data_18770 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18770 _Entry.PDB_ID 2LZR 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 18770 _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 3 3 GLY N N 3 108.610 108.610 109.110 -0.500 18770 2 1 1 . 1 1 3 3 GLY C C 3 173.770 173.770 174.610 -0.840 18770 3 1 1 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.754 0.506 18770 4 1 1 . 1 1 3 3 GLY H H 3 8.380 8.380 7.933 0.447 18770 5 1 1 . 1 1 4 4 ILE N N 4 120.930 120.930 119.271 1.659 18770 6 1 1 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.006 0.384 18770 7 1 1 . 1 1 4 4 ILE C C 4 175.060 175.060 176.225 -1.165 18770 8 1 1 . 1 1 4 4 ILE CA C 4 60.630 60.630 61.733 -1.103 18770 9 1 1 . 1 1 4 4 ILE H H 4 7.660 7.660 8.079 -0.419 18770 10 1 1 . 1 1 5 5 SER N N 5 121.380 121.380 116.189 5.191 18770 11 1 1 . 1 1 5 5 SER HA H 5 4.720 4.720 4.427 0.293 18770 12 1 1 . 1 1 5 5 SER C C 5 175.650 175.650 175.862 -0.212 18770 13 1 1 . 1 1 5 5 SER CA C 5 57.380 57.380 58.031 -0.651 18770 14 1 1 . 1 1 5 5 SER H H 5 8.210 8.210 7.655 0.555 18770 15 1 1 . 1 1 6 6 ILE N N 6 123.490 123.490 128.080 -4.590 18770 16 1 1 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.933 -0.123 18770 17 1 1 . 1 1 6 6 ILE C C 6 176.630 176.630 177.218 -0.588 18770 18 1 1 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.974 0.076 18770 19 1 1 . 1 1 6 6 ILE H H 6 9.140 9.140 8.723 0.417 18770 20 1 1 . 1 1 7 7 TRP N N 7 119.410 119.410 119.861 -0.451 18770 21 1 1 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.236 0.184 18770 22 1 1 . 1 1 7 7 TRP C C 7 177.700 177.700 178.050 -0.350 18770 23 1 1 . 1 1 7 7 TRP CA C 7 59.660 59.660 61.837 -2.177 18770 24 1 1 . 1 1 7 7 TRP H H 7 7.580 7.580 8.167 -0.587 18770 25 1 1 . 1 1 8 8 GLN N N 8 118.180 118.180 118.430 -0.250 18770 26 1 1 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.133 -0.373 18770 27 1 1 . 1 1 8 8 GLN C C 8 177.770 177.770 178.277 -0.507 18770 28 1 1 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.872 0.628 18770 29 1 1 . 1 1 8 8 GLN H H 8 7.210 7.210 7.827 -0.617 18770 30 1 1 . 1 1 9 9 LEU N N 9 118.440 118.440 119.766 -1.326 18770 31 1 1 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.042 -0.102 18770 32 1 1 . 1 1 9 9 LEU C C 9 178.140 178.140 178.793 -0.653 18770 33 1 1 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.269 0.811 18770 34 1 1 . 1 1 9 9 LEU H H 9 7.740 7.740 7.598 0.142 18770 35 1 1 . 1 1 10 10 LEU N N 10 118.570 118.570 120.899 -2.329 18770 36 1 1 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.829 0.171 18770 37 1 1 . 1 1 10 10 LEU C C 10 177.920 177.920 178.727 -0.807 18770 38 1 1 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.209 0.011 18770 39 1 1 . 1 1 10 10 LEU H H 10 8.240 8.240 7.797 0.443 18770 40 1 1 . 1 1 11 11 ILE N N 11 118.100 118.100 119.547 -1.447 18770 41 1 1 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.615 0.105 18770 42 1 1 . 1 1 11 11 ILE C C 11 177.290 177.290 177.588 -0.298 18770 43 1 1 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.050 0.390 18770 44 1 1 . 1 1 11 11 ILE H H 11 7.750 7.750 7.759 -0.009 18770 45 1 1 . 1 1 12 12 ILE N N 12 119.200 119.200 119.925 -0.725 18770 46 1 1 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.584 0.006 18770 47 1 1 . 1 1 12 12 ILE C C 12 176.920 176.920 177.563 -0.643 18770 48 1 1 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.408 0.262 18770 49 1 1 . 1 1 12 12 ILE H H 12 7.780 7.780 7.610 0.170 18770 50 1 1 . 1 1 13 13 ALA N N 13 121.380 121.380 122.410 -1.030 18770 51 1 1 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.001 -0.131 18770 52 1 1 . 1 1 13 13 ALA C C 13 178.600 178.600 179.533 -0.933 18770 53 1 1 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.336 0.624 18770 54 1 1 . 1 1 13 13 ALA CB C 13 18.640 18.640 17.969 0.671 18770 55 1 1 . 1 1 13 13 ALA H H 13 8.430 8.430 8.260 0.170 18770 56 1 1 . 1 1 14 14 VAL N N 14 116.960 116.960 119.273 -2.313 18770 57 1 1 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.523 -0.043 18770 58 1 1 . 1 1 14 14 VAL C C 14 177.270 177.270 177.939 -0.669 18770 59 1 1 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.747 0.783 18770 60 1 1 . 1 1 14 14 VAL H H 14 8.240 8.240 7.569 0.671 18770 61 1 1 . 1 1 15 15 ILE N N 15 119.670 119.670 120.145 -0.475 18770 62 1 1 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.614 -0.034 18770 63 1 1 . 1 1 15 15 ILE C C 15 177.460 177.460 177.857 -0.397 18770 64 1 1 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.790 0.631 18770 65 1 1 . 1 1 15 15 ILE H H 15 8.110 8.110 7.553 0.557 18770 66 1 1 . 1 1 16 16 VAL N N 16 118.470 118.470 119.997 -1.527 18770 67 1 1 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.714 0.006 18770 68 1 1 . 1 1 16 16 VAL C C 16 178.120 178.120 178.209 -0.089 18770 69 1 1 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.235 0.595 18770 70 1 1 . 1 1 16 16 VAL H H 16 8.510 8.510 7.745 0.765 18770 71 1 1 . 1 1 17 17 VAL N N 17 120.380 120.380 119.327 1.053 18770 72 1 1 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.727 -0.157 18770 73 1 1 . 1 1 17 17 VAL C C 17 178.080 178.080 178.516 -0.436 18770 74 1 1 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.560 0.970 18770 75 1 1 . 1 1 17 17 VAL H H 17 8.380 8.380 7.734 0.646 18770 76 1 1 . 1 1 18 18 LEU N N 18 120.340 120.340 119.559 0.781 18770 77 1 1 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.949 0.091 18770 78 1 1 . 1 1 18 18 LEU C C 18 177.820 177.820 178.833 -1.013 18770 79 1 1 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.923 0.067 18770 80 1 1 . 1 1 18 18 LEU H H 18 8.360 8.360 7.954 0.406 18770 81 1 1 . 1 1 19 19 LEU N N 19 116.040 116.040 116.653 -0.613 18770 82 1 1 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.986 0.064 18770 83 1 1 . 1 1 19 19 LEU C C 19 178.250 178.250 178.419 -0.169 18770 84 1 1 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.265 0.005 18770 85 1 1 . 1 1 19 19 LEU H H 19 8.190 8.190 7.937 0.253 18770 86 1 1 . 1 1 20 20 PHE N N 20 114.310 114.310 114.673 -0.363 18770 87 1 1 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.483 -0.473 18770 88 1 1 . 1 1 20 20 PHE C C 20 177.000 177.000 175.538 1.462 18770 89 1 1 . 1 1 20 20 PHE CA C 20 59.230 59.230 58.852 0.378 18770 90 1 1 . 1 1 20 20 PHE H H 20 8.280 8.280 8.030 0.250 18770 91 1 1 . 1 1 21 21 GLY N N 21 109.420 109.420 107.552 1.868 18770 92 1 1 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.708 1.722 18770 93 1 1 . 1 1 21 21 GLY H H 21 8.210 8.210 7.939 0.271 18770 94 1 1 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.352 -0.032 18770 95 1 1 . 1 1 22 22 PRO C C 22 177.640 177.640 178.518 -0.878 18770 96 1 1 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.537 0.463 18770 97 1 1 . 1 1 23 23 LYS N N 23 118.970 118.970 119.789 -0.819 18770 98 1 1 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.078 0.092 18770 99 1 1 . 1 1 23 23 LYS C C 23 178.650 178.650 178.759 -0.109 18770 100 1 1 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.535 -0.385 18770 101 1 1 . 1 1 23 23 LYS H H 23 8.450 8.450 8.292 0.158 18770 102 1 1 . 1 1 24 24 LYS N N 24 119.990 119.990 119.318 0.672 18770 103 1 1 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.150 0.180 18770 104 1 1 . 1 1 24 24 LYS C C 24 177.950 177.950 179.068 -1.118 18770 105 1 1 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.525 -1.335 18770 106 1 1 . 1 1 24 24 LYS H H 24 8.160 8.160 7.701 0.459 18770 107 1 1 . 1 1 25 25 LEU N N 25 119.390 119.390 120.201 -0.811 18770 108 1 1 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.053 0.077 18770 109 1 1 . 1 1 25 25 LEU C C 25 177.980 177.980 178.642 -0.662 18770 110 1 1 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.747 -0.617 18770 111 1 1 . 1 1 25 25 LEU H H 25 7.850 7.850 7.701 0.149 18770 112 1 1 . 1 1 26 26 GLY N N 26 105.890 105.890 106.869 -0.979 18770 113 1 1 . 1 1 26 26 GLY C C 26 175.110 175.110 175.991 -0.881 18770 114 1 1 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.503 -0.713 18770 115 1 1 . 1 1 26 26 GLY H H 26 8.280 8.280 8.081 0.199 18770 116 1 1 . 1 1 27 27 SER N N 27 117.000 117.000 118.407 -1.407 18770 117 1 1 . 1 1 27 27 SER HA H 27 4.440 4.440 4.195 0.245 18770 118 1 1 . 1 1 27 27 SER C C 27 175.750 175.750 176.886 -1.136 18770 119 1 1 . 1 1 27 27 SER CA C 27 60.190 60.190 61.829 -1.639 18770 120 1 1 . 1 1 27 27 SER H H 27 8.020 8.020 7.691 0.329 18770 121 1 1 . 1 1 28 28 ILE N N 28 121.650 121.650 123.056 -1.406 18770 122 1 1 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.758 0.332 18770 123 1 1 . 1 1 28 28 ILE C C 28 177.040 177.040 177.942 -0.902 18770 124 1 1 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.266 -1.606 18770 125 1 1 . 1 1 28 28 ILE H H 28 7.870 7.870 8.467 -0.597 18770 126 1 1 . 1 1 29 29 GLY N N 29 108.410 108.410 107.513 0.897 18770 127 1 1 . 1 1 29 29 GLY C C 29 174.580 174.580 176.007 -1.427 18770 128 1 1 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.138 -0.458 18770 129 1 1 . 1 1 29 29 GLY H H 29 8.370 8.370 8.339 0.031 18770 130 1 1 . 1 1 30 30 SER N N 30 116.090 116.090 116.290 -0.200 18770 131 1 1 . 1 1 30 30 SER HA H 30 4.320 4.320 4.076 0.244 18770 132 1 1 . 1 1 30 30 SER C C 30 175.830 175.830 175.713 0.117 18770 133 1 1 . 1 1 30 30 SER CA C 30 60.770 60.770 61.141 -0.371 18770 134 1 1 . 1 1 30 30 SER H H 30 8.060 8.060 8.184 -0.124 18770 135 1 1 . 1 1 31 31 ASP N N 31 122.820 122.820 121.134 1.686 18770 136 1 1 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.434 0.186 18770 137 1 1 . 1 1 31 31 ASP C C 31 177.690 177.690 179.208 -1.518 18770 138 1 1 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.758 -1.048 18770 139 1 1 . 1 1 31 31 ASP H H 31 8.240 8.240 8.033 0.207 18770 140 1 1 . 1 1 32 32 LEU N N 32 123.090 123.090 119.116 3.974 18770 141 1 1 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.316 -0.126 18770 142 1 1 . 1 1 32 32 LEU C C 32 178.580 178.580 179.142 -0.562 18770 143 1 1 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.094 1.416 18770 144 1 1 . 1 1 32 32 LEU H H 32 8.390 8.390 8.195 0.195 18770 145 1 1 . 1 1 33 33 GLY N N 33 107.330 107.330 105.992 1.338 18770 146 1 1 . 1 1 33 33 GLY C C 33 175.560 175.560 174.343 1.217 18770 147 1 1 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.452 1.778 18770 148 1 1 . 1 1 33 33 GLY H H 33 8.560 8.560 8.616 -0.056 18770 149 1 1 . 1 1 34 34 ALA N N 34 123.920 123.920 124.366 -0.446 18770 150 1 1 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.093 0.117 18770 151 1 1 . 1 1 34 34 ALA C C 34 180.040 180.040 178.797 1.243 18770 152 1 1 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.737 -0.037 18770 153 1 1 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.781 0.509 18770 154 1 1 . 1 1 34 34 ALA H H 34 8.090 8.090 7.405 0.685 18770 155 1 1 . 1 1 35 35 SER N N 35 116.060 116.060 114.554 1.506 18770 156 1 1 . 1 1 35 35 SER HA H 35 4.400 4.400 4.242 0.158 18770 157 1 1 . 1 1 35 35 SER C C 35 175.630 175.630 176.630 -1.000 18770 158 1 1 . 1 1 35 35 SER CA C 35 61.660 61.660 61.179 0.481 18770 159 1 1 . 1 1 35 35 SER H H 35 8.040 8.040 7.628 0.412 18770 160 1 1 . 1 1 36 36 ILE N N 36 122.330 122.330 122.992 -0.662 18770 161 1 1 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.523 0.357 18770 162 1 1 . 1 1 36 36 ILE C C 36 177.330 177.330 177.520 -0.190 18770 163 1 1 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.692 -0.172 18770 164 1 1 . 1 1 36 36 ILE H H 36 8.280 8.280 7.832 0.448 18770 165 1 1 . 1 1 37 37 LYS N N 37 121.050 121.050 120.412 0.638 18770 166 1 1 . 1 1 37 37 LYS HA H 37 4.040 4.040 4.012 0.028 18770 167 1 1 . 1 1 37 37 LYS C C 37 178.950 178.950 178.923 0.027 18770 168 1 1 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.315 -0.585 18770 169 1 1 . 1 1 37 37 LYS H H 37 8.130 8.130 7.877 0.253 18770 170 1 1 . 1 1 38 38 GLY N N 38 107.750 107.750 106.802 0.948 18770 171 1 1 . 1 1 38 38 GLY C C 38 175.870 175.870 176.559 -0.689 18770 172 1 1 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.289 -0.659 18770 173 1 1 . 1 1 38 38 GLY H H 38 8.210 8.210 7.787 0.423 18770 174 1 1 . 1 1 39 39 PHE N N 39 123.190 123.190 122.691 0.499 18770 175 1 1 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.232 0.188 18770 176 1 1 . 1 1 39 39 PHE C C 39 176.510 176.510 177.520 -1.010 18770 177 1 1 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.565 -0.235 18770 178 1 1 . 1 1 39 39 PHE H H 39 8.130 8.130 7.599 0.531 18770 179 1 1 . 1 1 40 40 LYS N N 40 119.830 119.830 119.744 0.086 18770 180 1 1 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.942 0.018 18770 181 1 1 . 1 1 40 40 LYS C C 40 178.330 178.330 178.247 0.083 18770 182 1 1 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.585 -0.375 18770 183 1 1 . 1 1 40 40 LYS H H 40 8.260 8.260 8.076 0.184 18770 184 1 1 . 1 1 41 41 LYS N N 41 121.010 121.010 118.040 2.970 18770 185 1 1 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.070 0.070 18770 186 1 1 . 1 1 41 41 LYS C C 41 177.790 177.790 179.339 -1.549 18770 187 1 1 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.103 -0.723 18770 188 1 1 . 1 1 41 41 LYS H H 41 8.040 8.040 7.862 0.178 18770 189 1 1 . 1 1 42 42 ALA N N 42 122.920 122.920 122.169 0.751 18770 190 1 1 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.024 0.226 18770 191 1 1 . 1 1 42 42 ALA C C 42 178.430 178.430 179.672 -1.242 18770 192 1 1 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.890 -0.990 18770 193 1 1 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.457 1.033 18770 194 1 1 . 1 1 42 42 ALA H H 42 7.950 7.950 8.304 -0.354 18770 195 1 1 . 1 1 43 43 MET N N 43 116.170 116.170 115.241 0.929 18770 196 1 1 . 1 1 43 43 MET HA H 43 4.450 4.450 4.257 0.193 18770 197 1 1 . 1 1 43 43 MET C C 43 176.270 176.270 176.529 -0.259 18770 198 1 1 . 1 1 43 43 MET CA C 43 55.630 55.630 56.670 -1.040 18770 199 1 1 . 1 1 43 43 MET H H 43 7.790 7.790 7.925 -0.135 18770 200 1 1 . 1 1 44 44 SER N N 44 115.560 115.560 114.455 1.105 18770 201 1 1 . 1 1 44 44 SER HA H 44 4.490 4.490 4.251 0.239 18770 202 1 1 . 1 1 44 44 SER C C 44 173.990 173.990 176.000 -2.010 18770 203 1 1 . 1 1 44 44 SER CA C 44 58.750 58.750 60.364 -1.614 18770 204 1 1 . 1 1 44 44 SER H H 44 7.850 7.850 7.915 -0.065 18770 205 1 1 . 1 1 45 45 ASP N N 45 123.440 123.440 121.138 2.302 18770 206 1 1 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.520 -0.010 18770 207 1 1 . 1 1 45 45 ASP C C 45 175.930 175.930 176.975 -1.045 18770 208 1 1 . 1 1 45 45 ASP CA C 45 54.600 54.600 55.871 -1.271 18770 209 1 1 . 1 1 45 45 ASP H H 45 8.330 8.330 7.843 0.487 18770 210 1 1 . 1 1 46 46 ASP N N 46 121.600 121.600 118.967 2.633 18770 211 1 1 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.573 0.037 18770 212 1 1 . 1 1 46 46 ASP C C 46 176.040 176.040 174.846 1.194 18770 213 1 1 . 1 1 46 46 ASP CA C 46 54.410 54.410 53.824 0.586 18770 214 1 1 . 1 1 46 46 ASP H H 46 8.260 8.260 8.040 0.220 18770 215 1 1 . 1 1 47 47 GLU N N 47 123.340 123.340 118.178 5.162 18770 216 1 1 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.669 -0.119 18770 217 1 1 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.315 0.366 18770 218 1 1 . 1 1 47 47 GLU H H 47 8.190 8.190 8.411 -0.221 18770 219 1 1 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.285 -0.045 18770 220 1 2 . 1 1 3 3 GLY N N 3 108.610 108.610 109.017 -0.407 18770 221 1 2 . 1 1 3 3 GLY C C 3 173.770 173.770 173.598 0.172 18770 222 1 2 . 1 1 3 3 GLY CA C 3 45.260 45.260 45.287 -0.027 18770 223 1 2 . 1 1 3 3 GLY H H 3 8.380 8.380 8.029 0.351 18770 224 1 2 . 1 1 4 4 ILE N N 4 120.930 120.930 121.975 -1.045 18770 225 1 2 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.275 0.115 18770 226 1 2 . 1 1 4 4 ILE C C 4 175.060 175.060 175.766 -0.706 18770 227 1 2 . 1 1 4 4 ILE CA C 4 60.630 60.630 60.957 -0.327 18770 228 1 2 . 1 1 4 4 ILE H H 4 7.660 7.660 8.333 -0.673 18770 229 1 2 . 1 1 5 5 SER N N 5 121.380 121.380 121.915 -0.535 18770 230 1 2 . 1 1 5 5 SER HA H 5 4.720 4.720 4.554 0.166 18770 231 1 2 . 1 1 5 5 SER C C 5 175.650 175.650 175.488 0.162 18770 232 1 2 . 1 1 5 5 SER CA C 5 57.380 57.380 57.659 -0.279 18770 233 1 2 . 1 1 5 5 SER H H 5 8.210 8.210 8.449 -0.239 18770 234 1 2 . 1 1 6 6 ILE N N 6 123.490 123.490 127.772 -4.282 18770 235 1 2 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.841 -0.031 18770 236 1 2 . 1 1 6 6 ILE C C 6 176.630 176.630 176.920 -0.290 18770 237 1 2 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.469 0.581 18770 238 1 2 . 1 1 6 6 ILE H H 6 9.140 9.140 8.815 0.325 18770 239 1 2 . 1 1 7 7 TRP N N 7 119.410 119.410 119.582 -0.172 18770 240 1 2 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.235 0.185 18770 241 1 2 . 1 1 7 7 TRP C C 7 177.700 177.700 178.174 -0.474 18770 242 1 2 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.115 -0.456 18770 243 1 2 . 1 1 7 7 TRP H H 7 7.580 7.580 7.955 -0.375 18770 244 1 2 . 1 1 8 8 GLN N N 8 118.180 118.180 117.549 0.631 18770 245 1 2 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.131 -0.371 18770 246 1 2 . 1 1 8 8 GLN C C 8 177.770 177.770 178.583 -0.813 18770 247 1 2 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.861 0.639 18770 248 1 2 . 1 1 8 8 GLN H H 8 7.210 7.210 7.756 -0.546 18770 249 1 2 . 1 1 9 9 LEU N N 9 118.440 118.440 119.947 -1.507 18770 250 1 2 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.080 -0.140 18770 251 1 2 . 1 1 9 9 LEU C C 9 178.140 178.140 178.901 -0.761 18770 252 1 2 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.259 0.821 18770 253 1 2 . 1 1 9 9 LEU H H 9 7.740 7.740 7.668 0.072 18770 254 1 2 . 1 1 10 10 LEU N N 10 118.570 118.570 120.470 -1.900 18770 255 1 2 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.888 0.112 18770 256 1 2 . 1 1 10 10 LEU C C 10 177.920 177.920 179.152 -1.232 18770 257 1 2 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.462 -0.242 18770 258 1 2 . 1 1 10 10 LEU H H 10 8.240 8.240 7.506 0.734 18770 259 1 2 . 1 1 11 11 ILE N N 11 118.100 118.100 119.946 -1.846 18770 260 1 2 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.741 -0.021 18770 261 1 2 . 1 1 11 11 ILE C C 11 177.290 177.290 177.647 -0.357 18770 262 1 2 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.336 0.104 18770 263 1 2 . 1 1 11 11 ILE H H 11 7.750 7.750 7.748 0.002 18770 264 1 2 . 1 1 12 12 ILE N N 12 119.200 119.200 119.855 -0.655 18770 265 1 2 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.619 -0.029 18770 266 1 2 . 1 1 12 12 ILE C C 12 176.920 176.920 177.638 -0.718 18770 267 1 2 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.441 0.229 18770 268 1 2 . 1 1 12 12 ILE H H 12 7.780 7.780 7.486 0.294 18770 269 1 2 . 1 1 13 13 ALA N N 13 121.380 121.380 122.813 -1.433 18770 270 1 2 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.052 -0.182 18770 271 1 2 . 1 1 13 13 ALA C C 13 178.600 178.600 179.646 -1.046 18770 272 1 2 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.456 0.503 18770 273 1 2 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.139 0.501 18770 274 1 2 . 1 1 13 13 ALA H H 13 8.430 8.430 8.332 0.097 18770 275 1 2 . 1 1 14 14 VAL N N 14 116.960 116.960 119.557 -2.597 18770 276 1 2 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.680 -0.200 18770 277 1 2 . 1 1 14 14 VAL C C 14 177.270 177.270 177.979 -0.709 18770 278 1 2 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.504 1.026 18770 279 1 2 . 1 1 14 14 VAL H H 14 8.240 8.240 8.025 0.215 18770 280 1 2 . 1 1 15 15 ILE N N 15 119.670 119.670 120.228 -0.558 18770 281 1 2 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.639 -0.059 18770 282 1 2 . 1 1 15 15 ILE C C 15 177.460 177.460 177.907 -0.447 18770 283 1 2 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.738 0.682 18770 284 1 2 . 1 1 15 15 ILE H H 15 8.110 8.110 7.857 0.253 18770 285 1 2 . 1 1 16 16 VAL N N 16 118.470 118.470 119.957 -1.487 18770 286 1 2 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.812 -0.092 18770 287 1 2 . 1 1 16 16 VAL C C 16 178.120 178.120 178.204 -0.084 18770 288 1 2 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.230 0.600 18770 289 1 2 . 1 1 16 16 VAL H H 16 8.510 8.510 7.839 0.671 18770 290 1 2 . 1 1 17 17 VAL N N 17 120.380 120.380 119.575 0.805 18770 291 1 2 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.717 -0.147 18770 292 1 2 . 1 1 17 17 VAL C C 17 178.080 178.080 178.305 -0.225 18770 293 1 2 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.841 0.689 18770 294 1 2 . 1 1 17 17 VAL H H 17 8.380 8.380 7.594 0.786 18770 295 1 2 . 1 1 18 18 LEU N N 18 120.340 120.340 119.372 0.968 18770 296 1 2 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.942 0.098 18770 297 1 2 . 1 1 18 18 LEU C C 18 177.820 177.820 178.739 -0.919 18770 298 1 2 . 1 1 18 18 LEU CA C 18 57.990 57.990 58.041 -0.051 18770 299 1 2 . 1 1 18 18 LEU H H 18 8.360 8.360 7.863 0.497 18770 300 1 2 . 1 1 19 19 LEU N N 19 116.040 116.040 116.739 -0.699 18770 301 1 2 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.944 0.106 18770 302 1 2 . 1 1 19 19 LEU C C 19 178.250 178.250 178.600 -0.350 18770 303 1 2 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.424 -0.154 18770 304 1 2 . 1 1 19 19 LEU H H 19 8.190 8.190 7.986 0.204 18770 305 1 2 . 1 1 20 20 PHE N N 20 114.310 114.310 114.352 -0.042 18770 306 1 2 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.464 -0.454 18770 307 1 2 . 