data_18010 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18010 _Entry.PDB_ID 2LKS 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 18010 _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 4 4 LYS N N 14 123.250 123.250 120.786 2.464 18010 2 1 1 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.019 0.161 18010 3 1 1 . 1 1 4 4 LYS C C 14 177.770 177.770 177.745 0.025 18010 4 1 1 . 1 1 4 4 LYS CA C 14 57.620 57.620 58.582 -0.962 18010 5 1 1 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.747 0.833 18010 6 1 1 . 1 1 4 4 LYS H H 14 8.480 8.480 8.522 -0.042 18010 7 1 1 . 1 1 5 5 GLU N N 15 121.270 121.270 119.828 1.442 18010 8 1 1 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.109 0.101 18010 9 1 1 . 1 1 5 5 GLU C C 15 177.390 177.390 178.859 -1.469 18010 10 1 1 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.111 -1.371 18010 11 1 1 . 1 1 5 5 GLU CB C 15 29.960 29.960 28.885 1.075 18010 12 1 1 . 1 1 5 5 GLU H H 15 8.330 8.330 8.435 -0.105 18010 13 1 1 . 1 1 6 6 GLU N N 16 121.480 121.480 119.763 1.717 18010 14 1 1 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.358 -0.198 18010 15 1 1 . 1 1 6 6 GLU C C 16 177.740 177.740 178.803 -1.063 18010 16 1 1 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.059 -1.319 18010 17 1 1 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.453 0.507 18010 18 1 1 . 1 1 6 6 GLU H H 16 8.350 8.350 8.297 0.053 18010 19 1 1 . 1 1 7 7 ALA N N 17 124.390 124.390 121.865 2.525 18010 20 1 1 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.104 0.086 18010 21 1 1 . 1 1 7 7 ALA C C 17 178.580 178.580 179.570 -0.990 18010 22 1 1 . 1 1 7 7 ALA CA C 17 53.630 53.630 55.001 -1.371 18010 23 1 1 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.291 0.579 18010 24 1 1 . 1 1 7 7 ALA H H 17 8.230 8.230 7.955 0.275 18010 25 1 1 . 1 1 8 8 LYS N N 18 119.380 119.380 118.795 0.585 18010 26 1 1 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.995 0.015 18010 27 1 1 . 1 1 8 8 LYS C C 18 177.960 177.960 179.271 -1.311 18010 28 1 1 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.730 -1.670 18010 29 1 1 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.319 0.422 18010 30 1 1 . 1 1 8 8 LYS H H 18 8.070 8.070 7.653 0.417 18010 31 1 1 . 1 1 9 9 GLN N N 19 120.230 120.230 118.736 1.494 18010 32 1 1 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.084 0.146 18010 33 1 1 . 1 1 9 9 GLN C C 19 176.550 176.550 178.451 -1.901 18010 34 1 1 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.756 -1.566 18010 35 1 1 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.586 0.234 18010 36 1 1 . 1 1 9 9 GLN H H 19 8.140 8.140 7.782 0.358 18010 37 1 1 . 1 1 10 10 ALA N N 20 123.740 123.740 123.079 0.661 18010 38 1 1 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.114 0.086 18010 39 1 1 . 1 1 10 10 ALA C C 20 178.730 178.730 179.212 -0.482 18010 40 1 1 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.876 -1.056 18010 41 1 1 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.418 0.422 18010 42 1 1 . 1 1 10 10 ALA H H 20 8.180 8.180 7.737 0.443 18010 43 1 1 . 1 1 11 11 PHE N N 21 118.790 118.790 119.030 -0.240 18010 44 1 1 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.140 0.260 18010 45 1 1 . 1 1 11 11 PHE C C 21 176.380 176.380 177.292 -0.912 18010 46 1 1 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.413 -2.293 18010 47 1 1 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.258 0.062 18010 48 1 1 . 1 1 11 11 PHE H H 21 8.180 8.180 7.783 0.397 18010 49 1 1 . 1 1 12 12 LYS N N 22 120.470 120.470 118.809 1.661 18010 50 1 1 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.819 0.191 18010 51 1 1 . 1 1 12 12 LYS C C 22 177.950 177.950 179.087 -1.137 18010 52 1 1 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.011 -1.292 18010 53 1 1 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.279 0.491 18010 54 1 1 . 