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.794 0.266 17810 1049 1 5 . 1 1 53 53 THR N N 53 112.210 112.210 113.755 -1.545 17810 1050 1 5 . 1 1 53 53 THR C C 53 172.250 172.250 172.514 -0.264 17810 1051 1 5 . 1 1 53 53 THR CA C 53 60.390 60.390 60.579 -0.189 17810 1052 1 5 . 1 1 53 53 THR CB C 53 71.890 71.890 72.068 -0.178 17810 1053 1 5 . 1 1 54 54 VAL N N 54 118.430 118.430 123.406 -4.976 17810 1054 1 5 . 1 1 54 54 VAL C C 54 172.620 172.620 173.294 -0.674 17810 1055 1 5 . 1 1 54 54 VAL CA C 54 58.480 58.480 59.170 -0.690 17810 1056 1 5 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.796 -2.076 17810 1057 1 5 . 1 1 55 55 THR N N 55 124.100 124.100 124.869 -0.769 17810 1058 1 5 . 1 1 55 55 THR C C 55 174.170 174.170 173.416 0.754 17810 1059 1 5 . 1 1 55 55 THR CA C 55 61.320 61.320 61.092 0.228 17810 1060 1 5 . 1 1 55 55 THR CB C 55 72.090 72.090 70.827 1.263 17810 1061 1 6 . 1 1 2 2 GLN N N 2 125.240 125.240 123.446 1.794 17810 1062 1 6 . 1 1 2 2 GLN C C 2 175.080 175.080 174.155 0.925 17810 1063 1 6 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.589 1.292 17810 1064 1 6 . 1 1 2 2 GLN CB C 2 30.450 30.450 31.329 -0.879 17810 1065 1 6 . 1 1 3 3 TYR N N 3 123.340 123.340 124.702 -1.362 17810 1066 1 6 . 1 1 3 3 TYR C C 3 174.980 174.980 174.709 0.271 17810 1067 1 6 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.369 0.641 17810 1068 1 6 . 1 1 3 3 TYR CB C 3 43.670 43.670 43.048 0.622 17810 1069 1 6 . 1 1 4 4 LYS N N 4 122.670 122.670 120.853 1.817 17810 1070 1 6 . 1 1 4 4 LYS C C 4 173.310 173.310 174.089 -0.779 17810 1071 1 6 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.719 0.161 17810 1072 1 6 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.247 -0.997 17810 1073 1 6 . 1 1 5 5 LEU N N 5 126.980 126.980 126.276 0.704 17810 1074 1 6 . 1 1 5 5 LEU C C 5 174.800 174.800 174.581 0.219 17810 1075 1 6 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.858 0.112 17810 1076 1 6 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.439 -2.899 17810 1077 1 6 . 1 1 6 6 ILE N N 6 126.260 126.260 125.318 0.942 17810 1078 1 6 . 1 1 6 6 ILE C C 6 175.310 175.310 174.425 0.885 17810 1079 1 6 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.171 1.799 17810 1080 1 6 . 1 1 6 6 ILE CB C 6 37.850 37.850 37.925 -0.075 17810 1081 1 6 . 1 1 7 7 LEU N N 7 127.080 127.080 126.352 0.728 17810 1082 1 6 . 1 1 7 7 LEU C C 7 175.120 175.120 175.832 -0.712 17810 1083 1 6 . 1 1 7 7 LEU CA C 7 54.660 54.660 52.517 2.143 17810 1084 1 6 . 1 1 7 7 LEU CB C 7 42.900 42.900 41.757 1.143 17810 1085 1 6 . 1 1 8 8 ASN N N 8 125.110 125.110 122.215 2.895 17810 1086 1 6 . 1 1 8 8 ASN C C 8 176.430 176.430 175.062 1.368 17810 1087 1 6 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.641 -0.921 17810 1088 1 6 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.317 -0.947 17810 1089 1 6 . 1 1 9 9 GLY N N 9 109.620 109.620 108.250 1.370 17810 1090 1 6 . 1 1 9 9 GLY C C 9 173.220 173.220 173.829 -0.609 17810 1091 1 6 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.689 0.891 17810 1092 1 6 . 1 1 10 10 LYS N N 10 121.070 121.070 121.045 0.025 17810 1093 1 6 . 1 1 10 10 LYS C C 10 179.170 179.170 177.806 1.364 17810 1094 1 6 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.702 0.569 17810 1095 1 6 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.329 0.521 17810 1096 1 6 . 1 1 11 11 THR N N 11 106.400 106.400 110.045 -3.645 17810 1097 1 6 . 1 1 11 11 THR C C 11 173.420 173.420 174.684 -1.264 17810 1098 1 6 . 1 1 11 11 THR CA C 11 61.910 61.910 62.050 -0.140 17810 1099 1 6 . 1 1 11 11 THR CB C 11 69.490 69.490 70.889 -1.399 17810 1100 1 6 . 1 1 12 12 LEU N N 12 127.760 127.760 122.827 4.933 17810 1101 1 6 . 1 1 12 12 LEU C C 12 173.850 173.850 174.202 -0.352 17810 1102 1 6 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.734 -0.304 17810 1103 1 6 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.250 -1.180 17810 1104 1 6 . 1 1 13 13 LYS N N 13 123.250 123.250 124.656 -1.406 17810 1105 1 6 . 1 1 13 13 LYS C C 13 175.830 175.830 176.116 -0.286 17810 1106 1 6 . 1 1 13 13 LYS CA C 13 53.340 53.340 54.675 -1.335 17810 1107 1 6 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.477 2.353 17810 1108 1 6 . 1 1 14 14 GLY N N 14 105.610 105.610 111.787 -6.177 17810 1109 1 6 . 1 1 14 14 GLY C C 14 171.370 171.370 172.357 -0.987 17810 1110 1 6 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.072 -0.182 17810 1111 1 6 . 1 1 15 15 GLU N N 15 121.070 121.070 120.912 0.158 17810 1112 1 6 . 1 1 15 15 GLU C C 15 174.110 174.110 175.284 -1.174 17810 1113 1 6 . 1 1 15 15 GLU CA C 15 53.890 53.890 54.893 -1.003 17810 1114 1 6 . 1 1 15 15 GLU CB C 15 34.160 34.160 33.921 0.239 17810 1115 1 6 . 1 1 16 16 THR N N 16 115.180 115.180 115.935 -0.755 17810 1116 1 6 . 1 1 16 16 THR C C 16 172.040 172.040 172.494 -0.454 17810 1117 1 6 . 1 1 16 16 THR CA C 16 60.120 60.120 62.157 -2.038 17810 1118 1 6 . 1 1 16 16 THR CB C 16 70.510 70.510 71.871 -1.361 17810 1119 1 6 . 1 1 17 17 THR N N 17 116.050 116.050 119.801 -3.751 17810 1120 1 6 . 1 1 17 17 THR C C 17 174.250 174.250 173.190 1.060 17810 1121 1 6 . 1 1 17 17 THR CA C 17 60.320 60.320 61.082 -0.762 17810 1122 1 6 . 1 1 17 17 THR CB C 17 72.640 72.640 70.535 2.105 17810 1123 1 6 . 1 1 18 18 THR N N 18 116.260 116.260 120.896 -4.636 17810 1124 1 6 . 1 1 18 18 THR C C 18 171.270 171.270 172.011 -0.741 17810 1125 1 6 . 1 1 18 18 THR CA C 18 61.310 61.310 61.255 0.055 17810 1126 1 6 . 1 1 18 18 THR CB C 18 70.840 70.840 70.195 0.645 17810 1127 1 6 . 1 1 19 19 GLU N N 19 125.350 125.350 125.535 -0.185 17810 1128 1 6 . 1 1 19 19 GLU C C 19 175.900 175.900 175.173 0.727 17810 1129 1 6 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.423 -1.093 17810 1130 1 6 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.650 -1.090 17810 1131 1 6 . 1 1 20 20 ALA N N 20 125.880 125.880 127.928 -2.048 17810 1132 1 6 . 1 1 20 20 ALA C C 20 177.790 177.790 175.957 1.833 17810 1133 1 6 . 1 1 20 20 ALA CA C 20 50.690 50.690 51.043 -0.353 17810 1134 1 6 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.316 2.354 17810 1135 1 6 . 1 1 21 21 VAL N N 21 116.280 116.280 118.531 -2.251 17810 1136 1 6 . 1 1 21 21 VAL C C 21 175.100 175.100 175.380 -0.280 17810 1137 1 6 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.628 -1.158 17810 1138 1 6 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.028 -0.068 17810 1139 1 6 . 1 1 22 22 ASP N N 22 115.520 115.520 113.624 1.896 17810 1140 1 6 . 1 1 22 22 ASP C C 22 175.080 175.080 176.343 -1.263 17810 1141 1 6 . 1 1 22 22 ASP CA C 22 52.530 52.530 53.083 -0.553 17810 1142 1 6 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.310 0.990 17810 1143 1 6 . 1 1 23 23 ALA N N 23 122.820 122.820 121.840 0.980 17810 1144 1 6 . 1 1 23 23 ALA C C 23 179.730 179.730 178.696 1.034 17810 1145 1 6 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.885 -0.335 17810 1146 1 6 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.416 -0.216 17810 1147 1 6 . 1 1 24 24 ALA N N 24 120.750 120.750 121.115 -0.365 17810 1148 1 6 . 1 1 24 24 ALA C C 24 181.530 181.530 179.420 2.110 17810 1149 1 6 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.676 -0.136 17810 1150 1 6 . 1 1 24 24 ALA CB C 24 18.200 18.200 17.983 0.217 17810 1151 1 6 . 1 1 25 25 THR N N 25 117.370 117.370 114.800 2.570 17810 1152 1 6 . 1 1 25 25 THR C C 25 175.920 175.920 175.906 0.014 17810 1153 1 6 . 1 1 25 25 THR CA C 25 67.230 67.230 65.715 1.516 17810 1154 1 6 . 1 1 25 25 THR CB C 25 67.820 67.820 69.001 -1.181 17810 1155 1 6 . 1 1 26 26 ALA N N 26 123.990 123.990 124.308 -0.318 17810 1156 1 6 . 1 1 26 26 ALA C C 26 177.280 177.280 178.498 -1.218 17810 1157 1 6 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.709 0.311 17810 1158 1 6 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.408 0.142 17810 1159 1 6 . 1 1 27 27 GLU N N 27 116.350 116.350 117.051 -0.701 17810 1160 1 6 . 1 1 27 27 GLU C C 27 177.820 177.820 178.353 -0.533 17810 1161 1 6 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.125 -0.035 17810 1162 1 6 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.867 0.193 17810 1163 1 6 . 1 1 28 28 LYS N N 28 117.380 117.380 119.219 -1.839 17810 1164 1 6 . 1 1 28 28 LYS C C 28 179.240 179.240 179.115 0.125 17810 1165 1 6 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.666 1.524 17810 1166 1 6 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.184 0.607 17810 1167 1 6 . 1 1 29 29 VAL N N 29 119.340 119.340 120.386 -1.046 17810 1168 1 6 . 1 1 29 29 VAL C C 29 178.980 178.980 177.858 1.122 17810 1169 1 6 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.325 -0.015 17810 1170 1 6 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.461 0.459 17810 1171 1 6 . 1 1 30 30 PHE N N 30 118.680 118.680 118.978 -0.298 17810 1172 1 6 . 1 1 30 30 PHE C C 30 179.090 179.090 177.731 1.359 17810 1173 1 6 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.579 -4.039 17810 1174 1 6 . 1 1 30 30 PHE CB C 30 37.490 37.490 38.060 -0.570 17810 1175 1 6 . 1 1 31 31 LYS N N 31 120.760 120.760 119.146 1.614 17810 1176 1 6 . 1 1 31 31 LYS C C 31 179.570 179.570 178.597 0.973 17810 1177 1 6 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.620 0.490 17810 1178 1 6 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.658 -0.048 17810 1179 1 6 . 1 1 32 32 GLN N N 32 121.290 121.290 120.091 1.199 17810 1180 1 6 . 1 1 32 32 GLN C C 32 177.580 177.580 177.799 -0.219 17810 1181 1 6 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.265 -0.345 17810 1182 1 6 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.540 0.430 17810 1183 1 6 . 1 1 33 33 TYR N N 33 120.990 120.990 120.967 0.023 17810 1184 1 6 . 1 1 33 33 TYR C C 33 178.820 178.820 177.169 1.651 17810 1185 1 6 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.444 0.146 17810 1186 1 6 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.275 -1.295 17810 1187 1 6 . 1 1 34 34 ALA N N 34 122.680 122.680 120.578 2.102 17810 1188 1 6 . 1 1 34 34 ALA C C 34 179.620 179.620 179.526 0.094 17810 1189 1 6 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.076 0.994 17810 1190 1 6 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.316 -0.216 17810 1191 1 6 . 1 1 35 35 ASN N N 35 118.200 118.200 117.336 0.864 17810 1192 1 6 . 1 1 35 35 ASN C C 35 179.560 179.560 177.899 1.661 17810 1193 1 6 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.247 0.793 17810 1194 1 6 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.708 0.542 17810 1195 1 6 . 1 1 36 36 ASP N N 36 121.080 121.080 121.361 -0.281 17810 1196 1 6 . 1 1 36 36 ASP C C 36 176.180 176.180 177.409 -1.229 17810 1197 1 6 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.443 -0.533 17810 1198 1 6 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.373 -2.063 17810 1199 1 6 . 1 1 37 37 ASN N N 37 115.040 115.040 114.928 0.112 17810 1200 1 6 . 1 1 37 37 ASN C C 37 174.280 174.280 175.302 -1.022 17810 1201 1 6 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.260 1.250 17810 1202 1 6 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.226 2.124 17810 1203 1 6 . 1 1 38 38 GLY N N 38 108.350 108.350 107.891 0.459 17810 1204 1 6 . 1 1 38 38 GLY C C 38 174.030 174.030 174.458 -0.428 17810 1205 1 6 . 1 1 38 38 GLY CA C 38 46.800 46.800 46.081 0.719 17810 1206 1 6 . 1 1 39 39 VAL N N 39 121.790 121.790 120.192 1.598 17810 1207 1 6 . 1 1 39 39 VAL C C 39 175.200 175.200 174.491 0.709 17810 1208 1 6 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.256 -0.536 17810 1209 1 6 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.642 -0.702 17810 1210 1 6 . 1 1 40 40 ASP N N 40 131.050 131.050 127.631 3.419 17810 1211 1 6 . 1 1 40 40 ASP C C 40 174.890 174.890 174.721 0.169 17810 1212 1 6 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.218 -0.448 17810 1213 1 6 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.237 -1.527 17810 1214 1 6 . 