1 1 20 20 PHE C C 20 177.000 177.000 175.828 1.172 18770 308 1 2 . 1 1 20 20 PHE CA C 20 59.230 59.230 58.989 0.241 18770 309 1 2 . 1 1 20 20 PHE H H 20 8.280 8.280 8.005 0.275 18770 310 1 2 . 1 1 21 21 GLY N N 21 109.420 109.420 107.526 1.894 18770 311 1 2 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.708 1.722 18770 312 1 2 . 1 1 21 21 GLY H H 21 8.210 8.210 8.018 0.192 18770 313 1 2 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.316 0.004 18770 314 1 2 . 1 1 22 22 PRO C C 22 177.640 177.640 178.619 -0.979 18770 315 1 2 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.616 0.384 18770 316 1 2 . 1 1 23 23 LYS N N 23 118.970 118.970 120.661 -1.691 18770 317 1 2 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.102 0.068 18770 318 1 2 . 1 1 23 23 LYS C C 23 178.650 178.650 178.874 -0.224 18770 319 1 2 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.674 -0.524 18770 320 1 2 . 1 1 23 23 LYS H H 23 8.450 8.450 8.310 0.140 18770 321 1 2 . 1 1 24 24 LYS N N 24 119.990 119.990 119.758 0.232 18770 322 1 2 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.119 0.211 18770 323 1 2 . 1 1 24 24 LYS C C 24 177.950 177.950 179.002 -1.052 18770 324 1 2 . 1 1 24 24 LYS CA C 24 57.190 57.190 59.248 -2.058 18770 325 1 2 . 1 1 24 24 LYS H H 24 8.160 8.160 7.651 0.509 18770 326 1 2 . 1 1 25 25 LEU N N 25 119.390 119.390 120.014 -0.624 18770 327 1 2 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.023 0.107 18770 328 1 2 . 1 1 25 25 LEU C C 25 177.980 177.980 178.590 -0.610 18770 329 1 2 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.560 -0.430 18770 330 1 2 . 1 1 25 25 LEU H H 25 7.850 7.850 7.673 0.177 18770 331 1 2 . 1 1 26 26 GLY N N 26 105.890 105.890 106.957 -1.067 18770 332 1 2 . 1 1 26 26 GLY C C 26 175.110 175.110 176.407 -1.297 18770 333 1 2 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.212 -0.422 18770 334 1 2 . 1 1 26 26 GLY H H 26 8.280 8.280 7.864 0.416 18770 335 1 2 . 1 1 27 27 SER N N 27 117.000 117.000 118.788 -1.788 18770 336 1 2 . 1 1 27 27 SER HA H 27 4.440 4.440 4.310 0.130 18770 337 1 2 . 1 1 27 27 SER C C 27 175.750 175.750 176.860 -1.110 18770 338 1 2 . 1 1 27 27 SER CA C 27 60.190 60.190 61.514 -1.324 18770 339 1 2 . 1 1 27 27 SER H H 27 8.020 8.020 7.547 0.473 18770 340 1 2 . 1 1 28 28 ILE N N 28 121.650 121.650 121.792 -0.142 18770 341 1 2 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.755 0.335 18770 342 1 2 . 1 1 28 28 ILE C C 28 177.040 177.040 177.863 -0.823 18770 343 1 2 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.246 -1.586 18770 344 1 2 . 1 1 28 28 ILE H H 28 7.870 7.870 8.302 -0.432 18770 345 1 2 . 1 1 29 29 GLY N N 29 108.410 108.410 107.391 1.019 18770 346 1 2 . 1 1 29 29 GLY C C 29 174.580 174.580 176.263 -1.683 18770 347 1 2 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.348 -0.668 18770 348 1 2 . 1 1 29 29 GLY H H 29 8.370 8.370 8.454 -0.084 18770 349 1 2 . 1 1 30 30 SER N N 30 116.090 116.090 116.803 -0.713 18770 350 1 2 . 1 1 30 30 SER HA H 30 4.320 4.320 4.097 0.223 18770 351 1 2 . 1 1 30 30 SER C C 30 175.830 175.830 176.116 -0.286 18770 352 1 2 . 1 1 30 30 SER CA C 30 60.770 60.770 61.897 -1.127 18770 353 1 2 . 1 1 30 30 SER H H 30 8.060 8.060 8.123 -0.063 18770 354 1 2 . 1 1 31 31 ASP N N 31 122.820 122.820 122.455 0.365 18770 355 1 2 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.484 0.136 18770 356 1 2 . 1 1 31 31 ASP C C 31 177.690 177.690 179.138 -1.448 18770 357 1 2 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.874 -1.164 18770 358 1 2 . 1 1 31 31 ASP H H 31 8.240 8.240 8.134 0.106 18770 359 1 2 . 1 1 32 32 LEU N N 32 123.090 123.090 119.448 3.642 18770 360 1 2 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.289 -0.099 18770 361 1 2 . 1 1 32 32 LEU C C 32 178.580 178.580 179.083 -0.503 18770 362 1 2 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.221 1.289 18770 363 1 2 . 1 1 32 32 LEU H H 32 8.390 8.390 8.249 0.141 18770 364 1 2 . 1 1 33 33 GLY N N 33 107.330 107.330 106.339 0.991 18770 365 1 2 . 1 1 33 33 GLY C C 33 175.560 175.560 174.422 1.138 18770 366 1 2 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.784 1.446 18770 367 1 2 . 1 1 33 33 GLY H H 33 8.560 8.560 8.607 -0.047 18770 368 1 2 . 1 1 34 34 ALA N N 34 123.920 123.920 123.773 0.147 18770 369 1 2 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.126 0.084 18770 370 1 2 . 1 1 34 34 ALA C C 34 180.040 180.040 179.373 0.667 18770 371 1 2 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.670 0.030 18770 372 1 2 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.381 0.909 18770 373 1 2 . 1 1 34 34 ALA H H 34 8.090 8.090 7.402 0.688 18770 374 1 2 . 1 1 35 35 SER N N 35 116.060 116.060 114.858 1.202 18770 375 1 2 . 1 1 35 35 SER HA H 35 4.400 4.400 4.198 0.202 18770 376 1 2 . 1 1 35 35 SER C C 35 175.630 175.630 176.528 -0.898 18770 377 1 2 . 1 1 35 35 SER CA C 35 61.660 61.660 61.651 0.009 18770 378 1 2 . 1 1 35 35 SER H H 35 8.040 8.040 7.592 0.448 18770 379 1 2 . 1 1 36 36 ILE N N 36 122.330 122.330 122.315 0.015 18770 380 1 2 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.545 0.335 18770 381 1 2 . 1 1 36 36 ILE C C 36 177.330 177.330 177.451 -0.121 18770 382 1 2 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.599 -0.079 18770 383 1 2 . 1 1 36 36 ILE H H 36 8.280 8.280 7.135 1.145 18770 384 1 2 . 1 1 37 37 LYS N N 37 121.050 121.050 119.730 1.320 18770 385 1 2 . 1 1 37 37 LYS HA H 37 4.040 4.040 4.012 0.028 18770 386 1 2 . 1 1 37 37 LYS C C 37 178.950 178.950 179.113 -0.163 18770 387 1 2 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.255 -0.525 18770 388 1 2 . 1 1 37 37 LYS H H 37 8.130 8.130 7.603 0.527 18770 389 1 2 . 1 1 38 38 GLY N N 38 107.750 107.750 107.563 0.187 18770 390 1 2 . 1 1 38 38 GLY C C 38 175.870 175.870 176.598 -0.728 18770 391 1 2 . 1 1 38 38 GLY CA C 38 46.630 46.630 46.948 -0.318 18770 392 1 2 . 1 1 38 38 GLY H H 38 8.210 8.210 7.800 0.410 18770 393 1 2 . 1 1 39 39 PHE N N 39 123.190 123.190 122.095 1.095 18770 394 1 2 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.234 0.186 18770 395 1 2 . 1 1 39 39 PHE C C 39 176.510 176.510 177.551 -1.041 18770 396 1 2 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.650 -0.320 18770 397 1 2 . 1 1 39 39 PHE H H 39 8.130 8.130 7.951 0.179 18770 398 1 2 . 1 1 40 40 LYS N N 40 119.830 119.830 119.554 0.276 18770 399 1 2 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.998 -0.038 18770 400 1 2 . 1 1 40 40 LYS C C 40 178.330 178.330 177.930 0.400 18770 401 1 2 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.303 -0.093 18770 402 1 2 . 1 1 40 40 LYS H H 40 8.260 8.260 8.154 0.106 18770 403 1 2 . 1 1 41 41 LYS N N 41 121.010 121.010 117.980 3.030 18770 404 1 2 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.083 0.057 18770 405 1 2 . 1 1 41 41 LYS C C 41 177.790 177.790 179.211 -1.421 18770 406 1 2 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.047 -0.666 18770 407 1 2 . 1 1 41 41 LYS H H 41 8.040 8.040 7.835 0.205 18770 408 1 2 . 1 1 42 42 ALA N N 42 122.920 122.920 122.296 0.624 18770 409 1 2 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.053 0.197 18770 410 1 2 . 1 1 42 42 ALA C C 42 178.430 178.430 179.937 -1.507 18770 411 1 2 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.852 -0.952 18770 412 1 2 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.533 0.957 18770 413 1 2 . 1 1 42 42 ALA H H 42 7.950 7.950 8.231 -0.281 18770 414 1 2 . 1 1 43 43 MET N N 43 116.170 116.170 116.523 -0.353 18770 415 1 2 . 1 1 43 43 MET HA H 43 4.450 4.450 4.359 0.091 18770 416 1 2 . 1 1 43 43 MET C C 43 176.270 176.270 176.323 -0.053 18770 417 1 2 . 1 1 43 43 MET CA C 43 55.630 55.630 56.940 -1.310 18770 418 1 2 . 1 1 43 43 MET H H 43 7.790 7.790 8.038 -0.248 18770 419 1 2 . 1 1 44 44 SER N N 44 115.560 115.560 112.085 3.475 18770 420 1 2 . 1 1 44 44 SER HA H 44 4.490 4.490 4.648 -0.158 18770 421 1 2 . 1 1 44 44 SER C C 44 173.990 173.990 174.720 -0.730 18770 422 1 2 . 1 1 44 44 SER CA C 44 58.750 58.750 58.019 0.731 18770 423 1 2 . 1 1 44 44 SER H H 44 7.850 7.850 7.931 -0.081 18770 424 1 2 . 1 1 45 45 ASP N N 45 123.440 123.440 121.122 2.318 18770 425 1 2 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.884 -0.374 18770 426 1 2 . 1 1 45 45 ASP C C 45 175.930 175.930 175.260 0.670 18770 427 1 2 . 1 1 45 45 ASP CA C 45 54.600 54.600 54.691 -0.091 18770 428 1 2 . 1 1 45 45 ASP H H 45 8.330 8.330 7.729 0.601 18770 429 1 2 . 1 1 46 46 ASP N N 46 121.600 121.600 117.122 4.478 18770 430 1 2 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.713 -0.103 18770 431 1 2 . 1 1 46 46 ASP C C 46 176.040 176.040 173.761 2.279 18770 432 1 2 . 1 1 46 46 ASP CA C 46 54.410 54.410 54.094 0.315 18770 433 1 2 . 1 1 46 46 ASP H H 46 8.260 8.260 7.769 0.491 18770 434 1 2 . 1 1 47 47 GLU N N 47 123.340 123.340 119.228 4.112 18770 435 1 2 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.671 -0.121 18770 436 1 2 . 1 1 47 47 GLU CA C 47 54.680 54.680 53.931 0.749 18770 437 1 2 . 1 1 47 47 GLU H H 47 8.190 8.190 8.364 -0.174 18770 438 1 2 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.211 0.029 18770 439 1 3 . 1 1 3 3 GLY N N 3 108.610 108.610 108.867 -0.257 18770 440 1 3 . 1 1 3 3 GLY C C 3 173.770 173.770 174.242 -0.472 18770 441 1 3 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.788 0.472 18770 442 1 3 . 1 1 3 3 GLY H H 3 8.380 8.380 8.260 0.120 18770 443 1 3 . 1 1 4 4 ILE N N 4 120.930 120.930 121.382 -0.452 18770 444 1 3 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.475 -0.085 18770 445 1 3 . 1 1 4 4 ILE C C 4 175.060 175.060 176.086 -1.026 18770 446 1 3 . 1 1 4 4 ILE CA C 4 60.630 60.630 60.536 0.094 18770 447 1 3 . 1 1 4 4 ILE H H 4 7.660 7.660 7.733 -0.073 18770 448 1 3 . 1 1 5 5 SER N N 5 121.380 121.380 122.017 -0.637 18770 449 1 3 . 1 1 5 5 SER HA H 5 4.720 4.720 4.594 0.126 18770 450 1 3 . 1 1 5 5 SER C C 5 175.650 175.650 175.829 -0.179 18770 451 1 3 . 1 1 5 5 SER CA C 5 57.380 57.380 57.066 0.313 18770 452 1 3 . 1 1 5 5 SER H H 5 8.210 8.210 8.487 -0.277 18770 453 1 3 . 1 1 6 6 ILE N N 6 123.490 123.490 123.128 0.362 18770 454 1 3 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.893 -0.083 18770 455 1 3 . 1 1 6 6 ILE C C 6 176.630 176.630 177.223 -0.593 18770 456 1 3 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.477 0.573 18770 457 1 3 . 1 1 6 6 ILE H H 6 9.140 9.140 8.763 0.377 18770 458 1 3 . 1 1 7 7 TRP N N 7 119.410 119.410 120.563 -1.153 18770 459 1 3 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.240 0.180 18770 460 1 3 . 1 1 7 7 TRP C C 7 177.700 177.700 177.655 0.045 18770 461 1 3 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.786 -1.127 18770 462 1 3 . 1 1 7 7 TRP H H 7 7.580 7.580 7.701 -0.121 18770 463 1 3 . 1 1 8 8 GLN N N 8 118.180 118.180 118.702 -0.522 18770 464 1 3 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.099 -0.339 18770 465 1 3 . 1 1 8 8 GLN C C 8 177.770 177.770 178.222 -0.452 18770 466 1 3 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.943 0.557 18770 467 1 3 . 1 1 8 8 GLN H H 8 7.210 7.210 7.704 -0.494 18770 468 1 3 . 1 1 9 9 LEU N N 9 118.440 118.440 119.840 -1.400 18770 469 1 3 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.050 -0.110 18770 470 1 3 . 1 1 9 9 LEU C C 9 178.140 178.140 178.930 -0.790 18770 471 1 3 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.413 0.666 18770 472 1 3 . 1 1 9 9 LEU H H 9 7.740 7.740 7.942 -0.202 18770 473 1 3 . 1 1 10 10 LEU N N 10 118.570 118.570 120.334 -1.764 18770 474 1 3 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.878 0.122 18770 475 1 3 . 1 1 10 10 LEU C C 10 177.920 177.920 179.187 -1.267 18770 476 1 3 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.405 -0.185 18770 477 1 3 . 1 1 10 10 LEU H H 10 8.240 8.240 7.376 0.864 18770 478 1 3 . 1 1 11 11 ILE N N 11 118.100 118.100 119.830 -1.730 18770 479 1 3 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.747 -0.027 18770 480 1 3 . 1 1 11 11 ILE C C 11 177.290 177.290 177.662 -0.372 18770 481 1 3 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.203 0.237 18770 482 1 3 . 1 1 11 11 ILE H H 11 7.750 7.750 7.759 -0.009 18770 483 1 3 . 1 1 12 12 ILE N N 12 119.200 119.200 119.836 -0.636 18770 484 1 3 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.612 -0.022 18770 485 1 3 . 1 1 12 12 ILE C C 12 176.920 176.920 177.651 -0.731 18770 486 1 3 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.357 0.313 18770 487 1 3 . 1 1 12 12 ILE H H 12 7.780 7.780 7.617 0.163 18770 488 1 3 . 1 1 13 13 ALA N N 13 121.380 121.380 122.353 -0.973 18770 489 1 3 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.035 -0.165 18770 490 1 3 . 1 1 13 13 ALA C C 13 178.600 178.600 179.548 -0.948 18770 491 1 3 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.278 0.682 18770 492 1 3 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.040 0.601 18770 493 1 3 . 1 1 13 13 ALA H H 13 8.430 8.430 8.238 0.192 18770 494 1 3 . 1 1 14 14 VAL N N 14 116.960 116.960 119.403 -2.443 18770 495 1 3 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.559 -0.079 18770 496 1 3 . 1 1 14 14 VAL C C 14 177.270 177.270 177.927 -0.657 18770 497 1 3 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.709 0.821 18770 498 1 3 . 1 1 14 14 VAL H H 14 8.240 8.240 7.715 0.525 18770 499 1 3 . 1 1 15 15 ILE N N 15 119.670 119.670 119.988 -0.318 18770 500 1 3 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.627 -0.047 18770 501 1 3 . 1 1 15 15 ILE C C 15 177.460 177.460 177.826 -0.366 18770 502 1 3 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.743 0.677 18770 503 1 3 . 1 1 15 15 ILE H H 15 8.110 8.110 7.513 0.597 18770 504 1 3 . 1 1 16 16 VAL N N 16 118.470 118.470 119.996 -1.526 18770 505 1 3 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.708 0.012 18770 506 1 3 . 1 1 16 16 VAL C C 16 178.120 178.120 178.174 -0.054 18770 507 1 3 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.172 0.658 18770 508 1 3 . 1 1 16 16 VAL H H 16 8.510 8.510 7.487 1.023 18770 509 1 3 . 1 1 17 17 VAL N N 17 120.380 120.380 119.509 0.871 18770 510 1 3 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.731 -0.161 18770 511 1 3 . 1 1 17 17 VAL C C 17 178.080 178.080 178.244 -0.164 18770 512 1 3 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.888 0.642 18770 513 1 3 . 1 1 17 17 VAL H H 17 8.380 8.380 7.529 0.851 18770 514 1 3 . 1 1 18 18 LEU N N 18 120.340 120.340 119.219 1.121 18770 515 1 3 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.947 0.093 18770 516 1 3 . 1 1 18 18 LEU C C 18 177.820 177.820 178.704 -0.884 18770 517 1 3 . 1 1 18 18 LEU CA C 18 57.990 57.990 58.009 -0.019 18770 518 1 3 . 1 1 18 18 LEU H H 18 8.360 8.360 7.715 0.645 18770 519 1 3 . 1 1 19 19 LEU N N 19 116.040 116.040 117.164 -1.124 18770 520 1 3 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.968 0.082 18770 521 1 3 . 1 1 19 19 LEU C C 19 178.250 178.250 178.943 -0.693 18770 522 1 3 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.508 -0.238 18770 523 1 3 . 1 1 19 19 LEU H H 19 8.190 8.190 7.985 0.205 18770 524 1 3 . 1 1 20 20 PHE N N 20 114.310 114.310 116.240 -1.930 18770 525 1 3 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.532 -0.522 18770 526 1 3 . 1 1 20 20 PHE C C 20 177.000 177.000 176.087 0.913 18770 527 1 3 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.131 0.099 18770 528 1 3 . 1 1 20 20 PHE H H 20 8.280 8.280 8.270 0.010 18770 529 1 3 . 1 1 21 21 GLY N N 21 109.420 109.420 107.595 1.825 18770 530 1 3 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.678 1.752 18770 531 1 3 . 1 1 21 21 GLY H H 21 8.210 8.210 7.976 0.234 18770 532 1 3 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.318 0.002 18770 533 1 3 . 1 1 22 22 PRO C C 22 177.640 177.640 178.419 -0.779 18770 534 1 3 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.413 0.587 18770 535 1 3 . 1 1 23 23 LYS N N 23 118.970 118.970 120.755 -1.785 18770 536 1 3 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.060 0.110 18770 537 1 3 . 1 1 23 23 LYS C C 23 178.650 178.650 178.491 0.159 18770 538 1 3 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.683 -0.533 18770 539 1 3 . 1 1 23 23 LYS H H 23 8.450 8.450 8.224 0.226 18770 540 1 3 . 1 1 24 24 LYS N N 24 119.990 119.990 119.264 0.726 18770 541 1 3 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.152 0.178 18770 542 1 3 . 1 1 24 24 LYS C C 24 177.950 177.950 179.024 -1.074 18770 543 1 3 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.734 -1.544 18770 544 1 3 . 1 1 24 24 LYS H H 24 8.160 8.160 7.638 0.522 18770 545 1 3 . 1 1 25 25 LEU N N 25 119.390 119.390 119.937 -0.547 18770 546 1 3 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.089 0.041 18770 547 1 3 . 1 1 25 25 LEU C C 25 177.980 177.980 178.716 -0.736 18770 548 1 3 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.543 -0.413 18770 549 1 3 . 1 1 25 25 LEU H H 25 7.850 7.850 7.682 0.168 18770 550 1 3 . 1 1 26 26 GLY N N 26 105.890 105.890 106.937 -1.047 18770 551 1 3 . 1 1 26 26 GLY C C 26 175.110 175.110 175.995 -0.885 18770 552 1 3 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.509 -0.719 18770 553 1 3 . 1 1 26 26 GLY H H 26 8.280 8.280 8.139 0.141 18770 554 1 3 . 1 1 27 27 SER N N 27 117.000 117.000 118.393 -1.393 18770 555 1 3 . 1 1 27 27 SER HA H 27 4.440 4.440 4.203 0.237 18770 556 1 3 . 1 1 27 27 SER C C 27 175.750 175.750 176.884 -1.134 18770 557 1 3 . 1 1 27 27 SER CA C 27 60.190 60.190 61.843 -1.653 18770 558 1 3 . 1 1 27 27 SER H H 27 8.020 8.020 7.686 0.334 18770 559 1 3 . 1 1 28 28 ILE N N 28 121.650 121.650 122.922 -1.272 18770 560 1 3 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.741 0.349 18770 561 1 3 . 1 1 28 28 ILE C C 28 177.040 177.040 178.014 -0.974 18770 562 1 3 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.092 -1.432 18770 563 1 3 . 1 1 28 28 ILE H H 28 7.870 7.870 8.439 -0.569 18770 564 1 3 . 1 1 29 29 GLY N N 29 108.410 108.410 107.654 0.756 18770 565 1 3 . 1 1 29 29 GLY C C 29 174.580 174.580 176.343 -1.763 18770 566 1 3 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.266 -0.586 18770 567 1 3 . 1 1 29 29 GLY H H 29 8.370 8.370 8.414 -0.044 18770 568 1 3 . 1 1 30 30 SER N N 30 116.090 116.090 117.543 -1.453 18770 569 1 3 . 1 1 30 30 SER HA H 30 4.320 4.320 4.067 0.253 18770 570 1 3 . 1 1 30 30 SER C C 30 175.830 175.830 175.713 0.117 18770 571 1 3 . 1 1 30 30 SER CA C 30 60.770 60.770 61.910 -1.140 18770 572 1 3 . 1 1 30 30 SER H H 30 8.060 8.060 8.199 -0.139 18770 573 1 3 . 1 1 31 31 ASP N N 31 122.820 122.820 120.496 2.324 18770 574 1 3 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.539 0.081 18770 575 1 3 . 1 1 31 31 ASP C C 31 177.690 177.690 178.870 -1.180 18770 576 1 3 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.448 -0.738 18770 577 1 3 . 1 1 31 31 ASP H H 31 8.240 8.240 8.003 0.237 18770 578 1 3 . 1 1 32 32 LEU N N 32 123.090 123.090 119.237 3.853 18770 579 1 3 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.321 -0.131 18770 580 1 3 . 1 1 32 32 LEU C C 32 178.580 178.580 178.456 0.124 18770 581 1 3 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.079 1.431 18770 582 1 3 . 1 1 32 32 LEU H H 32 8.390 8.390 8.228 0.162 18770 583 1 3 . 1 1 33 33 GLY N N 33 107.330 107.330 105.615 1.715 18770 584 1 3 . 1 1 33 33 GLY C C 33 175.560 175.560 174.621 0.939 18770 585 1 3 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.381 1.849 18770 586 1 3 . 1 1 33 33 GLY H H 33 8.560 8.560 8.278 0.282 18770 587 1 3 . 1 1 34 34 ALA N N 34 123.920 123.920 124.106 -0.186 18770 588 1 3 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.161 0.049 18770 589 1 3 . 1 1 34 34 ALA C C 34 180.040 180.040 179.251 0.789 18770 590 1 3 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.996 -0.296 18770 591 1 3 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.511 0.779 18770 592 1 3 . 1 1 34 34 ALA H H 34 8.090 8.090 7.503 0.587 18770 593 1 3 . 1 1 35 35 SER N N 35 116.060 116.060 114.683 1.377 18770 594 1 3 . 1 1 35 35 SER HA H 35 4.400 4.400 4.259 0.141 18770 595 1 3 . 1 1 35 35 SER C C 35 175.630 175.630 176.484 -0.854 18770 596 1 3 . 1 1 35 35 SER CA C 35 61.660 61.660 61.479 0.181 18770 597 1 3 . 1 1 35 35 SER H H 35 8.040 8.040 7.753 0.287 18770 598 1 3 . 1 1 36 36 ILE N N 36 122.330 122.330 123.640 -1.310 18770 599 1 3 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.603 0.277 18770 600 1 3 . 1 1 36 36 ILE C C 36 177.330 177.330 177.541 -0.211 18770 601 1 3 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.638 -0.118 18770 602 1 3 . 1 1 36 36 ILE H H 36 8.280 8.280 7.842 0.438 18770 603 1 3 . 1 1 37 37 LYS N N 37 121.050 121.050 120.650 0.400 18770 604 1 3 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.973 0.067 18770 605 1 3 . 1 1 37 37 LYS C C 37 178.950 178.950 179.045 -0.095 18770 606 1 3 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.220 -0.490 18770 607 1 3 . 1 1 37 37 LYS H H 37 8.130 8.130 8.059 0.071 18770 608 1 3 . 1 1 38 38 GLY N N 38 107.750 107.750 106.932 0.818 18770 609 1 3 . 1 1 38 38 GLY C C 38 175.870 175.870 176.456 -0.586 18770 610 1 3 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.249 -0.619 18770 611 1 3 . 1 1 38 38 GLY H H 38 8.210 8.210 7.830 0.380 18770 612 1 3 . 1 1 39 39 PHE N N 39 123.190 123.190 122.042 1.148 18770 613 1 3 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.229 0.191 18770 614 1 3 . 