1 1 12 12 LYS H H 22 7.980 7.980 7.822 0.158 18010 55 1 1 . 1 1 13 13 GLU N N 23 120.060 120.060 119.822 0.238 18010 56 1 1 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.022 0.158 18010 57 1 1 . 1 1 13 13 GLU C C 23 178.170 178.170 179.019 -0.849 18010 58 1 1 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.142 -2.302 18010 59 1 1 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.606 -0.116 18010 60 1 1 . 1 1 13 13 GLU H H 23 8.140 8.140 8.160 -0.020 18010 61 1 1 . 1 1 14 14 LEU N N 24 122.360 122.360 122.235 0.125 18010 62 1 1 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.046 0.354 18010 63 1 1 . 1 1 14 14 LEU C C 24 178.260 178.260 178.321 -0.061 18010 64 1 1 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.799 -0.959 18010 65 1 1 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.827 0.263 18010 66 1 1 . 1 1 14 14 LEU H H 24 8.030 8.030 8.222 -0.192 18010 67 1 1 . 1 1 15 15 LEU N N 25 120.260 120.260 117.604 2.656 18010 68 1 1 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.735 0.325 18010 69 1 1 . 1 1 15 15 LEU C C 25 177.990 177.990 178.314 -0.324 18010 70 1 1 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.574 -1.034 18010 71 1 1 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.456 0.464 18010 72 1 1 . 1 1 15 15 LEU H H 25 7.990 7.990 7.579 0.411 18010 73 1 1 . 1 1 16 16 LYS N N 26 120.680 120.680 115.857 4.823 18010 74 1 1 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.987 0.213 18010 75 1 1 . 1 1 16 16 LYS C C 26 177.940 177.940 178.280 -0.340 18010 76 1 1 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.785 -1.175 18010 77 1 1 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.647 0.153 18010 78 1 1 . 1 1 16 16 LYS H H 26 7.890 7.890 7.512 0.378 18010 79 1 1 . 1 1 17 17 GLU N N 27 120.470 120.470 118.192 2.278 18010 80 1 1 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.130 0.050 18010 81 1 1 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.161 -1.151 18010 82 1 1 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.180 -1.250 18010 83 1 1 . 1 1 17 17 GLU H H 27 8.170 8.170 7.951 0.219 18010 84 1 1 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.235 0.015 18010 85 1 1 . 1 1 19 19 ARG C C 29 175.920 175.920 175.757 0.163 18010 86 1 1 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.342 -0.402 18010 87 1 1 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.885 -0.705 18010 88 1 1 . 1 1 20 20 VAL N N 30 121.110 121.110 123.477 -2.367 18010 89 1 1 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.396 -0.066 18010 90 1 1 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.949 -0.289 18010 91 1 1 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.646 0.134 18010 92 1 1 . 1 1 20 20 VAL H H 30 7.990 7.990 8.314 -0.324 18010 93 1 1 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.436 -0.016 18010 94 1 1 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.120 -0.420 18010 95 1 1 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.462 -0.072 18010 96 1 1 . 1 1 22 22 SER N N 32 116.500 116.500 118.335 -1.835 18010 97 1 1 . 1 1 22 22 SER HA H 32 4.310 4.310 4.141 0.169 18010 98 1 1 . 1 1 22 22 SER C C 32 174.600 174.600 175.534 -0.934 18010 99 1 1 . 1 1 22 22 SER CA C 32 59.370 59.370 60.693 -1.323 18010 100 1 1 . 1 1 22 22 SER CB C 32 63.870 63.870 63.523 0.347 18010 101 1 1 . 1 1 22 22 SER H H 32 8.530 8.530 8.523 0.007 18010 102 1 1 . 1 1 23 23 ASN N N 33 119.050 119.050 119.090 -0.040 18010 103 1 1 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.630 0.090 18010 104 1 1 . 1 1 23 23 ASN C C 33 175.220 175.220 176.087 -0.867 18010 105 1 1 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.374 -1.424 18010 106 1 1 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.891 0.409 18010 107 1 1 . 