1 1 41 41 GLY N N 41 108.100 108.100 110.142 -2.042 17810 1215 1 6 . 1 1 41 41 GLY C C 41 172.810 172.810 173.125 -0.315 17810 1216 1 6 . 1 1 41 41 GLY CA C 41 45.100 45.100 45.038 0.062 17810 1217 1 6 . 1 1 42 42 GLU N N 42 119.020 119.020 120.489 -1.469 17810 1218 1 6 . 1 1 42 42 GLU C C 42 177.940 177.940 175.779 2.161 17810 1219 1 6 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.429 -0.329 17810 1220 1 6 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.035 -0.555 17810 1221 1 6 . 1 1 43 43 TRP N N 43 124.950 124.950 123.289 1.661 17810 1222 1 6 . 1 1 43 43 TRP C C 43 177.420 177.420 177.103 0.317 17810 1223 1 6 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.308 1.152 17810 1224 1 6 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.081 1.729 17810 1225 1 6 . 1 1 44 44 THR N N 44 109.210 109.210 116.393 -7.183 17810 1226 1 6 . 1 1 44 44 THR C C 44 174.030 174.030 172.152 1.878 17810 1227 1 6 . 1 1 44 44 THR CA C 44 60.940 60.940 60.830 0.110 17810 1228 1 6 . 1 1 44 44 THR CB C 44 73.090 73.090 70.350 2.740 17810 1229 1 6 . 1 1 45 45 TYR N N 45 118.610 118.610 124.288 -5.678 17810 1230 1 6 . 1 1 45 45 TYR C C 45 171.910 171.910 173.313 -1.403 17810 1231 1 6 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.802 1.038 17810 1232 1 6 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.802 0.818 17810 1233 1 6 . 1 1 46 46 ASP N N 46 126.340 126.340 126.259 0.081 17810 1234 1 6 . 1 1 46 46 ASP C C 46 176.300 176.300 174.380 1.920 17810 1235 1 6 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.821 -0.931 17810 1236 1 6 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.257 -0.657 17810 1237 1 6 . 1 1 47 47 ASP N N 47 123.390 123.390 127.025 -3.635 17810 1238 1 6 . 1 1 47 47 ASP C C 47 177.510 177.510 176.898 0.612 17810 1239 1 6 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.390 -0.750 17810 1240 1 6 . 1 1 47 47 ASP CB C 47 43.000 43.000 41.267 1.733 17810 1241 1 6 . 1 1 48 48 ALA N N 48 118.980 118.980 120.618 -1.638 17810 1242 1 6 . 1 1 48 48 ALA C C 48 179.700 179.700 178.378 1.322 17810 1243 1 6 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.278 -0.288 17810 1244 1 6 . 1 1 48 48 ALA CB C 48 19.000 19.000 18.726 0.274 17810 1245 1 6 . 1 1 49 49 THR N N 49 104.230 104.230 108.924 -4.694 17810 1246 1 6 . 1 1 49 49 THR C C 49 175.840 175.840 174.663 1.177 17810 1247 1 6 . 1 1 49 49 THR CA C 49 60.270 60.270 60.994 -0.724 17810 1248 1 6 . 1 1 49 49 THR CB C 49 69.900 69.900 70.355 -0.454 17810 1249 1 6 . 1 1 50 50 LYS N N 50 119.710 119.710 117.454 2.256 17810 1250 1 6 . 1 1 50 50 LYS C C 50 175.470 175.470 174.945 0.525 17810 1251 1 6 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.211 -1.621 17810 1252 1 6 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.143 -1.113 17810 1253 1 6 . 1 1 51 51 THR N N 51 112.000 112.000 114.734 -2.734 17810 1254 1 6 . 1 1 51 51 THR C C 51 174.440 174.440 173.447 0.993 17810 1255 1 6 . 1 1 51 51 THR CA C 51 62.470 62.470 62.169 0.301 17810 1256 1 6 . 1 1 51 51 THR CB C 51 71.710 71.710 71.185 0.525 17810 1257 1 6 . 1 1 52 52 PHE N N 52 130.280 130.280 126.329 3.951 17810 1258 1 6 . 1 1 52 52 PHE C C 52 175.810 175.810 175.129 0.681 17810 1259 1 6 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.592 -0.012 17810 1260 1 6 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.903 0.157 17810 1261 1 6 . 1 1 53 53 THR N N 53 112.210 112.210 113.650 -1.440 17810 1262 1 6 . 1 1 53 53 THR C C 53 172.250 172.250 172.457 -0.207 17810 1263 1 6 . 1 1 53 53 THR CA C 53 60.390 60.390 60.118 0.272 17810 1264 1 6 . 1 1 53 53 THR CB C 53 71.890 71.890 72.146 -0.256 17810 1265 1 6 . 1 1 54 54 VAL N N 54 118.430 118.430 123.370 -4.940 17810 1266 1 6 . 1 1 54 54 VAL C C 54 172.620 172.620 173.247 -0.627 17810 1267 1 6 . 1 1 54 54 VAL CA C 54 58.480 58.480 59.141 -0.661 17810 1268 1 6 . 1 1 54 54 VAL CB C 54 32.720 32.720 35.045 -2.325 17810 1269 1 6 . 1 1 55 55 THR N N 55 124.100 124.100 124.609 -0.509 17810 1270 1 6 . 1 1 55 55 THR C C 55 174.170 174.170 173.535 0.635 17810 1271 1 6 . 1 1 55 55 THR CA C 55 61.320 61.320 61.366 -0.046 17810 1272 1 6 . 1 1 55 55 THR CB C 55 72.090 72.090 70.901 1.189 17810 1273 1 7 . 1 1 2 2 GLN N N 2 125.240 125.240 122.478 2.762 17810 1274 1 7 . 1 1 2 2 GLN C C 2 175.080 175.080 174.213 0.867 17810 1275 1 7 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.704 1.176 17810 1276 1 7 . 1 1 2 2 GLN CB C 2 30.450 30.450 30.526 -0.076 17810 1277 1 7 . 1 1 3 3 TYR N N 3 123.340 123.340 125.062 -1.722 17810 1278 1 7 . 1 1 3 3 TYR C C 3 174.980 174.980 175.378 -0.398 17810 1279 1 7 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.441 0.569 17810 1280 1 7 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.111 1.560 17810 1281 1 7 . 1 1 4 4 LYS N N 4 122.670 122.670 120.785 1.885 17810 1282 1 7 . 1 1 4 4 LYS C C 4 173.310 173.310 174.059 -0.749 17810 1283 1 7 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.723 0.157 17810 1284 1 7 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.285 -1.035 17810 1285 1 7 . 1 1 5 5 LEU N N 5 126.980 126.980 125.768 1.212 17810 1286 1 7 . 1 1 5 5 LEU C C 5 174.800 174.800 174.496 0.304 17810 1287 1 7 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.810 0.160 17810 1288 1 7 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.275 -2.735 17810 1289 1 7 . 1 1 6 6 ILE N N 6 126.260 126.260 125.911 0.349 17810 1290 1 7 . 1 1 6 6 ILE C C 6 175.310 175.310 174.202 1.108 17810 1291 1 7 . 1 1 6 6 ILE CA C 6 59.970 59.970 59.220 0.750 17810 1292 1 7 . 1 1 6 6 ILE CB C 6 37.850 37.850 39.968 -2.118 17810 1293 1 7 . 1 1 7 7 LEU N N 7 127.080 127.080 128.354 -1.274 17810 1294 1 7 . 1 1 7 7 LEU C C 7 175.120 175.120 175.846 -0.726 17810 1295 1 7 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.125 0.535 17810 1296 1 7 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.275 -0.375 17810 1297 1 7 . 1 1 8 8 ASN N N 8 125.110 125.110 122.220 2.890 17810 1298 1 7 . 1 1 8 8 ASN C C 8 176.430 176.430 174.614 1.816 17810 1299 1 7 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.858 -1.139 17810 1300 1 7 . 1 1 8 8 ASN CB C 8 38.370 38.370 38.171 0.199 17810 1301 1 7 . 1 1 9 9 GLY N N 9 109.620 109.620 108.114 1.506 17810 1302 1 7 . 1 1 9 9 GLY C C 9 173.220 173.220 174.641 -1.421 17810 1303 1 7 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.539 1.041 17810 1304 1 7 . 1 1 10 10 LYS N N 10 121.070 121.070 121.698 -0.628 17810 1305 1 7 . 1 1 10 10 LYS C C 10 179.170 179.170 177.476 1.694 17810 1306 1 7 . 1 1 10 10 LYS CA C 10 59.270 59.270 59.037 0.233 17810 1307 1 7 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.601 0.249 17810 1308 1 7 . 1 1 11 11 THR N N 11 106.400 106.400 110.449 -4.049 17810 1309 1 7 . 1 1 11 11 THR C C 11 173.420 173.420 174.546 -1.126 17810 1310 1 7 . 1 1 11 11 THR CA C 11 61.910 61.910 62.537 -0.627 17810 1311 1 7 . 1 1 11 11 THR CB C 11 69.490 69.490 70.920 -1.430 17810 1312 1 7 . 1 1 12 12 LEU N N 12 127.760 127.760 122.841 4.919 17810 1313 1 7 . 1 1 12 12 LEU C C 12 173.850 173.850 174.026 -0.176 17810 1314 1 7 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.895 -0.465 17810 1315 1 7 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.013 -0.943 17810 1316 1 7 . 1 1 13 13 LYS N N 13 123.250 123.250 124.823 -1.573 17810 1317 1 7 . 1 1 13 13 LYS C C 13 175.830 175.830 175.912 -0.082 17810 1318 1 7 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.142 -1.802 17810 1319 1 7 . 1 1 13 13 LYS CB C 13 38.830 38.830 35.760 3.070 17810 1320 1 7 . 1 1 14 14 GLY N N 14 105.610 105.610 112.868 -7.258 17810 1321 1 7 . 1 1 14 14 GLY C C 14 171.370 171.370 172.154 -0.784 17810 1322 1 7 . 1 1 14 14 GLY CA C 14 44.890 44.890 44.926 -0.036 17810 1323 1 7 . 1 1 15 15 GLU N N 15 121.070 121.070 121.076 -0.006 17810 1324 1 7 . 1 1 15 15 GLU C C 15 174.110 174.110 175.364 -1.254 17810 1325 1 7 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.557 -1.667 17810 1326 1 7 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.622 -0.462 17810 1327 1 7 . 1 1 16 16 THR N N 16 115.180 115.180 116.602 -1.422 17810 1328 1 7 . 1 1 16 16 THR C C 16 172.040 172.040 172.571 -0.531 17810 1329 1 7 . 1 1 16 16 THR CA C 16 60.120 60.120 61.716 -1.596 17810 1330 1 7 . 1 1 16 16 THR CB C 16 70.510 70.510 71.637 -1.127 17810 1331 1 7 . 1 1 17 17 THR N N 17 116.050 116.050 116.050 0.000 17810 1332 1 7 . 1 1 17 17 THR C C 17 174.250 174.250 173.594 0.656 17810 1333 1 7 . 1 1 17 17 THR CA C 17 60.320 60.320 60.177 0.143 17810 1334 1 7 . 1 1 17 17 THR CB C 17 72.640 72.640 71.852 0.788 17810 1335 1 7 . 1 1 18 18 THR N N 18 116.260 116.260 116.839 -0.579 17810 1336 1 7 . 1 1 18 18 THR C C 18 171.270 171.270 172.222 -0.952 17810 1337 1 7 . 1 1 18 18 THR CA C 18 61.310 61.310 61.150 0.160 17810 1338 1 7 . 1 1 18 18 THR CB C 18 70.840 70.840 70.597 0.243 17810 1339 1 7 . 1 1 19 19 GLU N N 19 125.350 125.350 125.522 -0.172 17810 1340 1 7 . 1 1 19 19 GLU C C 19 175.900 175.900 175.138 0.762 17810 1341 1 7 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.303 -0.973 17810 1342 1 7 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.629 -1.069 17810 1343 1 7 . 1 1 20 20 ALA N N 20 125.880 125.880 128.658 -2.778 17810 1344 1 7 . 1 1 20 20 ALA C C 20 177.790 177.790 175.947 1.843 17810 1345 1 7 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.726 -0.036 17810 1346 1 7 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.772 1.898 17810 1347 1 7 . 1 1 21 21 VAL N N 21 116.280 116.280 119.223 -2.943 17810 1348 1 7 . 1 1 21 21 VAL C C 21 175.100 175.100 175.947 -0.847 17810 1349 1 7 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.242 -0.772 17810 1350 1 7 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.376 -0.416 17810 1351 1 7 . 1 1 22 22 ASP N N 22 115.520 115.520 115.510 0.010 17810 1352 1 7 . 1 1 22 22 ASP C C 22 175.080 175.080 175.960 -0.880 17810 1353 1 7 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.682 -0.152 17810 1354 1 7 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.709 0.591 17810 1355 1 7 . 1 1 23 23 ALA N N 23 122.820 122.820 121.705 1.115 17810 1356 1 7 . 1 1 23 23 ALA C C 23 179.730 179.730 178.718 1.012 17810 1357 1 7 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.917 -0.367 17810 1358 1 7 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.319 -0.119 17810 1359 1 7 . 1 1 24 24 ALA N N 24 120.750 120.750 121.113 -0.363 17810 1360 1 7 . 1 1 24 24 ALA C C 24 181.530 181.530 179.315 2.215 17810 1361 1 7 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.629 -0.089 17810 1362 1 7 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.203 -0.003 17810 1363 1 7 . 1 1 25 25 THR N N 25 117.370 117.370 111.924 5.446 17810 1364 1 7 . 1 1 25 25 THR C C 25 175.920 175.920 176.058 -0.138 17810 1365 1 7 . 1 1 25 25 THR CA C 25 67.230 67.230 64.848 2.382 17810 1366 1 7 . 1 1 25 25 THR CB C 25 67.820 67.820 68.798 -0.978 17810 1367 1 7 . 1 1 26 26 ALA N N 26 123.990 123.990 124.565 -0.575 17810 1368 1 7 . 1 1 26 26 ALA C C 26 177.280 177.280 178.457 -1.177 17810 1369 1 7 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.580 0.440 17810 1370 1 7 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.387 0.163 17810 1371 1 7 . 1 1 27 27 GLU N N 27 116.350 116.350 116.909 -0.559 17810 1372 1 7 . 1 1 27 27 GLU C C 27 177.820 177.820 178.343 -0.523 17810 1373 1 7 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.039 0.051 17810 1374 1 7 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.864 0.196 17810 1375 1 7 . 1 1 28 28 LYS N N 28 117.380 117.380 119.351 -1.971 17810 1376 1 7 . 1 1 28 28 LYS C C 28 179.240 179.240 179.096 0.144 17810 1377 1 7 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.736 1.454 17810 1378 1 7 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.172 0.618 17810 1379 1 7 . 