1 1 39 39 PHE C C 39 176.510 176.510 177.622 -1.112 18770 615 1 3 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.880 -0.550 18770 616 1 3 . 1 1 39 39 PHE H H 39 8.130 8.130 7.979 0.151 18770 617 1 3 . 1 1 40 40 LYS N N 40 119.830 119.830 118.817 1.013 18770 618 1 3 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.968 -0.008 18770 619 1 3 . 1 1 40 40 LYS C C 40 178.330 178.330 178.064 0.266 18770 620 1 3 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.531 -0.321 18770 621 1 3 . 1 1 40 40 LYS H H 40 8.260 8.260 8.309 -0.049 18770 622 1 3 . 1 1 41 41 LYS N N 41 121.010 121.010 117.558 3.452 18770 623 1 3 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.130 0.010 18770 624 1 3 . 1 1 41 41 LYS C C 41 177.790 177.790 179.101 -1.311 18770 625 1 3 . 1 1 41 41 LYS CA C 41 58.380 58.380 58.719 -0.339 18770 626 1 3 . 1 1 41 41 LYS H H 41 8.040 8.040 7.995 0.045 18770 627 1 3 . 1 1 42 42 ALA N N 42 122.920 122.920 121.795 1.125 18770 628 1 3 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.052 0.198 18770 629 1 3 . 1 1 42 42 ALA C C 42 178.430 178.430 179.883 -1.453 18770 630 1 3 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.837 -0.937 18770 631 1 3 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.344 1.146 18770 632 1 3 . 1 1 42 42 ALA H H 42 7.950 7.950 8.337 -0.387 18770 633 1 3 . 1 1 43 43 MET N N 43 116.170 116.170 116.137 0.033 18770 634 1 3 . 1 1 43 43 MET HA H 43 4.450 4.450 4.352 0.098 18770 635 1 3 . 1 1 43 43 MET C C 43 176.270 176.270 177.378 -1.108 18770 636 1 3 . 1 1 43 43 MET CA C 43 55.630 55.630 56.315 -0.685 18770 637 1 3 . 1 1 43 43 MET H H 43 7.790 7.790 7.902 -0.112 18770 638 1 3 . 1 1 44 44 SER N N 44 115.560 115.560 115.624 -0.064 18770 639 1 3 . 1 1 44 44 SER HA H 44 4.490 4.490 4.326 0.164 18770 640 1 3 . 1 1 44 44 SER C C 44 173.990 173.990 175.216 -1.226 18770 641 1 3 . 1 1 44 44 SER CA C 44 58.750 58.750 59.980 -1.230 18770 642 1 3 . 1 1 44 44 SER H H 44 7.850 7.850 8.125 -0.275 18770 643 1 3 . 1 1 45 45 ASP N N 45 123.440 123.440 121.688 1.752 18770 644 1 3 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.487 0.023 18770 645 1 3 . 1 1 45 45 ASP C C 45 175.930 175.930 176.405 -0.475 18770 646 1 3 . 1 1 45 45 ASP CA C 45 54.600 54.600 54.925 -0.325 18770 647 1 3 . 1 1 45 45 ASP H H 45 8.330 8.330 7.707 0.623 18770 648 1 3 . 1 1 46 46 ASP N N 46 121.600 121.600 118.543 3.057 18770 649 1 3 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.359 0.251 18770 650 1 3 . 1 1 46 46 ASP C C 46 176.040 176.040 174.638 1.402 18770 651 1 3 . 1 1 46 46 ASP CA C 46 54.410 54.410 55.571 -1.161 18770 652 1 3 . 1 1 46 46 ASP H H 46 8.260 8.260 7.802 0.458 18770 653 1 3 . 1 1 47 47 GLU N N 47 123.340 123.340 120.198 3.142 18770 654 1 3 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.551 -0.001 18770 655 1 3 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.778 -0.098 18770 656 1 3 . 1 1 47 47 GLU H H 47 8.190 8.190 8.291 -0.101 18770 657 1 3 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.355 -0.115 18770 658 1 4 . 1 1 3 3 GLY N N 3 108.610 108.610 108.934 -0.324 18770 659 1 4 . 1 1 3 3 GLY C C 3 173.770 173.770 172.990 0.780 18770 660 1 4 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.694 0.566 18770 661 1 4 . 1 1 3 3 GLY H H 3 8.380 8.380 8.048 0.332 18770 662 1 4 . 1 1 4 4 ILE N N 4 120.930 120.930 121.683 -0.753 18770 663 1 4 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.182 0.208 18770 664 1 4 . 1 1 4 4 ILE C C 4 175.060 175.060 175.840 -0.780 18770 665 1 4 . 1 1 4 4 ILE CA C 4 60.630 60.630 61.249 -0.619 18770 666 1 4 . 1 1 4 4 ILE H H 4 7.660 7.660 8.262 -0.602 18770 667 1 4 . 1 1 5 5 SER N N 5 121.380 121.380 121.444 -0.064 18770 668 1 4 . 1 1 5 5 SER HA H 5 4.720 4.720 4.620 0.100 18770 669 1 4 . 1 1 5 5 SER C C 5 175.650 175.650 175.283 0.367 18770 670 1 4 . 1 1 5 5 SER CA C 5 57.380 57.380 57.332 0.048 18770 671 1 4 . 1 1 5 5 SER H H 5 8.210 8.210 8.427 -0.217 18770 672 1 4 . 1 1 6 6 ILE N N 6 123.490 123.490 128.055 -4.565 18770 673 1 4 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.889 -0.079 18770 674 1 4 . 1 1 6 6 ILE C C 6 176.630 176.630 176.917 -0.287 18770 675 1 4 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.696 0.354 18770 676 1 4 . 1 1 6 6 ILE H H 6 9.140 9.140 8.945 0.195 18770 677 1 4 . 1 1 7 7 TRP N N 7 119.410 119.410 119.767 -0.357 18770 678 1 4 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.237 0.183 18770 679 1 4 . 1 1 7 7 TRP C C 7 177.700 177.700 177.981 -0.281 18770 680 1 4 . 1 1 7 7 TRP CA C 7 59.660 59.660 61.773 -2.113 18770 681 1 4 . 1 1 7 7 TRP H H 7 7.580 7.580 8.242 -0.662 18770 682 1 4 . 1 1 8 8 GLN N N 8 118.180 118.180 118.409 -0.229 18770 683 1 4 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.141 -0.381 18770 684 1 4 . 1 1 8 8 GLN C C 8 177.770 177.770 178.268 -0.498 18770 685 1 4 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.831 0.669 18770 686 1 4 . 1 1 8 8 GLN H H 8 7.210 7.210 7.889 -0.679 18770 687 1 4 . 1 1 9 9 LEU N N 9 118.440 118.440 119.917 -1.477 18770 688 1 4 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.038 -0.098 18770 689 1 4 . 1 1 9 9 LEU C C 9 178.140 178.140 178.790 -0.650 18770 690 1 4 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.320 0.760 18770 691 1 4 . 1 1 9 9 LEU H H 9 7.740 7.740 7.650 0.090 18770 692 1 4 . 1 1 10 10 LEU N N 10 118.570 118.570 120.880 -2.310 18770 693 1 4 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.824 0.176 18770 694 1 4 . 1 1 10 10 LEU C C 10 177.920 177.920 178.715 -0.795 18770 695 1 4 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.226 -0.006 18770 696 1 4 . 1 1 10 10 LEU H H 10 8.240 8.240 7.844 0.396 18770 697 1 4 . 1 1 11 11 ILE N N 11 118.100 118.100 119.565 -1.465 18770 698 1 4 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.612 0.108 18770 699 1 4 . 1 1 11 11 ILE C C 11 177.290 177.290 177.589 -0.299 18770 700 1 4 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.094 0.346 18770 701 1 4 . 1 1 11 11 ILE H H 11 7.750 7.750 7.774 -0.024 18770 702 1 4 . 1 1 12 12 ILE N N 12 119.200 119.200 119.850 -0.650 18770 703 1 4 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.590 0.000 18770 704 1 4 . 1 1 12 12 ILE C C 12 176.920 176.920 177.574 -0.654 18770 705 1 4 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.383 0.287 18770 706 1 4 . 1 1 12 12 ILE H H 12 7.780 7.780 7.600 0.180 18770 707 1 4 . 1 1 13 13 ALA N N 13 121.380 121.380 122.606 -1.226 18770 708 1 4 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.020 -0.150 18770 709 1 4 . 1 1 13 13 ALA C C 13 178.600 178.600 179.578 -0.978 18770 710 1 4 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.397 0.563 18770 711 1 4 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.043 0.598 18770 712 1 4 . 1 1 13 13 ALA H H 13 8.430 8.430 8.315 0.115 18770 713 1 4 . 1 1 14 14 VAL N N 14 116.960 116.960 119.533 -2.573 18770 714 1 4 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.630 -0.150 18770 715 1 4 . 1 1 14 14 VAL C C 14 177.270 177.270 177.921 -0.651 18770 716 1 4 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.358 1.172 18770 717 1 4 . 1 1 14 14 VAL H H 14 8.240 8.240 7.651 0.589 18770 718 1 4 . 1 1 15 15 ILE N N 15 119.670 119.670 120.175 -0.505 18770 719 1 4 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.647 -0.067 18770 720 1 4 . 1 1 15 15 ILE C C 15 177.460 177.460 177.964 -0.504 18770 721 1 4 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.707 0.713 18770 722 1 4 . 1 1 15 15 ILE H H 15 8.110 8.110 7.592 0.518 18770 723 1 4 . 1 1 16 16 VAL N N 16 118.470 118.470 119.641 -1.171 18770 724 1 4 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.775 -0.055 18770 725 1 4 . 1 1 16 16 VAL C C 16 178.120 178.120 178.413 -0.293 18770 726 1 4 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.178 0.652 18770 727 1 4 . 1 1 16 16 VAL H H 16 8.510 8.510 7.708 0.802 18770 728 1 4 . 1 1 17 17 VAL N N 17 120.380 120.380 119.710 0.670 18770 729 1 4 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.623 -0.053 18770 730 1 4 . 1 1 17 17 VAL C C 17 178.080 178.080 178.592 -0.512 18770 731 1 4 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.802 0.729 18770 732 1 4 . 1 1 17 17 VAL H H 17 8.380 8.380 7.709 0.671 18770 733 1 4 . 1 1 18 18 LEU N N 18 120.340 120.340 119.502 0.838 18770 734 1 4 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.934 0.106 18770 735 1 4 . 1 1 18 18 LEU C C 18 177.820 177.820 178.750 -0.930 18770 736 1 4 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.942 0.048 18770 737 1 4 . 1 1 18 18 LEU H H 18 8.360 8.360 7.880 0.480 18770 738 1 4 . 1 1 19 19 LEU N N 19 116.040 116.040 117.100 -1.060 18770 739 1 4 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.957 0.093 18770 740 1 4 . 1 1 19 19 LEU C C 19 178.250 178.250 178.883 -0.633 18770 741 1 4 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.462 -0.192 18770 742 1 4 . 1 1 19 19 LEU H H 19 8.190 8.190 7.946 0.244 18770 743 1 4 . 1 1 20 20 PHE N N 20 114.310 114.310 116.190 -1.880 18770 744 1 4 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.526 -0.516 18770 745 1 4 . 1 1 20 20 PHE C C 20 177.000 177.000 176.034 0.966 18770 746 1 4 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.165 0.065 18770 747 1 4 . 1 1 20 20 PHE H H 20 8.280 8.280 8.145 0.135 18770 748 1 4 . 1 1 21 21 GLY N N 21 109.420 109.420 107.484 1.936 18770 749 1 4 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.680 1.750 18770 750 1 4 . 1 1 21 21 GLY H H 21 8.210 8.210 7.976 0.234 18770 751 1 4 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.352 -0.032 18770 752 1 4 . 1 1 22 22 PRO C C 22 177.640 177.640 178.537 -0.897 18770 753 1 4 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.555 0.445 18770 754 1 4 . 1 1 23 23 LYS N N 23 118.970 118.970 119.680 -0.710 18770 755 1 4 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.021 0.149 18770 756 1 4 . 1 1 23 23 LYS C C 23 178.650 178.650 178.566 0.084 18770 757 1 4 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.407 -0.257 18770 758 1 4 . 1 1 23 23 LYS H H 23 8.450 8.450 8.278 0.172 18770 759 1 4 . 1 1 24 24 LYS N N 24 119.990 119.990 118.948 1.042 18770 760 1 4 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.122 0.208 18770 761 1 4 . 1 1 24 24 LYS C C 24 177.950 177.950 179.028 -1.078 18770 762 1 4 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.784 -1.594 18770 763 1 4 . 1 1 24 24 LYS H H 24 8.160 8.160 7.789 0.371 18770 764 1 4 . 1 1 25 25 LEU N N 25 119.390 119.390 120.268 -0.878 18770 765 1 4 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.051 0.079 18770 766 1 4 . 1 1 25 25 LEU C C 25 177.980 177.980 178.587 -0.607 18770 767 1 4 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.705 -0.575 18770 768 1 4 . 1 1 25 25 LEU H H 25 7.850 7.850 7.692 0.158 18770 769 1 4 . 1 1 26 26 GLY N N 26 105.890 105.890 107.102 -1.212 18770 770 1 4 . 1 1 26 26 GLY C C 26 175.110 175.110 176.040 -0.930 18770 771 1 4 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.296 -0.506 18770 772 1 4 . 1 1 26 26 GLY H H 26 8.280 8.280 7.989 0.291 18770 773 1 4 . 1 1 27 27 SER N N 27 117.000 117.000 119.215 -2.215 18770 774 1 4 . 1 1 27 27 SER HA H 27 4.440 4.440 4.269 0.171 18770 775 1 4 . 1 1 27 27 SER C C 27 175.750 175.750 176.987 -1.237 18770 776 1 4 . 1 1 27 27 SER CA C 27 60.190 60.190 62.548 -2.358 18770 777 1 4 . 1 1 27 27 SER H H 27 8.020 8.020 7.517 0.503 18770 778 1 4 . 1 1 28 28 ILE N N 28 121.650 121.650 122.027 -0.377 18770 779 1 4 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.782 0.308 18770 780 1 4 . 1 1 28 28 ILE C C 28 177.040 177.040 177.957 -0.917 18770 781 1 4 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.349 -1.689 18770 782 1 4 . 1 1 28 28 ILE H H 28 7.870 7.870 8.372 -0.502 18770 783 1 4 . 1 1 29 29 GLY N N 29 108.410 108.410 107.504 0.906 18770 784 1 4 . 1 1 29 29 GLY C C 29 174.580 174.580 175.986 -1.406 18770 785 1 4 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.451 -0.771 18770 786 1 4 . 1 1 29 29 GLY H H 29 8.370 8.370 8.352 0.018 18770 787 1 4 . 1 1 30 30 SER N N 30 116.090 116.090 116.676 -0.586 18770 788 1 4 . 1 1 30 30 SER HA H 30 4.320 4.320 4.065 0.255 18770 789 1 4 . 1 1 30 30 SER C C 30 175.830 175.830 176.612 -0.782 18770 790 1 4 . 1 1 30 30 SER CA C 30 60.770 60.770 61.407 -0.637 18770 791 1 4 . 1 1 30 30 SER H H 30 8.060 8.060 8.116 -0.056 18770 792 1 4 . 1 1 31 31 ASP N N 31 122.820 122.820 122.030 0.790 18770 793 1 4 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.493 0.127 18770 794 1 4 . 1 1 31 31 ASP C C 31 177.690 177.690 178.909 -1.219 18770 795 1 4 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.666 -0.957 18770 796 1 4 . 1 1 31 31 ASP H H 31 8.240 8.240 8.157 0.083 18770 797 1 4 . 1 1 32 32 LEU N N 32 123.090 123.090 119.426 3.664 18770 798 1 4 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.319 -0.129 18770 799 1 4 . 1 1 32 32 LEU C C 32 178.580 178.580 179.168 -0.588 18770 800 1 4 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.146 1.364 18770 801 1 4 . 1 1 32 32 LEU H H 32 8.390 8.390 8.273 0.117 18770 802 1 4 . 1 1 33 33 GLY N N 33 107.330 107.330 106.277 1.053 18770 803 1 4 . 1 1 33 33 GLY C C 33 175.560 175.560 174.391 1.169 18770 804 1 4 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.622 1.608 18770 805 1 4 . 1 1 33 33 GLY H H 33 8.560 8.560 8.475 0.085 18770 806 1 4 . 1 1 34 34 ALA N N 34 123.920 123.920 123.778 0.142 18770 807 1 4 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.129 0.081 18770 808 1 4 . 1 1 34 34 ALA C C 34 180.040 180.040 179.220 0.820 18770 809 1 4 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.815 -0.115 18770 810 1 4 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.341 0.949 18770 811 1 4 . 1 1 34 34 ALA H H 34 8.090 8.090 7.452 0.638 18770 812 1 4 . 1 1 35 35 SER N N 35 116.060 116.060 114.296 1.764 18770 813 1 4 . 1 1 35 35 SER HA H 35 4.400 4.400 4.276 0.124 18770 814 1 4 . 1 1 35 35 SER C C 35 175.630 175.630 176.511 -0.881 18770 815 1 4 . 1 1 35 35 SER CA C 35 61.660 61.660 61.134 0.526 18770 816 1 4 . 1 1 35 35 SER H H 35 8.040 8.040 7.585 0.455 18770 817 1 4 . 1 1 36 36 ILE N N 36 122.330 122.330 121.880 0.450 18770 818 1 4 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.472 0.408 18770 819 1 4 . 1 1 36 36 ILE C C 36 177.330 177.330 177.497 -0.167 18770 820 1 4 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.690 -0.170 18770 821 1 4 . 1 1 36 36 ILE H H 36 8.280 8.280 7.899 0.381 18770 822 1 4 . 1 1 37 37 LYS N N 37 121.050 121.050 119.505 1.545 18770 823 1 4 . 1 1 37 37 LYS HA H 37 4.040 4.040 4.006 0.034 18770 824 1 4 . 1 1 37 37 LYS C C 37 178.950 178.950 179.140 -0.190 18770 825 1 4 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.162 -0.432 18770 826 1 4 . 1 1 37 37 LYS H H 37 8.130 8.130 7.781 0.349 18770 827 1 4 . 1 1 38 38 GLY N N 38 107.750 107.750 107.334 0.416 18770 828 1 4 . 1 1 38 38 GLY C C 38 175.870 175.870 176.463 -0.593 18770 829 1 4 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.211 -0.581 18770 830 1 4 . 1 1 38 38 GLY H H 38 8.210 8.210 7.840 0.370 18770 831 1 4 . 1 1 39 39 PHE N N 39 123.190 123.190 122.647 0.543 18770 832 1 4 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.234 0.186 18770 833 1 4 . 1 1 39 39 PHE C C 39 176.510 176.510 177.513 -1.003 18770 834 1 4 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.648 -0.318 18770 835 1 4 . 1 1 39 39 PHE H H 39 8.130 8.130 7.592 0.538 18770 836 1 4 . 1 1 40 40 LYS N N 40 119.830 119.830 119.635 0.195 18770 837 1 4 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.972 -0.012 18770 838 1 4 . 1 1 40 40 LYS C C 40 178.330 178.330 178.121 0.209 18770 839 1 4 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.413 -0.203 18770 840 1 4 . 1 1 40 40 LYS H H 40 8.260 8.260 8.015 0.245 18770 841 1 4 . 1 1 41 41 LYS N N 41 121.010 121.010 118.051 2.959 18770 842 1 4 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.050 0.090 18770 843 1 4 . 1 1 41 41 LYS C C 41 177.790 177.790 179.169 -1.379 18770 844 1 4 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.103 -0.723 18770 845 1 4 . 1 1 41 41 LYS H H 41 8.040 8.040 7.850 0.190 18770 846 1 4 . 1 1 42 42 ALA N N 42 122.920 122.920 122.821 0.099 18770 847 1 4 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.063 0.187 18770 848 1 4 . 1 1 42 42 ALA C C 42 178.430 178.430 179.286 -0.856 18770 849 1 4 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.764 -0.864 18770 850 1 4 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.352 1.138 18770 851 1 4 . 1 1 42 42 ALA H H 42 7.950 7.950 8.220 -0.270 18770 852 1 4 . 1 1 43 43 MET N N 43 116.170 116.170 117.093 -0.923 18770 853 1 4 . 1 1 43 43 MET HA H 43 4.450 4.450 4.422 0.028 18770 854 1 4 . 1 1 43 43 MET C C 43 176.270 176.270 175.293 0.977 18770 855 1 4 . 1 1 43 43 MET CA C 43 55.630 55.630 55.145 0.485 18770 856 1 4 . 1 1 43 43 MET H H 43 7.790 7.790 7.800 -0.010 18770 857 1 4 . 1 1 44 44 SER N N 44 115.560 115.560 115.123 0.437 18770 858 1 4 . 1 1 44 44 SER HA H 44 4.490 4.490 4.174 0.316 18770 859 1 4 . 1 1 44 44 SER C C 44 173.990 173.990 174.081 -0.091 18770 860 1 4 . 1 1 44 44 SER CA C 44 58.750 58.750 59.793 -1.043 18770 861 1 4 . 1 1 44 44 SER H H 44 7.850 7.850 7.812 0.038 18770 862 1 4 . 1 1 45 45 ASP N N 45 123.440 123.440 124.965 -1.525 18770 863 1 4 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.621 -0.111 18770 864 1 4 . 1 1 45 45 ASP C C 45 175.930 175.930 177.305 -1.375 18770 865 1 4 . 1 1 45 45 ASP CA C 45 54.600 54.600 55.859 -1.259 18770 866 1 4 . 1 1 45 45 ASP H H 45 8.330 8.330 8.642 -0.312 18770 867 1 4 . 1 1 46 46 ASP N N 46 121.600 121.600 121.172 0.428 18770 868 1 4 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.768 -0.158 18770 869 1 4 . 1 1 46 46 ASP C C 46 176.040 176.040 174.933 1.107 18770 870 1 4 . 1 1 46 46 ASP CA C 46 54.410 54.410 54.243 0.167 18770 871 1 4 . 1 1 46 46 ASP H H 46 8.260 8.260 8.337 -0.077 18770 872 1 4 . 1 1 47 47 GLU N N 47 123.340 123.340 120.206 3.134 18770 873 1 4 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.534 0.016 18770 874 1 4 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.548 0.132 18770 875 1 4 . 1 1 47 47 GLU H H 47 8.190 8.190 7.501 0.689 18770 876 1 4 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.424 -0.184 18770 877 1 5 . 1 1 3 3 GLY N N 3 108.610 108.610 109.764 -1.154 18770 878 1 5 . 1 1 3 3 GLY C C 3 173.770 173.770 174.115 -0.345 18770 879 1 5 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.009 1.251 18770 880 1 5 . 1 1 3 3 GLY H H 3 8.380 8.380 7.922 0.458 18770 881 1 5 . 1 1 4 4 ILE N N 4 120.930 120.930 121.426 -0.496 18770 882 1 5 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.102 0.288 18770 883 1 5 . 1 1 4 4 ILE C C 4 175.060 175.060 176.350 -1.290 18770 884 1 5 . 1 1 4 4 ILE CA C 4 60.630 60.630 61.062 -0.432 18770 885 1 5 . 1 1 4 4 ILE H H 4 7.660 7.660 8.192 -0.532 18770 886 1 5 . 1 1 5 5 SER N N 5 121.380 121.380 122.082 -0.702 18770 887 1 5 . 1 1 5 5 SER HA H 5 4.720 4.720 4.518 0.202 18770 888 1 5 . 1 1 5 5 SER C C 5 175.650 175.650 175.915 -0.265 18770 889 1 5 . 1 1 5 5 SER CA C 5 57.380 57.380 57.727 -0.347 18770 890 1 5 . 1 1 5 5 SER H H 5 8.210 8.210 8.633 -0.423 18770 891 1 5 . 1 1 6 6 ILE N N 6 123.490 123.490 124.532 -1.042 18770 892 1 5 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.896 -0.086 18770 893 1 5 . 1 1 6 6 ILE C C 6 176.630 176.630 177.276 -0.646 18770 894 1 5 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.508 0.542 18770 895 1 5 . 1 1 6 6 ILE H H 6 9.140 9.140 8.806 0.334 18770 896 1 5 . 1 1 7 7 TRP N N 7 119.410 119.410 120.419 -1.009 18770 897 1 5 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.237 0.183 18770 898 1 5 . 1 1 7 7 TRP C C 7 177.700 177.700 177.615 0.085 18770 899 1 5 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.582 -0.922 18770 900 1 5 . 1 1 7 7 TRP H H 7 7.580 7.580 7.772 -0.192 18770 901 1 5 . 1 1 8 8 GLN N N 8 118.180 118.180 118.813 -0.633 18770 902 1 5 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.093 -0.333 18770 903 1 5 . 1 1 8 8 GLN C C 8 177.770 177.770 178.260 -0.490 18770 904 1 5 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.935 0.565 18770 905 1 5 . 1 1 8 8 GLN H H 8 7.210 7.210 7.782 -0.572 18770 906 1 5 . 1 1 9 9 LEU N N 9 118.440 118.440 119.844 -1.404 18770 907 1 5 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.050 -0.110 18770 908 1 5 . 1 1 9 9 LEU C C 9 178.140 178.140 178.961 -0.821 18770 909 1 5 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.417 0.663 18770 910 1 5 . 1 1 9 9 LEU H H 9 7.740 7.740 7.949 -0.209 18770 911 1 5 . 1 1 10 10 LEU N N 10 118.570 118.570 120.307 -1.737 18770 912 1 5 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.889 0.111 18770 913 1 5 . 1 1 10 10 LEU C C 10 177.920 177.920 179.207 -1.287 18770 914 1 5 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.399 -0.179 18770 915 1 5 . 1 1 10 10 LEU H H 10 8.240 8.240 7.412 0.828 18770 916 1 5 . 1 1 11 11 ILE N N 11 118.100 118.100 119.882 -1.782 18770 917 1 5 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.759 -0.039 18770 918 1 5 . 1 1 11 11 ILE C C 11 177.290 177.290 177.599 -0.309 18770 919 1 5 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.111 0.329 18770 920 1 5 . 1 1 11 11 ILE H H 11 7.750 7.750 7.748 0.002 18770 921 1 5 . 