1 1 23 23 ASN H H 33 8.310 8.310 8.320 -0.010 18010 108 1 1 . 1 1 24 24 ALA N N 34 123.610 123.610 121.456 2.154 18010 109 1 1 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.219 0.081 18010 110 1 1 . 1 1 24 24 ALA C C 34 178.100 178.100 176.494 1.606 18010 111 1 1 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.862 0.158 18010 112 1 1 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.723 -0.463 18010 113 1 1 . 1 1 24 24 ALA H H 34 7.960 7.960 7.405 0.555 18010 114 1 1 . 1 1 25 25 SER N N 35 116.140 116.140 111.984 4.156 18010 115 1 1 . 1 1 25 25 SER HA H 35 4.490 4.490 4.530 -0.040 18010 116 1 1 . 1 1 25 25 SER C C 35 175.380 175.380 174.276 1.104 18010 117 1 1 . 1 1 25 25 SER CA C 35 58.290 58.290 57.340 0.950 18010 118 1 1 . 1 1 25 25 SER CB C 35 64.100 64.100 65.060 -0.960 18010 119 1 1 . 1 1 25 25 SER H H 35 8.350 8.350 7.911 0.439 18010 120 1 1 . 1 1 26 26 TRP N N 36 123.670 123.670 124.688 -1.018 18010 121 1 1 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.439 -0.129 18010 122 1 1 . 1 1 26 26 TRP C C 36 177.060 177.060 177.365 -0.305 18010 123 1 1 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.793 -1.603 18010 124 1 1 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.607 -0.887 18010 125 1 1 . 1 1 26 26 TRP H H 36 8.570 8.570 9.041 -0.471 18010 126 1 1 . 1 1 27 27 GLU N N 37 119.050 119.050 117.438 1.612 18010 127 1 1 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.908 -0.168 18010 128 1 1 . 1 1 27 27 GLU C C 37 178.570 178.570 178.848 -0.278 18010 129 1 1 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.969 -0.509 18010 130 1 1 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.283 0.017 18010 131 1 1 . 1 1 27 27 GLU H H 37 8.320 8.320 8.637 -0.317 18010 132 1 1 . 1 1 28 28 GLN N N 38 118.900 118.900 118.898 0.002 18010 133 1 1 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.023 -0.043 18010 134 1 1 . 1 1 28 28 GLN C C 38 177.940 177.940 178.414 -0.474 18010 135 1 1 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.396 -1.766 18010 136 1 1 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010 137 1 1 . 1 1 28 28 GLN H H 38 7.790 7.790 7.463 0.327 18010 138 1 1 . 1 1 29 29 ALA N N 39 122.810 122.810 122.285 0.525 18010 139 1 1 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.974 0.006 18010 140 1 1 . 1 1 29 29 ALA C C 39 179.110 179.110 179.285 -0.175 18010 141 1 1 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.654 -0.094 18010 142 1 1 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.279 0.301 18010 143 1 1 . 1 1 29 29 ALA H H 39 8.170 8.170 8.249 -0.079 18010 144 1 1 . 1 1 30 30 MET N N 40 116.270 116.270 116.929 -0.659 18010 145 1 1 . 1 1 30 30 MET HA H 40 4.070 4.070 3.816 0.254 18010 146 1 1 . 1 1 30 30 MET C C 40 177.710 177.710 178.500 -0.790 18010 147 1 1 . 1 1 30 30 MET CA C 40 56.930 56.930 58.946 -2.016 18010 148 1 1 . 1 1 30 30 MET CB C 40 32.000 32.000 32.366 -0.366 18010 149 1 1 . 1 1 30 30 MET H H 40 8.150 8.150 7.987 0.163 18010 150 1 1 . 1 1 31 31 LYS N N 41 118.730 118.730 118.901 -0.171 18010 151 1 1 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.885 0.075 18010 152 1 1 . 1 1 31 31 LYS C C 41 177.860 177.860 178.920 -1.060 18010 153 1 1 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.371 -0.791 18010 154 1 1 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.059 0.381 18010 155 1 1 . 1 1 31 31 LYS H H 41 7.620 7.620 7.524 0.096 18010 156 1 1 . 1 1 32 32 MET N N 42 117.330 117.330 118.495 -1.165 18010 157 1 1 . 1 1 32 32 MET HA H 42 4.260 4.260 4.055 0.205 18010 158 1 1 . 1 1 32 32 MET C C 42 177.460 177.460 178.565 -1.105 18010 159 1 1 . 1 1 32 32 MET CA C 42 57.230 57.230 59.409 -2.179 18010 160 1 1 . 