1 1 29 29 VAL N N 29 119.340 119.340 120.168 -0.828 17810 1380 1 7 . 1 1 29 29 VAL C C 29 178.980 178.980 178.009 0.971 17810 1381 1 7 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.437 -0.127 17810 1382 1 7 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.041 0.879 17810 1383 1 7 . 1 1 30 30 PHE N N 30 118.680 118.680 119.107 -0.427 17810 1384 1 7 . 1 1 30 30 PHE C C 30 179.090 179.090 177.824 1.266 17810 1385 1 7 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.881 -4.341 17810 1386 1 7 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.899 -0.409 17810 1387 1 7 . 1 1 31 31 LYS N N 31 120.760 120.760 118.938 1.822 17810 1388 1 7 . 1 1 31 31 LYS C C 31 179.570 179.570 178.604 0.966 17810 1389 1 7 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.906 0.204 17810 1390 1 7 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.493 0.117 17810 1391 1 7 . 1 1 32 32 GLN N N 32 121.290 121.290 120.061 1.229 17810 1392 1 7 . 1 1 32 32 GLN C C 32 177.580 177.580 178.035 -0.455 17810 1393 1 7 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.169 -0.249 17810 1394 1 7 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.630 0.340 17810 1395 1 7 . 1 1 33 33 TYR N N 33 120.990 120.990 121.281 -0.291 17810 1396 1 7 . 1 1 33 33 TYR C C 33 178.820 178.820 177.259 1.561 17810 1397 1 7 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.339 0.251 17810 1398 1 7 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.319 -1.339 17810 1399 1 7 . 1 1 34 34 ALA N N 34 122.680 122.680 120.017 2.663 17810 1400 1 7 . 1 1 34 34 ALA C C 34 179.620 179.620 179.445 0.175 17810 1401 1 7 . 1 1 34 34 ALA CA C 34 56.070 56.070 54.885 1.185 17810 1402 1 7 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.486 -0.386 17810 1403 1 7 . 1 1 35 35 ASN N N 35 118.200 118.200 117.398 0.802 17810 1404 1 7 . 1 1 35 35 ASN C C 35 179.560 179.560 178.093 1.467 17810 1405 1 7 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.103 0.937 17810 1406 1 7 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.527 0.723 17810 1407 1 7 . 1 1 36 36 ASP N N 36 121.080 121.080 121.146 -0.066 17810 1408 1 7 . 1 1 36 36 ASP C C 36 176.180 176.180 176.859 -0.679 17810 1409 1 7 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.217 -0.307 17810 1410 1 7 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.356 -2.046 17810 1411 1 7 . 1 1 37 37 ASN N N 37 115.040 115.040 114.900 0.140 17810 1412 1 7 . 1 1 37 37 ASN C C 37 174.280 174.280 175.309 -1.029 17810 1413 1 7 . 1 1 37 37 ASN CA C 37 53.510 53.510 51.968 1.542 17810 1414 1 7 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.841 1.509 17810 1415 1 7 . 1 1 38 38 GLY N N 38 108.350 108.350 107.000 1.350 17810 1416 1 7 . 1 1 38 38 GLY C C 38 174.030 174.030 174.193 -0.163 17810 1417 1 7 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.516 1.284 17810 1418 1 7 . 1 1 39 39 VAL N N 39 121.790 121.790 120.779 1.011 17810 1419 1 7 . 1 1 39 39 VAL C C 39 175.200 175.200 174.632 0.568 17810 1420 1 7 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.969 -1.250 17810 1421 1 7 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.420 -0.480 17810 1422 1 7 . 1 1 40 40 ASP N N 40 131.050 131.050 126.565 4.485 17810 1423 1 7 . 1 1 40 40 ASP C C 40 174.890 174.890 175.132 -0.242 17810 1424 1 7 . 1 1 40 40 ASP CA C 40 52.770 52.770 52.974 -0.204 17810 1425 1 7 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.585 -1.875 17810 1426 1 7 . 1 1 41 41 GLY N N 41 108.100 108.100 109.977 -1.877 17810 1427 1 7 . 1 1 41 41 GLY C C 41 172.810 172.810 173.245 -0.435 17810 1428 1 7 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.778 0.322 17810 1429 1 7 . 1 1 42 42 GLU N N 42 119.020 119.020 120.960 -1.940 17810 1430 1 7 . 1 1 42 42 GLU C C 42 177.940 177.940 175.542 2.398 17810 1431 1 7 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.727 -0.627 17810 1432 1 7 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.064 -0.584 17810 1433 1 7 . 1 1 43 43 TRP N N 43 124.950 124.950 123.294 1.656 17810 1434 1 7 . 1 1 43 43 TRP C C 43 177.420 177.420 177.168 0.252 17810 1435 1 7 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.245 1.215 17810 1436 1 7 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.361 1.449 17810 1437 1 7 . 1 1 44 44 THR N N 44 109.210 109.210 117.938 -8.728 17810 1438 1 7 . 1 1 44 44 THR C C 44 174.030 174.030 172.197 1.833 17810 1439 1 7 . 1 1 44 44 THR CA C 44 60.940 60.940 60.783 0.157 17810 1440 1 7 . 1 1 44 44 THR CB C 44 73.090 73.090 71.480 1.610 17810 1441 1 7 . 1 1 45 45 TYR N N 45 118.610 118.610 124.685 -6.075 17810 1442 1 7 . 1 1 45 45 TYR C C 45 171.910 171.910 173.500 -1.590 17810 1443 1 7 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.775 1.065 17810 1444 1 7 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.764 0.856 17810 1445 1 7 . 1 1 46 46 ASP N N 46 126.340 126.340 126.004 0.336 17810 1446 1 7 . 1 1 46 46 ASP C C 46 176.300 176.300 175.176 1.124 17810 1447 1 7 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.303 -0.413 17810 1448 1 7 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.030 -0.430 17810 1449 1 7 . 1 1 47 47 ASP N N 47 123.390 123.390 125.562 -2.172 17810 1450 1 7 . 1 1 47 47 ASP C C 47 177.510 177.510 176.941 0.569 17810 1451 1 7 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.242 -0.602 17810 1452 1 7 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.504 2.496 17810 1453 1 7 . 1 1 48 48 ALA N N 48 118.980 118.980 121.521 -2.541 17810 1454 1 7 . 1 1 48 48 ALA C C 48 179.700 179.700 178.597 1.103 17810 1455 1 7 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.203 -0.213 17810 1456 1 7 . 1 1 48 48 ALA CB C 48 19.000 19.000 18.870 0.130 17810 1457 1 7 . 1 1 49 49 THR N N 49 104.230 104.230 108.759 -4.529 17810 1458 1 7 . 1 1 49 49 THR C C 49 175.840 175.840 174.872 0.968 17810 1459 1 7 . 1 1 49 49 THR CA C 49 60.270 60.270 61.568 -1.298 17810 1460 1 7 . 1 1 49 49 THR CB C 49 69.900 69.900 70.657 -0.757 17810 1461 1 7 . 1 1 50 50 LYS N N 50 119.710 119.710 117.972 1.738 17810 1462 1 7 . 1 1 50 50 LYS C C 50 175.470 175.470 174.876 0.594 17810 1463 1 7 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.175 -1.585 17810 1464 1 7 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.281 -1.251 17810 1465 1 7 . 1 1 51 51 THR N N 51 112.000 112.000 114.687 -2.687 17810 1466 1 7 . 1 1 51 51 THR C C 51 174.440 174.440 173.497 0.943 17810 1467 1 7 . 1 1 51 51 THR CA C 51 62.470 62.470 62.160 0.310 17810 1468 1 7 . 1 1 51 51 THR CB C 51 71.710 71.710 71.216 0.494 17810 1469 1 7 . 1 1 52 52 PHE N N 52 130.280 130.280 126.448 3.832 17810 1470 1 7 . 1 1 52 52 PHE C C 52 175.810 175.810 175.208 0.602 17810 1471 1 7 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.591 -0.011 17810 1472 1 7 . 1 1 52 52 PHE CB C 52 43.060 43.060 43.034 0.026 17810 1473 1 7 . 1 1 53 53 THR N N 53 112.210 112.210 113.434 -1.224 17810 1474 1 7 . 1 1 53 53 THR C C 53 172.250 172.250 172.434 -0.184 17810 1475 1 7 . 1 1 53 53 THR CA C 53 60.390 60.390 60.094 0.296 17810 1476 1 7 . 1 1 53 53 THR CB C 53 71.890 71.890 72.206 -0.316 17810 1477 1 7 . 1 1 54 54 VAL N N 54 118.430 118.430 123.342 -4.912 17810 1478 1 7 . 1 1 54 54 VAL C C 54 172.620 172.620 173.178 -0.558 17810 1479 1 7 . 1 1 54 54 VAL CA C 54 58.480 58.480 59.176 -0.696 17810 1480 1 7 . 1 1 54 54 VAL CB C 54 32.720 32.720 35.085 -2.365 17810 1481 1 7 . 1 1 55 55 THR N N 55 124.100 124.100 124.716 -0.616 17810 1482 1 7 . 1 1 55 55 THR C C 55 174.170 174.170 173.448 0.722 17810 1483 1 7 . 1 1 55 55 THR CA C 55 61.320 61.320 61.244 0.076 17810 1484 1 7 . 1 1 55 55 THR CB C 55 72.090 72.090 70.920 1.170 17810 1485 1 8 . 1 1 2 2 GLN N N 2 125.240 125.240 123.695 1.545 17810 1486 1 8 . 1 1 2 2 GLN C C 2 175.080 175.080 174.012 1.068 17810 1487 1 8 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.870 1.010 17810 1488 1 8 . 1 1 2 2 GLN CB C 2 30.450 30.450 31.189 -0.739 17810 1489 1 8 . 1 1 3 3 TYR N N 3 123.340 123.340 124.927 -1.587 17810 1490 1 8 . 1 1 3 3 TYR C C 3 174.980 174.980 174.759 0.221 17810 1491 1 8 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.427 0.583 17810 1492 1 8 . 1 1 3 3 TYR CB C 3 43.670 43.670 43.193 0.477 17810 1493 1 8 . 1 1 4 4 LYS N N 4 122.670 122.670 120.758 1.912 17810 1494 1 8 . 1 1 4 4 LYS C C 4 173.310 173.310 174.018 -0.708 17810 1495 1 8 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.835 0.045 17810 1496 1 8 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.285 -1.035 17810 1497 1 8 . 1 1 5 5 LEU N N 5 126.980 126.980 125.904 1.076 17810 1498 1 8 . 1 1 5 5 LEU C C 5 174.800 174.800 174.506 0.294 17810 1499 1 8 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.608 0.362 17810 1500 1 8 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.426 -2.886 17810 1501 1 8 . 1 1 6 6 ILE N N 6 126.260 126.260 125.056 1.204 17810 1502 1 8 . 1 1 6 6 ILE C C 6 175.310 175.310 174.352 0.958 17810 1503 1 8 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.560 1.410 17810 1504 1 8 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.503 -0.653 17810 1505 1 8 . 1 1 7 7 LEU N N 7 127.080 127.080 127.767 -0.687 17810 1506 1 8 . 1 1 7 7 LEU C C 7 175.120 175.120 175.803 -0.683 17810 1507 1 8 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.127 0.533 17810 1508 1 8 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.455 -0.554 17810 1509 1 8 . 1 1 8 8 ASN N N 8 125.110 125.110 123.154 1.956 17810 1510 1 8 . 1 1 8 8 ASN C C 8 176.430 176.430 174.563 1.867 17810 1511 1 8 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.767 -1.047 17810 1512 1 8 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.451 -1.081 17810 1513 1 8 . 1 1 9 9 GLY N N 9 109.620 109.620 107.962 1.658 17810 1514 1 8 . 1 1 9 9 GLY C C 9 173.220 173.220 174.606 -1.386 17810 1515 1 8 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.589 0.991 17810 1516 1 8 . 1 1 10 10 LYS N N 10 121.070 121.070 122.470 -1.400 17810 1517 1 8 . 1 1 10 10 LYS C C 10 179.170 179.170 177.385 1.785 17810 1518 1 8 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.904 0.366 17810 1519 1 8 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.419 0.431 17810 1520 1 8 . 1 1 11 11 THR N N 11 106.400 106.400 109.389 -2.989 17810 1521 1 8 . 1 1 11 11 THR C C 11 173.420 173.420 174.412 -0.992 17810 1522 1 8 . 1 1 11 11 THR CA C 11 61.910 61.910 62.107 -0.197 17810 1523 1 8 . 1 1 11 11 THR CB C 11 69.490 69.490 70.635 -1.145 17810 1524 1 8 . 1 1 12 12 LEU N N 12 127.760 127.760 122.925 4.835 17810 1525 1 8 . 1 1 12 12 LEU C C 12 173.850 173.850 174.283 -0.433 17810 1526 1 8 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.609 -0.179 17810 1527 1 8 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.126 -1.056 17810 1528 1 8 . 1 1 13 13 LYS N N 13 123.250 123.250 124.504 -1.254 17810 1529 1 8 . 1 1 13 13 LYS C C 13 175.830 175.830 175.815 0.015 17810 1530 1 8 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.156 -1.816 17810 1531 1 8 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.404 2.426 17810 1532 1 8 . 1 1 14 14 GLY N N 14 105.610 105.610 111.573 -5.963 17810 1533 1 8 . 1 1 14 14 GLY C C 14 171.370 171.370 172.189 -0.819 17810 1534 1 8 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.049 -0.159 17810 1535 1 8 . 1 1 15 15 GLU N N 15 121.070 121.070 120.450 0.620 17810 1536 1 8 . 1 1 15 15 GLU C C 15 174.110 174.110 175.232 -1.122 17810 1537 1 8 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.573 -1.683 17810 1538 1 8 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.174 -0.014 17810 1539 1 8 . 1 1 16 16 THR N N 16 115.180 115.180 117.022 -1.842 17810 1540 1 8 . 1 1 16 16 THR C C 16 172.040 172.040 172.525 -0.485 17810 1541 1 8 . 1 1 16 16 THR CA C 16 60.120 60.120 61.252 -1.133 17810 1542 1 8 . 