1 1 12 12 ILE N N 12 119.200 119.200 120.059 -0.859 18770 922 1 5 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.607 -0.017 18770 923 1 5 . 1 1 12 12 ILE C C 12 176.920 176.920 177.661 -0.741 18770 924 1 5 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.384 0.286 18770 925 1 5 . 1 1 12 12 ILE H H 12 7.780 7.780 7.666 0.114 18770 926 1 5 . 1 1 13 13 ALA N N 13 121.380 121.380 122.421 -1.041 18770 927 1 5 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.041 -0.171 18770 928 1 5 . 1 1 13 13 ALA C C 13 178.600 178.600 179.698 -1.098 18770 929 1 5 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.395 0.565 18770 930 1 5 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.072 0.568 18770 931 1 5 . 1 1 13 13 ALA H H 13 8.430 8.430 8.387 0.043 18770 932 1 5 . 1 1 14 14 VAL N N 14 116.960 116.960 119.195 -2.235 18770 933 1 5 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.668 -0.188 18770 934 1 5 . 1 1 14 14 VAL C C 14 177.270 177.270 178.110 -0.840 18770 935 1 5 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.852 0.678 18770 936 1 5 . 1 1 14 14 VAL H H 14 8.240 8.240 7.688 0.552 18770 937 1 5 . 1 1 15 15 ILE N N 15 119.670 119.670 120.248 -0.578 18770 938 1 5 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.656 -0.076 18770 939 1 5 . 1 1 15 15 ILE C C 15 177.460 177.460 178.062 -0.602 18770 940 1 5 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.734 0.686 18770 941 1 5 . 1 1 15 15 ILE H H 15 8.110 8.110 7.487 0.623 18770 942 1 5 . 1 1 16 16 VAL N N 16 118.470 118.470 119.857 -1.387 18770 943 1 5 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.806 -0.086 18770 944 1 5 . 1 1 16 16 VAL C C 16 178.120 178.120 178.143 -0.023 18770 945 1 5 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.140 0.690 18770 946 1 5 . 1 1 16 16 VAL H H 16 8.510 8.510 7.628 0.882 18770 947 1 5 . 1 1 17 17 VAL N N 17 120.380 120.380 119.301 1.079 18770 948 1 5 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.697 -0.127 18770 949 1 5 . 1 1 17 17 VAL C C 17 178.080 178.080 178.484 -0.404 18770 950 1 5 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.566 0.964 18770 951 1 5 . 1 1 17 17 VAL H H 17 8.380 8.380 7.589 0.791 18770 952 1 5 . 1 1 18 18 LEU N N 18 120.340 120.340 119.576 0.764 18770 953 1 5 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.958 0.082 18770 954 1 5 . 1 1 18 18 LEU C C 18 177.820 177.820 178.852 -1.032 18770 955 1 5 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.955 0.035 18770 956 1 5 . 1 1 18 18 LEU H H 18 8.360 8.360 7.884 0.476 18770 957 1 5 . 1 1 19 19 LEU N N 19 116.040 116.040 116.723 -0.683 18770 958 1 5 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.996 0.054 18770 959 1 5 . 1 1 19 19 LEU C C 19 178.250 178.250 178.663 -0.413 18770 960 1 5 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.445 -0.175 18770 961 1 5 . 1 1 19 19 LEU H H 19 8.190 8.190 7.984 0.206 18770 962 1 5 . 1 1 20 20 PHE N N 20 114.310 114.310 114.669 -0.359 18770 963 1 5 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.490 -0.480 18770 964 1 5 . 1 1 20 20 PHE C C 20 177.000 177.000 175.776 1.224 18770 965 1 5 . 1 1 20 20 PHE CA C 20 59.230 59.230 58.892 0.338 18770 966 1 5 . 1 1 20 20 PHE H H 20 8.280 8.280 8.029 0.251 18770 967 1 5 . 1 1 21 21 GLY N N 21 109.420 109.420 107.608 1.812 18770 968 1 5 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.685 1.745 18770 969 1 5 . 1 1 21 21 GLY H H 21 8.210 8.210 7.941 0.269 18770 970 1 5 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.341 -0.021 18770 971 1 5 . 1 1 22 22 PRO C C 22 177.640 177.640 178.247 -0.607 18770 972 1 5 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.266 0.734 18770 973 1 5 . 1 1 23 23 LYS N N 23 118.970 118.970 121.448 -2.478 18770 974 1 5 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.059 0.111 18770 975 1 5 . 1 1 23 23 LYS C C 23 178.650 178.650 178.433 0.217 18770 976 1 5 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.502 -0.352 18770 977 1 5 . 1 1 23 23 LYS H H 23 8.450 8.450 8.267 0.183 18770 978 1 5 . 1 1 24 24 LYS N N 24 119.990 119.990 119.250 0.740 18770 979 1 5 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.115 0.215 18770 980 1 5 . 1 1 24 24 LYS C C 24 177.950 177.950 179.077 -1.127 18770 981 1 5 . 1 1 24 24 LYS CA C 24 57.190 57.190 59.240 -2.050 18770 982 1 5 . 1 1 24 24 LYS H H 24 8.160 8.160 7.750 0.410 18770 983 1 5 . 1 1 25 25 LEU N N 25 119.390 119.390 119.829 -0.439 18770 984 1 5 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.076 0.054 18770 985 1 5 . 1 1 25 25 LEU C C 25 177.980 177.980 178.677 -0.697 18770 986 1 5 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.292 -0.162 18770 987 1 5 . 1 1 25 25 LEU H H 25 7.850 7.850 7.684 0.166 18770 988 1 5 . 1 1 26 26 GLY N N 26 105.890 105.890 107.256 -1.366 18770 989 1 5 . 1 1 26 26 GLY C C 26 175.110 175.110 175.938 -0.828 18770 990 1 5 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.283 -0.493 18770 991 1 5 . 1 1 26 26 GLY H H 26 8.280 8.280 7.901 0.379 18770 992 1 5 . 1 1 27 27 SER N N 27 117.000 117.000 117.916 -0.916 18770 993 1 5 . 1 1 27 27 SER HA H 27 4.440 4.440 4.255 0.185 18770 994 1 5 . 1 1 27 27 SER C C 27 175.750 175.750 176.875 -1.125 18770 995 1 5 . 1 1 27 27 SER CA C 27 60.190 60.190 61.659 -1.469 18770 996 1 5 . 1 1 27 27 SER H H 27 8.020 8.020 7.537 0.483 18770 997 1 5 . 1 1 28 28 ILE N N 28 121.650 121.650 121.501 0.149 18770 998 1 5 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.766 0.324 18770 999 1 5 . 1 1 28 28 ILE C C 28 177.040 177.040 177.695 -0.655 18770 1000 1 5 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.169 -1.509 18770 1001 1 5 . 1 1 28 28 ILE H H 28 7.870 7.870 8.188 -0.318 18770 1002 1 5 . 1 1 29 29 GLY N N 29 108.410 108.410 107.437 0.973 18770 1003 1 5 . 1 1 29 29 GLY C C 29 174.580 174.580 176.048 -1.468 18770 1004 1 5 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.121 -0.441 18770 1005 1 5 . 1 1 29 29 GLY H H 29 8.370 8.370 8.314 0.056 18770 1006 1 5 . 1 1 30 30 SER N N 30 116.090 116.090 116.381 -0.291 18770 1007 1 5 . 1 1 30 30 SER HA H 30 4.320 4.320 4.117 0.203 18770 1008 1 5 . 1 1 30 30 SER C C 30 175.830 175.830 175.639 0.191 18770 1009 1 5 . 1 1 30 30 SER CA C 30 60.770 60.770 61.467 -0.697 18770 1010 1 5 . 1 1 30 30 SER H H 30 8.060 8.060 8.170 -0.110 18770 1011 1 5 . 1 1 31 31 ASP N N 31 122.820 122.820 121.287 1.533 18770 1012 1 5 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.457 0.163 18770 1013 1 5 . 1 1 31 31 ASP C C 31 177.690 177.690 179.297 -1.607 18770 1014 1 5 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.553 -0.843 18770 1015 1 5 . 1 1 31 31 ASP H H 31 8.240 8.240 8.012 0.228 18770 1016 1 5 . 1 1 32 32 LEU N N 32 123.090 123.090 119.046 4.044 18770 1017 1 5 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.275 -0.085 18770 1018 1 5 . 1 1 32 32 LEU C C 32 178.580 178.580 178.730 -0.150 18770 1019 1 5 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.219 1.291 18770 1020 1 5 . 1 1 32 32 LEU H H 32 8.390 8.390 8.150 0.240 18770 1021 1 5 . 1 1 33 33 GLY N N 33 107.330 107.330 105.332 1.998 18770 1022 1 5 . 1 1 33 33 GLY C C 33 175.560 175.560 174.556 1.004 18770 1023 1 5 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.470 1.760 18770 1024 1 5 . 1 1 33 33 GLY H H 33 8.560 8.560 8.627 -0.067 18770 1025 1 5 . 1 1 34 34 ALA N N 34 123.920 123.920 124.474 -0.554 18770 1026 1 5 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.074 0.136 18770 1027 1 5 . 1 1 34 34 ALA C C 34 180.040 180.040 179.025 1.015 18770 1028 1 5 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.832 -0.132 18770 1029 1 5 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.723 0.567 18770 1030 1 5 . 1 1 34 34 ALA H H 34 8.090 8.090 7.476 0.614 18770 1031 1 5 . 1 1 35 35 SER N N 35 116.060 116.060 115.314 0.746 18770 1032 1 5 . 1 1 35 35 SER HA H 35 4.400 4.400 4.250 0.150 18770 1033 1 5 . 1 1 35 35 SER C C 35 175.630 175.630 176.701 -1.071 18770 1034 1 5 . 1 1 35 35 SER CA C 35 61.660 61.660 61.365 0.295 18770 1035 1 5 . 1 1 35 35 SER H H 35 8.040 8.040 7.719 0.321 18770 1036 1 5 . 1 1 36 36 ILE N N 36 122.330 122.330 122.232 0.098 18770 1037 1 5 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.632 0.248 18770 1038 1 5 . 1 1 36 36 ILE C C 36 177.330 177.330 177.298 0.032 18770 1039 1 5 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.857 -0.337 18770 1040 1 5 . 1 1 36 36 ILE H H 36 8.280 8.280 7.812 0.468 18770 1041 1 5 . 1 1 37 37 LYS N N 37 121.050 121.050 120.664 0.386 18770 1042 1 5 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.974 0.066 18770 1043 1 5 . 1 1 37 37 LYS C C 37 178.950 178.950 179.048 -0.098 18770 1044 1 5 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.273 -0.543 18770 1045 1 5 . 1 1 37 37 LYS H H 37 8.130 8.130 8.430 -0.300 18770 1046 1 5 . 1 1 38 38 GLY N N 38 107.750 107.750 107.015 0.735 18770 1047 1 5 . 1 1 38 38 GLY C C 38 175.870 175.870 176.366 -0.496 18770 1048 1 5 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.263 -0.632 18770 1049 1 5 . 1 1 38 38 GLY H H 38 8.210 8.210 7.852 0.358 18770 1050 1 5 . 1 1 39 39 PHE N N 39 123.190 123.190 121.929 1.261 18770 1051 1 5 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.228 0.192 18770 1052 1 5 . 1 1 39 39 PHE C C 39 176.510 176.510 177.695 -1.185 18770 1053 1 5 . 1 1 39 39 PHE CA C 39 60.330 60.330 61.147 -0.817 18770 1054 1 5 . 1 1 39 39 PHE H H 39 8.130 8.130 8.028 0.102 18770 1055 1 5 . 1 1 40 40 LYS N N 40 119.830 119.830 119.914 -0.084 18770 1056 1 5 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.904 0.056 18770 1057 1 5 . 1 1 40 40 LYS C C 40 178.330 178.330 178.394 -0.064 18770 1058 1 5 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.962 -0.752 18770 1059 1 5 . 1 1 40 40 LYS H H 40 8.260 8.260 8.637 -0.377 18770 1060 1 5 . 1 1 41 41 LYS N N 41 121.010 121.010 118.667 2.343 18770 1061 1 5 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.053 0.087 18770 1062 1 5 . 1 1 41 41 LYS C C 41 177.790 177.790 179.283 -1.493 18770 1063 1 5 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.249 -0.869 18770 1064 1 5 . 1 1 41 41 LYS H H 41 8.040 8.040 8.127 -0.087 18770 1065 1 5 . 1 1 42 42 ALA N N 42 122.920 122.920 122.687 0.233 18770 1066 1 5 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.085 0.165 18770 1067 1 5 . 1 1 42 42 ALA C C 42 178.430 178.430 179.535 -1.105 18770 1068 1 5 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.741 -0.841 18770 1069 1 5 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.461 1.029 18770 1070 1 5 . 1 1 42 42 ALA H H 42 7.950 7.950 8.386 -0.436 18770 1071 1 5 . 1 1 43 43 MET N N 43 116.170 116.170 116.608 -0.438 18770 1072 1 5 . 1 1 43 43 MET HA H 43 4.450 4.450 4.451 -0.001 18770 1073 1 5 . 1 1 43 43 MET C C 43 176.270 176.270 176.207 0.063 18770 1074 1 5 . 1 1 43 43 MET CA C 43 55.630 55.630 53.865 1.765 18770 1075 1 5 . 1 1 43 43 MET H H 43 7.790 7.790 7.916 -0.126 18770 1076 1 5 . 1 1 44 44 SER N N 44 115.560 115.560 114.514 1.046 18770 1077 1 5 . 1 1 44 44 SER HA H 44 4.490 4.490 4.023 0.467 18770 1078 1 5 . 1 1 44 44 SER C C 44 173.990 173.990 174.917 -0.927 18770 1079 1 5 . 1 1 44 44 SER CA C 44 58.750 58.750 59.857 -1.107 18770 1080 1 5 . 1 1 44 44 SER H H 44 7.850 7.850 7.985 -0.135 18770 1081 1 5 . 1 1 45 45 ASP N N 45 123.440 123.440 119.384 4.056 18770 1082 1 5 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.486 0.024 18770 1083 1 5 . 1 1 45 45 ASP C C 45 175.930 175.930 177.268 -1.338 18770 1084 1 5 . 1 1 45 45 ASP CA C 45 54.600 54.600 56.404 -1.804 18770 1085 1 5 . 1 1 45 45 ASP H H 45 8.330 8.330 7.586 0.744 18770 1086 1 5 . 1 1 46 46 ASP N N 46 121.600 121.600 121.098 0.502 18770 1087 1 5 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.411 0.199 18770 1088 1 5 . 1 1 46 46 ASP C C 46 176.040 176.040 175.330 0.710 18770 1089 1 5 . 1 1 46 46 ASP CA C 46 54.410 54.410 55.631 -1.221 18770 1090 1 5 . 1 1 46 46 ASP H H 46 8.260 8.260 7.793 0.467 18770 1091 1 5 . 1 1 47 47 GLU N N 47 123.340 123.340 119.469 3.871 18770 1092 1 5 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.201 0.349 18770 1093 1 5 . 1 1 47 47 GLU CA C 47 54.680 54.680 56.193 -1.513 18770 1094 1 5 . 1 1 47 47 GLU H H 47 8.190 8.190 8.507 -0.317 18770 1095 1 5 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.564 -0.324 18770 1096 1 6 . 1 1 3 3 GLY N N 3 108.610 108.610 107.017 1.593 18770 1097 1 6 . 1 1 3 3 GLY C C 3 173.770 173.770 175.294 -1.524 18770 1098 1 6 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.858 0.401 18770 1099 1 6 . 1 1 3 3 GLY H H 3 8.380 8.380 8.237 0.143 18770 1100 1 6 . 1 1 4 4 ILE N N 4 120.930 120.930 120.028 0.902 18770 1101 1 6 . 1 1 4 4 ILE HA H 4 4.390 4.390 3.996 0.394 18770 1102 1 6 . 1 1 4 4 ILE C C 4 175.060 175.060 176.301 -1.241 18770 1103 1 6 . 1 1 4 4 ILE CA C 4 60.630 60.630 61.964 -1.334 18770 1104 1 6 . 1 1 4 4 ILE H H 4 7.660 7.660 8.083 -0.423 18770 1105 1 6 . 1 1 5 5 SER N N 5 121.380 121.380 115.655 5.725 18770 1106 1 6 . 1 1 5 5 SER HA H 5 4.720 4.720 4.456 0.264 18770 1107 1 6 . 1 1 5 5 SER C C 5 175.650 175.650 175.694 -0.044 18770 1108 1 6 . 1 1 5 5 SER CA C 5 57.380 57.380 57.709 -0.329 18770 1109 1 6 . 1 1 5 5 SER H H 5 8.210 8.210 7.723 0.487 18770 1110 1 6 . 1 1 6 6 ILE N N 6 123.490 123.490 127.774 -4.284 18770 1111 1 6 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.911 -0.101 18770 1112 1 6 . 1 1 6 6 ILE C C 6 176.630 176.630 177.487 -0.857 18770 1113 1 6 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.455 0.595 18770 1114 1 6 . 1 1 6 6 ILE H H 6 9.140 9.140 8.788 0.352 18770 1115 1 6 . 1 1 7 7 TRP N N 7 119.410 119.410 120.367 -0.957 18770 1116 1 6 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.244 0.176 18770 1117 1 6 . 1 1 7 7 TRP C C 7 177.700 177.700 177.703 -0.003 18770 1118 1 6 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.633 -0.973 18770 1119 1 6 . 1 1 7 7 TRP H H 7 7.580 7.580 7.984 -0.404 18770 1120 1 6 . 1 1 8 8 GLN N N 8 118.180 118.180 118.449 -0.269 18770 1121 1 6 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.133 -0.373 18770 1122 1 6 . 1 1 8 8 GLN C C 8 177.770 177.770 178.066 -0.296 18770 1123 1 6 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.770 0.730 18770 1124 1 6 . 1 1 8 8 GLN H H 8 7.210 7.210 7.747 -0.537 18770 1125 1 6 . 1 1 9 9 LEU N N 9 118.440 118.440 119.740 -1.300 18770 1126 1 6 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.042 -0.102 18770 1127 1 6 . 1 1 9 9 LEU C C 9 178.140 178.140 178.881 -0.741 18770 1128 1 6 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.513 0.567 18770 1129 1 6 . 1 1 9 9 LEU H H 9 7.740 7.740 7.936 -0.196 18770 1130 1 6 . 1 1 10 10 LEU N N 10 118.570 118.570 120.320 -1.750 18770 1131 1 6 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.884 0.116 18770 1132 1 6 . 1 1 10 10 LEU C C 10 177.920 177.920 179.155 -1.235 18770 1133 1 6 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.451 -0.231 18770 1134 1 6 . 1 1 10 10 LEU H H 10 8.240 8.240 7.385 0.855 18770 1135 1 6 . 1 1 11 11 ILE N N 11 118.100 118.100 119.937 -1.837 18770 1136 1 6 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.746 -0.026 18770 1137 1 6 . 1 1 11 11 ILE C C 11 177.290 177.290 177.654 -0.364 18770 1138 1 6 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.341 0.099 18770 1139 1 6 . 1 1 11 11 ILE H H 11 7.750 7.750 7.827 -0.077 18770 1140 1 6 . 1 1 12 12 ILE N N 12 119.200 119.200 119.976 -0.776 18770 1141 1 6 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.617 -0.027 18770 1142 1 6 . 1 1 12 12 ILE C C 12 176.920 176.920 177.650 -0.730 18770 1143 1 6 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.468 0.202 18770 1144 1 6 . 1 1 12 12 ILE H H 12 7.780 7.780 7.677 0.103 18770 1145 1 6 . 1 1 13 13 ALA N N 13 121.380 121.380 122.770 -1.390 18770 1146 1 6 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.056 -0.186 18770 1147 1 6 . 1 1 13 13 ALA C C 13 178.600 178.600 179.744 -1.144 18770 1148 1 6 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.465 0.495 18770 1149 1 6 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.138 0.502 18770 1150 1 6 . 1 1 13 13 ALA H H 13 8.430 8.430 8.448 -0.018 18770 1151 1 6 . 1 1 14 14 VAL N N 14 116.960 116.960 119.294 -2.334 18770 1152 1 6 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.668 -0.188 18770 1153 1 6 . 1 1 14 14 VAL C C 14 177.270 177.270 178.198 -0.928 18770 1154 1 6 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.997 0.533 18770 1155 1 6 . 1 1 14 14 VAL H H 14 8.240 8.240 8.143 0.097 18770 1156 1 6 . 1 1 15 15 ILE N N 15 119.670 119.670 120.360 -0.690 18770 1157 1 6 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.658 -0.078 18770 1158 1 6 . 1 1 15 15 ILE C C 15 177.460 177.460 178.109 -0.649 18770 1159 1 6 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.843 0.577 18770 1160 1 6 . 1 1 15 15 ILE H H 15 8.110 8.110 7.977 0.133 18770 1161 1 6 . 1 1 16 16 VAL N N 16 118.470 118.470 119.863 -1.393 18770 1162 1 6 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.796 -0.076 18770 1163 1 6 . 1 1 16 16 VAL C C 16 178.120 178.120 178.086 0.034 18770 1164 1 6 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.393 0.437 18770 1165 1 6 . 1 1 16 16 VAL H H 16 8.510 8.510 7.866 0.644 18770 1166 1 6 . 1 1 17 17 VAL N N 17 120.380 120.380 119.458 0.922 18770 1167 1 6 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.608 -0.038 18770 1168 1 6 . 1 1 17 17 VAL C C 17 178.080 178.080 178.387 -0.307 18770 1169 1 6 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.793 0.737 18770 1170 1 6 . 1 1 17 17 VAL H H 17 8.380 8.380 7.763 0.617 18770 1171 1 6 . 1 1 18 18 LEU N N 18 120.340 120.340 119.531 0.809 18770 1172 1 6 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.944 0.096 18770 1173 1 6 . 1 1 18 18 LEU C C 18 177.820 177.820 178.795 -0.975 18770 1174 1 6 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.943 0.047 18770 1175 1 6 . 1 1 18 18 LEU H H 18 8.360 8.360 7.932 0.428 18770 1176 1 6 . 1 1 19 19 LEU N N 19 116.040 116.040 116.689 -0.649 18770 1177 1 6 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.972 0.078 18770 1178 1 6 . 1 1 19 19 LEU C C 19 178.250 178.250 178.414 -0.164 18770 1179 1 6 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.297 -0.027 18770 1180 1 6 . 1 1 19 19 LEU H H 19 8.190 8.190 7.975 0.215 18770 1181 1 6 . 1 1 20 20 PHE N N 20 114.310 114.310 114.418 -0.108 18770 1182 1 6 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.493 -0.483 18770 1183 1 6 . 1 1 20 20 PHE C C 20 177.000 177.000 175.634 1.366 18770 1184 1 6 . 1 1 20 20 PHE CA C 20 59.230 59.230 58.840 0.390 18770 1185 1 6 . 1 1 20 20 PHE H H 20 8.280 8.280 8.036 0.244 18770 1186 1 6 . 1 1 21 21 GLY N N 21 109.420 109.420 107.620 1.800 18770 1187 1 6 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.738 1.692 18770 1188 1 6 . 1 1 21 21 GLY H H 21 8.210 8.210 7.945 0.265 18770 1189 1 6 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.354 -0.034 18770 1190 1 6 . 1 1 22 22 PRO C C 22 177.640 177.640 178.532 -0.892 18770 1191 1 6 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.581 0.419 18770 1192 1 6 . 1 1 23 23 LYS N N 23 118.970 118.970 119.775 -0.805 18770 1193 1 6 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.031 0.139 18770 1194 1 6 . 1 1 23 23 LYS C C 23 178.650 178.650 178.572 0.078 18770 1195 1 6 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.398 -0.248 18770 1196 1 6 . 1 1 23 23 LYS H H 23 8.450 8.450 8.256 0.194 18770 1197 1 6 . 1 1 24 24 LYS N N 24 119.990 119.990 119.048 0.942 18770 1198 1 6 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.129 0.201 18770 1199 1 6 . 1 1 24 24 LYS C C 24 177.950 177.950 179.018 -1.068 18770 1200 1 6 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.854 -1.664 18770 1201 1 6 . 1 1 24 24 LYS H H 24 8.160 8.160 7.700 0.460 18770 1202 1 6 . 1 1 25 25 LEU N N 25 119.390 119.390 120.195 -0.805 18770 1203 1 6 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.051 0.079 18770 1204 1 6 . 1 1 25 25 LEU C C 25 177.980 177.980 178.670 -0.690 18770 1205 1 6 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.729 -0.599 18770 1206 1 6 . 1 1 25 25 LEU H H 25 7.850 7.850 7.714 0.136 18770 1207 1 6 . 1 1 26 26 GLY N N 26 105.890 105.890 107.068 -1.178 18770 1208 1 6 . 1 1 26 26 GLY C C 26 175.110 175.110 175.935 -0.825 18770 1209 1 6 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.467 -0.676 18770 1210 1 6 . 1 1 26 26 GLY H H 26 8.280 8.280 8.010 0.270 18770 1211 1 6 . 1 1 27 27 SER N N 27 117.000 117.000 118.524 -1.524 18770 1212 1 6 . 1 1 27 27 SER HA H 27 4.440 4.440 4.197 0.243 18770 1213 1 6 . 1 1 27 27 SER C C 27 175.750 175.750 176.654 -0.904 18770 1214 1 6 . 1 1 27 27 SER CA C 27 60.190 60.190 62.541 -2.351 18770 1215 1 6 . 1 1 27 27 SER H H 27 8.020 8.020 7.597 0.423 18770 1216 1 6 . 1 1 28 28 ILE N N 28 121.650 121.650 122.295 -0.645 18770 1217 1 6 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.720 0.370 18770 1218 1 6 . 1 1 28 28 ILE C C 28 177.040 177.040 177.947 -0.907 18770 1219 1 6 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.450 -1.790 18770 1220 1 6 . 1 1 28 28 ILE H H 28 7.870 7.870 8.478 -0.608 18770 1221 1 6 . 1 1 29 29 GLY N N 29 108.410 108.410 107.992 0.418 18770 1222 1 6 . 1 1 29 29 GLY C C 29 174.580 174.580 176.214 -1.634 18770 1223 1 6 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.450 -0.770 18770 1224 1 6 . 1 1 29 29 GLY H H 29 8.370 8.370 8.457 -0.087 18770 1225 1 6 . 