1 1 16 16 THR CB C 16 70.510 70.510 70.296 0.214 17810 1543 1 8 . 1 1 17 17 THR N N 17 116.050 116.050 116.488 -0.438 17810 1544 1 8 . 1 1 17 17 THR C C 17 174.250 174.250 173.682 0.568 17810 1545 1 8 . 1 1 17 17 THR CA C 17 60.320 60.320 60.582 -0.262 17810 1546 1 8 . 1 1 17 17 THR CB C 17 72.640 72.640 71.398 1.242 17810 1547 1 8 . 1 1 18 18 THR N N 18 116.260 116.260 117.302 -1.042 17810 1548 1 8 . 1 1 18 18 THR C C 18 171.270 171.270 172.219 -0.949 17810 1549 1 8 . 1 1 18 18 THR CA C 18 61.310 61.310 61.394 -0.084 17810 1550 1 8 . 1 1 18 18 THR CB C 18 70.840 70.840 70.273 0.567 17810 1551 1 8 . 1 1 19 19 GLU N N 19 125.350 125.350 125.502 -0.152 17810 1552 1 8 . 1 1 19 19 GLU C C 19 175.900 175.900 175.167 0.733 17810 1553 1 8 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.382 -1.052 17810 1554 1 8 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.650 -1.090 17810 1555 1 8 . 1 1 20 20 ALA N N 20 125.880 125.880 127.895 -2.015 17810 1556 1 8 . 1 1 20 20 ALA C C 20 177.790 177.790 175.880 1.910 17810 1557 1 8 . 1 1 20 20 ALA CA C 20 50.690 50.690 51.034 -0.344 17810 1558 1 8 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.315 2.355 17810 1559 1 8 . 1 1 21 21 VAL N N 21 116.280 116.280 117.231 -0.951 17810 1560 1 8 . 1 1 21 21 VAL C C 21 175.100 175.100 174.867 0.233 17810 1561 1 8 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.506 -1.036 17810 1562 1 8 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.410 -0.450 17810 1563 1 8 . 1 1 22 22 ASP N N 22 115.520 115.520 112.527 2.993 17810 1564 1 8 . 1 1 22 22 ASP C C 22 175.080 175.080 175.845 -0.765 17810 1565 1 8 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.590 -0.061 17810 1566 1 8 . 1 1 22 22 ASP CB C 22 42.300 42.300 42.127 0.173 17810 1567 1 8 . 1 1 23 23 ALA N N 23 122.820 122.820 121.833 0.987 17810 1568 1 8 . 1 1 23 23 ALA C C 23 179.730 179.730 178.728 1.002 17810 1569 1 8 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.928 -0.378 17810 1570 1 8 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.404 -0.203 17810 1571 1 8 . 1 1 24 24 ALA N N 24 120.750 120.750 121.100 -0.350 17810 1572 1 8 . 1 1 24 24 ALA C C 24 181.530 181.530 179.345 2.185 17810 1573 1 8 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.584 -0.044 17810 1574 1 8 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.081 0.119 17810 1575 1 8 . 1 1 25 25 THR N N 25 117.370 117.370 114.970 2.400 17810 1576 1 8 . 1 1 25 25 THR C C 25 175.920 175.920 175.994 -0.074 17810 1577 1 8 . 1 1 25 25 THR CA C 25 67.230 67.230 66.128 1.102 17810 1578 1 8 . 1 1 25 25 THR CB C 25 67.820 67.820 68.713 -0.893 17810 1579 1 8 . 1 1 26 26 ALA N N 26 123.990 123.990 124.190 -0.200 17810 1580 1 8 . 1 1 26 26 ALA C C 26 177.280 177.280 178.300 -1.020 17810 1581 1 8 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.561 0.459 17810 1582 1 8 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.330 0.220 17810 1583 1 8 . 1 1 27 27 GLU N N 27 116.350 116.350 117.107 -0.757 17810 1584 1 8 . 1 1 27 27 GLU C C 27 177.820 177.820 178.306 -0.486 17810 1585 1 8 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.100 -0.010 17810 1586 1 8 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.843 0.216 17810 1587 1 8 . 1 1 28 28 LYS N N 28 117.380 117.380 119.237 -1.857 17810 1588 1 8 . 1 1 28 28 LYS C C 28 179.240 179.240 179.056 0.184 17810 1589 1 8 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.749 1.441 17810 1590 1 8 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.143 0.647 17810 1591 1 8 . 1 1 29 29 VAL N N 29 119.340 119.340 120.161 -0.821 17810 1592 1 8 . 1 1 29 29 VAL C C 29 178.980 178.980 178.004 0.976 17810 1593 1 8 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.370 -0.060 17810 1594 1 8 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.023 0.897 17810 1595 1 8 . 1 1 30 30 PHE N N 30 118.680 118.680 119.096 -0.416 17810 1596 1 8 . 1 1 30 30 PHE C C 30 179.090 179.090 177.852 1.238 17810 1597 1 8 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.858 -4.317 17810 1598 1 8 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.860 -0.370 17810 1599 1 8 . 1 1 31 31 LYS N N 31 120.760 120.760 119.416 1.344 17810 1600 1 8 . 1 1 31 31 LYS C C 31 179.570 179.570 178.638 0.932 17810 1601 1 8 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.715 0.395 17810 1602 1 8 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.611 -0.001 17810 1603 1 8 . 1 1 32 32 GLN N N 32 121.290 121.290 120.053 1.237 17810 1604 1 8 . 1 1 32 32 GLN C C 32 177.580 177.580 177.865 -0.285 17810 1605 1 8 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.259 -0.339 17810 1606 1 8 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.580 0.390 17810 1607 1 8 . 1 1 33 33 TYR N N 33 120.990 120.990 121.400 -0.410 17810 1608 1 8 . 1 1 33 33 TYR C C 33 178.820 178.820 177.459 1.361 17810 1609 1 8 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.326 0.264 17810 1610 1 8 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.282 -1.302 17810 1611 1 8 . 1 1 34 34 ALA N N 34 122.680 122.680 120.873 1.807 17810 1612 1 8 . 1 1 34 34 ALA C C 34 179.620 179.620 179.733 -0.113 17810 1613 1 8 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.278 0.792 17810 1614 1 8 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.381 -0.281 17810 1615 1 8 . 1 1 35 35 ASN N N 35 118.200 118.200 117.882 0.318 17810 1616 1 8 . 1 1 35 35 ASN C C 35 179.560 179.560 178.114 1.446 17810 1617 1 8 . 1 1 35 35 ASN CA C 35 57.040 57.040 55.798 1.242 17810 1618 1 8 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.613 0.637 17810 1619 1 8 . 1 1 36 36 ASP N N 36 121.080 121.080 120.980 0.100 17810 1620 1 8 . 1 1 36 36 ASP C C 36 176.180 176.180 177.123 -0.943 17810 1621 1 8 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.568 -0.658 17810 1622 1 8 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.247 -1.937 17810 1623 1 8 . 1 1 37 37 ASN N N 37 115.040 115.040 114.916 0.124 17810 1624 1 8 . 1 1 37 37 ASN C C 37 174.280 174.280 175.323 -1.043 17810 1625 1 8 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.279 1.231 17810 1626 1 8 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.212 2.138 17810 1627 1 8 . 1 1 38 38 GLY N N 38 108.350 108.350 108.295 0.055 17810 1628 1 8 . 1 1 38 38 GLY C C 38 174.030 174.030 174.556 -0.526 17810 1629 1 8 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.982 0.818 17810 1630 1 8 . 1 1 39 39 VAL N N 39 121.790 121.790 120.073 1.717 17810 1631 1 8 . 1 1 39 39 VAL C C 39 175.200 175.200 174.788 0.412 17810 1632 1 8 . 1 1 39 39 VAL CA C 39 61.720 61.720 61.146 0.574 17810 1633 1 8 . 1 1 39 39 VAL CB C 39 31.940 31.940 31.831 0.109 17810 1634 1 8 . 1 1 40 40 ASP N N 40 131.050 131.050 127.547 3.503 17810 1635 1 8 . 1 1 40 40 ASP C C 40 174.890 174.890 174.705 0.185 17810 1636 1 8 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.197 -0.427 17810 1637 1 8 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.220 -1.510 17810 1638 1 8 . 1 1 41 41 GLY N N 41 108.100 108.100 110.259 -2.159 17810 1639 1 8 . 1 1 41 41 GLY C C 41 172.810 172.810 172.957 -0.147 17810 1640 1 8 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.965 0.135 17810 1641 1 8 . 1 1 42 42 GLU N N 42 119.020 119.020 120.973 -1.953 17810 1642 1 8 . 1 1 42 42 GLU C C 42 177.940 177.940 175.757 2.183 17810 1643 1 8 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.413 -0.314 17810 1644 1 8 . 1 1 42 42 GLU CB C 42 31.480 31.480 31.990 -0.510 17810 1645 1 8 . 1 1 43 43 TRP N N 43 124.950 124.950 123.664 1.286 17810 1646 1 8 . 1 1 43 43 TRP C C 43 177.420 177.420 177.052 0.368 17810 1647 1 8 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.323 1.137 17810 1648 1 8 . 1 1 43 43 TRP CB C 43 33.810 33.810 31.927 1.883 17810 1649 1 8 . 1 1 44 44 THR N N 44 109.210 109.210 117.015 -7.805 17810 1650 1 8 . 1 1 44 44 THR C C 44 174.030 174.030 172.086 1.944 17810 1651 1 8 . 1 1 44 44 THR CA C 44 60.940 60.940 60.679 0.261 17810 1652 1 8 . 1 1 44 44 THR CB C 44 73.090 73.090 70.571 2.519 17810 1653 1 8 . 1 1 45 45 TYR N N 45 118.610 118.610 124.479 -5.869 17810 1654 1 8 . 1 1 45 45 TYR C C 45 171.910 171.910 173.510 -1.600 17810 1655 1 8 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.473 1.367 17810 1656 1 8 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.892 0.727 17810 1657 1 8 . 1 1 46 46 ASP N N 46 126.340 126.340 126.053 0.287 17810 1658 1 8 . 1 1 46 46 ASP C C 46 176.300 176.300 174.399 1.901 17810 1659 1 8 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.832 -0.942 17810 1660 1 8 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.286 -0.686 17810 1661 1 8 . 1 1 47 47 ASP N N 47 123.390 123.390 127.219 -3.829 17810 1662 1 8 . 1 1 47 47 ASP C C 47 177.510 177.510 176.864 0.646 17810 1663 1 8 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.150 -0.510 17810 1664 1 8 . 1 1 47 47 ASP CB C 47 43.000 43.000 41.250 1.750 17810 1665 1 8 . 1 1 48 48 ALA N N 48 118.980 118.980 120.467 -1.487 17810 1666 1 8 . 1 1 48 48 ALA C C 48 179.700 179.700 178.382 1.318 17810 1667 1 8 . 1 1 48 48 ALA CA C 48 53.990 53.990 53.971 0.019 17810 1668 1 8 . 1 1 48 48 ALA CB C 48 19.000 19.000 18.917 0.083 17810 1669 1 8 . 1 1 49 49 THR N N 49 104.230 104.230 107.971 -3.741 17810 1670 1 8 . 1 1 49 49 THR C C 49 175.840 175.840 174.932 0.908 17810 1671 1 8 . 1 1 49 49 THR CA C 49 60.270 60.270 61.067 -0.797 17810 1672 1 8 . 1 1 49 49 THR CB C 49 69.900 69.900 70.315 -0.415 17810 1673 1 8 . 1 1 50 50 LYS N N 50 119.710 119.710 117.820 1.890 17810 1674 1 8 . 1 1 50 50 LYS C C 50 175.470 175.470 174.974 0.496 17810 1675 1 8 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.117 -1.528 17810 1676 1 8 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.427 -1.397 17810 1677 1 8 . 1 1 51 51 THR N N 51 112.000 112.000 114.672 -2.672 17810 1678 1 8 . 1 1 51 51 THR C C 51 174.440 174.440 173.514 0.926 17810 1679 1 8 . 1 1 51 51 THR CA C 51 62.470 62.470 62.132 0.338 17810 1680 1 8 . 1 1 51 51 THR CB C 51 71.710 71.710 71.136 0.574 17810 1681 1 8 . 1 1 52 52 PHE N N 52 130.280 130.280 126.481 3.799 17810 1682 1 8 . 1 1 52 52 PHE C C 52 175.810 175.810 175.234 0.576 17810 1683 1 8 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.786 -0.206 17810 1684 1 8 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.978 0.082 17810 1685 1 8 . 1 1 53 53 THR N N 53 112.210 112.210 113.653 -1.443 17810 1686 1 8 . 1 1 53 53 THR C C 53 172.250 172.250 172.497 -0.247 17810 1687 1 8 . 1 1 53 53 THR CA C 53 60.390 60.390 60.492 -0.102 17810 1688 1 8 . 1 1 53 53 THR CB C 53 71.890 71.890 72.091 -0.201 17810 1689 1 8 . 1 1 54 54 VAL N N 54 118.430 118.430 123.501 -5.071 17810 1690 1 8 . 1 1 54 54 VAL C C 54 172.620 172.620 173.189 -0.569 17810 1691 1 8 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.750 -0.270 17810 1692 1 8 . 1 1 54 54 VAL CB C 54 32.720 32.720 33.985 -1.265 17810 1693 1 8 . 1 1 55 55 THR N N 55 124.100 124.100 124.117 -0.017 17810 1694 1 8 . 1 1 55 55 THR C C 55 174.170 174.170 173.694 0.476 17810 1695 1 8 . 1 1 55 55 THR CA C 55 61.320 61.320 61.323 -0.003 17810 1696 1 8 . 1 1 55 55 THR CB C 55 72.090 72.090 71.148 0.942 17810 1697 1 9 . 1 1 2 2 GLN N N 2 125.240 125.240 123.125 2.115 17810 1698 1 9 . 1 1 2 2 GLN C C 2 175.080 175.080 174.784 0.296 17810 1699 1 9 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.734 1.146 17810 1700 1 9 . 1 1 2 2 GLN CB C 2 30.450 30.450 30.488 -0.038 17810 1701 1 9 . 1 1 3 3 TYR N N 3 123.340 123.340 123.651 -0.311 17810 1702 1 9 . 1 1 3 3 TYR C C 3 174.980 174.980 174.872 0.108 17810 1703 1 9 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.617 0.393 17810 1704 1 9 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.984 0.686 17810 1705 1 9 . 1 1 4 4 LYS N N 4 122.670 122.670 120.529 2.141 17810 1706 1 9 . 1 1 4 4 LYS C C 4 173.310 173.310 174.041 -0.731 17810 1707 1 9 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.834 0.046 17810 1708 1 9 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.353 -1.103 17810 1709 1 9 . 1 1 5 5 LEU N N 5 126.980 126.980 125.487 1.493 17810 1710 1 9 . 1 1 5 5 LEU C C 5 174.800 174.800 174.598 0.202 17810 1711 1 9 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.662 0.308 17810 1712 1 9 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.270 -2.730 17810 1713 1 9 . 1 1 6 6 ILE N N 6 126.260 126.260 125.257 1.003 17810 1714 1 9 . 1 1 6 6 ILE C C 6 175.310 175.310 174.398 0.912 17810 1715 1 9 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.601 1.369 17810 1716 1 9 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.438 -0.588 17810 1717 1 9 . 1 1 7 7 LEU N N 7 127.080 127.080 128.051 -0.971 17810 1718 1 9 . 1 1 7 7 LEU C C 7 175.120 175.120 175.995 -0.875 17810 1719 1 9 . 1 1 7 7 LEU CA C 7 54.660 54.660 54.205 0.455 17810 1720 1 9 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.447 -0.547 17810 1721 1 9 . 1 1 8 8 ASN N N 8 125.110 125.110 122.168 2.942 17810 1722 1 9 . 1 1 8 8 ASN C C 8 176.430 176.430 174.722 1.708 17810 1723 1 9 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.862 -1.142 17810 1724 1 9 . 1 1 8 8 ASN CB C 8 38.370 38.370 38.146 0.224 17810 1725 1 9 . 1 1 9 9 GLY N N 9 109.620 109.620 108.398 1.222 17810 1726 1 9 . 1 1 9 9 GLY C C 9 173.220 173.220 174.409 -1.189 17810 1727 1 9 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.496 1.084 17810 1728 1 9 . 1 1 10 10 LYS N N 10 121.070 121.070 120.816 0.254 17810 1729 1 9 . 1 1 10 10 LYS C C 10 179.170 179.170 176.863 2.307 17810 1730 1 9 . 1 1 10 10 LYS CA C 10 59.270 59.270 59.049 0.221 17810 1731 1 9 . 1 1 10 10 LYS CB C 10 32.850 32.850 31.960 0.890 17810 1732 1 9 . 1 1 11 11 THR N N 11 106.400 106.400 108.410 -2.010 17810 1733 1 9 . 1 1 11 11 THR C C 11 173.420 173.420 174.067 -0.647 17810 1734 1 9 . 1 1 11 11 THR CA C 11 61.910 61.910 61.577 0.333 17810 1735 1 9 . 1 1 11 11 THR CB C 11 69.490 69.490 70.215 -0.725 17810 1736 1 9 . 1 1 12 12 LEU N N 12 127.760 127.760 122.843 4.917 17810 1737 1 9 . 1 1 12 12 LEU C C 12 173.850 173.850 174.309 -0.459 17810 1738 1 9 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.536 -0.106 17810 1739 1 9 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.091 -1.021 17810 1740 1 9 . 1 1 13 13 LYS N N 13 123.250 123.250 124.388 -1.138 17810 1741 1 9 . 1 1 13 13 LYS C C 13 175.830 175.830 175.856 -0.026 17810 1742 1 9 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.125 -1.785 17810 1743 1 9 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.371 2.459 17810 1744 1 9 . 1 1 14 14 GLY N N 14 105.610 105.610 111.586 -5.976 17810 1745 1 9 . 1 1 14 14 GLY C C 14 171.370 171.370 172.191 -0.821 17810 1746 1 9 . 1 1 14 14 GLY CA C 14 44.890 44.890 44.984 -0.094 17810 1747 1 9 . 1 1 15 15 GLU N N 15 121.070 121.070 120.960 0.110 17810 1748 1 9 . 1 1 15 15 GLU C C 15 174.110 174.110 174.922 -0.812 17810 1749 1 9 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.528 -1.638 17810 1750 1 9 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.401 -0.241 17810 1751 1 9 . 1 1 16 16 THR N N 16 115.180 115.180 116.692 -1.512 17810 1752 1 9 . 1 1 16 16 THR C C 16 172.040 172.040 172.302 -0.262 17810 1753 1 9 . 1 1 16 16 THR CA C 16 60.120 60.120 61.572 -1.452 17810 1754 1 9 . 1 1 16 16 THR CB C 16 70.510 70.510 70.782 -0.272 17810 1755 1 9 . 1 1 17 17 THR N N 17 116.050 116.050 118.954 -2.904 17810 1756 1 9 . 1 1 17 17 THR C C 17 174.250 174.250 173.197 1.053 17810 1757 1 9 . 1 1 17 17 THR CA C 17 60.320 60.320 60.889 -0.569 17810 1758 1 9 . 1 1 17 17 THR CB C 17 72.640 72.640 70.680 1.960 17810 1759 1 9 . 1 1 18 18 THR N N 18 116.260 116.260 120.680 -4.420 17810 1760 1 9 . 1 1 18 18 THR C C 18 171.270 171.270 172.055 -0.785 17810 1761 1 9 . 1 1 18 18 THR CA C 18 61.310 61.310 61.624 -0.314 17810 1762 1 9 . 1 1 18 18 THR CB C 18 70.840 70.840 70.306 0.534 17810 1763 1 9 . 1 1 19 19 GLU N N 19 125.350 125.350 125.534 -0.184 17810 1764 1 9 . 1 1 19 19 GLU C C 19 175.900 175.900 175.286 0.614 17810 1765 1 9 . 1 1 19 19 GLU CA C 19 54.330 54.330 54.961 -0.630 17810 1766 1 9 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.690 -1.130 17810 1767 1 9 . 1 1 20 20 ALA N N 20 125.880 125.880 128.708 -2.828 17810 1768 1 9 . 1 1 20 20 ALA C C 20 177.790 177.790 176.410 1.380 17810 1769 1 9 . 1 1 20 20 ALA CA C 20 50.690 50.690 51.260 -0.570 17810 1770 1 9 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.598 2.072 17810 1771 1 9 . 1 1 21 21 VAL N N 21 116.280 116.280 118.570 -2.290 17810 1772 1 9 . 1 1 21 21 VAL C C 21 175.100 175.100 174.671 0.429 17810 1773 1 9 . 1 1 21 21 VAL CA C 21 63.470 63.470 65.066 -1.596 17810 1774 1 9 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.016 -0.056 17810 1775 1 9 . 1 1 22 22 ASP N N 22 115.520 115.520 113.770 1.750 17810 1776 1 9 . 1 1 22 22 ASP C C 22 175.080 175.080 175.822 -0.742 17810 1777 1 9 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.923 -0.393 17810 1778 1 9 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.934 0.366 17810 1779 1 9 . 1 1 23 23 ALA N N 23 122.820 122.820 121.795 1.025 17810 1780 1 9 . 1 1 23 23 ALA C C 23 179.730 179.730 178.698 1.032 17810 1781 1 9 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.886 -0.336 17810 1782 1 9 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.339 -0.139 17810 1783 1 9 . 1 1 24 24 ALA N N 24 120.750 120.750 120.839 -0.089 17810 1784 1 9 . 1 1 24 24 ALA C C 24 181.530 181.530 179.354 2.176 17810 1785 1 9 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.681 -0.141 17810 1786 1 9 . 1 1 24 24 ALA CB C 24 18.200 18.200 17.948 0.253 17810 1787 1 9 . 1 1 25 25 THR N N 25 117.370 117.370 114.458 2.912 17810 1788 1 9 . 1 1 25 25 THR C C 25 175.920 175.920 176.052 -0.132 17810 1789 1 9 . 1 1 25 25 THR CA C 25 67.230 67.230 65.446 1.784 17810 1790 1 9 . 1 1 25 25 THR CB C 25 67.820 67.820 68.790 -0.970 17810 1791 1 9 . 1 1 26 26 ALA N N 26 123.990 123.990 124.282 -0.292 17810 1792 1 9 . 1 1 26 26 ALA C C 26 177.280 177.280 178.346 -1.066 17810 1793 1 9 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.668 0.352 17810 1794 1 9 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.353 0.197 17810 1795 1 9 . 1 1 27 27 GLU N N 27 116.350 116.350 116.959 -0.609 17810 1796 1 9 . 1 1 27 27 GLU C C 27 177.820 177.820 178.330 -0.510 17810 1797 1 9 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.046 0.044 17810 1798 1 9 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.876 0.184 17810 1799 1 9 . 1 1 28 28 LYS N N 28 117.380 117.380 118.990 -1.610 17810 1800 1 9 . 1 1 28 28 LYS C C 28 179.240 179.240 179.090 0.150 17810 1801 1 9 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.645 1.545 17810 1802 1 9 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.162 0.628 17810 1803 1 9 . 1 1 29 29 VAL N N 29 119.340 119.340 120.246 -0.906 17810 1804 1 9 . 1 1 29 29 VAL C C 29 178.980 178.980 177.859 1.121 17810 1805 1 9 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.132 0.178 17810 1806 1 9 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.187 0.733 17810 1807 1 9 . 1 1 30 30 PHE N N 30 118.680 118.680 118.884 -0.204 17810 1808 1 9 . 1 1 30 30 PHE C C 30 179.090 179.090 177.809 1.281 17810 1809 1 9 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.778 -4.238 17810 1810 1 9 . 1 1 30 30 PHE CB C 30 37.490 37.490 38.055 -0.565 17810 1811 1 9 . 1 1 31 31 LYS N N 31 120.760 120.760 119.328 1.432 17810 1812 1 9 . 1 1 31 31 LYS C C 31 179.570 179.570 178.594 0.976 17810 1813 1 9 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.647 0.463 17810 1814 1 9 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.547 0.063 17810 1815 1 9 . 1 1 32 32 GLN N N 32 121.290 121.290 120.023 1.267 17810 1816 1 9 . 1 1 32 32 GLN C C 32 177.580 177.580 177.992 -0.412 17810 1817 1 9 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.178 -0.258 17810 1818 1 9 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.607 0.363 17810 1819 1 9 . 1 1 33 33 TYR N N 33 120.990 120.990 121.245 -0.255 17810 1820 1 9 . 1 1 33 33 TYR C C 33 178.820 178.820 177.165 1.655 17810 1821 1 9 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.301 0.289 17810 1822 1 9 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.310 -1.330 17810 1823 1 9 . 1 1 34 34 ALA N N 34 122.680 122.680 119.836 2.844 17810 1824 1 9 . 1 1 34 34 ALA C C 34 179.620 179.620 179.180 0.440 17810 1825 1 9 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.229 0.841 17810 1826 1 9 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.792 -0.692 17810 1827 1 9 . 1 1 35 35 ASN N N 35 118.200 118.200 117.378 0.822 17810 1828 1 9 . 1 1 35 35 ASN C C 35 179.560 179.560 177.993 1.567 17810 1829 1 9 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.167 0.873 17810 1830 1 9 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.618 0.632 17810 1831 1 9 . 1 1 36 36 ASP N N 36 121.080 121.080 121.157 -0.077 17810 1832 1 9 . 1 1 36 36 ASP C C 36 176.180 176.180 176.826 -0.646 17810 1833 1 9 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.194 -0.284 17810 1834 1 9 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.266 -1.956 17810 1835 1 9 . 1 1 37 37 ASN N N 37 115.040 115.040 114.880 0.160 17810 1836 1 9 . 1 1 37 37 ASN C C 37 174.280 174.280 175.442 -1.162 17810 1837 1 9 . 1 1 37 37 ASN CA C 37 53.510 53.510 51.969 1.541 17810 1838 1 9 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.709 1.641 17810 1839 1 9 . 1 1 38 38 GLY N N 38 108.350 108.350 106.828 1.522 17810 1840 1 9 . 1 1 38 38 GLY C C 38 174.030 174.030 174.311 -0.281 17810 1841 1 9 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.222 1.578 17810 1842 1 9 . 1 1 39 39 VAL N N 39 121.790 121.790 121.492 0.298 17810 1843 1 9 . 1 1 39 39 VAL C C 39 175.200 175.200 174.321 0.879 17810 1844 1 9 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.509 -0.789 17810 1845 1 9 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.207 -0.267 17810 1846 1 9 . 1 1 40 40 ASP N N 40 131.050 131.050 126.440 4.610 17810 1847 1 9 . 1 1 40 40 ASP C C 40 174.890 174.890 175.079 -0.189 17810 1848 1 9 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.091 -0.321 17810 1849 1 9 . 1 1 40 40 ASP CB C 40 41.710 41.710 42.774 -1.064 17810 1850 1 9 . 1 1 41 41 GLY N N 41 108.100 108.100 109.870 -1.770 17810 1851 1 9 . 1 1 41 41 GLY C C 41 172.810 172.810 173.259 -0.449 17810 1852 1 9 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.700 0.399 17810 1853 1 9 . 1 1 42 42 GLU N N 42 119.020 119.020 120.945 -1.925 17810 1854 1 9 . 1 1 42 42 GLU C C 42 177.940 177.940 175.557 2.383 17810 1855 1 9 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.751 -0.651 17810 1856 1 9 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.077 -0.597 17810 1857 1 9 . 1 1 43 43 TRP N N 43 124.950 124.950 123.540 1.410 17810 1858 1 9 . 1 1 43 43 TRP C C 43 177.420 177.420 177.056 0.364 17810 1859 1 9 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.250 1.210 17810 1860 1 9 . 1 1 43 43 TRP CB C 43 33.810 33.810 31.951 1.859 17810 1861 1 9 . 1 1 44 44 THR N N 44 109.210 109.210 116.920 -7.710 17810 1862 1 9 . 1 1 44 44 THR C C 44 174.030 174.030 172.092 1.938 17810 1863 1 9 . 1 1 44 44 THR CA C 44 60.940 60.940 60.598 0.342 17810 1864 1 9 . 1 1 44 44 THR CB C 44 73.090 73.090 70.575 2.515 17810 1865 1 9 . 1 1 45 45 TYR N N 45 118.610 118.610 124.724 -6.114 17810 1866 1 9 . 1 1 45 45 TYR C C 45 171.910 171.910 173.503 -1.593 17810 1867 1 9 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.577 1.264 17810 1868 1 9 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.937 0.683 17810 1869 1 9 . 1 1 46 46 ASP N N 46 126.340 126.340 125.693 0.647 17810 1870 1 9 . 