1 1 30 30 SER N N 30 116.090 116.090 117.099 -1.009 18770 1226 1 6 . 1 1 30 30 SER HA H 30 4.320 4.320 4.154 0.166 18770 1227 1 6 . 1 1 30 30 SER C C 30 175.830 175.830 175.968 -0.138 18770 1228 1 6 . 1 1 30 30 SER CA C 30 60.770 60.770 61.410 -0.640 18770 1229 1 6 . 1 1 30 30 SER H H 30 8.060 8.060 8.167 -0.107 18770 1230 1 6 . 1 1 31 31 ASP N N 31 122.820 122.820 120.004 2.816 18770 1231 1 6 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.583 0.037 18770 1232 1 6 . 1 1 31 31 ASP C C 31 177.690 177.690 178.718 -1.028 18770 1233 1 6 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.456 -0.746 18770 1234 1 6 . 1 1 31 31 ASP H H 31 8.240 8.240 8.123 0.117 18770 1235 1 6 . 1 1 32 32 LEU N N 32 123.090 123.090 119.229 3.861 18770 1236 1 6 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.314 -0.124 18770 1237 1 6 . 1 1 32 32 LEU C C 32 178.580 178.580 179.115 -0.535 18770 1238 1 6 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.078 1.432 18770 1239 1 6 . 1 1 32 32 LEU H H 32 8.390 8.390 8.265 0.125 18770 1240 1 6 . 1 1 33 33 GLY N N 33 107.330 107.330 106.203 1.127 18770 1241 1 6 . 1 1 33 33 GLY C C 33 175.560 175.560 174.404 1.156 18770 1242 1 6 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.423 1.807 18770 1243 1 6 . 1 1 33 33 GLY H H 33 8.560 8.560 8.275 0.285 18770 1244 1 6 . 1 1 34 34 ALA N N 34 123.920 123.920 124.003 -0.083 18770 1245 1 6 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.144 0.066 18770 1246 1 6 . 1 1 34 34 ALA C C 34 180.040 180.040 179.186 0.854 18770 1247 1 6 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.947 -0.247 18770 1248 1 6 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.378 0.912 18770 1249 1 6 . 1 1 34 34 ALA H H 34 8.090 8.090 7.528 0.562 18770 1250 1 6 . 1 1 35 35 SER N N 35 116.060 116.060 114.407 1.653 18770 1251 1 6 . 1 1 35 35 SER HA H 35 4.400 4.400 4.265 0.135 18770 1252 1 6 . 1 1 35 35 SER C C 35 175.630 175.630 176.527 -0.897 18770 1253 1 6 . 1 1 35 35 SER CA C 35 61.660 61.660 61.273 0.387 18770 1254 1 6 . 1 1 35 35 SER H H 35 8.040 8.040 7.724 0.316 18770 1255 1 6 . 1 1 36 36 ILE N N 36 122.330 122.330 121.934 0.396 18770 1256 1 6 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.528 0.352 18770 1257 1 6 . 1 1 36 36 ILE C C 36 177.330 177.330 177.251 0.079 18770 1258 1 6 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.684 -0.164 18770 1259 1 6 . 1 1 36 36 ILE H H 36 8.280 8.280 7.934 0.346 18770 1260 1 6 . 1 1 37 37 LYS N N 37 121.050 121.050 120.621 0.429 18770 1261 1 6 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.977 0.063 18770 1262 1 6 . 1 1 37 37 LYS C C 37 178.950 178.950 179.108 -0.158 18770 1263 1 6 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.145 -0.416 18770 1264 1 6 . 1 1 37 37 LYS H H 37 8.130 8.130 8.091 0.039 18770 1265 1 6 . 1 1 38 38 GLY N N 38 107.750 107.750 106.981 0.769 18770 1266 1 6 . 1 1 38 38 GLY C C 38 175.870 175.870 176.418 -0.548 18770 1267 1 6 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.187 -0.557 18770 1268 1 6 . 1 1 38 38 GLY H H 38 8.210 8.210 7.770 0.440 18770 1269 1 6 . 1 1 39 39 PHE N N 39 123.190 123.190 122.035 1.155 18770 1270 1 6 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.176 0.244 18770 1271 1 6 . 1 1 39 39 PHE C C 39 176.510 176.510 177.687 -1.177 18770 1272 1 6 . 1 1 39 39 PHE CA C 39 60.330 60.330 61.081 -0.751 18770 1273 1 6 . 1 1 39 39 PHE H H 39 8.130 8.130 8.007 0.123 18770 1274 1 6 . 1 1 40 40 LYS N N 40 119.830 119.830 119.306 0.524 18770 1275 1 6 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.983 -0.023 18770 1276 1 6 . 1 1 40 40 LYS C C 40 178.330 178.330 177.729 0.601 18770 1277 1 6 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.298 -0.088 18770 1278 1 6 . 1 1 40 40 LYS H H 40 8.260 8.260 8.303 -0.043 18770 1279 1 6 . 1 1 41 41 LYS N N 41 121.010 121.010 117.387 3.623 18770 1280 1 6 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.108 0.032 18770 1281 1 6 . 1 1 41 41 LYS C C 41 177.790 177.790 179.206 -1.416 18770 1282 1 6 . 1 1 41 41 LYS CA C 41 58.380 58.380 58.803 -0.423 18770 1283 1 6 . 1 1 41 41 LYS H H 41 8.040 8.040 7.889 0.151 18770 1284 1 6 . 1 1 42 42 ALA N N 42 122.920 122.920 122.352 0.568 18770 1285 1 6 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.036 0.214 18770 1286 1 6 . 1 1 42 42 ALA C C 42 178.430 178.430 178.812 -0.382 18770 1287 1 6 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.702 -0.802 18770 1288 1 6 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.619 0.871 18770 1289 1 6 . 1 1 42 42 ALA H H 42 7.950 7.950 8.084 -0.134 18770 1290 1 6 . 1 1 43 43 MET N N 43 116.170 116.170 115.576 0.594 18770 1291 1 6 . 1 1 43 43 MET HA H 43 4.450 4.450 4.381 0.069 18770 1292 1 6 . 1 1 43 43 MET C C 43 176.270 176.270 176.997 -0.727 18770 1293 1 6 . 1 1 43 43 MET CA C 43 55.630 55.630 54.284 1.346 18770 1294 1 6 . 1 1 43 43 MET H H 43 7.790 7.790 7.692 0.098 18770 1295 1 6 . 1 1 44 44 SER N N 44 115.560 115.560 116.129 -0.569 18770 1296 1 6 . 1 1 44 44 SER HA H 44 4.490 4.490 4.405 0.085 18770 1297 1 6 . 1 1 44 44 SER C C 44 173.990 173.990 174.206 -0.216 18770 1298 1 6 . 1 1 44 44 SER CA C 44 58.750 58.750 57.814 0.936 18770 1299 1 6 . 1 1 44 44 SER H H 44 7.850 7.850 7.840 0.010 18770 1300 1 6 . 1 1 45 45 ASP N N 45 123.440 123.440 122.429 1.011 18770 1301 1 6 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.534 -0.024 18770 1302 1 6 . 1 1 45 45 ASP C C 45 175.930 175.930 176.696 -0.766 18770 1303 1 6 . 1 1 45 45 ASP CA C 45 54.600 54.600 56.328 -1.728 18770 1304 1 6 . 1 1 45 45 ASP H H 45 8.330 8.330 8.121 0.209 18770 1305 1 6 . 1 1 46 46 ASP N N 46 121.600 121.600 116.424 5.176 18770 1306 1 6 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.804 -0.194 18770 1307 1 6 . 1 1 46 46 ASP C C 46 176.040 176.040 174.249 1.791 18770 1308 1 6 . 1 1 46 46 ASP CA C 46 54.410 54.410 53.822 0.588 18770 1309 1 6 . 1 1 46 46 ASP H H 46 8.260 8.260 8.039 0.221 18770 1310 1 6 . 1 1 47 47 GLU N N 47 123.340 123.340 120.532 2.808 18770 1311 1 6 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.611 -0.061 18770 1312 1 6 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.795 -0.115 18770 1313 1 6 . 1 1 47 47 GLU H H 47 8.190 8.190 8.306 -0.116 18770 1314 1 6 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.709 -0.469 18770 1315 1 7 . 1 1 3 3 GLY N N 3 108.610 108.610 109.587 -0.977 18770 1316 1 7 . 1 1 3 3 GLY C C 3 173.770 173.770 175.117 -1.347 18770 1317 1 7 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.442 0.818 18770 1318 1 7 . 1 1 3 3 GLY H H 3 8.380 8.380 8.540 -0.160 18770 1319 1 7 . 1 1 4 4 ILE N N 4 120.930 120.930 118.913 2.017 18770 1320 1 7 . 1 1 4 4 ILE HA H 4 4.390 4.390 3.916 0.474 18770 1321 1 7 . 1 1 4 4 ILE C C 4 175.060 175.060 176.367 -1.307 18770 1322 1 7 . 1 1 4 4 ILE CA C 4 60.630 60.630 62.283 -1.653 18770 1323 1 7 . 1 1 4 4 ILE H H 4 7.660 7.660 7.693 -0.033 18770 1324 1 7 . 1 1 5 5 SER N N 5 121.380 121.380 115.325 6.055 18770 1325 1 7 . 1 1 5 5 SER HA H 5 4.720 4.720 4.405 0.315 18770 1326 1 7 . 1 1 5 5 SER C C 5 175.650 175.650 175.878 -0.228 18770 1327 1 7 . 1 1 5 5 SER CA C 5 57.380 57.380 58.093 -0.713 18770 1328 1 7 . 1 1 5 5 SER H H 5 8.210 8.210 7.769 0.441 18770 1329 1 7 . 1 1 6 6 ILE N N 6 123.490 123.490 127.926 -4.436 18770 1330 1 7 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.931 -0.121 18770 1331 1 7 . 1 1 6 6 ILE C C 6 176.630 176.630 177.210 -0.580 18770 1332 1 7 . 1 1 6 6 ILE CA C 6 64.050 64.050 64.068 -0.018 18770 1333 1 7 . 1 1 6 6 ILE H H 6 9.140 9.140 8.727 0.413 18770 1334 1 7 . 1 1 7 7 TRP N N 7 119.410 119.410 119.542 -0.132 18770 1335 1 7 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.269 0.151 18770 1336 1 7 . 1 1 7 7 TRP C C 7 177.700 177.700 178.212 -0.512 18770 1337 1 7 . 1 1 7 7 TRP CA C 7 59.660 59.660 61.629 -1.969 18770 1338 1 7 . 1 1 7 7 TRP H H 7 7.580 7.580 8.052 -0.472 18770 1339 1 7 . 1 1 8 8 GLN N N 8 118.180 118.180 117.544 0.636 18770 1340 1 7 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.136 -0.376 18770 1341 1 7 . 1 1 8 8 GLN C C 8 177.770 177.770 178.567 -0.797 18770 1342 1 7 . 1 1 8 8 GLN CA C 8 59.500 59.500 59.005 0.495 18770 1343 1 7 . 1 1 8 8 GLN H H 8 7.210 7.210 7.797 -0.587 18770 1344 1 7 . 1 1 9 9 LEU N N 9 118.440 118.440 119.991 -1.551 18770 1345 1 7 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.076 -0.136 18770 1346 1 7 . 1 1 9 9 LEU C C 9 178.140 178.140 178.931 -0.791 18770 1347 1 7 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.179 0.901 18770 1348 1 7 . 1 1 9 9 LEU H H 9 7.740 7.740 7.406 0.334 18770 1349 1 7 . 1 1 10 10 LEU N N 10 118.570 118.570 121.001 -2.431 18770 1350 1 7 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.822 0.178 18770 1351 1 7 . 1 1 10 10 LEU C C 10 177.920 177.920 178.660 -0.740 18770 1352 1 7 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.243 -0.023 18770 1353 1 7 . 1 1 10 10 LEU H H 10 8.240 8.240 7.867 0.373 18770 1354 1 7 . 1 1 11 11 ILE N N 11 118.100 118.100 119.585 -1.485 18770 1355 1 7 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.606 0.114 18770 1356 1 7 . 1 1 11 11 ILE C C 11 177.290 177.290 177.564 -0.274 18770 1357 1 7 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.129 0.311 18770 1358 1 7 . 1 1 11 11 ILE H H 11 7.750 7.750 7.628 0.122 18770 1359 1 7 . 1 1 12 12 ILE N N 12 119.200 119.200 119.851 -0.651 18770 1360 1 7 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.588 0.002 18770 1361 1 7 . 1 1 12 12 ILE C C 12 176.920 176.920 177.589 -0.669 18770 1362 1 7 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.409 0.261 18770 1363 1 7 . 1 1 12 12 ILE H H 12 7.780 7.780 7.430 0.350 18770 1364 1 7 . 1 1 13 13 ALA N N 13 121.380 121.380 122.513 -1.133 18770 1365 1 7 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.009 -0.139 18770 1366 1 7 . 1 1 13 13 ALA C C 13 178.600 178.600 179.580 -0.980 18770 1367 1 7 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.330 0.630 18770 1368 1 7 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.030 0.610 18770 1369 1 7 . 1 1 13 13 ALA H H 13 8.430 8.430 8.175 0.255 18770 1370 1 7 . 1 1 14 14 VAL N N 14 116.960 116.960 119.249 -2.289 18770 1371 1 7 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.526 -0.046 18770 1372 1 7 . 1 1 14 14 VAL C C 14 177.270 177.270 177.951 -0.681 18770 1373 1 7 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.700 0.830 18770 1374 1 7 . 1 1 14 14 VAL H H 14 8.240 8.240 7.818 0.422 18770 1375 1 7 . 1 1 15 15 ILE N N 15 119.670 119.670 120.344 -0.674 18770 1376 1 7 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.626 -0.046 18770 1377 1 7 . 1 1 15 15 ILE C C 15 177.460 177.460 177.898 -0.438 18770 1378 1 7 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.641 0.779 18770 1379 1 7 . 1 1 15 15 ILE H H 15 8.110 8.110 7.764 0.346 18770 1380 1 7 . 1 1 16 16 VAL N N 16 118.470 118.470 119.789 -1.319 18770 1381 1 7 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.771 -0.051 18770 1382 1 7 . 1 1 16 16 VAL C C 16 178.120 178.120 178.037 0.083 18770 1383 1 7 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.421 0.409 18770 1384 1 7 . 1 1 16 16 VAL H H 16 8.510 8.510 7.770 0.740 18770 1385 1 7 . 1 1 17 17 VAL N N 17 120.380 120.380 119.340 1.040 18770 1386 1 7 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.593 -0.023 18770 1387 1 7 . 1 1 17 17 VAL C C 17 178.080 178.080 178.349 -0.269 18770 1388 1 7 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.763 0.767 18770 1389 1 7 . 1 1 17 17 VAL H H 17 8.380 8.380 7.469 0.911 18770 1390 1 7 . 1 1 18 18 LEU N N 18 120.340 120.340 119.569 0.771 18770 1391 1 7 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.928 0.112 18770 1392 1 7 . 1 1 18 18 LEU C C 18 177.820 177.820 178.819 -0.999 18770 1393 1 7 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.941 0.049 18770 1394 1 7 . 1 1 18 18 LEU H H 18 8.360 8.360 7.787 0.573 18770 1395 1 7 . 1 1 19 19 LEU N N 19 116.040 116.040 116.884 -0.844 18770 1396 1 7 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.970 0.080 18770 1397 1 7 . 1 1 19 19 LEU C C 19 178.250 178.250 178.655 -0.405 18770 1398 1 7 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.454 -0.184 18770 1399 1 7 . 1 1 19 19 LEU H H 19 8.190 8.190 8.009 0.181 18770 1400 1 7 . 1 1 20 20 PHE N N 20 114.310 114.310 114.632 -0.322 18770 1401 1 7 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.475 -0.465 18770 1402 1 7 . 1 1 20 20 PHE C C 20 177.000 177.000 175.872 1.128 18770 1403 1 7 . 1 1 20 20 PHE CA C 20 59.230 59.230 58.998 0.232 18770 1404 1 7 . 1 1 20 20 PHE H H 20 8.280 8.280 8.043 0.237 18770 1405 1 7 . 1 1 21 21 GLY N N 21 109.420 109.420 107.517 1.903 18770 1406 1 7 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.726 1.704 18770 1407 1 7 . 1 1 21 21 GLY H H 21 8.210 8.210 7.993 0.217 18770 1408 1 7 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.297 0.023 18770 1409 1 7 . 1 1 22 22 PRO C C 22 177.640 177.640 178.405 -0.765 18770 1410 1 7 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.502 0.498 18770 1411 1 7 . 1 1 23 23 LYS N N 23 118.970 118.970 121.101 -2.131 18770 1412 1 7 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.059 0.111 18770 1413 1 7 . 1 1 23 23 LYS C C 23 178.650 178.650 178.531 0.119 18770 1414 1 7 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.410 -0.260 18770 1415 1 7 . 1 1 23 23 LYS H H 23 8.450 8.450 8.278 0.172 18770 1416 1 7 . 1 1 24 24 LYS N N 24 119.990 119.990 119.314 0.676 18770 1417 1 7 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.113 0.217 18770 1418 1 7 . 1 1 24 24 LYS C C 24 177.950 177.950 179.047 -1.097 18770 1419 1 7 . 1 1 24 24 LYS CA C 24 57.190 57.190 59.195 -2.005 18770 1420 1 7 . 1 1 24 24 LYS H H 24 8.160 8.160 7.597 0.563 18770 1421 1 7 . 1 1 25 25 LEU N N 25 119.390 119.390 120.373 -0.983 18770 1422 1 7 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.031 0.099 18770 1423 1 7 . 1 1 25 25 LEU C C 25 177.980 177.980 178.241 -0.261 18770 1424 1 7 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.553 -0.423 18770 1425 1 7 . 1 1 25 25 LEU H H 25 7.850 7.850 7.585 0.265 18770 1426 1 7 . 1 1 26 26 GLY N N 26 105.890 105.890 106.812 -0.922 18770 1427 1 7 . 1 1 26 26 GLY C C 26 175.110 175.110 175.598 -0.488 18770 1428 1 7 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.741 -0.951 18770 1429 1 7 . 1 1 26 26 GLY H H 26 8.280 8.280 7.967 0.313 18770 1430 1 7 . 1 1 27 27 SER N N 27 117.000 117.000 117.669 -0.669 18770 1431 1 7 . 1 1 27 27 SER HA H 27 4.440 4.440 4.158 0.282 18770 1432 1 7 . 1 1 27 27 SER C C 27 175.750 175.750 176.763 -1.013 18770 1433 1 7 . 1 1 27 27 SER CA C 27 60.190 60.190 61.221 -1.031 18770 1434 1 7 . 1 1 27 27 SER H H 27 8.020 8.020 7.546 0.474 18770 1435 1 7 . 1 1 28 28 ILE N N 28 121.650 121.650 123.330 -1.680 18770 1436 1 7 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.803 0.287 18770 1437 1 7 . 1 1 28 28 ILE C C 28 177.040 177.040 178.243 -1.203 18770 1438 1 7 . 1 1 28 28 ILE CA C 28 63.660 63.660 64.942 -1.282 18770 1439 1 7 . 1 1 28 28 ILE H H 28 7.870 7.870 7.886 -0.016 18770 1440 1 7 . 1 1 29 29 GLY N N 29 108.410 108.410 107.639 0.771 18770 1441 1 7 . 1 1 29 29 GLY C C 29 174.580 174.580 176.078 -1.498 18770 1442 1 7 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.367 -0.687 18770 1443 1 7 . 1 1 29 29 GLY H H 29 8.370 8.370 8.310 0.060 18770 1444 1 7 . 1 1 30 30 SER N N 30 116.090 116.090 117.682 -1.592 18770 1445 1 7 . 1 1 30 30 SER HA H 30 4.320 4.320 4.005 0.315 18770 1446 1 7 . 1 1 30 30 SER C C 30 175.830 175.830 176.672 -0.842 18770 1447 1 7 . 1 1 30 30 SER CA C 30 60.770 60.770 61.609 -0.839 18770 1448 1 7 . 1 1 30 30 SER H H 30 8.060 8.060 8.156 -0.096 18770 1449 1 7 . 1 1 31 31 ASP N N 31 122.820 122.820 122.304 0.516 18770 1450 1 7 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.451 0.169 18770 1451 1 7 . 1 1 31 31 ASP C C 31 177.690 177.690 178.843 -1.153 18770 1452 1 7 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.948 -1.238 18770 1453 1 7 . 1 1 31 31 ASP H H 31 8.240 8.240 7.991 0.249 18770 1454 1 7 . 1 1 32 32 LEU N N 32 123.090 123.090 119.521 3.569 18770 1455 1 7 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.322 -0.132 18770 1456 1 7 . 1 1 32 32 LEU C C 32 178.580 178.580 178.829 -0.249 18770 1457 1 7 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.036 1.474 18770 1458 1 7 . 1 1 32 32 LEU H H 32 8.390 8.390 7.963 0.427 18770 1459 1 7 . 1 1 33 33 GLY N N 33 107.330 107.330 107.184 0.146 18770 1460 1 7 . 1 1 33 33 GLY C C 33 175.560 175.560 174.983 0.577 18770 1461 1 7 . 1 1 33 33 GLY CA C 33 47.230 47.230 47.065 0.165 18770 1462 1 7 . 1 1 33 33 GLY H H 33 8.560 8.560 8.323 0.237 18770 1463 1 7 . 1 1 34 34 ALA N N 34 123.920 123.920 123.277 0.643 18770 1464 1 7 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.148 0.062 18770 1465 1 7 . 1 1 34 34 ALA C C 34 180.040 180.040 179.679 0.361 18770 1466 1 7 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.903 -0.203 18770 1467 1 7 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.425 0.865 18770 1468 1 7 . 1 1 34 34 ALA H H 34 8.090 8.090 7.598 0.492 18770 1469 1 7 . 1 1 35 35 SER N N 35 116.060 116.060 115.550 0.510 18770 1470 1 7 . 1 1 35 35 SER HA H 35 4.400 4.400 4.254 0.146 18770 1471 1 7 . 1 1 35 35 SER C C 35 175.630 175.630 176.769 -1.139 18770 1472 1 7 . 1 1 35 35 SER CA C 35 61.660 61.660 61.286 0.374 18770 1473 1 7 . 1 1 35 35 SER H H 35 8.040 8.040 7.512 0.528 18770 1474 1 7 . 1 1 36 36 ILE N N 36 122.330 122.330 122.963 -0.633 18770 1475 1 7 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.519 0.361 18770 1476 1 7 . 1 1 36 36 ILE C C 36 177.330 177.330 177.247 0.083 18770 1477 1 7 . 1 1 36 36 ILE CA C 36 64.520 64.520 65.532 -1.012 18770 1478 1 7 . 1 1 36 36 ILE H H 36 8.280 8.280 7.550 0.730 18770 1479 1 7 . 1 1 37 37 LYS N N 37 121.050 121.050 120.620 0.430 18770 1480 1 7 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.977 0.063 18770 1481 1 7 . 1 1 37 37 LYS C C 37 178.950 178.950 179.123 -0.173 18770 1482 1 7 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.255 -0.525 18770 1483 1 7 . 1 1 37 37 LYS H H 37 8.130 8.130 8.444 -0.314 18770 1484 1 7 . 1 1 38 38 GLY N N 38 107.750 107.750 107.021 0.729 18770 1485 1 7 . 1 1 38 38 GLY C C 38 175.870 175.870 176.357 -0.487 18770 1486 1 7 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.164 -0.534 18770 1487 1 7 . 1 1 38 38 GLY H H 38 8.210 8.210 7.783 0.427 18770 1488 1 7 . 1 1 39 39 PHE N N 39 123.190 123.190 122.123 1.067 18770 1489 1 7 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.222 0.198 18770 1490 1 7 . 1 1 39 39 PHE C C 39 176.510 176.510 177.541 -1.031 18770 1491 1 7 . 1 1 39 39 PHE CA C 39 60.330 60.330 61.109 -0.779 18770 1492 1 7 . 1 1 39 39 PHE H H 39 8.130 8.130 8.044 0.086 18770 1493 1 7 . 1 1 40 40 LYS N N 40 119.830 119.830 119.743 0.087 18770 1494 1 7 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.917 0.043 18770 1495 1 7 . 1 1 40 40 LYS C C 40 178.330 178.330 178.699 -0.369 18770 1496 1 7 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.901 -0.691 18770 1497 1 7 . 1 1 40 40 LYS H H 40 8.260 8.260 8.698 -0.438 18770 1498 1 7 . 1 1 41 41 LYS N N 41 121.010 121.010 118.913 2.097 18770 1499 1 7 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.006 0.134 18770 1500 1 7 . 1 1 41 41 LYS C C 41 177.790 177.790 179.470 -1.680 18770 1501 1 7 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.321 -0.941 18770 1502 1 7 . 1 1 41 41 LYS H H 41 8.040 8.040 7.931 0.109 18770 1503 1 7 . 1 1 42 42 ALA N N 42 122.920 122.920 122.507 0.413 18770 1504 1 7 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.031 0.219 18770 1505 1 7 . 1 1 42 42 ALA C C 42 178.430 178.430 179.488 -1.058 18770 1506 1 7 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.831 -0.931 18770 1507 1 7 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.587 0.903 18770 1508 1 7 . 1 1 42 42 ALA H H 42 7.950 7.950 8.254 -0.304 18770 1509 1 7 . 1 1 43 43 MET N N 43 116.170 116.170 114.226 1.944 18770 1510 1 7 . 1 1 43 43 MET HA H 43 4.450 4.450 4.266 0.184 18770 1511 1 7 . 1 1 43 43 MET C C 43 176.270 176.270 175.308 0.962 18770 1512 1 7 . 1 1 43 43 MET CA C 43 55.630 55.630 55.980 -0.350 18770 1513 1 7 . 1 1 43 43 MET H H 43 7.790 7.790 8.134 -0.344 18770 1514 1 7 . 1 1 44 44 SER N N 44 115.560 115.560 114.933 0.627 18770 1515 1 7 . 1 1 44 44 SER HA H 44 4.490 4.490 4.107 0.383 18770 1516 1 7 . 1 1 44 44 SER C C 44 173.990 173.990 174.591 -0.601 18770 1517 1 7 . 1 1 44 44 SER CA C 44 58.750 58.750 59.288 -0.537 18770 1518 1 7 . 1 1 44 44 SER H H 44 7.850 7.850 7.673 0.177 18770 1519 1 7 . 1 1 45 45 ASP N N 45 123.440 123.440 122.741 0.699 18770 1520 1 7 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.349 0.161 18770 1521 1 7 . 1 1 45 45 ASP C C 45 175.930 175.930 176.613 -0.683 18770 1522 1 7 . 1 1 45 45 ASP CA C 45 54.600 54.600 55.925 -1.325 18770 1523 1 7 . 1 1 45 45 ASP H H 45 8.330 8.330 8.326 0.004 18770 1524 1 7 . 1 1 46 46 ASP N N 46 121.600 121.600 120.501 1.099 18770 1525 1 7 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.819 -0.209 18770 1526 1 7 . 1 1 46 46 ASP C C 46 176.040 176.040 175.136 0.904 18770 1527 1 7 . 1 1 46 46 ASP CA C 46 54.410 54.410 53.749 0.660 18770 1528 1 7 . 1 1 46 46 ASP H H 46 8.260 8.260 8.178 0.082 18770 1529 1 7 . 1 1 47 47 GLU N N 47 123.340 123.340 121.008 2.332 18770 1530 1 7 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.609 -0.059 18770 1531 1 7 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.613 0.067 18770 1532 1 7 . 1 1 47 47 GLU H H 47 8.190 8.190 8.373 -0.183 18770 1533 1 7 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.363 -0.123 18770 1534 1 8 . 1 1 3 3 GLY N N 3 108.610 108.610 109.413 -0.803 18770 1535 1 8 . 1 1 3 3 GLY C C 3 173.770 173.770 174.959 -1.189 18770 1536 1 8 . 1 1 3 3 GLY CA C 3 45.260 45.260 45.162 0.098 18770 1537 1 8 . 1 1 3 3 GLY H H 3 8.380 8.380 8.214 0.166 18770 1538 1 8 . 1 1 4 4 ILE N N 4 120.930 120.930 121.084 -0.154 18770 1539 1 8 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.184 0.206 18770 1540 1 8 . 1 1 4 4 ILE C C 4 175.060 175.060 175.383 -0.323 18770 1541 1 8 . 1 1 4 4 ILE CA C 4 60.630 60.630 60.346 0.284 18770 1542 1 8 . 1 1 4 4 ILE H H 4 7.660 7.660 7.517 0.143 18770 1543 1 8 . 1 1 5 5 SER N N 5 121.380 121.380 121.734 -0.354 18770 1544 1 8 . 1 1 5 5 SER HA H 5 4.720 4.720 4.434 0.286 18770 1545 1 8 . 1 1 5 5 SER C C 5 175.650 175.650 175.886 -0.236 18770 1546 1 8 . 1 1 5 5 SER CA C 5 57.380 57.380 58.027 -0.647 18770 1547 1 8 . 1 1 5 5 SER H H 5 8.210 8.210 8.620 -0.410 18770 1548 1 8 . 1 1 6 6 ILE N N 6 123.490 123.490 127.635 -4.145 18770 1549 1 8 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.895 -0.085 18770 1550 1 8 . 1 1 6 6 ILE C C 6 176.630 176.630 177.112 -0.482 18770 1551 1 8 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.561 0.489 18770 1552 1 8 . 1 1 6 6 ILE H H 6 9.140 9.140 8.661 0.479 18770 1553 1 8 . 1 1 7 7 TRP N N 7 119.410 119.410 119.743 -0.333 18770 1554 1 8 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.208 0.212 18770 1555 1 8 . 1 1 7 7 TRP C C 7 177.700 177.700 177.796 -0.096 18770 1556 1 8 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.475 -0.815 18770 1557 1 8 . 1 1 7 7 TRP H H 7 7.580 7.580 7.937 -0.357 18770 1558 1 8 . 1 1 8 8 GLN N N 8 118.180 118.180 118.579 -0.399 18770 1559 1 8 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.096 -0.336 18770 1560 1 8 . 1 1 8 8 GLN C C 8 177.770 177.770 178.228 -0.458 18770 1561 1 8 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.951 0.549 18770 1562 1 8 . 1 1 8 8 GLN H H 8 7.210 7.210 7.991 -0.781 18770 1563 1 8 . 1 1 9 9 LEU N N 9 118.440 118.440 119.998 -1.558 18770 1564 1 8 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.042 -0.102 18770 1565 1 8 . 1 1 9 9 LEU C C 9 178.140 178.140 178.962 -0.822 18770 1566 1 8 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.479 0.601 18770 1567 1 8 . 1 1 9 9 LEU H H 9 7.740 7.740 7.935 -0.195 18770 1568 1 8 . 1 1 10 10 LEU N N 10 118.570 118.570 120.313 -1.743 18770 1569 1 8 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.882 0.118 18770 1570 1 8 . 1 1 10 10 LEU C C 10 177.920 177.920 179.201 -1.281 18770 1571 1 8 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.466 -0.246 18770 1572 1 8 . 1 1 10 10 LEU H H 10 8.240 8.240 7.434 0.806 18770 1573 1 8 . 1 1 11 11 ILE N N 11 118.100 118.100 119.873 -1.773 18770 1574 1 8 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.749 -0.029 18770 1575 1 8 . 1 1 11 11 ILE C C 11 177.290 177.290 177.653 -0.363 18770 1576 1 8 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.310 0.130 18770 1577 1 8 . 1 1 11 11 ILE H H 11 7.750 7.750 7.832 -0.082 18770 1578 1 8 . 1 1 12 12 ILE N N 12 119.200 119.200 119.991 -0.791 18770 1579 1 8 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.614 -0.024 18770 1580 1 8 . 1 1 12 12 ILE C C 12 176.920 176.920 177.640 -0.720 18770 1581 1 8 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.476 0.194 18770 1582 1 8 . 1 1 12 12 ILE H H 12 7.780 7.780 7.696 0.084 18770 1583 1 8 . 1 1 13 13 ALA N N 13 121.380 121.380 122.696 -1.316 18770 1584 1 8 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.054 -0.184 18770 1585 1 8 . 1 1 13 13 ALA C C 13 178.600 178.600 179.754 -1.154 18770 1586 1 8 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.469 0.491 18770 1587 1 8 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.106 0.534 18770 1588 1 8 . 1 1 13 13 ALA H H 13 8.430 8.430 8.486 -0.056 18770 1589 1 8 . 1 1 14 14 VAL N N 14 116.960 116.960 119.273 -2.313 18770 1590 1 8 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.678 -0.198 18770 1591 1 8 . 1 1 14 14 VAL C C 14 177.270 177.270 178.166 -0.896 18770 1592 1 8 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.953 0.577 18770 1593 1 8 . 1 1 14 14 VAL H H 14 8.240 8.240 7.994 0.246 18770 1594 1 8 . 1 1 15 15 ILE N N 15 119.670 119.670 120.395 -0.725 18770 1595 1 8 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.655 -0.075 18770 1596 1 8 . 1 1 15 15 ILE C C 15 177.460 177.460 178.112 -0.652 18770 1597 1 8 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.841 0.579 18770 1598 1 8 . 1 1 15 15 ILE H H 15 8.110 8.110 7.861 0.249 18770 1599 1 8 . 1 1 16 16 VAL N N 16 118.470 118.470 120.006 -1.536 18770 1600 1 8 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.814 -0.094 18770 1601 1 8 . 1 1 16 16 VAL C C 16 178.120 178.120 178.193 -0.073 18770 1602 1 8 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.318 0.512 18770 1603 1 8 . 1 1 16 16 VAL H H 16 8.510 8.510 7.919 0.591 18770 1604 1 8 . 1 1 17 17 VAL N N 17 120.380 120.380 119.644 0.736 18770 1605 1 8 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.720 -0.150 18770 1606 1 8 . 1 1 17 17 VAL C C 17 178.080 178.080 178.317 -0.237 18770 1607 1 8 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.865 0.665 18770 1608 1 8 . 1 1 17 17 VAL H H 17 8.380 8.380 7.771 0.609 18770 1609 1 8 . 1 1 18 18 LEU N N 18 120.340 120.340 119.315 1.025 18770 1610 1 8 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.942 0.098 18770 1611 1 8 . 1 1 18 18 LEU C C 18 177.820 177.820 178.772 -0.952 18770 1612 1 8 . 1 1 18 18 LEU CA C 18 57.990 57.990 58.011 -0.021 18770 1613 1 8 . 1 1 18 18 LEU H H 18 8.360 8.360 7.980 0.380 18770 1614 1 8 . 1 1 19 19 LEU N N 19 116.040 116.040 117.152 -1.112 18770 1615 1 8 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.941 0.109 18770 1616 1 8 . 1 1 19 19 LEU C C 19 178.250 178.250 178.840 -0.590 18770 1617 1 8 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.463 -0.193 18770 1618 1 8 . 1 1 19 19 LEU H H 19 8.190 8.190 7.926 0.264 18770 1619 1 8 . 1 1 20 20 PHE N N 20 114.310 114.310 116.185 -1.875 18770 1620 1 8 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.551 -0.541 18770 1621 1 8 . 1 1 20 20 PHE C C 20 177.000 177.000 176.056 0.944 18770 1622 1 8 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.084 0.146 18770 1623 1 8 . 1 1 20 20 PHE H H 20 8.280 8.280 8.081 0.200 18770 1624 1 8 . 1 1 21 21 GLY N N 21 109.420 109.420 107.657 1.763 18770 1625 1 8 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.751 1.679 18770 1626 1 8 . 1 1 21 21 GLY H H 21 8.210 8.210 8.037 0.173 18770 1627 1 8 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.386 -0.066 18770 1628 1 8 . 1 1 22 22 PRO C C 22 177.640 177.640 178.426 -0.786 18770 1629 1 8 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.554 0.446 18770 1630 1 8 . 1 1 23 23 LYS N N 23 118.970 118.970 120.183 -1.213 18770 1631 1 8 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.121 0.049 18770 1632 1 8 . 1 1 23 23 LYS C C 23 178.650 178.650 178.739 -0.089 18770 1633 1 8 . 1 1 23 23 LYS CA C 23 59.150 59.150 58.988 0.162 18770 1634 1 8 . 1 1 23 23 LYS H H 23 8.450 8.450 8.326 0.124 18770 1635 1 8 . 1 1 24 24 LYS N N 24 119.990 119.990 119.695 0.295 18770 1636 1 8 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.158 0.172 18770 1637 1 8 . 1 1 24 24 LYS C C 24 177.950 177.950 179.042 -1.092 18770 1638 1 8 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.767 -1.577 18770 1639 1 8 . 1 1 24 24 LYS H H 24 8.160 8.160 7.569 0.591 18770 1640 1 8 . 1 1 25 25 LEU N N 25 119.390 119.390 120.173 -0.783 18770 1641 1 8 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.040 0.090 18770 1642 1 8 . 1 1 25 25 LEU C C 25 177.980 177.980 178.716 -0.736 18770 1643 1 8 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.771 -0.641 18770 1644 1 8 . 1 1 25 25 LEU H H 25 7.850 7.850 7.728 0.122 18770 1645 1 8 . 1 1 26 26 GLY N N 26 105.890 105.890 106.713 -0.823 18770 1646 1 8 . 1 1 26 26 GLY C C 26 175.110 175.110 175.755 -0.645 18770 1647 1 8 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.554 -0.764 18770 1648 1 8 . 1 1 26 26 GLY H H 26 8.280 8.280 8.097 0.183 18770 1649 1 8 . 1 1 27 27 SER N N 27 117.000 117.000 118.292 -1.292 18770 1650 1 8 . 1 1 27 27 SER HA H 27 4.440 4.440 4.346 0.094 18770 1651 1 8 . 1 1 27 27 SER C C 27 175.750 175.750 176.952 -1.202 18770 1652 1 8 . 1 1 27 27 SER CA C 27 60.190 60.190 61.301 -1.111 18770 1653 1 8 . 1 1 27 27 SER H H 27 8.020 8.020 7.714 0.306 18770 1654 1 8 . 1 1 28 28 ILE N N 28 121.650 121.650 123.106 -1.456 18770 1655 1 8 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.724 0.366 18770 1656 1 8 . 1 1 28 28 ILE C C 28 177.040 177.040 178.224 -1.184 18770 1657 1 8 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.382 -1.722 18770 1658 1 8 . 1 1 28 28 ILE H H 28 7.870 7.870 8.608 -0.738 18770 1659 1 8 . 1 1 29 29 GLY N N 29 108.410 108.410 107.475 0.935 18770 1660 1 8 . 1 1 29 29 GLY C C 29 174.580 174.580 175.983 -1.403 18770 1661 1 8 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.442 -0.762 18770 1662 1 8 . 1 1 29 29 GLY H H 29 8.370 8.370 8.408 -0.038 18770 1663 1 8 . 1 1 30 30 SER N N 30 116.090 116.090 116.379 -0.289 18770 1664 1 8 . 1 1 30 30 SER HA H 30 4.320 4.320 4.092 0.228 18770 1665 1 8 . 1 1 30 30 SER C C 30 175.830 175.830 176.031 -0.201 18770 1666 1 8 . 1 1 30 30 SER CA C 30 60.770 60.770 61.580 -0.810 18770 1667 1 8 . 1 1 30 30 SER H H 30 8.060 8.060 8.097 -0.037 18770 1668 1 8 . 1 1 31 31 ASP N N 31 122.820 122.820 121.152 1.668 18770 1669 1 8 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.515 0.105 18770 1670 1 8 . 1 1 31 31 ASP C C 31 177.690 177.690 178.837 -1.147 18770 1671 1 8 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.610 -0.900 18770 1672 1 8 . 1 1 31 31 ASP H H 31 8.240 8.240 8.111 0.129 18770 1673 1 8 . 1 1 32 32 LEU N N 32 123.090 123.090 118.954 4.136 18770 1674 1 8 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.270 -0.080 18770 1675 1 8 . 1 1 32 32 LEU C C 32 178.580 178.580 178.842 -0.262 18770 1676 1 8 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.135 1.375 18770 1677 1 8 . 1 1 32 32 LEU H H 32 8.390 8.390 8.261 0.129 18770 1678 1 8 . 1 1 33 33 GLY N N 33 107.330 107.330 105.852 1.478 18770 1679 1 8 . 1 1 33 33 GLY C C 33 175.560 175.560 174.308 1.252 18770 1680 1 8 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.206 2.024 18770 1681 1 8 . 1 1 33 33 GLY H H 33 8.560 8.560 8.440 0.120 18770 1682 1 8 . 1 1 34 34 ALA N N 34 123.920 123.920 124.077 -0.157 18770 1683 1 8 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.178 0.032 18770 1684 1 8 . 1 1 34 34 ALA C C 34 180.040 180.040 179.306 0.734 18770 1685 1 8 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.865 -0.165 18770 1686 1 8 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.521 0.769 18770 1687 1 8 . 1 1 34 34 ALA H H 34 8.090 8.090 7.509 0.581 18770 1688 1 8 . 1 1 35 35 SER N N 35 116.060 116.060 115.188 0.872 18770 1689 1 8 . 1 1 35 35 SER HA H 35 4.400 4.400 4.204 0.196 18770 1690 1 8 . 1 1 35 35 SER C C 35 175.630 175.630 176.665 -1.035 18770 1691 1 8 . 1 1 35 35 SER CA C 35 61.660 61.660 61.640 0.020 18770 1692 1 8 . 1 1 35 35 SER H H 35 8.040 8.040 7.879 0.161 18770 1693 1 8 . 1 1 36 36 ILE N N 36 122.330 122.330 122.087 0.243 18770 1694 1 8 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.587 0.293 18770 1695 1 8 . 1 1 36 36 ILE C C 36 177.330 177.330 177.278 0.052 18770 1696 1 8 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.778 -0.258 18770 1697 1 8 . 1 1 36 36 ILE H H 36 8.280 8.280 7.982 0.298 18770 1698 1 8 . 1 1 37 37 LYS N N 37 121.050 121.050 120.600 0.450 18770 1699 1 8 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.983 0.057 18770 1700 1 8 . 1 1 37 37 LYS C C 37 178.950 178.950 179.134 -0.184 18770 1701 1 8 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.122 -0.392 18770 1702 1 8 . 1 1 37 37 LYS H H 37 8.130 8.130 8.103 0.027 18770 1703 1 8 . 1 1 38 38 GLY N N 38 107.750 107.750 107.068 0.682 18770 1704 1 8 . 1 1 38 38 GLY C C 38 175.870 175.870 176.413 -0.543 18770 1705 1 8 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.209 -0.579 18770 1706 1 8 . 1 1 38 38 GLY H H 38 8.210 8.210 7.915 0.295 18770 1707 1 8 . 1 1 39 39 PHE N N 39 123.190 123.190 122.632 0.558 18770 1708 1 8 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.283 0.137 18770 1709 1 8 . 1 1 39 39 PHE C C 39 176.510 176.510 177.901 -1.391 18770 1710 1 8 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.577 -0.247 18770 1711 1 8 . 1 1 39 39 PHE H H 39 8.130 8.130 8.056 0.074 18770 1712 1 8 . 1 1 40 40 LYS N N 40 119.830 119.830 120.201 -0.371 18770 1713 1 8 . 1 1 40 40 LYS HA H 40 3.960 3.960 4.053 -0.093 18770 1714 1 8 . 1 1 40 40 LYS C C 40 178.330 178.330 178.490 -0.160 18770 1715 1 8 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.368 -0.158 18770 1716 1 8 . 1 1 40 40 LYS H H 40 8.260 8.260 8.244 0.016 18770 1717 1 8 . 1 1 41 41 LYS N N 41 121.010 121.010 118.721 2.289 18770 1718 1 8 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.123 0.017 18770 1719 1 8 . 1 1 41 41 LYS C C 41 177.790 177.790 178.891 -1.101 18770 1720 1 8 . 1 1 41 41 LYS CA C 41 58.380 58.380 58.381 -0.001 18770 1721 1 8 . 1 1 41 41 LYS H H 41 8.040 8.040 7.895 0.145 18770 1722 1 8 . 1 1 42 42 ALA N N 42 122.920 122.920 122.233 0.687 18770 1723 1 8 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.058 0.192 18770 1724 1 8 . 1 1 42 42 ALA C C 42 178.430 178.430 179.047 -0.617 18770 1725 1 8 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.646 -0.746 18770 1726 1 8 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.619 0.871 18770 1727 1 8 . 1 1 42 42 ALA H H 42 7.950 7.950 8.229 -0.279 18770 1728 1 8 . 1 1 43 43 MET N N 43 116.170 116.170 115.453 0.717 18770 1729 1 8 . 1 1 43 43 MET HA H 43 4.450 4.450 4.426 0.024 18770 1730 1 8 . 1 1 43 43 MET C C 43 176.270 176.270 175.470 0.800 18770 1731 1 8 . 1 1 43 43 MET CA C 43 55.630 55.630 55.428 0.202 18770 1732 1 8 . 1 1 43 43 MET H H 43 7.790 7.790 7.747 0.043 18770 1733 1 8 . 1 1 44 44 SER N N 44 115.560 115.560 114.689 0.871 18770 1734 1 8 . 1 1 44 44 SER HA H 44 4.490 4.490 4.539 -0.049 18770 1735 1 8 . 1 1 44 44 SER C C 44 173.990 173.990 173.630 0.360 18770 1736 1 8 . 1 1 44 44 SER CA C 44 58.750 58.750 56.326 2.424 18770 1737 1 8 . 1 1 44 44 SER H H 44 7.850 7.850 7.694 0.156 18770 1738 1 8 . 1 1 45 45 ASP N N 45 123.440 123.440 124.365 -0.925 18770 1739 1 8 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.523 -0.013 18770 1740 1 8 . 1 1 45 45 ASP C C 45 175.930 175.930 176.233 -0.303 18770 1741 1 8 . 1 1 45 45 ASP CA C 45 54.600 54.600 55.176 -0.576 18770 1742 1 8 . 1 1 45 45 ASP H H 45 8.330 8.330 8.586 -0.256 18770 1743 1 8 . 1 1 46 46 ASP N N 46 121.600 121.600 117.629 3.971 18770 1744 1 8 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.690 -0.080 18770 1745 1 8 . 1 1 46 46 ASP C C 46 176.040 176.040 174.344 1.696 18770 1746 1 8 . 1 1 46 46 ASP CA C 46 54.410 54.410 53.260 1.150 18770 1747 1 8 . 1 1 46 46 ASP H H 46 8.260 8.260 8.089 0.171 18770 1748 1 8 . 1 1 47 47 GLU N N 47 123.340 123.340 119.183 4.157 18770 1749 1 8 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.547 0.003 18770 1750 1 8 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.940 -0.260 18770 1751 1 8 . 1 1 47 47 GLU H H 47 8.190 8.190 8.382 -0.192 18770 1752 1 8 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.319 -0.079 18770 1753 1 9 . 1 1 3 3 GLY N N 3 108.610 108.610 107.845 0.765 18770 1754 1 9 . 1 1 3 3 GLY C C 3 173.770 173.770 175.001 -1.231 18770 1755 1 9 . 1 1 3 3 GLY CA C 3 45.260 45.260 45.390 -0.130 18770 1756 1 9 . 1 1 3 3 GLY H H 3 8.380 8.380 8.491 -0.111 18770 1757 1 9 . 1 1 4 4 ILE N N 4 120.930 120.930 119.763 1.167 18770 1758 1 9 . 1 1 4 4 ILE HA H 4 4.390 4.390 3.867 0.523 18770 1759 1 9 . 1 1 4 4 ILE C C 4 175.060 175.060 176.548 -1.488 18770 1760 1 9 . 1 1 4 4 ILE CA C 4 60.630 60.630 62.977 -2.346 18770 1761 1 9 . 1 1 4 4 ILE H H 4 7.660 7.660 7.962 -0.302 18770 1762 1 9 . 1 1 5 5 SER N N 5 121.380 121.380 114.871 6.509 18770 1763 1 9 . 1 1 5 5 SER HA H 5 4.720 4.720 4.471 0.249 18770 1764 1 9 . 1 1 5 5 SER C C 5 175.650 175.650 175.781 -0.131 18770 1765 1 9 . 1 1 5 5 SER CA C 5 57.380 57.380 57.801 -0.421 18770 1766 1 9 . 1 1 5 5 SER H H 5 8.210 8.210 7.882 0.328 18770 1767 1 9 . 1 1 6 6 ILE N N 6 123.490 123.490 121.800 1.690 18770 1768 1 9 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.897 -0.087 18770 1769 1 9 . 1 1 6 6 ILE C C 6 176.630 176.630 176.985 -0.355 18770 1770 1 9 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.483 0.567 18770 1771 1 9 . 1 1 6 6 ILE H H 6 9.140 9.140 8.764 0.376 18770 1772 1 9 . 1 1 7 7 TRP N N 7 119.410 119.410 120.633 -1.223 18770 1773 1 9 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.209 0.211 18770 1774 1 9 . 1 1 7 7 TRP C C 7 177.700 177.700 177.887 -0.187 18770 1775 1 9 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.684 -1.024 18770 1776 1 9 . 1 1 7 7 TRP H H 7 7.580 7.580 7.722 -0.142 18770 1777 1 9 . 1 1 8 8 GLN N N 8 118.180 118.180 118.623 -0.443 18770 1778 1 9 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.123 -0.363 18770 1779 1 9 . 1 1 8 8 GLN C C 8 177.770 177.770 178.290 -0.520 18770 1780 1 9 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.895 0.605 18770 1781 1 9 . 1 1 8 8 GLN H H 8 7.210 7.210 7.837 -0.627 18770 1782 1 9 . 1 1 9 9 LEU N N 9 118.440 118.440 119.865 -1.425 18770 1783 1 9 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.045 -0.105 18770 1784 1 9 . 1 1 9 9 LEU C C 9 178.140 178.140 178.861 -0.721 18770 1785 1 9 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.512 0.568 18770 1786 1 9 . 1 1 9 9 LEU H H 9 7.740 7.740 7.969 -0.229 18770 1787 1 9 . 1 1 10 10 LEU N N 10 118.570 118.570 120.358 -1.788 18770 1788 1 9 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.884 0.116 18770 1789 1 9 . 1 1 10 10 LEU C C 10 177.920 177.920 179.223 -1.303 18770 1790 1 9 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.427 -0.207 18770 1791 1 9 . 1 1 10 10 LEU H H 10 8.240 8.240 7.434 0.806 18770 1792 1 9 . 1 1 11 11 ILE N N 11 118.100 118.100 119.823 -1.723 18770 1793 1 9 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.762 -0.042 18770 1794 1 9 . 1 1 11 11 ILE C C 11 177.290 177.290 177.655 -0.365 18770 1795 1 9 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.196 0.244 18770 1796 1 9 . 1 1 11 11 ILE H H 11 7.750 7.750 7.809 -0.059 18770 1797 1 9 . 1 1 12 12 ILE N N 12 119.200 119.200 119.930 -0.730 18770 1798 1 9 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.613 -0.023 18770 1799 1 9 . 1 1 12 12 ILE C C 12 176.920 176.920 177.631 -0.711 18770 1800 1 9 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.400 0.270 18770 1801 1 9 . 1 1 12 12 ILE H H 12 7.780 7.780 7.662 0.118 18770 1802 1 9 . 1 1 13 13 ALA N N 13 121.380 121.380 122.532 -1.152 18770 1803 1 9 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.043 -0.173 18770 1804 1 9 . 1 1 13 13 ALA C C 13 178.600 178.600 179.596 -0.996 18770 1805 1 9 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.405 0.555 18770 1806 1 9 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.094 0.546 18770 1807 1 9 . 1 1 13 13 ALA H H 13 8.430 8.430 8.364 0.066 18770 1808 1 9 . 1 1 14 14 VAL N N 14 116.960 116.960 119.544 -2.584 18770 1809 1 9 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.667 -0.187 18770 1810 1 9 . 1 1 14 14 VAL C C 14 177.270 177.270 177.918 -0.648 18770 1811 1 9 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.468 1.062 18770 1812 1 9 . 1 1 14 14 VAL H H 14 8.240 8.240 7.685 0.555 18770 1813 1 9 . 1 1 15 15 ILE N N 15 119.670 119.670 120.134 -0.464 18770 1814 1 9 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.637 -0.057 18770 1815 1 9 . 1 1 15 15 ILE C C 15 177.460 177.460 177.886 -0.426 18770 1816 1 9 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.687 0.733 18770 1817 1 9 . 1 1 15 15 ILE H H 15 8.110 8.110 7.557 0.553 18770 1818 1 9 . 1 1 16 16 VAL N N 16 118.470 118.470 119.812 -1.342 18770 1819 1 9 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.781 -0.061 18770 1820 1 9 . 1 1 16 16 VAL C C 16 178.120 178.120 178.059 0.061 18770 1821 1 9 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.343 0.487 18770 1822 1 9 . 1 1 16 16 VAL H H 16 8.510 8.510 7.637 0.873 18770 1823 1 9 . 1 1 17 17 VAL N N 17 120.380 120.380 119.401 0.979 18770 1824 1 9 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.594 -0.024 18770 1825 1 9 . 1 1 17 17 VAL C C 17 178.080 178.080 178.349 -0.269 18770 1826 1 9 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.805 0.725 18770 1827 1 9 . 1 1 17 17 VAL H H 17 8.380 8.380 7.539 0.841 18770 1828 1 9 . 1 1 18 18 LEU N N 18 120.340 120.340 119.518 0.822 18770 1829 1 9 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.943 0.097 18770 1830 1 9 . 1 1 18 18 LEU C C 18 177.820 177.820 178.738 -0.918 18770 1831 1 9 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.973 0.017 18770 1832 1 9 . 1 1 18 18 LEU H H 18 8.360 8.360 7.816 0.544 18770 1833 1 9 . 