1 1 46 46 ASP C C 46 176.300 176.300 175.154 1.146 17810 1871 1 9 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.263 -0.373 17810 1872 1 9 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.111 -0.511 17810 1873 1 9 . 1 1 47 47 ASP N N 47 123.390 123.390 125.635 -2.245 17810 1874 1 9 . 1 1 47 47 ASP C C 47 177.510 177.510 176.719 0.791 17810 1875 1 9 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.030 -0.390 17810 1876 1 9 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.439 2.561 17810 1877 1 9 . 1 1 48 48 ALA N N 48 118.980 118.980 121.343 -2.363 17810 1878 1 9 . 1 1 48 48 ALA C C 48 179.700 179.700 178.511 1.189 17810 1879 1 9 . 1 1 48 48 ALA CA C 48 53.990 53.990 53.881 0.109 17810 1880 1 9 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.193 -0.193 17810 1881 1 9 . 1 1 49 49 THR N N 49 104.230 104.230 108.097 -3.867 17810 1882 1 9 . 1 1 49 49 THR C C 49 175.840 175.840 174.944 0.896 17810 1883 1 9 . 1 1 49 49 THR CA C 49 60.270 60.270 61.109 -0.839 17810 1884 1 9 . 1 1 49 49 THR CB C 49 69.900 69.900 70.302 -0.402 17810 1885 1 9 . 1 1 50 50 LYS N N 50 119.710 119.710 118.160 1.550 17810 1886 1 9 . 1 1 50 50 LYS C C 50 175.470 175.470 174.985 0.485 17810 1887 1 9 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.225 -1.635 17810 1888 1 9 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.368 -1.338 17810 1889 1 9 . 1 1 51 51 THR N N 51 112.000 112.000 114.173 -2.173 17810 1890 1 9 . 1 1 51 51 THR C C 51 174.440 174.440 173.317 1.123 17810 1891 1 9 . 1 1 51 51 THR CA C 51 62.470 62.470 62.119 0.351 17810 1892 1 9 . 1 1 51 51 THR CB C 51 71.710 71.710 71.231 0.479 17810 1893 1 9 . 1 1 52 52 PHE N N 52 130.280 130.280 126.610 3.670 17810 1894 1 9 . 1 1 52 52 PHE C C 52 175.810 175.810 175.168 0.642 17810 1895 1 9 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.746 -0.166 17810 1896 1 9 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.560 0.500 17810 1897 1 9 . 1 1 53 53 THR N N 53 112.210 112.210 114.489 -2.279 17810 1898 1 9 . 1 1 53 53 THR C C 53 172.250 172.250 172.478 -0.228 17810 1899 1 9 . 1 1 53 53 THR CA C 53 60.390 60.390 60.357 0.033 17810 1900 1 9 . 1 1 53 53 THR CB C 53 71.890 71.890 72.007 -0.117 17810 1901 1 9 . 1 1 54 54 VAL N N 54 118.430 118.430 123.099 -4.669 17810 1902 1 9 . 1 1 54 54 VAL C C 54 172.620 172.620 173.315 -0.695 17810 1903 1 9 . 1 1 54 54 VAL CA C 54 58.480 58.480 59.032 -0.552 17810 1904 1 9 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.587 -1.867 17810 1905 1 9 . 1 1 55 55 THR N N 55 124.100 124.100 124.489 -0.389 17810 1906 1 9 . 1 1 55 55 THR C C 55 174.170 174.170 173.656 0.514 17810 1907 1 9 . 1 1 55 55 THR CA C 55 61.320 61.320 61.345 -0.025 17810 1908 1 9 . 1 1 55 55 THR CB C 55 72.090 72.090 70.833 1.257 17810 1909 1 10 . 1 1 2 2 GLN N N 2 125.240 125.240 123.356 1.884 17810 1910 1 10 . 1 1 2 2 GLN C C 2 175.080 175.080 174.189 0.891 17810 1911 1 10 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.906 0.974 17810 1912 1 10 . 1 1 2 2 GLN CB C 2 30.450 30.450 30.524 -0.074 17810 1913 1 10 . 1 1 3 3 TYR N N 3 123.340 123.340 125.268 -1.928 17810 1914 1 10 . 1 1 3 3 TYR C C 3 174.980 174.980 174.897 0.083 17810 1915 1 10 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.447 0.563 17810 1916 1 10 . 1 1 3 3 TYR CB C 3 43.670 43.670 43.175 0.495 17810 1917 1 10 . 1 1 4 4 LYS N N 4 122.670 122.670 120.526 2.144 17810 1918 1 10 . 1 1 4 4 LYS C C 4 173.310 173.310 174.005 -0.695 17810 1919 1 10 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.858 0.023 17810 1920 1 10 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.362 -1.112 17810 1921 1 10 . 1 1 5 5 LEU N N 5 126.980 126.980 125.328 1.652 17810 1922 1 10 . 1 1 5 5 LEU C C 5 174.800 174.800 174.403 0.397 17810 1923 1 10 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.857 0.113 17810 1924 1 10 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.291 -2.751 17810 1925 1 10 . 1 1 6 6 ILE N N 6 126.260 126.260 126.682 -0.422 17810 1926 1 10 . 1 1 6 6 ILE C C 6 175.310 175.310 174.345 0.965 17810 1927 1 10 . 1 1 6 6 ILE CA C 6 59.970 59.970 59.046 0.924 17810 1928 1 10 . 1 1 6 6 ILE CB C 6 37.850 37.850 39.152 -1.302 17810 1929 1 10 . 1 1 7 7 LEU N N 7 127.080 127.080 126.674 0.406 17810 1930 1 10 . 1 1 7 7 LEU C C 7 175.120 175.120 175.705 -0.585 17810 1931 1 10 . 1 1 7 7 LEU CA C 7 54.660 54.660 52.508 2.152 17810 1932 1 10 . 1 1 7 7 LEU CB C 7 42.900 42.900 41.820 1.080 17810 1933 1 10 . 1 1 8 8 ASN N N 8 125.110 125.110 121.978 3.132 17810 1934 1 10 . 1 1 8 8 ASN C C 8 176.430 176.430 175.139 1.291 17810 1935 1 10 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.656 -0.936 17810 1936 1 10 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.219 -0.849 17810 1937 1 10 . 1 1 9 9 GLY N N 9 109.620 109.620 108.423 1.197 17810 1938 1 10 . 1 1 9 9 GLY C C 9 173.220 173.220 173.979 -0.759 17810 1939 1 10 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.937 0.644 17810 1940 1 10 . 1 1 10 10 LYS N N 10 121.070 121.070 121.489 -0.419 17810 1941 1 10 . 1 1 10 10 LYS C C 10 179.170 179.170 177.252 1.918 17810 1942 1 10 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.588 0.682 17810 1943 1 10 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.092 0.758 17810 1944 1 10 . 1 1 11 11 THR N N 11 106.400 106.400 109.195 -2.795 17810 1945 1 10 . 1 1 11 11 THR C C 11 173.420 173.420 174.414 -0.994 17810 1946 1 10 . 1 1 11 11 THR CA C 11 61.910 61.910 61.946 -0.036 17810 1947 1 10 . 1 1 11 11 THR CB C 11 69.490 69.490 70.558 -1.067 17810 1948 1 10 . 1 1 12 12 LEU N N 12 127.760 127.760 122.946 4.814 17810 1949 1 10 . 1 1 12 12 LEU C C 12 173.850 173.850 174.217 -0.367 17810 1950 1 10 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.599 -0.169 17810 1951 1 10 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.017 -0.947 17810 1952 1 10 . 1 1 13 13 LYS N N 13 123.250 123.250 124.710 -1.460 17810 1953 1 10 . 1 1 13 13 LYS C C 13 175.830 175.830 176.139 -0.309 17810 1954 1 10 . 1 1 13 13 LYS CA C 13 53.340 53.340 54.672 -1.332 17810 1955 1 10 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.417 2.413 17810 1956 1 10 . 1 1 14 14 GLY N N 14 105.610 105.610 112.243 -6.633 17810 1957 1 10 . 1 1 14 14 GLY C C 14 171.370 171.370 172.338 -0.968 17810 1958 1 10 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.057 -0.167 17810 1959 1 10 . 1 1 15 15 GLU N N 15 121.070 121.070 120.854 0.216 17810 1960 1 10 . 1 1 15 15 GLU C C 15 174.110 174.110 175.170 -1.060 17810 1961 1 10 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.607 -1.717 17810 1962 1 10 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.524 -0.364 17810 1963 1 10 . 1 1 16 16 THR N N 16 115.180 115.180 116.352 -1.172 17810 1964 1 10 . 1 1 16 16 THR C C 16 172.040 172.040 172.425 -0.385 17810 1965 1 10 . 1 1 16 16 THR CA C 16 60.120 60.120 61.854 -1.734 17810 1966 1 10 . 1 1 16 16 THR CB C 16 70.510 70.510 71.659 -1.149 17810 1967 1 10 . 1 1 17 17 THR N N 17 116.050 116.050 119.745 -3.695 17810 1968 1 10 . 1 1 17 17 THR C C 17 174.250 174.250 173.241 1.009 17810 1969 1 10 . 1 1 17 17 THR CA C 17 60.320 60.320 60.233 0.087 17810 1970 1 10 . 1 1 17 17 THR CB C 17 72.640 72.640 70.431 2.209 17810 1971 1 10 . 1 1 18 18 THR N N 18 116.260 116.260 119.808 -3.548 17810 1972 1 10 . 1 1 18 18 THR C C 18 171.270 171.270 172.153 -0.883 17810 1973 1 10 . 1 1 18 18 THR CA C 18 61.310 61.310 61.107 0.203 17810 1974 1 10 . 1 1 18 18 THR CB C 18 70.840 70.840 70.761 0.079 17810 1975 1 10 . 1 1 19 19 GLU N N 19 125.350 125.350 125.481 -0.131 17810 1976 1 10 . 1 1 19 19 GLU C C 19 175.900 175.900 175.279 0.621 17810 1977 1 10 . 1 1 19 19 GLU CA C 19 54.330 54.330 54.971 -0.641 17810 1978 1 10 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.563 -1.003 17810 1979 1 10 . 1 1 20 20 ALA N N 20 125.880 125.880 128.884 -3.004 17810 1980 1 10 . 1 1 20 20 ALA C C 20 177.790 177.790 176.038 1.752 17810 1981 1 10 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.702 -0.012 17810 1982 1 10 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.682 1.988 17810 1983 1 10 . 1 1 21 21 VAL N N 21 116.280 116.280 119.529 -3.249 17810 1984 1 10 . 1 1 21 21 VAL C C 21 175.100 175.100 175.338 -0.238 17810 1985 1 10 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.267 -0.797 17810 1986 1 10 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.421 -0.461 17810 1987 1 10 . 1 1 22 22 ASP N N 22 115.520 115.520 115.764 -0.244 17810 1988 1 10 . 1 1 22 22 ASP C C 22 175.080 175.080 175.661 -0.581 17810 1989 1 10 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.487 0.043 17810 1990 1 10 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.971 0.329 17810 1991 1 10 . 1 1 23 23 ALA N N 23 122.820 122.820 121.725 1.095 17810 1992 1 10 . 1 1 23 23 ALA C C 23 179.730 179.730 178.711 1.019 17810 1993 1 10 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.908 -0.358 17810 1994 1 10 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.339 -0.139 17810 1995 1 10 . 1 1 24 24 ALA N N 24 120.750 120.750 120.685 0.065 17810 1996 1 10 . 1 1 24 24 ALA C C 24 181.530 181.530 179.184 2.346 17810 1997 1 10 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.693 -0.153 17810 1998 1 10 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.065 0.135 17810 1999 1 10 . 1 1 25 25 THR N N 25 117.370 117.370 112.879 4.491 17810 2000 1 10 . 1 1 25 25 THR C C 25 175.920 175.920 175.991 -0.071 17810 2001 1 10 . 1 1 25 25 THR CA C 25 67.230 67.230 64.594 2.636 17810 2002 1 10 . 1 1 25 25 THR CB C 25 67.820 67.820 68.588 -0.768 17810 2003 1 10 . 1 1 26 26 ALA N N 26 123.990 123.990 124.718 -0.728 17810 2004 1 10 . 1 1 26 26 ALA C C 26 177.280 177.280 178.509 -1.229 17810 2005 1 10 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.648 0.372 17810 2006 1 10 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.407 0.143 17810 2007 1 10 . 1 1 27 27 GLU N N 27 116.350 116.350 117.010 -0.660 17810 2008 1 10 . 1 1 27 27 GLU C C 27 177.820 177.820 178.363 -0.543 17810 2009 1 10 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.056 0.034 17810 2010 1 10 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.849 0.211 17810 2011 1 10 . 1 1 28 28 LYS N N 28 117.380 117.380 119.055 -1.675 17810 2012 1 10 . 1 1 28 28 LYS C C 28 179.240 179.240 179.107 0.133 17810 2013 1 10 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.663 1.527 17810 2014 1 10 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.164 0.626 17810 2015 1 10 . 1 1 29 29 VAL N N 29 119.340 119.340 120.325 -0.985 17810 2016 1 10 . 1 1 29 29 VAL C C 29 178.980 178.980 177.858 1.122 17810 2017 1 10 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.177 0.133 17810 2018 1 10 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.197 0.723 17810 2019 1 10 . 1 1 30 30 PHE N N 30 118.680 118.680 118.909 -0.229 17810 2020 1 10 . 1 1 30 30 PHE C C 30 179.090 179.090 177.840 1.250 17810 2021 1 10 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.497 -3.957 17810 2022 1 10 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.976 -0.486 17810 2023 1 10 . 1 1 31 31 LYS N N 31 120.760 120.760 119.371 1.389 17810 2024 1 10 . 1 1 31 31 LYS C C 31 179.570 179.570 178.599 0.971 17810 2025 1 10 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.657 0.453 17810 2026 1 10 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.622 -0.012 17810 2027 1 10 . 1 1 32 32 GLN N N 32 121.290 121.290 119.974 1.316 17810 2028 1 10 . 1 1 32 32 GLN C C 32 177.580 177.580 177.800 -0.220 17810 2029 1 10 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.287 -0.367 17810 2030 1 10 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.546 0.424 17810 2031 1 10 . 1 1 33 33 TYR N N 33 120.990 120.990 121.244 -0.254 17810 2032 1 10 . 