1 1 19 19 LEU N N 19 116.040 116.040 117.137 -1.097 18770 1834 1 9 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.972 0.078 18770 1835 1 9 . 1 1 19 19 LEU C C 19 178.250 178.250 178.958 -0.708 18770 1836 1 9 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.497 -0.227 18770 1837 1 9 . 1 1 19 19 LEU H H 19 8.190 8.190 8.007 0.183 18770 1838 1 9 . 1 1 20 20 PHE N N 20 114.310 114.310 116.285 -1.975 18770 1839 1 9 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.515 -0.505 18770 1840 1 9 . 1 1 20 20 PHE C C 20 177.000 177.000 176.080 0.920 18770 1841 1 9 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.170 0.060 18770 1842 1 9 . 1 1 20 20 PHE H H 20 8.280 8.280 8.238 0.042 18770 1843 1 9 . 1 1 21 21 GLY N N 21 109.420 109.420 107.486 1.934 18770 1844 1 9 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.698 1.732 18770 1845 1 9 . 1 1 21 21 GLY H H 21 8.210 8.210 7.895 0.315 18770 1846 1 9 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.298 0.022 18770 1847 1 9 . 1 1 22 22 PRO C C 22 177.640 177.640 178.452 -0.812 18770 1848 1 9 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.539 0.461 18770 1849 1 9 . 1 1 23 23 LYS N N 23 118.970 118.970 120.810 -1.840 18770 1850 1 9 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.055 0.115 18770 1851 1 9 . 1 1 23 23 LYS C C 23 178.650 178.650 178.369 0.281 18770 1852 1 9 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.428 -0.278 18770 1853 1 9 . 1 1 23 23 LYS H H 23 8.450 8.450 8.136 0.314 18770 1854 1 9 . 1 1 24 24 LYS N N 24 119.990 119.990 120.048 -0.058 18770 1855 1 9 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.116 0.214 18770 1856 1 9 . 1 1 24 24 LYS C C 24 177.950 177.950 179.094 -1.144 18770 1857 1 9 . 1 1 24 24 LYS CA C 24 57.190 57.190 59.184 -1.994 18770 1858 1 9 . 1 1 24 24 LYS H H 24 8.160 8.160 7.779 0.381 18770 1859 1 9 . 1 1 25 25 LEU N N 25 119.390 119.390 119.623 -0.233 18770 1860 1 9 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.094 0.036 18770 1861 1 9 . 1 1 25 25 LEU C C 25 177.980 177.980 178.449 -0.469 18770 1862 1 9 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.453 -0.323 18770 1863 1 9 . 1 1 25 25 LEU H H 25 7.850 7.850 7.646 0.204 18770 1864 1 9 . 1 1 26 26 GLY N N 26 105.890 105.890 107.049 -1.159 18770 1865 1 9 . 1 1 26 26 GLY C C 26 175.110 175.110 175.944 -0.834 18770 1866 1 9 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.639 -0.849 18770 1867 1 9 . 1 1 26 26 GLY H H 26 8.280 8.280 8.043 0.237 18770 1868 1 9 . 1 1 27 27 SER N N 27 117.000 117.000 118.021 -1.021 18770 1869 1 9 . 1 1 27 27 SER HA H 27 4.440 4.440 4.234 0.206 18770 1870 1 9 . 1 1 27 27 SER C C 27 175.750 175.750 176.685 -0.935 18770 1871 1 9 . 1 1 27 27 SER CA C 27 60.190 60.190 61.238 -1.048 18770 1872 1 9 . 1 1 27 27 SER H H 27 8.020 8.020 7.645 0.375 18770 1873 1 9 . 1 1 28 28 ILE N N 28 121.650 121.650 123.334 -1.684 18770 1874 1 9 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.801 0.289 18770 1875 1 9 . 1 1 28 28 ILE C C 28 177.040 177.040 178.196 -1.156 18770 1876 1 9 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.260 -1.600 18770 1877 1 9 . 1 1 28 28 ILE H H 28 7.870 7.870 8.025 -0.155 18770 1878 1 9 . 1 1 29 29 GLY N N 29 108.410 108.410 107.648 0.762 18770 1879 1 9 . 1 1 29 29 GLY C C 29 174.580 174.580 176.270 -1.690 18770 1880 1 9 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.291 -0.611 18770 1881 1 9 . 1 1 29 29 GLY H H 29 8.370 8.370 8.346 0.024 18770 1882 1 9 . 1 1 30 30 SER N N 30 116.090 116.090 117.638 -1.548 18770 1883 1 9 . 1 1 30 30 SER HA H 30 4.320 4.320 4.040 0.280 18770 1884 1 9 . 1 1 30 30 SER C C 30 175.830 175.830 176.372 -0.542 18770 1885 1 9 . 1 1 30 30 SER CA C 30 60.770 60.770 61.893 -1.123 18770 1886 1 9 . 1 1 30 30 SER H H 30 8.060 8.060 8.090 -0.030 18770 1887 1 9 . 1 1 31 31 ASP N N 31 122.820 122.820 121.824 0.996 18770 1888 1 9 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.490 0.130 18770 1889 1 9 . 1 1 31 31 ASP C C 31 177.690 177.690 178.955 -1.265 18770 1890 1 9 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.802 -1.092 18770 1891 1 9 . 1 1 31 31 ASP H H 31 8.240 8.240 7.995 0.245 18770 1892 1 9 . 1 1 32 32 LEU N N 32 123.090 123.090 119.598 3.492 18770 1893 1 9 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.313 -0.123 18770 1894 1 9 . 1 1 32 32 LEU C C 32 178.580 178.580 179.190 -0.610 18770 1895 1 9 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.079 1.431 18770 1896 1 9 . 1 1 32 32 LEU H H 32 8.390 8.390 8.137 0.253 18770 1897 1 9 . 1 1 33 33 GLY N N 33 107.330 107.330 106.937 0.393 18770 1898 1 9 . 1 1 33 33 GLY C C 33 175.560 175.560 174.666 0.894 18770 1899 1 9 . 1 1 33 33 GLY CA C 33 47.230 47.230 46.492 0.738 18770 1900 1 9 . 1 1 33 33 GLY H H 33 8.560 8.560 8.607 -0.047 18770 1901 1 9 . 1 1 34 34 ALA N N 34 123.920 123.920 123.715 0.205 18770 1902 1 9 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.166 0.044 18770 1903 1 9 . 1 1 34 34 ALA C C 34 180.040 180.040 179.546 0.494 18770 1904 1 9 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.796 -0.096 18770 1905 1 9 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.438 0.852 18770 1906 1 9 . 1 1 34 34 ALA H H 34 8.090 8.090 7.484 0.606 18770 1907 1 9 . 1 1 35 35 SER N N 35 116.060 116.060 115.270 0.790 18770 1908 1 9 . 1 1 35 35 SER HA H 35 4.400 4.400 4.226 0.174 18770 1909 1 9 . 1 1 35 35 SER C C 35 175.630 175.630 176.734 -1.104 18770 1910 1 9 . 1 1 35 35 SER CA C 35 61.660 61.660 62.032 -0.372 18770 1911 1 9 . 1 1 35 35 SER H H 35 8.040 8.040 7.589 0.451 18770 1912 1 9 . 1 1 36 36 ILE N N 36 122.330 122.330 122.414 -0.084 18770 1913 1 9 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.611 0.269 18770 1914 1 9 . 1 1 36 36 ILE C C 36 177.330 177.330 177.250 0.080 18770 1915 1 9 . 1 1 36 36 ILE CA C 36 64.520 64.520 65.074 -0.554 18770 1916 1 9 . 1 1 36 36 ILE H H 36 8.280 8.280 7.395 0.885 18770 1917 1 9 . 1 1 37 37 LYS N N 37 121.050 121.050 120.686 0.364 18770 1918 1 9 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.975 0.065 18770 1919 1 9 . 1 1 37 37 LYS C C 37 178.950 178.950 179.141 -0.191 18770 1920 1 9 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.263 -0.533 18770 1921 1 9 . 1 1 37 37 LYS H H 37 8.130 8.130 8.157 -0.027 18770 1922 1 9 . 1 1 38 38 GLY N N 38 107.750 107.750 107.014 0.736 18770 1923 1 9 . 1 1 38 38 GLY C C 38 175.870 175.870 176.425 -0.555 18770 1924 1 9 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.189 -0.559 18770 1925 1 9 . 1 1 38 38 GLY H H 38 8.210 8.210 7.832 0.378 18770 1926 1 9 . 1 1 39 39 PHE N N 39 123.190 123.190 122.147 1.043 18770 1927 1 9 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.237 0.183 18770 1928 1 9 . 1 1 39 39 PHE C C 39 176.510 176.510 177.594 -1.084 18770 1929 1 9 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.867 -0.537 18770 1930 1 9 . 1 1 39 39 PHE H H 39 8.130 8.130 8.158 -0.028 18770 1931 1 9 . 1 1 40 40 LYS N N 40 119.830 119.830 119.739 0.091 18770 1932 1 9 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.967 -0.007 18770 1933 1 9 . 1 1 40 40 LYS C C 40 178.330 178.330 177.637 0.693 18770 1934 1 9 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.479 -0.269 18770 1935 1 9 . 1 1 40 40 LYS H H 40 8.260 8.260 8.459 -0.199 18770 1936 1 9 . 1 1 41 41 LYS N N 41 121.010 121.010 117.138 3.872 18770 1937 1 9 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.080 0.060 18770 1938 1 9 . 1 1 41 41 LYS C C 41 177.790 177.790 179.368 -1.578 18770 1939 1 9 . 1 1 41 41 LYS CA C 41 58.380 58.380 58.947 -0.567 18770 1940 1 9 . 1 1 41 41 LYS H H 41 8.040 8.040 7.875 0.165 18770 1941 1 9 . 1 1 42 42 ALA N N 42 122.920 122.920 122.143 0.777 18770 1942 1 9 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.035 0.215 18770 1943 1 9 . 1 1 42 42 ALA C C 42 178.430 178.430 179.556 -1.126 18770 1944 1 9 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.874 -0.974 18770 1945 1 9 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.570 0.920 18770 1946 1 9 . 1 1 42 42 ALA H H 42 7.950 7.950 8.264 -0.314 18770 1947 1 9 . 1 1 43 43 MET N N 43 116.170 116.170 116.421 -0.251 18770 1948 1 9 . 1 1 43 43 MET HA H 43 4.450 4.450 4.352 0.098 18770 1949 1 9 . 1 1 43 43 MET C C 43 176.270 176.270 177.514 -1.244 18770 1950 1 9 . 1 1 43 43 MET CA C 43 55.630 55.630 56.215 -0.585 18770 1951 1 9 . 1 1 43 43 MET H H 43 7.790 7.790 8.249 -0.459 18770 1952 1 9 . 1 1 44 44 SER N N 44 115.560 115.560 115.752 -0.192 18770 1953 1 9 . 1 1 44 44 SER HA H 44 4.490 4.490 4.318 0.172 18770 1954 1 9 . 1 1 44 44 SER C C 44 173.990 173.990 176.099 -2.109 18770 1955 1 9 . 1 1 44 44 SER CA C 44 58.750 58.750 60.315 -1.565 18770 1956 1 9 . 1 1 44 44 SER H H 44 7.850 7.850 7.930 -0.080 18770 1957 1 9 . 1 1 45 45 ASP N N 45 123.440 123.440 122.391 1.049 18770 1958 1 9 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.512 -0.002 18770 1959 1 9 . 1 1 45 45 ASP C C 45 175.930 175.930 176.707 -0.777 18770 1960 1 9 . 1 1 45 45 ASP CA C 45 54.600 54.600 56.701 -2.101 18770 1961 1 9 . 1 1 45 45 ASP H H 45 8.330 8.330 7.784 0.546 18770 1962 1 9 . 1 1 46 46 ASP N N 46 121.600 121.600 119.026 2.574 18770 1963 1 9 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.786 -0.176 18770 1964 1 9 . 1 1 46 46 ASP C C 46 176.040 176.040 174.757 1.283 18770 1965 1 9 . 1 1 46 46 ASP CA C 46 54.410 54.410 54.079 0.331 18770 1966 1 9 . 1 1 46 46 ASP H H 46 8.260 8.260 7.787 0.473 18770 1967 1 9 . 1 1 47 47 GLU N N 47 123.340 123.340 121.150 2.190 18770 1968 1 9 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.595 -0.045 18770 1969 1 9 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.888 -0.208 18770 1970 1 9 . 1 1 47 47 GLU H H 47 8.190 8.190 7.853 0.337 18770 1971 1 9 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.287 -0.047 18770 1972 1 10 . 1 1 3 3 GLY N N 3 108.610 108.610 108.667 -0.057 18770 1973 1 10 . 1 1 3 3 GLY C C 3 173.770 173.770 174.954 -1.184 18770 1974 1 10 . 1 1 3 3 GLY CA C 3 45.260 45.260 45.291 -0.031 18770 1975 1 10 . 1 1 3 3 GLY H H 3 8.380 8.380 8.259 0.121 18770 1976 1 10 . 1 1 4 4 ILE N N 4 120.930 120.930 119.558 1.372 18770 1977 1 10 . 1 1 4 4 ILE HA H 4 4.390 4.390 3.970 0.420 18770 1978 1 10 . 1 1 4 4 ILE C C 4 175.060 175.060 176.504 -1.444 18770 1979 1 10 . 1 1 4 4 ILE CA C 4 60.630 60.630 62.023 -1.393 18770 1980 1 10 . 1 1 4 4 ILE H H 4 7.660 7.660 8.086 -0.426 18770 1981 1 10 . 1 1 5 5 SER N N 5 121.380 121.380 114.872 6.508 18770 1982 1 10 . 1 1 5 5 SER HA H 5 4.720 4.720 4.584 0.136 18770 1983 1 10 . 1 1 5 5 SER C C 5 175.650 175.650 174.853 0.797 18770 1984 1 10 . 1 1 5 5 SER CA C 5 57.380 57.380 56.859 0.520 18770 1985 1 10 . 1 1 5 5 SER H H 5 8.210 8.210 7.786 0.424 18770 1986 1 10 . 1 1 6 6 ILE N N 6 123.490 123.490 127.693 -4.203 18770 1987 1 10 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.922 -0.112 18770 1988 1 10 . 1 1 6 6 ILE C C 6 176.630 176.630 177.275 -0.645 18770 1989 1 10 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.373 0.677 18770 1990 1 10 . 1 1 6 6 ILE H H 6 9.140 9.140 8.969 0.171 18770 1991 1 10 . 1 1 7 7 TRP N N 7 119.410 119.410 120.548 -1.138 18770 1992 1 10 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.229 0.191 18770 1993 1 10 . 1 1 7 7 TRP C C 7 177.700 177.700 177.758 -0.058 18770 1994 1 10 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.476 -0.816 18770 1995 1 10 . 1 1 7 7 TRP H H 7 7.580 7.580 8.211 -0.631 18770 1996 1 10 . 1 1 8 8 GLN N N 8 118.180 118.180 118.632 -0.452 18770 1997 1 10 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.133 -0.373 18770 1998 1 10 . 1 1 8 8 GLN C C 8 177.770 177.770 178.228 -0.458 18770 1999 1 10 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.779 0.721 18770 2000 1 10 . 1 1 8 8 GLN H H 8 7.210 7.210 7.815 -0.605 18770 2001 1 10 . 1 1 9 9 LEU N N 9 118.440 118.440 119.988 -1.548 18770 2002 1 10 . 1 1 9 9 LEU HA H 9 3.940 3.940 3.990 -0.050 18770 2003 1 10 . 1 1 9 9 LEU C C 9 178.140 178.140 178.896 -0.756 18770 2004 1 10 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.562 0.519 18770 2005 1 10 . 1 1 9 9 LEU H H 9 7.740 7.740 7.973 -0.233 18770 2006 1 10 . 1 1 10 10 LEU N N 10 118.570 118.570 120.309 -1.739 18770 2007 1 10 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.886 0.114 18770 2008 1 10 . 1 1 10 10 LEU C C 10 177.920 177.920 179.191 -1.271 18770 2009 1 10 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.448 -0.228 18770 2010 1 10 . 1 1 10 10 LEU H H 10 8.240 8.240 7.418 0.822 18770 2011 1 10 . 1 1 11 11 ILE N N 11 118.100 118.100 119.876 -1.776 18770 2012 1 10 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.755 -0.035 18770 2013 1 10 . 1 1 11 11 ILE C C 11 177.290 177.290 177.665 -0.375 18770 2014 1 10 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.259 0.181 18770 2015 1 10 . 1 1 11 11 ILE H H 11 7.750 7.750 7.809 -0.059 18770 2016 1 10 . 1 1 12 12 ILE N N 12 119.200 119.200 119.989 -0.789 18770 2017 1 10 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.615 -0.025 18770 2018 1 10 . 1 1 12 12 ILE C C 12 176.920 176.920 177.629 -0.709 18770 2019 1 10 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.443 0.227 18770 2020 1 10 . 1 1 12 12 ILE H H 12 7.780 7.780 7.668 0.112 18770 2021 1 10 . 1 1 13 13 ALA N N 13 121.380 121.380 122.721 -1.341 18770 2022 1 10 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.049 -0.179 18770 2023 1 10 . 1 1 13 13 ALA C C 13 178.600 178.600 179.622 -1.022 18770 2024 1 10 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.458 0.502 18770 2025 1 10 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.116 0.524 18770 2026 1 10 . 1 1 13 13 ALA H H 13 8.430 8.430 8.402 0.028 18770 2027 1 10 . 1 1 14 14 VAL N N 14 116.960 116.960 119.585 -2.625 18770 2028 1 10 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.672 -0.192 18770 2029 1 10 . 1 1 14 14 VAL C C 14 177.270 177.270 177.983 -0.713 18770 2030 1 10 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.555 0.975 18770 2031 1 10 . 1 1 14 14 VAL H H 14 8.240 8.240 7.937 0.303 18770 2032 1 10 . 1 1 15 15 ILE N N 15 119.670 119.670 120.232 -0.562 18770 2033 1 10 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.666 -0.086 18770 2034 1 10 . 1 1 15 15 ILE C C 15 177.460 177.460 177.975 -0.515 18770 2035 1 10 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.745 0.675 18770 2036 1 10 . 1 1 15 15 ILE H H 15 8.110 8.110 7.783 0.327 18770 2037 1 10 . 1 1 16 16 VAL N N 16 118.470 118.470 119.887 -1.417 18770 2038 1 10 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.814 -0.094 18770 2039 1 10 . 1 1 16 16 VAL C C 16 178.120 178.120 178.568 -0.448 18770 2040 1 10 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.093 0.737 18770 2041 1 10 . 1 1 16 16 VAL H H 16 8.510 8.510 7.798 0.712 18770 2042 1 10 . 1 1 17 17 VAL N N 17 120.380 120.380 119.898 0.482 18770 2043 1 10 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.752 -0.182 18770 2044 1 10 . 1 1 17 17 VAL C C 17 178.080 178.080 178.564 -0.484 18770 2045 1 10 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.868 0.662 18770 2046 1 10 . 1 1 17 17 VAL H H 17 8.380 8.380 7.755 0.625 18770 2047 1 10 . 1 1 18 18 LEU N N 18 120.340 120.340 119.286 1.054 18770 2048 1 10 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.949 0.091 18770 2049 1 10 . 1 1 18 18 LEU C C 18 177.820 177.820 178.727 -0.907 18770 2050 1 10 . 1 1 18 18 LEU CA C 18 57.990 57.990 58.000 -0.010 18770 2051 1 10 . 1 1 18 18 LEU H H 18 8.360 8.360 7.939 0.421 18770 2052 1 10 . 1 1 19 19 LEU N N 19 116.040 116.040 117.164 -1.124 18770 2053 1 10 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.960 0.090 18770 2054 1 10 . 1 1 19 19 LEU C C 19 178.250 178.250 178.877 -0.627 18770 2055 1 10 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.488 -0.218 18770 2056 1 10 . 1 1 19 19 LEU H H 19 8.190 8.190 7.979 0.211 18770 2057 1 10 . 1 1 20 20 PHE N N 20 114.310 114.310 116.154 -1.844 18770 2058 1 10 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.539 -0.529 18770 2059 1 10 . 1 1 20 20 PHE C C 20 177.000 177.000 176.035 0.965 18770 2060 1 10 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.076 0.154 18770 2061 1 10 . 1 1 20 20 PHE H H 20 8.280 8.280 8.160 0.120 18770 2062 1 10 . 1 1 21 21 GLY N N 21 109.420 109.420 107.629 1.791 18770 2063 1 10 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.735 1.695 18770 2064 1 10 . 1 1 21 21 GLY H H 21 8.210 8.210 7.947 0.263 18770 2065 1 10 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.362 -0.042 18770 2066 1 10 . 1 1 22 22 PRO C C 22 177.640 177.640 178.515 -0.875 18770 2067 1 10 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.540 0.460 18770 2068 1 10 . 1 1 23 23 LYS N N 23 118.970 118.970 119.962 -0.992 18770 2069 1 10 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.075 0.095 18770 2070 1 10 . 1 1 23 23 LYS C C 23 178.650 178.650 178.718 -0.068 18770 2071 1 10 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.580 -0.430 18770 2072 1 10 . 1 1 23 23 LYS H H 23 8.450 8.450 8.367 0.083 18770 2073 1 10 . 1 1 24 24 LYS N N 24 119.990 119.990 119.464 0.526 18770 2074 1 10 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.116 0.214 18770 2075 1 10 . 1 1 24 24 LYS C C 24 177.950 177.950 179.057 -1.107 18770 2076 1 10 . 1 1 24 24 LYS CA C 24 57.190 57.190 59.227 -2.037 18770 2077 1 10 . 1 1 24 24 LYS H H 24 8.160 8.160 7.747 0.413 18770 2078 1 10 . 1 1 25 25 LEU N N 25 119.390 119.390 120.214 -0.824 18770 2079 1 10 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.020 0.110 18770 2080 1 10 . 1 1 25 25 LEU C C 25 177.980 177.980 178.575 -0.595 18770 2081 1 10 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.650 -0.520 18770 2082 1 10 . 1 1 25 25 LEU H H 25 7.850 7.850 7.663 0.187 18770 2083 1 10 . 1 1 26 26 GLY N N 26 105.890 105.890 106.646 -0.756 18770 2084 1 10 . 1 1 26 26 GLY C C 26 175.110 175.110 175.730 -0.620 18770 2085 1 10 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.584 -0.794 18770 2086 1 10 . 1 1 26 26 GLY H H 26 8.280 8.280 8.025 0.255 18770 2087 1 10 . 1 1 27 27 SER N N 27 117.000 117.000 118.047 -1.047 18770 2088 1 10 . 1 1 27 27 SER HA H 27 4.440 4.440 4.179 0.261 18770 2089 1 10 . 1 1 27 27 SER C C 27 175.750 175.750 176.789 -1.039 18770 2090 1 10 . 1 1 27 27 SER CA C 27 60.190 60.190 61.453 -1.263 18770 2091 1 10 . 1 1 27 27 SER H H 27 8.020 8.020 7.619 0.401 18770 2092 1 10 . 1 1 28 28 ILE N N 28 121.650 121.650 123.152 -1.502 18770 2093 1 10 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.729 0.361 18770 2094 1 10 . 1 1 28 28 ILE C C 28 177.040 177.040 178.222 -1.182 18770 2095 1 10 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.328 -1.668 18770 2096 1 10 . 1 1 28 28 ILE H H 28 7.870 7.870 8.261 -0.391 18770 2097 1 10 . 1 1 29 29 GLY N N 29 108.410 108.410 107.734 0.676 18770 2098 1 10 . 1 1 29 29 GLY C C 29 174.580 174.580 176.135 -1.555 18770 2099 1 10 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.297 -0.617 18770 2100 1 10 . 1 1 29 29 GLY H H 29 8.370 8.370 8.397 -0.027 18770 2101 1 10 . 1 1 30 30 SER N N 30 116.090 116.090 116.351 -0.261 18770 2102 1 10 . 1 1 30 30 SER HA H 30 4.320 4.320 4.160 0.160 18770 2103 1 10 . 1 1 30 30 SER C C 30 175.830 175.830 176.352 -0.522 18770 2104 1 10 . 1 1 30 30 SER CA C 30 60.770 60.770 61.338 -0.568 18770 2105 1 10 . 1 1 30 30 SER H H 30 8.060 8.060 8.166 -0.106 18770 2106 1 10 . 1 1 31 31 ASP N N 31 122.820 122.820 121.030 1.790 18770 2107 1 10 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.435 0.185 18770 2108 1 10 . 1 1 31 31 ASP C C 31 177.690 177.690 179.297 -1.607 18770 2109 1 10 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.926 -1.216 18770 2110 1 10 . 1 1 31 31 ASP H H 31 8.240 8.240 8.234 0.006 18770 2111 1 10 . 1 1 32 32 LEU N N 32 123.090 123.090 119.546 3.544 18770 2112 1 10 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.289 -0.099 18770 2113 1 10 . 1 1 32 32 LEU C C 32 178.580 178.580 179.250 -0.670 18770 2114 1 10 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.270 1.240 18770 2115 1 10 . 1 1 32 32 LEU H H 32 8.390 8.390 8.251 0.139 18770 2116 1 10 . 1 1 33 33 GLY N N 33 107.330 107.330 105.918 1.412 18770 2117 1 10 . 1 1 33 33 GLY C C 33 175.560 175.560 174.386 1.174 18770 2118 1 10 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.517 1.713 18770 2119 1 10 . 1 1 33 33 GLY H H 33 8.560 8.560 8.645 -0.085 18770 2120 1 10 . 1 1 34 34 ALA N N 34 123.920 123.920 124.032 -0.112 18770 2121 1 10 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.033 0.177 18770 2122 1 10 . 1 1 34 34 ALA C C 34 180.040 180.040 178.750 1.290 18770 2123 1 10 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.901 -0.202 18770 2124 1 10 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.394 0.896 18770 2125 1 10 . 1 1 34 34 ALA H H 34 8.090 8.090 7.313 0.777 18770 2126 1 10 . 1 1 35 35 SER N N 35 116.060 116.060 114.534 1.526 18770 2127 1 10 . 1 1 35 35 SER HA H 35 4.400 4.400 4.287 0.113 18770 2128 1 10 . 1 1 35 35 SER C C 35 175.630 175.630 176.527 -0.897 18770 2129 1 10 . 1 1 35 35 SER CA C 35 61.660 61.660 61.075 0.585 18770 2130 1 10 . 1 1 35 35 SER H H 35 8.040 8.040 7.741 0.299 18770 2131 1 10 . 1 1 36 36 ILE N N 36 122.330 122.330 122.166 0.164 18770 2132 1 10 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.501 0.379 18770 2133 1 10 . 