1 1 33 33 TYR C C 33 178.820 178.820 177.382 1.438 17810 2033 1 10 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.162 0.428 17810 2034 1 10 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.167 -1.187 17810 2035 1 10 . 1 1 34 34 ALA N N 34 122.680 122.680 120.824 1.856 17810 2036 1 10 . 1 1 34 34 ALA C C 34 179.620 179.620 179.605 0.015 17810 2037 1 10 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.084 0.986 17810 2038 1 10 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.298 -0.198 17810 2039 1 10 . 1 1 35 35 ASN N N 35 118.200 118.200 117.438 0.762 17810 2040 1 10 . 1 1 35 35 ASN C C 35 179.560 179.560 177.914 1.646 17810 2041 1 10 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.351 0.689 17810 2042 1 10 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.634 0.616 17810 2043 1 10 . 1 1 36 36 ASP N N 36 121.080 121.080 121.352 -0.272 17810 2044 1 10 . 1 1 36 36 ASP C C 36 176.180 176.180 177.415 -1.235 17810 2045 1 10 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.431 -0.521 17810 2046 1 10 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.390 -2.080 17810 2047 1 10 . 1 1 37 37 ASN N N 37 115.040 115.040 114.903 0.137 17810 2048 1 10 . 1 1 37 37 ASN C C 37 174.280 174.280 175.307 -1.027 17810 2049 1 10 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.300 1.210 17810 2050 1 10 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.304 2.046 17810 2051 1 10 . 1 1 38 38 GLY N N 38 108.350 108.350 108.396 -0.046 17810 2052 1 10 . 1 1 38 38 GLY C C 38 174.030 174.030 174.587 -0.557 17810 2053 1 10 . 1 1 38 38 GLY CA C 38 46.800 46.800 46.034 0.766 17810 2054 1 10 . 1 1 39 39 VAL N N 39 121.790 121.790 120.364 1.426 17810 2055 1 10 . 1 1 39 39 VAL C C 39 175.200 175.200 174.831 0.369 17810 2056 1 10 . 1 1 39 39 VAL CA C 39 61.720 61.720 61.274 0.446 17810 2057 1 10 . 1 1 39 39 VAL CB C 39 31.940 31.940 31.738 0.202 17810 2058 1 10 . 1 1 40 40 ASP N N 40 131.050 131.050 127.801 3.249 17810 2059 1 10 . 1 1 40 40 ASP C C 40 174.890 174.890 174.770 0.120 17810 2060 1 10 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.291 -0.521 17810 2061 1 10 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.008 -1.298 17810 2062 1 10 . 1 1 41 41 GLY N N 41 108.100 108.100 110.073 -1.973 17810 2063 1 10 . 1 1 41 41 GLY C C 41 172.810 172.810 173.132 -0.322 17810 2064 1 10 . 1 1 41 41 GLY CA C 41 45.100 45.100 45.060 0.040 17810 2065 1 10 . 1 1 42 42 GLU N N 42 119.020 119.020 120.508 -1.488 17810 2066 1 10 . 1 1 42 42 GLU C C 42 177.940 177.940 175.640 2.300 17810 2067 1 10 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.395 -0.295 17810 2068 1 10 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.174 -0.694 17810 2069 1 10 . 1 1 43 43 TRP N N 43 124.950 124.950 123.034 1.916 17810 2070 1 10 . 1 1 43 43 TRP C C 43 177.420 177.420 177.104 0.316 17810 2071 1 10 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.285 1.175 17810 2072 1 10 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.084 1.726 17810 2073 1 10 . 1 1 44 44 THR N N 44 109.210 109.210 116.358 -7.148 17810 2074 1 10 . 1 1 44 44 THR C C 44 174.030 174.030 172.180 1.850 17810 2075 1 10 . 1 1 44 44 THR CA C 44 60.940 60.940 60.813 0.127 17810 2076 1 10 . 1 1 44 44 THR CB C 44 73.090 73.090 70.358 2.732 17810 2077 1 10 . 1 1 45 45 TYR N N 45 118.610 118.610 124.266 -5.656 17810 2078 1 10 . 1 1 45 45 TYR C C 45 171.910 171.910 173.324 -1.414 17810 2079 1 10 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.836 1.004 17810 2080 1 10 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.881 0.739 17810 2081 1 10 . 1 1 46 46 ASP N N 46 126.340 126.340 126.129 0.211 17810 2082 1 10 . 1 1 46 46 ASP C C 46 176.300 176.300 174.398 1.902 17810 2083 1 10 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.805 -0.915 17810 2084 1 10 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.317 -0.717 17810 2085 1 10 . 1 1 47 47 ASP N N 47 123.390 123.390 127.005 -3.615 17810 2086 1 10 . 1 1 47 47 ASP C C 47 177.510 177.510 176.718 0.792 17810 2087 1 10 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.104 -0.464 17810 2088 1 10 . 1 1 47 47 ASP CB C 47 43.000 43.000 41.301 1.699 17810 2089 1 10 . 1 1 48 48 ALA N N 48 118.980 118.980 120.504 -1.524 17810 2090 1 10 . 1 1 48 48 ALA C C 48 179.700 179.700 178.668 1.032 17810 2091 1 10 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.007 -0.017 17810 2092 1 10 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.022 -0.022 17810 2093 1 10 . 1 1 49 49 THR N N 49 104.230 104.230 106.866 -2.636 17810 2094 1 10 . 1 1 49 49 THR C C 49 175.840 175.840 174.319 1.521 17810 2095 1 10 . 1 1 49 49 THR CA C 49 60.270 60.270 61.829 -1.559 17810 2096 1 10 . 1 1 49 49 THR CB C 49 69.900 69.900 70.593 -0.693 17810 2097 1 10 . 1 1 50 50 LYS N N 50 119.710 119.710 118.328 1.382 17810 2098 1 10 . 1 1 50 50 LYS C C 50 175.470 175.470 174.754 0.716 17810 2099 1 10 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.091 -1.501 17810 2100 1 10 . 1 1 50 50 LYS CB C 50 28.030 28.030 28.981 -0.951 17810 2101 1 10 . 1 1 51 51 THR N N 51 112.000 112.000 114.611 -2.611 17810 2102 1 10 . 1 1 51 51 THR C C 51 174.440 174.440 173.521 0.919 17810 2103 1 10 . 1 1 51 51 THR CA C 51 62.470 62.470 62.082 0.388 17810 2104 1 10 . 1 1 51 51 THR CB C 51 71.710 71.710 71.201 0.509 17810 2105 1 10 . 1 1 52 52 PHE N N 52 130.280 130.280 126.367 3.913 17810 2106 1 10 . 1 1 52 52 PHE C C 52 175.810 175.810 175.225 0.585 17810 2107 1 10 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.800 -0.219 17810 2108 1 10 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.938 0.122 17810 2109 1 10 . 1 1 53 53 THR N N 53 112.210 112.210 113.711 -1.501 17810 2110 1 10 . 1 1 53 53 THR C C 53 172.250 172.250 172.550 -0.300 17810 2111 1 10 . 1 1 53 53 THR CA C 53 60.390 60.390 60.444 -0.054 17810 2112 1 10 . 1 1 53 53 THR CB C 53 71.890 71.890 72.106 -0.216 17810 2113 1 10 . 1 1 54 54 VAL N N 54 118.430 118.430 122.733 -4.303 17810 2114 1 10 . 1 1 54 54 VAL C C 54 172.620 172.620 173.210 -0.590 17810 2115 1 10 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.796 -0.316 17810 2116 1 10 . 1 1 54 54 VAL CB C 54 32.720 32.720 33.746 -1.026 17810 2117 1 10 . 1 1 55 55 THR N N 55 124.100 124.100 123.972 0.128 17810 2118 1 10 . 1 1 55 55 THR C C 55 174.170 174.170 173.691 0.479 17810 2119 1 10 . 1 1 55 55 THR CA C 55 61.320 61.320 61.541 -0.221 17810 2120 1 10 . 1 1 55 55 THR CB C 55 72.090 72.090 71.057 1.033 17810 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 54 2.541 0.446 2.525 17810 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17810 3 1 1 "Average Difference" C 54 1.009 -0.251 0.986 17810 4 1 1 "Average Difference" CA 54 0.992 0.090 0.997 17810 5 1 1 "Average Difference" CB 50 1.178 -0.055 1.189 17810 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 17810 7 1 2 "Average Difference" N 54 2.893 0.544 2.868 17810 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17810 9 1 2 "Average Difference" C 54 1.017 -0.262 0.992 17810 10 1 2 "Average Difference" CA 54 1.059 0.039 1.069 17810 11 1 2 "Average Difference" CB 50 1.190 0.082 1.199 17810 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 17810 13 1 3 "Average Difference" N 54 2.469 0.350 2.467 17810 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17810 15 1 3 "Average Difference" C 54 1.072 -0.314 1.035 17810 16 1 3 "Average Difference" CA 54 1.057 0.049 1.066 17810 17 1 3 "Average Difference" CB 50 1.142 -0.008 1.153 17810 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 17810 19 1 4 "Average Difference" N 54 2.612 0.375 2.609 17810 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17810 21 1 4 "Average Difference" C 54 1.016 -0.285 0.984 17810 22 1 4 "Average Difference" CA 54 1.044 0.037 1.053 17810 23 1 4 "Average Difference" CB 50 1.249 -0.017 1.262 17810 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 17810 25 1 5 "Average Difference" N 54 2.532 0.291 2.539 17810 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17810 27 1 5 "Average Difference" C 54 1.035 -0.231 1.019 17810 28 1 5 "Average Difference" CA 54 1.057 0.056 1.066 17810 29 1 5 "Average Difference" CB 50 1.217 0.026 1.230 17810 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 17810 31 1 6 "Average Difference" N 54 2.617 0.498 2.593 17810 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17810 33 1 6 "Average Difference" C 54 1.044 -0.292 1.012 17810 34 1 6 "Average Difference" CA 54 1.022 0.061 1.029 17810 35 1 6 "Average Difference" CB 50 1.235 -0.016 1.247 17810 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 17810 37 1 7 "Average Difference" N 54 2.791 0.438 2.783 17810 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17810 39 1 7 "Average Difference" C 54 1.037 -0.248 1.016 17810 40 1 7 "Average Difference" CA 54 1.050 0.066 1.058 17810 41 1 7 "Average Difference" CB 50 1.203 0.075 1.212 17810 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 17810 43 1 8 "Average Difference" N 54 2.479 0.417 2.467 17810 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17810 45 1 8 "Average Difference" C 54 1.036 -0.295 1.003 17810 46 1 8 "Average Difference" CA 54 0.977 0.057 0.984 17810 47 1 8 "Average Difference" CB 50 1.131 -0.003 1.142 17810 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 17810 49 1 9 "Average Difference" N 54 2.598 0.407 2.590 17810 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17810 51 1 9 "Average Difference" C 54 1.029 -0.316 0.988 17810 52 1 9 "Average Difference" CA 54 1.031 0.051 1.039 17810 53 1 9 "Average Difference" CB 50 1.149 -0.066 1.159 17810 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 17810 55 1 10 "Average Difference" N 54 2.573 0.504 2.547 17810 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17810 57 1 10 "Average Difference" C 54 1.042 -0.304 1.006 17810 58 1 10 "Average Difference" CA 54 1.018 0.003 1.028 17810 59 1 10 "Average Difference" CB 50 1.144 -0.029 1.156 17810 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 17810 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 17810 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 125.240 125.240 122.907 2.333 17810 2 1 . 1 1 2 2 GLN C C 2 175.080 175.080 174.209 0.871 17810 3 1 . 1 1 2 2 GLN CA C 2 55.880 55.880 54.635 1.245 17810 4 1 . 1 1 2 2 GLN CB C 2 30.450 30.450 31.021 -0.571 17810 5 1 . 1 1 3 3 TYR N N 3 123.340 123.340 124.188 -0.848 17810 6 1 . 1 1 3 3 TYR C C 3 174.980 174.980 174.976 0.004 17810 7 1 . 1 1 3 3 TYR CA C 3 57.010 57.010 56.392 0.618 17810 8 1 . 1 1 3 3 TYR CB C 3 43.670 43.670 42.762 0.908 17810 9 1 . 1 1 4 4 LYS N N 4 122.670 122.670 120.684 1.985 17810 10 1 . 1 1 4 4 LYS C C 4 173.310 173.310 174.065 -0.755 17810 11 1 . 1 1 4 4 LYS CA C 4 54.880 54.880 54.755 0.125 17810 12 1 . 1 1 4 4 LYS CB C 4 36.250 36.250 37.295 -1.045 17810 13 1 . 1 1 5 5 LEU N N 5 126.980 126.980 125.832 1.148 17810 14 1 . 1 1 5 5 LEU C C 5 174.800 174.800 174.556 0.244 17810 15 1 . 1 1 5 5 LEU CA C 5 52.970 52.970 52.743 0.227 17810 16 1 . 1 1 5 5 LEU CB C 5 42.540 42.540 45.332 -2.792 17810 17 1 . 1 1 6 6 ILE N N 6 126.260 126.260 125.439 0.821 17810 18 1 . 1 1 6 6 ILE C C 6 175.310 175.310 174.399 0.911 17810 19 1 . 1 1 6 6 ILE CA C 6 59.970 59.970 58.609 1.361 17810 20 1 . 1 1 6 6 ILE CB C 6 37.850 37.850 38.616 -0.766 17810 21 1 . 1 1 7 7 LEU N N 7 127.080 127.080 127.684 -0.605 17810 22 1 . 1 1 7 7 LEU C C 7 175.120 175.120 175.815 -0.695 17810 23 1 . 1 1 7 7 LEU CA C 7 54.660 54.660 53.826 0.834 17810 24 1 . 1 1 7 7 LEU CB C 7 42.900 42.900 43.079 -0.179 17810 25 1 . 1 1 8 8 ASN N N 8 125.110 125.110 122.573 2.537 17810 26 1 . 1 1 8 8 ASN C C 8 176.430 176.430 174.780 1.650 17810 27 1 . 1 1 8 8 ASN CA C 8 50.720 50.720 51.760 -1.041 17810 28 1 . 1 1 8 8 ASN CB C 8 38.370 38.370 39.004 -0.634 17810 29 1 . 1 1 9 9 GLY N N 9 109.620 109.620 108.272 1.347 17810 30 1 . 1 1 9 9 GLY C C 9 173.220 173.220 174.359 -1.139 17810 31 1 . 1 1 9 9 GLY CA C 9 44.580 44.580 43.691 0.890 17810 32 1 . 1 1 10 10 LYS N N 10 121.070 121.070 121.641 -0.571 17810 33 1 . 1 1 10 10 LYS C C 10 179.170 179.170 177.371 1.799 17810 34 1 . 1 1 10 10 LYS CA C 10 59.270 59.270 58.814 0.456 17810 35 1 . 1 1 10 10 LYS CB C 10 32.850 32.850 32.317 0.532 17810 36 1 . 1 1 11 11 THR N N 11 106.400 106.400 109.878 -3.478 17810 37 1 . 1 1 11 11 THR C C 11 173.420 173.420 174.434 -1.014 17810 38 1 . 1 1 11 11 THR CA C 11 61.910 61.910 62.172 -0.262 17810 39 1 . 1 1 11 11 THR CB C 11 69.490 69.490 70.697 -1.207 17810 40 1 . 1 1 12 12 LEU N N 12 127.760 127.760 122.931 4.829 17810 41 1 . 1 1 12 12 LEU C C 12 173.850 173.850 174.165 -0.315 17810 42 1 . 1 1 12 12 LEU CA C 12 54.430 54.430 54.705 -0.275 17810 43 1 . 1 1 12 12 LEU CB C 12 43.070 43.070 44.025 -0.955 17810 44 1 . 1 1 13 13 LYS N N 13 123.250 123.250 124.318 -1.068 17810 45 1 . 1 1 13 13 LYS C C 13 175.830 175.830 175.873 -0.043 17810 46 1 . 1 1 13 13 LYS CA C 13 53.340 53.340 55.045 -1.705 17810 47 1 . 1 1 13 13 LYS CB C 13 38.830 38.830 36.118 2.712 17810 48 1 . 1 1 14 14 GLY N N 14 105.610 105.610 111.568 -5.958 17810 49 1 . 1 1 14 14 GLY C C 14 171.370 171.370 172.174 -0.804 17810 50 1 . 1 1 14 14 GLY CA C 14 44.890 44.890 45.053 -0.163 17810 51 1 . 1 1 15 15 GLU N N 15 121.070 121.070 120.600 0.470 17810 52 1 . 1 1 15 15 GLU C C 15 174.110 174.110 175.239 -1.129 17810 53 1 . 1 1 15 15 GLU CA C 15 53.890 53.890 55.328 -1.438 17810 54 1 . 1 1 15 15 GLU CB C 15 34.160 34.160 34.248 -0.088 17810 55 1 . 1 1 16 16 THR N N 16 115.180 115.180 116.332 -1.152 17810 56 1 . 1 1 16 16 THR C C 16 172.040 172.040 172.455 -0.415 17810 57 1 . 1 1 16 16 THR CA C 16 60.120 60.120 61.657 -1.537 17810 58 1 . 1 1 16 16 THR CB C 16 70.510 70.510 71.113 -0.603 17810 59 1 . 1 1 17 17 THR N N 17 116.050 116.050 118.027 -1.977 17810 60 1 . 1 1 17 17 THR C C 17 174.250 174.250 173.497 0.753 17810 61 1 . 1 1 17 17 THR CA C 17 60.320 60.320 60.540 -0.220 17810 62 1 . 1 1 17 17 THR CB C 17 72.640 72.640 71.062 1.578 17810 63 1 . 1 1 18 18 THR N N 18 116.260 116.260 118.775 -2.515 17810 64 1 . 1 1 18 18 THR C C 18 171.270 171.270 172.164 -0.894 17810 65 1 . 1 1 18 18 THR CA C 18 61.310 61.310 61.418 -0.108 17810 66 1 . 1 1 18 18 THR CB C 18 70.840 70.840 70.504 0.336 17810 67 1 . 1 1 19 19 GLU N N 19 125.350 125.350 125.563 -0.213 17810 68 1 . 1 1 19 19 GLU C C 19 175.900 175.900 175.240 0.660 17810 69 1 . 1 1 19 19 GLU CA C 19 54.330 54.330 55.154 -0.824 17810 70 1 . 1 1 19 19 GLU CB C 19 30.560 30.560 31.633 -1.073 17810 71 1 . 1 1 20 20 ALA N N 20 125.880 125.880 128.467 -2.587 17810 72 1 . 1 1 20 20 ALA C C 20 177.790 177.790 176.202 1.589 17810 73 1 . 1 1 20 20 ALA CA C 20 50.690 50.690 50.973 -0.283 17810 74 1 . 1 1 20 20 ALA CB C 20 23.670 23.670 21.629 2.041 17810 75 1 . 1 1 21 21 VAL N N 21 116.280 116.280 118.716 -2.436 17810 76 1 . 1 1 21 21 VAL C C 21 175.100 175.100 175.372 -0.272 17810 77 1 . 1 1 21 21 VAL CA C 21 63.470 63.470 64.692 -1.222 17810 78 1 . 1 1 21 21 VAL CB C 21 31.960 31.960 32.170 -0.210 17810 79 1 . 1 1 22 22 ASP N N 22 115.520 115.520 114.700 0.820 17810 80 1 . 1 1 22 22 ASP C C 22 175.080 175.080 175.917 -0.837 17810 81 1 . 1 1 22 22 ASP CA C 22 52.530 52.530 52.842 -0.312 17810 82 1 . 1 1 22 22 ASP CB C 22 42.300 42.300 41.844 0.456 17810 83 1 . 1 1 23 23 ALA N N 23 122.820 122.820 121.821 0.999 17810 84 1 . 1 1 23 23 ALA C C 23 179.730 179.730 178.728 1.002 17810 85 1 . 1 1 23 23 ALA CA C 23 54.550 54.550 54.911 -0.361 17810 86 1 . 1 1 23 23 ALA CB C 23 18.200 18.200 18.388 -0.188 17810 87 1 . 1 1 24 24 ALA N N 24 120.750 120.750 121.046 -0.296 17810 88 1 . 1 1 24 24 ALA C C 24 181.530 181.530 179.309 2.221 17810 89 1 . 1 1 24 24 ALA CA C 24 54.540 54.540 54.670 -0.130 17810 90 1 . 1 1 24 24 ALA CB C 24 18.200 18.200 18.044 0.157 17810 91 1 . 1 1 25 25 THR N N 25 117.370 117.370 113.170 4.200 17810 92 1 . 1 1 25 25 THR C C 25 175.920 175.920 176.042 -0.122 17810 93 1 . 1 1 25 25 THR CA C 25 67.230 67.230 65.110 2.120 17810 94 1 . 1 1 25 25 THR CB C 25 67.820 67.820 68.930 -1.110 17810 95 1 . 1 1 26 26 ALA N N 26 123.990 123.990 124.450 -0.460 17810 96 1 . 1 1 26 26 ALA C C 26 177.280 177.280 178.480 -1.200 17810 97 1 . 1 1 26 26 ALA CA C 26 55.020 55.020 54.657 0.363 17810 98 1 . 1 1 26 26 ALA CB C 26 17.550 17.550 17.418 0.132 17810 99 1 . 1 1 27 27 GLU N N 27 116.350 116.350 117.045 -0.695 17810 100 1 . 1 1 27 27 GLU C C 27 177.820 177.820 178.347 -0.527 17810 101 1 . 1 1 27 27 GLU CA C 27 59.090 59.090 59.116 -0.026 17810 102 1 . 1 1 27 27 GLU CB C 27 29.060 29.060 28.851 0.208 17810 103 1 . 1 1 28 28 LYS N N 28 117.380 117.380 119.204 -1.824 17810 104 1 . 1 1 28 28 LYS C C 28 179.240 179.240 179.083 0.157 17810 105 1 . 1 1 28 28 LYS CA C 28 60.190 60.190 58.706 1.484 17810 106 1 . 1 1 28 28 LYS CB C 28 32.790 32.790 32.156 0.634 17810 107 1 . 1 1 29 29 VAL N N 29 119.340 119.340 120.264 -0.924 17810 108 1 . 1 1 29 29 VAL C C 29 178.980 178.980 177.892 1.088 17810 109 1 . 1 1 29 29 VAL CA C 29 66.310 66.310 66.296 0.014 17810 110 1 . 1 1 29 29 VAL CB C 29 31.920 31.920 31.188 0.732 17810 111 1 . 1 1 30 30 PHE N N 30 118.680 118.680 119.008 -0.328 17810 112 1 . 1 1 30 30 PHE C C 30 179.090 179.090 177.796 1.294 17810 113 1 . 1 1 30 30 PHE CA C 30 57.540 57.540 61.775 -4.235 17810 114 1 . 1 1 30 30 PHE CB C 30 37.490 37.490 37.938 -0.448 17810 115 1 . 1 1 31 31 LYS N N 31 120.760 120.760 119.197 1.563 17810 116 1 . 1 1 31 31 LYS C C 31 179.570 179.570 178.617 0.953 17810 117 1 . 1 1 31 31 LYS CA C 31 60.110 60.110 59.734 0.376 17810 118 1 . 1 1 31 31 LYS CB C 31 31.610 31.610 31.592 0.018 17810 119 1 . 1 1 32 32 GLN N N 32 121.290 121.290 120.027 1.263 17810 120 1 . 1 1 32 32 GLN C C 32 177.580 177.580 177.913 -0.333 17810 121 1 . 1 1 32 32 GLN CA C 32 58.920 58.920 59.170 -0.250 17810 122 1 . 1 1 32 32 GLN CB C 32 28.970 28.970 28.537 0.433 17810 123 1 . 1 1 33 33 TYR N N 33 120.990 120.990 121.271 -0.281 17810 124 1 . 1 1 33 33 TYR C C 33 178.820 178.820 177.268 1.552 17810 125 1 . 1 1 33 33 TYR CA C 33 61.590 61.590 61.309 0.281 17810 126 1 . 1 1 33 33 TYR CB C 33 36.980 36.980 38.280 -1.300 17810 127 1 . 1 1 34 34 ALA N N 34 122.680 122.680 120.354 2.326 17810 128 1 . 1 1 34 34 ALA C C 34 179.620 179.620 179.530 0.090 17810 129 1 . 1 1 34 34 ALA CA C 34 56.070 56.070 55.093 0.977 17810 130 1 . 1 1 34 34 ALA CB C 34 18.100 18.100 18.491 -0.391 17810 131 1 . 1 1 35 35 ASN N N 35 118.200 118.200 117.567 0.633 17810 132 1 . 1 1 35 35 ASN C C 35 179.560 179.560 177.992 1.568 17810 133 1 . 1 1 35 35 ASN CA C 35 57.040 57.040 56.097 0.943 17810 134 1 . 1 1 35 35 ASN CB C 35 39.250 39.250 38.664 0.586 17810 135 1 . 1 1 36 36 ASP N N 36 121.080 121.080 121.054 0.027 17810 136 1 . 1 1 36 36 ASP C C 36 176.180 176.180 177.128 -0.948 17810 137 1 . 1 1 36 36 ASP CA C 36 55.910 55.910 56.358 -0.448 17810 138 1 . 1 1 36 36 ASP CB C 36 38.310 38.310 40.292 -1.982 17810 139 1 . 1 1 37 37 ASN N N 37 115.040 115.040 115.121 -0.081 17810 140 1 . 1 1 37 37 ASN C C 37 174.280 174.280 175.353 -1.073 17810 141 1 . 1 1 37 37 ASN CA C 37 53.510 53.510 52.249 1.261 17810 142 1 . 1 1 37 37 ASN CB C 37 40.350 40.350 38.431 1.919 17810 143 1 . 1 1 38 38 GLY N N 38 108.350 108.350 107.762 0.588 17810 144 1 . 1 1 38 38 GLY C C 38 174.030 174.030 174.377 -0.347 17810 145 1 . 1 1 38 38 GLY CA C 38 46.800 46.800 45.822 0.978 17810 146 1 . 1 1 39 39 VAL N N 39 121.790 121.790 120.477 1.313 17810 147 1 . 1 1 39 39 VAL C C 39 175.200 175.200 174.620 0.580 17810 148 1 . 1 1 39 39 VAL CA C 39 61.720 61.720 62.154 -0.434 17810 149 1 . 1 1 39 39 VAL CB C 39 31.940 31.940 32.295 -0.355 17810 150 1 . 1 1 40 40 ASP N N 40 131.050 131.050 127.153 3.897 17810 151 1 . 1 1 40 40 ASP C C 40 174.890 174.890 174.873 0.017 17810 152 1 . 1 1 40 40 ASP CA C 40 52.770 52.770 53.093 -0.323 17810 153 1 . 1 1 40 40 ASP CB C 40 41.710 41.710 43.222 -1.512 17810 154 1 . 1 1 41 41 GLY N N 41 108.100 108.100 110.053 -1.953 17810 155 1 . 1 1 41 41 GLY C C 41 172.810 172.810 173.152 -0.342 17810 156 1 . 1 1 41 41 GLY CA C 41 45.100 45.100 44.906 0.194 17810 157 1 . 1 1 42 42 GLU N N 42 119.020 119.020 120.747 -1.727 17810 158 1 . 1 1 42 42 GLU C C 42 177.940 177.940 175.661 2.279 17810 159 1 . 1 1 42 42 GLU CA C 42 55.100 55.100 55.498 -0.398 17810 160 1 . 1 1 42 42 GLU CB C 42 31.480 31.480 32.047 -0.567 17810 161 1 . 1 1 43 43 TRP N N 43 124.950 124.950 123.234 1.716 17810 162 1 . 1 1 43 43 TRP C C 43 177.420 177.420 177.110 0.310 17810 163 1 . 1 1 43 43 TRP CA C 43 57.460 57.460 56.280 1.180 17810 164 1 . 1 1 43 43 TRP CB C 43 33.810 33.810 32.140 1.670 17810 165 1 . 1 1 44 44 THR N N 44 109.210 109.210 116.771 -7.561 17810 166 1 . 1 1 44 44 THR C C 44 174.030 174.030 172.181 1.849 17810 167 1 . 1 1 44 44 THR CA C 44 60.940 60.940 60.727 0.213 17810 168 1 . 1 1 44 44 THR CB C 44 73.090 73.090 70.613 2.477 17810 169 1 . 1 1 45 45 TYR N N 45 118.610 118.610 124.461 -5.851 17810 170 1 . 1 1 45 45 TYR C C 45 171.910 171.910 173.405 -1.495 17810 171 1 . 1 1 45 45 TYR CA C 45 57.840 57.840 56.717 1.123 17810 172 1 . 1 1 45 45 TYR CB C 45 42.620 42.620 41.871 0.749 17810 173 1 . 1 1 46 46 ASP N N 46 126.340 126.340 126.064 0.276 17810 174 1 . 1 1 46 46 ASP C C 46 176.300 176.300 174.865 1.435 17810 175 1 . 1 1 46 46 ASP CA C 46 50.890 50.890 51.481 -0.591 17810 176 1 . 1 1 46 46 ASP CB C 46 42.600 42.600 43.139 -0.539 17810 177 1 . 1 1 47 47 ASP N N 47 123.390 123.390 126.367 -2.977 17810 178 1 . 1 1 47 47 ASP C C 47 177.510 177.510 176.784 0.726 17810 179 1 . 1 1 47 47 ASP CA C 47 54.640 54.640 55.096 -0.456 17810 180 1 . 1 1 47 47 ASP CB C 47 43.000 43.000 40.741 2.259 17810 181 1 . 1 1 48 48 ALA N N 48 118.980 118.980 121.162 -2.182 17810 182 1 . 1 1 48 48 ALA C C 48 179.700 179.700 178.496 1.204 17810 183 1 . 1 1 48 48 ALA CA C 48 53.990 53.990 54.022 -0.032 17810 184 1 . 1 1 48 48 ALA CB C 48 19.000 19.000 19.090 -0.090 17810 185 1 . 1 1 49 49 THR N N 49 104.230 104.230 107.911 -3.681 17810 186 1 . 1 1 49 49 THR C C 49 175.840 175.840 174.701 1.139 17810 187 1 . 1 1 49 49 THR CA C 49 60.270 60.270 61.443 -1.174 17810 188 1 . 1 1 49 49 THR CB C 49 69.900 69.900 70.472 -0.572 17810 189 1 . 1 1 50 50 LYS N N 50 119.710 119.710 118.014 1.696 17810 190 1 . 1 1 50 50 LYS C C 50 175.470 175.470 174.866 0.604 17810 191 1 . 1 1 50 50 LYS CA C 50 55.590 55.590 57.173 -1.583 17810 192 1 . 1 1 50 50 LYS CB C 50 28.030 28.030 29.148 -1.118 17810 193 1 . 1 1 51 51 THR N N 51 112.000 112.000 114.581 -2.581 17810 194 1 . 1 1 51 51 THR C C 51 174.440 174.440 173.459 0.981 17810 195 1 . 1 1 51 51 THR CA C 51 62.470 62.470 62.131 0.339 17810 196 1 . 1 1 51 51 THR CB C 51 71.710 71.710 71.190 0.520 17810 197 1 . 1 1 52 52 PHE N N 52 130.280 130.280 126.470 3.810 17810 198 1 . 1 1 52 52 PHE C C 52 175.810 175.810 175.219 0.591 17810 199 1 . 1 1 52 52 PHE CA C 52 56.580 56.580 56.667 -0.087 17810 200 1 . 1 1 52 52 PHE CB C 52 43.060 43.060 42.842 0.218 17810 201 1 . 1 1 53 53 THR N N 53 112.210 112.210 113.816 -1.605 17810 202 1 . 1 1 53 53 THR C C 53 172.250 172.250 172.511 -0.261 17810 203 1 . 1 1 53 53 THR CA C 53 60.390 60.390 60.364 0.026 17810 204 1 . 1 1 53 53 THR CB C 53 71.890 71.890 72.133 -0.243 17810 205 1 . 1 1 54 54 VAL N N 54 118.430 118.430 123.203 -4.773 17810 206 1 . 1 1 54 54 VAL C C 54 172.620 172.620 173.252 -0.632 17810 207 1 . 1 1 54 54 VAL CA C 54 58.480 58.480 58.985 -0.505 17810 208 1 . 1 1 54 54 VAL CB C 54 32.720 32.720 34.551 -1.831 17810 209 1 . 1 1 55 55 THR N N 55 124.100 124.100 124.566 -0.466 17810 210 1 . 1 1 55 55 THR C C 55 174.170 174.170 173.591 0.579 17810 211 1 . 1 1 55 55 THR CA C 55 61.320 61.320 61.265 0.054 17810 212 1 . 1 1 55 55 THR CB C 55 72.090 72.090 70.943 1.147 17810 stop_ save_