1 1 36 36 ILE C C 36 177.330 177.330 177.286 0.044 18770 2134 1 10 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.660 -0.140 18770 2135 1 10 . 1 1 36 36 ILE H H 36 8.280 8.280 7.878 0.402 18770 2136 1 10 . 1 1 37 37 LYS N N 37 121.050 121.050 120.617 0.433 18770 2137 1 10 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.978 0.062 18770 2138 1 10 . 1 1 37 37 LYS C C 37 178.950 178.950 179.054 -0.104 18770 2139 1 10 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.157 -0.427 18770 2140 1 10 . 1 1 37 37 LYS H H 37 8.130 8.130 7.915 0.215 18770 2141 1 10 . 1 1 38 38 GLY N N 38 107.750 107.750 106.936 0.814 18770 2142 1 10 . 1 1 38 38 GLY C C 38 175.870 175.870 176.498 -0.628 18770 2143 1 10 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.238 -0.608 18770 2144 1 10 . 1 1 38 38 GLY H H 38 8.210 8.210 7.772 0.438 18770 2145 1 10 . 1 1 39 39 PHE N N 39 123.190 123.190 122.499 0.691 18770 2146 1 10 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.260 0.160 18770 2147 1 10 . 1 1 39 39 PHE C C 39 176.510 176.510 177.826 -1.316 18770 2148 1 10 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.659 -0.329 18770 2149 1 10 . 1 1 39 39 PHE H H 39 8.130 8.130 8.004 0.126 18770 2150 1 10 . 1 1 40 40 LYS N N 40 119.830 119.830 120.107 -0.277 18770 2151 1 10 . 1 1 40 40 LYS HA H 40 3.960 3.960 4.078 -0.118 18770 2152 1 10 . 1 1 40 40 LYS C C 40 178.330 178.330 178.383 -0.053 18770 2153 1 10 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.234 -0.024 18770 2154 1 10 . 1 1 40 40 LYS H H 40 8.260 8.260 8.202 0.058 18770 2155 1 10 . 1 1 41 41 LYS N N 41 121.010 121.010 118.576 2.434 18770 2156 1 10 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.046 0.094 18770 2157 1 10 . 1 1 41 41 LYS C C 41 177.790 177.790 178.941 -1.151 18770 2158 1 10 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.480 -1.100 18770 2159 1 10 . 1 1 41 41 LYS H H 41 8.040 8.040 8.197 -0.157 18770 2160 1 10 . 1 1 42 42 ALA N N 42 122.920 122.920 122.233 0.687 18770 2161 1 10 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.071 0.179 18770 2162 1 10 . 1 1 42 42 ALA C C 42 178.430 178.430 179.860 -1.430 18770 2163 1 10 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.914 -1.014 18770 2164 1 10 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.509 0.981 18770 2165 1 10 . 1 1 42 42 ALA H H 42 7.950 7.950 8.167 -0.217 18770 2166 1 10 . 1 1 43 43 MET N N 43 116.170 116.170 116.106 0.064 18770 2167 1 10 . 1 1 43 43 MET HA H 43 4.450 4.450 4.434 0.016 18770 2168 1 10 . 1 1 43 43 MET C C 43 176.270 176.270 176.542 -0.272 18770 2169 1 10 . 1 1 43 43 MET CA C 43 55.630 55.630 55.723 -0.093 18770 2170 1 10 . 1 1 43 43 MET H H 43 7.790 7.790 7.729 0.061 18770 2171 1 10 . 1 1 44 44 SER N N 44 115.560 115.560 114.281 1.279 18770 2172 1 10 . 1 1 44 44 SER HA H 44 4.490 4.490 4.628 -0.138 18770 2173 1 10 . 1 1 44 44 SER C C 44 173.990 173.990 174.775 -0.785 18770 2174 1 10 . 1 1 44 44 SER CA C 44 58.750 58.750 57.437 1.313 18770 2175 1 10 . 1 1 44 44 SER H H 44 7.850 7.850 7.816 0.034 18770 2176 1 10 . 1 1 45 45 ASP N N 45 123.440 123.440 123.605 -0.165 18770 2177 1 10 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.477 0.033 18770 2178 1 10 . 1 1 45 45 ASP C C 45 175.930 175.930 176.281 -0.351 18770 2179 1 10 . 1 1 45 45 ASP CA C 45 54.600 54.600 56.261 -1.661 18770 2180 1 10 . 1 1 45 45 ASP H H 45 8.330 8.330 8.013 0.317 18770 2181 1 10 . 1 1 46 46 ASP N N 46 121.600 121.600 117.608 3.992 18770 2182 1 10 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.643 -0.033 18770 2183 1 10 . 1 1 46 46 ASP C C 46 176.040 176.040 174.758 1.282 18770 2184 1 10 . 1 1 46 46 ASP CA C 46 54.410 54.410 53.611 0.799 18770 2185 1 10 . 1 1 46 46 ASP H H 46 8.260 8.260 8.125 0.135 18770 2186 1 10 . 1 1 47 47 GLU N N 47 123.340 123.340 117.847 5.493 18770 2187 1 10 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.684 -0.134 18770 2188 1 10 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.306 0.374 18770 2189 1 10 . 1 1 47 47 GLU H H 47 8.190 8.190 8.375 -0.185 18770 2190 1 10 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.646 -0.406 18770 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 44 1.898 -0.318 1.893 18770 2 1 1 "Average Difference" HA 52 0.245 -0.113 0.220 18770 3 1 1 "Average Difference" C 43 0.908 0.526 0.749 18770 4 1 1 "Average Difference" CA 45 0.909 0.139 0.908 18770 5 1 1 "Average Difference" CB 3 0.769 -0.737 0.268 18770 6 1 1 "Average Difference" HN 44 0.392 -0.194 0.345 18770 7 1 2 "Average Difference" N 44 1.779 -0.166 1.792 18770 8 1 2 "Average Difference" HA 52 0.237 -0.063 0.231 18770 9 1 2 "Average Difference" C 43 0.897 0.445 0.788 18770 10 1 2 "Average Difference" CA 45 0.795 0.053 0.803 18770 11 1 2 "Average Difference" CB 3 0.815 -0.789 0.250 18770 12 1 2 "Average Difference" HN 44 0.416 -0.193 0.373 18770 13 1 3 "Average Difference" N 44 1.562 -0.112 1.576 18770 14 1 3 "Average Difference" HA 52 0.233 -0.095 0.214 18770 15 1 3 "Average Difference" C 43 0.848 0.508 0.687 18770 16 1 3 "Average Difference" CA 45 0.819 0.109 0.821 18770 17 1 3 "Average Difference" CB 3 0.872 -0.842 0.278 18770 18 1 3 "Average Difference" HN 44 0.396 -0.183 0.355 18770 19 1 4 "Average Difference" N 44 1.542 0.137 1.554 18770 20 1 4 "Average Difference" HA 52 0.238 -0.083 0.225 18770 21 1 4 "Average Difference" C 43 0.814 0.429 0.700 18770 22 1 4 "Average Difference" CA 45 0.896 0.101 0.901 18770 23 1 4 "Average Difference" CB 3 0.922 -0.895 0.274 18770 24 1 4 "Average Difference" HN 44 0.388 -0.165 0.355 18770 25 1 5 "Average Difference" N 44 1.526 -0.107 1.540 18770 26 1 5 "Average Difference" HA 52 0.250 -0.090 0.236 18770 27 1 5 "Average Difference" C 43 0.855 0.514 0.692 18770 28 1 5 "Average Difference" CA 45 0.949 0.121 0.952 18770 29 1 5 "Average Difference" CB 3 0.753 -0.721 0.266 18770 30 1 5 "Average Difference" HN 44 0.410 -0.156 0.384 18770 31 1 6 "Average Difference" N 44 1.942 -0.347 1.933 18770 32 1 6 "Average Difference" HA 52 0.247 -0.082 0.235 18770 33 1 6 "Average Difference" C 43 0.879 0.469 0.752 18770 34 1 6 "Average Difference" CA 45 0.901 0.072 0.908 18770 35 1 6 "Average Difference" CB 3 0.784 -0.762 0.226 18770 36 1 6 "Average Difference" HN 44 0.334 -0.144 0.304 18770 37 1 7 "Average Difference" N 44 1.736 -0.089 1.754 18770 38 1 7 "Average Difference" HA 52 0.259 -0.124 0.230 18770 39 1 7 "Average Difference" C 43 0.826 0.525 0.644 18770 40 1 7 "Average Difference" CA 45 0.878 0.215 0.861 18770 41 1 7 "Average Difference" CB 3 0.803 -0.793 0.159 18770 42 1 7 "Average Difference" HN 44 0.382 -0.190 0.336 18770 43 1 8 "Average Difference" N 44 1.647 0.016 1.666 18770 44 1 8 "Average Difference" HA 52 0.231 -0.072 0.222 18770 45 1 8 "Average Difference" C 43 0.829 0.436 0.714 18770 46 1 8 "Average Difference" CA 45 0.836 -0.027 0.845 18770 47 1 8 "Average Difference" CB 3 0.738 -0.725 0.173 18770 48 1 8 "Average Difference" HN 44 0.334 -0.105 0.321 18770 49 1 9 "Average Difference" N 44 1.743 -0.209 1.751 18770 50 1 9 "Average Difference" HA 52 0.251 -0.113 0.226 18770 51 1 9 "Average Difference" C 43 0.933 0.593 0.729 18770 52 1 9 "Average Difference" CA 45 0.918 0.258 0.891 18770 53 1 9 "Average Difference" CB 3 0.790 -0.773 0.199 18770 54 1 9 "Average Difference" HN 44 0.403 -0.197 0.356 18770 55 1 10 "Average Difference" N 44 1.994 -0.231 2.003 18770 56 1 10 "Average Difference" HA 52 0.258 -0.063 0.253 18770 57 1 10 "Average Difference" C 43 0.899 0.532 0.733 18770 58 1 10 "Average Difference" CA 45 0.881 0.060 0.889 18770 59 1 10 "Average Difference" CB 3 0.825 -0.800 0.243 18770 60 1 10 "Average Difference" HN 44 0.347 -0.134 0.324 18770 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 18770 _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 3 3 GLY N N 3 108.610 108.610 108.822 -0.212 18770 2 1 . 1 1 3 3 GLY C C 3 173.770 173.770 174.488 -0.718 18770 3 1 . 1 1 3 3 GLY CA C 3 45.260 45.260 44.867 0.392 18770 4 1 . 1 1 3 3 GLY H H 3 8.380 8.380 8.193 0.187 18770 5 1 . 1 1 4 4 ILE N N 4 120.930 120.930 120.508 0.422 18770 6 1 . 1 1 4 4 ILE HA H 4 4.390 4.390 4.097 0.293 18770 7 1 . 1 1 4 4 ILE C C 4 175.060 175.060 176.137 -1.077 18770 8 1 . 1 1 4 4 ILE CA C 4 60.630 60.630 61.513 -0.883 18770 9 1 . 1 1 4 4 ILE H H 4 7.660 7.660 7.994 -0.334 18770 10 1 . 1 1 5 5 SER N N 5 121.380 121.380 118.610 2.770 18770 11 1 . 1 1 5 5 SER HA H 5 4.720 4.720 4.506 0.214 18770 12 1 . 1 1 5 5 SER C C 5 175.650 175.650 175.647 0.003 18770 13 1 . 1 1 5 5 SER CA C 5 57.380 57.380 57.630 -0.251 18770 14 1 . 1 1 5 5 SER H H 5 8.210 8.210 8.143 0.067 18770 15 1 . 1 1 6 6 ILE N N 6 123.490 123.490 126.439 -2.949 18770 16 1 . 1 1 6 6 ILE HA H 6 3.810 3.810 3.901 -0.091 18770 17 1 . 1 1 6 6 ILE C C 6 176.630 176.630 177.162 -0.532 18770 18 1 . 1 1 6 6 ILE CA C 6 64.050 64.050 63.606 0.444 18770 19 1 . 1 1 6 6 ILE H H 6 9.140 9.140 8.796 0.344 18770 20 1 . 1 1 7 7 TRP N N 7 119.410 119.410 120.103 -0.693 18770 21 1 . 1 1 7 7 TRP HA H 7 4.420 4.420 4.234 0.186 18770 22 1 . 1 1 7 7 TRP C C 7 177.700 177.700 177.883 -0.183 18770 23 1 . 1 1 7 7 TRP CA C 7 59.660 59.660 60.899 -1.239 18770 24 1 . 1 1 7 7 TRP H H 7 7.580 7.580 7.974 -0.394 18770 25 1 . 1 1 8 8 GLN N N 8 118.180 118.180 118.373 -0.193 18770 26 1 . 1 1 8 8 GLN HA H 8 3.760 3.760 4.122 -0.362 18770 27 1 . 1 1 8 8 GLN C C 8 177.770 177.770 178.299 -0.529 18770 28 1 . 1 1 8 8 GLN CA C 8 59.500 59.500 58.884 0.616 18770 29 1 . 1 1 8 8 GLN H H 8 7.210 7.210 7.814 -0.605 18770 30 1 . 1 1 9 9 LEU N N 9 118.440 118.440 119.890 -1.450 18770 31 1 . 1 1 9 9 LEU HA H 9 3.940 3.940 4.046 -0.105 18770 32 1 . 1 1 9 9 LEU C C 9 178.140 178.140 178.891 -0.751 18770 33 1 . 1 1 9 9 LEU CA C 9 58.080 58.080 57.392 0.688 18770 34 1 . 1 1 9 9 LEU H H 9 7.740 7.740 7.803 -0.063 18770 35 1 . 1 1 10 10 LEU N N 10 118.570 118.570 120.519 -1.949 18770 36 1 . 1 1 10 10 LEU HA H 10 4.000 4.000 3.867 0.133 18770 37 1 . 1 1 10 10 LEU C C 10 177.920 177.920 179.042 -1.122 18770 38 1 . 1 1 10 10 LEU CA C 10 58.220 58.220 58.374 -0.154 18770 39 1 . 1 1 10 10 LEU H H 10 8.240 8.240 7.547 0.693 18770 40 1 . 1 1 11 11 ILE N N 11 118.100 118.100 119.786 -1.686 18770 41 1 . 1 1 11 11 ILE HA H 11 3.720 3.720 3.709 0.011 18770 42 1 . 1 1 11 11 ILE C C 11 177.290 177.290 177.628 -0.338 18770 43 1 . 1 1 11 11 ILE CA C 11 65.440 65.440 65.203 0.237 18770 44 1 . 1 1 11 11 ILE H H 11 7.750 7.750 7.769 -0.019 18770 45 1 . 1 1 12 12 ILE N N 12 119.200 119.200 119.926 -0.726 18770 46 1 . 1 1 12 12 ILE HA H 12 3.590 3.590 3.606 -0.016 18770 47 1 . 1 1 12 12 ILE C C 12 176.920 176.920 177.623 -0.703 18770 48 1 . 1 1 12 12 ILE CA C 12 65.670 65.670 65.417 0.253 18770 49 1 . 1 1 12 12 ILE H H 12 7.780 7.780 7.611 0.169 18770 50 1 . 1 1 13 13 ALA N N 13 121.380 121.380 122.584 -1.203 18770 51 1 . 1 1 13 13 ALA HA H 13 3.870 3.870 4.036 -0.166 18770 52 1 . 1 1 13 13 ALA C C 13 178.600 178.600 179.630 -1.030 18770 53 1 . 1 1 13 13 ALA CA C 13 55.960 55.960 55.399 0.561 18770 54 1 . 1 1 13 13 ALA CB C 13 18.640 18.640 18.075 0.566 18770 55 1 . 1 1 13 13 ALA H H 13 8.430 8.430 8.341 0.089 18770 56 1 . 1 1 14 14 VAL N N 14 116.960 116.960 119.391 -2.431 18770 57 1 . 1 1 14 14 VAL HA H 14 3.480 3.480 3.627 -0.147 18770 58 1 . 1 1 14 14 VAL C C 14 177.270 177.270 178.009 -0.739 18770 59 1 . 1 1 14 14 VAL CA C 14 67.530 67.530 66.684 0.846 18770 60 1 . 1 1 14 14 VAL H H 14 8.240 8.240 7.822 0.418 18770 61 1 . 1 1 15 15 ILE N N 15 119.670 119.670 120.225 -0.555 18770 62 1 . 1 1 15 15 ILE HA H 15 3.580 3.580 3.642 -0.062 18770 63 1 . 1 1 15 15 ILE C C 15 177.460 177.460 177.960 -0.500 18770 64 1 . 1 1 15 15 ILE CA C 15 66.420 66.420 65.747 0.673 18770 65 1 . 1 1 15 15 ILE H H 15 8.110 8.110 7.694 0.416 18770 66 1 . 1 1 16 16 VAL N N 16 118.470 118.470 119.880 -1.411 18770 67 1 . 1 1 16 16 VAL HA H 16 3.720 3.720 3.779 -0.059 18770 68 1 . 1 1 16 16 VAL C C 16 178.120 178.120 178.209 -0.089 18770 69 1 . 1 1 16 16 VAL CA C 16 67.830 67.830 67.252 0.578 18770 70 1 . 1 1 16 16 VAL H H 16 8.510 8.510 7.740 0.770 18770 71 1 . 1 1 17 17 VAL N N 17 120.380 120.380 119.516 0.864 18770 72 1 . 1 1 17 17 VAL HA H 17 3.570 3.570 3.676 -0.106 18770 73 1 . 1 1 17 17 VAL C C 17 178.080 178.080 178.411 -0.331 18770 74 1 . 1 1 17 17 VAL CA C 17 67.530 67.530 66.775 0.755 18770 75 1 . 1 1 17 17 VAL H H 17 8.380 8.380 7.645 0.735 18770 76 1 . 1 1 18 18 LEU N N 18 120.340 120.340 119.445 0.895 18770 77 1 . 1 1 18 18 LEU HA H 18 4.040 4.040 3.944 0.096 18770 78 1 . 1 1 18 18 LEU C C 18 177.820 177.820 178.773 -0.953 18770 79 1 . 1 1 18 18 LEU CA C 18 57.990 57.990 57.974 0.016 18770 80 1 . 1 1 18 18 LEU H H 18 8.360 8.360 7.875 0.485 18770 81 1 . 1 1 19 19 LEU N N 19 116.040 116.040 116.941 -0.901 18770 82 1 . 1 1 19 19 LEU HA H 19 4.050 4.050 3.967 0.083 18770 83 1 . 1 1 19 19 LEU C C 19 178.250 178.250 178.725 -0.475 18770 84 1 . 1 1 19 19 LEU CA C 19 57.270 57.270 57.430 -0.160 18770 85 1 . 1 1 19 19 LEU H H 19 8.190 8.190 7.973 0.217 18770 86 1 . 1 1 20 20 PHE N N 20 114.310 114.310 115.380 -1.070 18770 87 1 . 1 1 20 20 PHE HA H 20 4.010 4.010 4.507 -0.497 18770 88 1 . 1 1 20 20 PHE C C 20 177.000 177.000 175.894 1.106 18770 89 1 . 1 1 20 20 PHE CA C 20 59.230 59.230 59.020 0.210 18770 90 1 . 1 1 20 20 PHE H H 20 8.280 8.280 8.104 0.176 18770 91 1 . 1 1 21 21 GLY N N 21 109.420 109.420 107.567 1.853 18770 92 1 . 1 1 21 21 GLY CA C 21 46.430 46.430 44.711 1.719 18770 93 1 . 1 1 21 21 GLY H H 21 8.210 8.210 7.967 0.243 18770 94 1 . 1 1 22 22 PRO HA H 22 4.320 4.320 4.338 -0.018 18770 95 1 . 1 1 22 22 PRO C C 22 177.640 177.640 178.467 -0.827 18770 96 1 . 1 1 22 22 PRO CA C 22 65.000 65.000 64.510 0.490 18770 97 1 . 1 1 23 23 LYS N N 23 118.970 118.970 120.416 -1.446 18770 98 1 . 1 1 23 23 LYS HA H 23 4.170 4.170 4.066 0.104 18770 99 1 . 1 1 23 23 LYS C C 23 178.650 178.650 178.605 0.045 18770 100 1 . 1 1 23 23 LYS CA C 23 59.150 59.150 59.461 -0.311 18770 101 1 . 1 1 23 23 LYS H H 23 8.450 8.450 8.273 0.177 18770 102 1 . 1 1 24 24 LYS N N 24 119.990 119.990 119.411 0.579 18770 103 1 . 1 1 24 24 LYS HA H 24 4.330 4.330 4.129 0.201 18770 104 1 . 1 1 24 24 LYS C C 24 177.950 177.950 179.046 -1.096 18770 105 1 . 1 1 24 24 LYS CA C 24 57.190 57.190 58.976 -1.786 18770 106 1 . 1 1 24 24 LYS H H 24 8.160 8.160 7.692 0.468 18770 107 1 . 1 1 25 25 LEU N N 25 119.390 119.390 120.083 -0.693 18770 108 1 . 1 1 25 25 LEU HA H 25 4.130 4.130 4.053 0.077 18770 109 1 . 1 1 25 25 LEU C C 25 177.980 177.980 178.586 -0.606 18770 110 1 . 1 1 25 25 LEU CA C 25 57.130 57.130 57.600 -0.470 18770 111 1 . 1 1 25 25 LEU H H 25 7.850 7.850 7.677 0.173 18770 112 1 . 1 1 26 26 GLY N N 26 105.890 105.890 106.941 -1.051 18770 113 1 . 1 1 26 26 GLY C C 26 175.110 175.110 175.933 -0.823 18770 114 1 . 1 1 26 26 GLY CA C 26 46.790 46.790 47.479 -0.689 18770 115 1 . 1 1 26 26 GLY H H 26 8.280 8.280 8.012 0.268 18770 116 1 . 1 1 27 27 SER N N 27 117.000 117.000 118.327 -1.327 18770 117 1 . 1 1 27 27 SER HA H 27 4.440 4.440 4.235 0.205 18770 118 1 . 1 1 27 27 SER C C 27 175.750 175.750 176.833 -1.084 18770 119 1 . 1 1 27 27 SER CA C 27 60.190 60.190 61.715 -1.525 18770 120 1 . 1 1 27 27 SER H H 27 8.020 8.020 7.610 0.410 18770 121 1 . 1 1 28 28 ILE N N 28 121.650 121.650 122.652 -1.002 18770 122 1 . 1 1 28 28 ILE HA H 28 4.090 4.090 3.758 0.332 18770 123 1 . 1 1 28 28 ILE C C 28 177.040 177.040 178.030 -0.990 18770 124 1 . 1 1 28 28 ILE CA C 28 63.660 63.660 65.248 -1.588 18770 125 1 . 1 1 28 28 ILE H H 28 7.870 7.870 8.303 -0.433 18770 126 1 . 1 1 29 29 GLY N N 29 108.410 108.410 107.599 0.811 18770 127 1 . 1 1 29 29 GLY C C 29 174.580 174.580 176.133 -1.553 18770 128 1 . 1 1 29 29 GLY CA C 29 46.680 46.680 47.317 -0.637 18770 129 1 . 1 1 29 29 GLY H H 29 8.370 8.370 8.379 -0.009 18770 130 1 . 1 1 30 30 SER N N 30 116.090 116.090 116.884 -0.794 18770 131 1 . 1 1 30 30 SER HA H 30 4.320 4.320 4.087 0.233 18770 132 1 . 1 1 30 30 SER C C 30 175.830 175.830 176.119 -0.289 18770 133 1 . 1 1 30 30 SER CA C 30 60.770 60.770 61.565 -0.795 18770 134 1 . 1 1 30 30 SER H H 30 8.060 8.060 8.147 -0.087 18770 135 1 . 1 1 31 31 ASP N N 31 122.820 122.820 121.372 1.448 18770 136 1 . 1 1 31 31 ASP HA H 31 4.620 4.620 4.488 0.132 18770 137 1 . 1 1 31 31 ASP C C 31 177.690 177.690 179.007 -1.317 18770 138 1 . 1 1 31 31 ASP CA C 31 55.710 55.710 56.704 -0.994 18770 139 1 . 1 1 31 31 ASP H H 31 8.240 8.240 8.079 0.161 18770 140 1 . 1 1 32 32 LEU N N 32 123.090 123.090 119.312 3.778 18770 141 1 . 1 1 32 32 LEU HA H 32 4.190 4.190 4.303 -0.113 18770 142 1 . 1 1 32 32 LEU C C 32 178.580 178.580 178.981 -0.400 18770 143 1 . 1 1 32 32 LEU CA C 32 57.510 57.510 56.136 1.374 18770 144 1 . 1 1 32 32 LEU H H 32 8.390 8.390 8.197 0.193 18770 145 1 . 1 1 33 33 GLY N N 33 107.330 107.330 106.165 1.165 18770 146 1 . 1 1 33 33 GLY C C 33 175.560 175.560 174.508 1.052 18770 147 1 . 1 1 33 33 GLY CA C 33 47.230 47.230 45.741 1.489 18770 148 1 . 1 1 33 33 GLY H H 33 8.560 8.560 8.489 0.071 18770 149 1 . 1 1 34 34 ALA N N 34 123.920 123.920 123.960 -0.040 18770 150 1 . 1 1 34 34 ALA HA H 34 4.210 4.210 4.125 0.085 18770 151 1 . 1 1 34 34 ALA C C 34 180.040 180.040 179.213 0.827 18770 152 1 . 1 1 34 34 ALA CA C 34 54.700 54.700 54.846 -0.146 18770 153 1 . 1 1 34 34 ALA CB C 34 19.290 19.290 18.489 0.801 18770 154 1 . 1 1 34 34 ALA H H 34 8.090 8.090 7.467 0.623 18770 155 1 . 1 1 35 35 SER N N 35 116.060 116.060 114.865 1.195 18770 156 1 . 1 1 35 35 SER HA H 35 4.400 4.400 4.246 0.154 18770 157 1 . 1 1 35 35 SER C C 35 175.630 175.630 176.608 -0.978 18770 158 1 . 1 1 35 35 SER CA C 35 61.660 61.660 61.411 0.249 18770 159 1 . 1 1 35 35 SER H H 35 8.040 8.040 7.672 0.368 18770 160 1 . 1 1 36 36 ILE N N 36 122.330 122.330 122.462 -0.132 18770 161 1 . 1 1 36 36 ILE HA H 36 3.880 3.880 3.552 0.328 18770 162 1 . 1 1 36 36 ILE C C 36 177.330 177.330 177.362 -0.032 18770 163 1 . 1 1 36 36 ILE CA C 36 64.520 64.520 64.820 -0.300 18770 164 1 . 1 1 36 36 ILE H H 36 8.280 8.280 7.726 0.554 18770 165 1 . 1 1 37 37 LYS N N 37 121.050 121.050 120.410 0.639 18770 166 1 . 1 1 37 37 LYS HA H 37 4.040 4.040 3.987 0.053 18770 167 1 . 1 1 37 37 LYS C C 37 178.950 178.950 179.083 -0.133 18770 168 1 . 1 1 37 37 LYS CA C 37 59.730 59.730 60.217 -0.487 18770 169 1 . 1 1 37 37 LYS H H 37 8.130 8.130 8.046 0.084 18770 170 1 . 1 1 38 38 GLY N N 38 107.750 107.750 107.067 0.683 18770 171 1 . 1 1 38 38 GLY C C 38 175.870 175.870 176.455 -0.585 18770 172 1 . 1 1 38 38 GLY CA C 38 46.630 46.630 47.195 -0.565 18770 173 1 . 1 1 38 38 GLY H H 38 8.210 8.210 7.818 0.392 18770 174 1 . 1 1 39 39 PHE N N 39 123.190 123.190 122.284 0.906 18770 175 1 . 1 1 39 39 PHE HA H 39 4.420 4.420 4.234 0.186 18770 176 1 . 1 1 39 39 PHE C C 39 176.510 176.510 177.645 -1.135 18770 177 1 . 1 1 39 39 PHE CA C 39 60.330 60.330 60.818 -0.488 18770 178 1 . 1 1 39 39 PHE H H 39 8.130 8.130 7.942 0.188 18770 179 1 . 1 1 40 40 LYS N N 40 119.830 119.830 119.676 0.154 18770 180 1 . 1 1 40 40 LYS HA H 40 3.960 3.960 3.978 -0.018 18770 181 1 . 1 1 40 40 LYS C C 40 178.330 178.330 178.169 0.161 18770 182 1 . 1 1 40 40 LYS CA C 40 59.210 59.210 59.507 -0.297 18770 183 1 . 1 1 40 40 LYS H H 40 8.260 8.260 8.310 -0.050 18770 184 1 . 1 1 41 41 LYS N N 41 121.010 121.010 118.103 2.907 18770 185 1 . 1 1 41 41 LYS HA H 41 4.140 4.140 4.075 0.065 18770 186 1 . 1 1 41 41 LYS C C 41 177.790 177.790 179.198 -1.408 18770 187 1 . 1 1 41 41 LYS CA C 41 58.380 58.380 59.015 -0.635 18770 188 1 . 1 1 41 41 LYS H H 41 8.040 8.040 7.946 0.094 18770 189 1 . 1 1 42 42 ALA N N 42 122.920 122.920 122.324 0.596 18770 190 1 . 1 1 42 42 ALA HA H 42 4.250 4.250 4.051 0.199 18770 191 1 . 1 1 42 42 ALA C C 42 178.430 178.430 179.508 -1.078 18770 192 1 . 1 1 42 42 ALA CA C 42 53.900 53.900 54.805 -0.905 18770 193 1 . 1 1 42 42 ALA CB C 42 19.490 19.490 18.505 0.985 18770 194 1 . 1 1 42 42 ALA H H 42 7.950 7.950 8.248 -0.298 18770 195 1 . 1 1 43 43 MET N N 43 116.170 116.170 115.938 0.232 18770 196 1 . 1 1 43 43 MET HA H 43 4.450 4.450 4.370 0.080 18770 197 1 . 1 1 43 43 MET C C 43 176.270 176.270 176.356 -0.086 18770 198 1 . 1 1 43 43 MET CA C 43 55.630 55.630 55.656 -0.027 18770 199 1 . 1 1 43 43 MET H H 43 7.790 7.790 7.913 -0.123 18770 200 1 . 1 1 44 44 SER N N 44 115.560 115.560 114.758 0.802 18770 201 1 . 1 1 44 44 SER HA H 44 4.490 4.490 4.342 0.148 18770 202 1 . 1 1 44 44 SER C C 44 173.990 173.990 174.824 -0.833 18770 203 1 . 1 1 44 44 SER CA C 44 58.750 58.750 58.919 -0.169 18770 204 1 . 1 1 44 44 SER H H 44 7.850 7.850 7.872 -0.022 18770 205 1 . 1 1 45 45 ASP N N 45 123.440 123.440 122.383 1.057 18770 206 1 . 1 1 45 45 ASP HA H 45 4.510 4.510 4.539 -0.029 18770 207 1 . 1 1 45 45 ASP C C 45 175.930 175.930 176.574 -0.644 18770 208 1 . 1 1 45 45 ASP CA C 45 54.600 54.600 55.814 -1.214 18770 209 1 . 1 1 45 45 ASP H H 45 8.330 8.330 8.034 0.296 18770 210 1 . 1 1 46 46 ASP N N 46 121.600 121.600 118.809 2.791 18770 211 1 . 1 1 46 46 ASP HA H 46 4.610 4.610 4.657 -0.047 18770 212 1 . 1 1 46 46 ASP C C 46 176.040 176.040 174.675 1.365 18770 213 1 . 1 1 46 46 ASP CA C 46 54.410 54.410 54.188 0.221 18770 214 1 . 1 1 46 46 ASP H H 46 8.260 8.260 7.996 0.264 18770 215 1 . 1 1 47 47 GLU N N 47 123.340 123.340 119.700 3.640 18770 216 1 . 1 1 47 47 GLU HA H 47 4.550 4.550 4.567 -0.017 18770 217 1 . 1 1 47 47 GLU CA C 47 54.680 54.680 54.731 -0.051 18770 218 1 . 1 1 47 47 GLU H H 47 8.190 8.190 8.236 -0.046 18770 219 1 . 1 1 48 48 PRO HA H 48 4.240 4.240 4.416 -0.176 18770 stop_ save_