1 1 32 32 MET CB C 42 32.850 32.850 32.677 0.173 18010 161 1 1 . 1 1 32 32 MET H H 42 7.680 7.680 7.614 0.066 18010 162 1 1 . 1 1 33 33 ILE N N 43 118.210 118.210 116.377 1.833 18010 163 1 1 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.787 0.263 18010 164 1 1 . 1 1 33 33 ILE C C 43 176.780 176.780 177.128 -0.348 18010 165 1 1 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.135 -1.304 18010 166 1 1 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.531 1.169 18010 167 1 1 . 1 1 33 33 ILE H H 43 7.740 7.740 7.304 0.436 18010 168 1 1 . 1 1 34 34 ILE N N 44 119.000 119.000 119.184 -0.184 18010 169 1 1 . 1 1 34 34 ILE HA H 44 4.110 4.110 2.988 1.122 18010 170 1 1 . 1 1 34 34 ILE C C 44 175.920 175.920 177.053 -1.133 18010 171 1 1 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.151 -1.471 18010 172 1 1 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.530 1.380 18010 173 1 1 . 1 1 34 34 ILE H H 44 7.770 7.770 7.334 0.436 18010 174 1 1 . 1 1 35 35 ASN N N 45 118.210 118.210 116.133 2.077 18010 175 1 1 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.485 0.235 18010 176 1 1 . 1 1 35 35 ASN C C 45 174.600 174.600 175.770 -1.170 18010 177 1 1 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.584 -1.355 18010 178 1 1 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.491 0.599 18010 179 1 1 . 1 1 35 35 ASN H H 45 7.870 7.870 7.690 0.180 18010 180 1 1 . 1 1 36 36 ASP N N 46 123.510 123.510 121.201 2.309 18010 181 1 1 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.639 0.291 18010 182 1 1 . 1 1 36 36 ASP C C 46 175.630 175.630 175.993 -0.363 18010 183 1 1 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.394 -2.424 18010 184 1 1 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.581 1.549 18010 185 1 1 . 1 1 36 36 ASP H H 46 7.920 7.920 7.383 0.537 18010 186 1 1 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.177 0.273 18010 187 1 1 . 1 1 37 37 PRO C C 47 178.100 178.100 178.309 -0.209 18010 188 1 1 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.305 -1.215 18010 189 1 1 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.876 0.164 18010 190 1 1 . 1 1 38 38 ARG N N 48 118.490 118.490 116.362 2.128 18010 191 1 1 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.026 0.064 18010 192 1 1 . 1 1 38 38 ARG C C 48 177.700 177.700 178.416 -0.716 18010 193 1 1 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.397 -1.587 18010 194 1 1 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.834 0.326 18010 195 1 1 . 1 1 38 38 ARG H H 48 8.780 8.780 8.231 0.549 18010 196 1 1 . 1 1 39 39 TYR N N 49 118.350 118.350 120.899 -2.549 18010 197 1 1 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.116 0.414 18010 198 1 1 . 1 1 39 39 TYR C C 49 176.550 176.550 176.831 -0.281 18010 199 1 1 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.730 -2.780 18010 200 1 1 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.345 0.645 18010 201 1 1 . 1 1 39 39 TYR H H 49 7.900 7.900 8.687 -0.787 18010 202 1 1 . 1 1 40 40 SER N N 50 115.790 115.790 115.392 0.398 18010 203 1 1 . 1 1 40 40 SER HA H 50 4.230 4.230 3.928 0.302 18010 204 1 1 . 1 1 40 40 SER C C 50 175.570 175.570 176.512 -0.942 18010 205 1 1 . 1 1 40 40 SER CA C 50 60.080 60.080 61.300 -1.220 18010 206 1 1 . 1 1 40 40 SER CB C 50 63.230 63.230 62.789 0.440 18010 207 1 1 . 1 1 40 40 SER H H 50 7.930 7.930 7.935 -0.005 18010 208 1 1 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.097 0.133 18010 209 1 1 . 1 1 41 41 ALA C C 51 178.570 178.570 179.522 -0.952 18010 210 1 1 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.654 -0.774 18010 211 1 1 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.289 0.551 18010 212 1 1 . 1 1 41 41 ALA H H 51 8.180 8.180 7.410 0.770 18010 213 1 1 . 1 1 42 42 LEU N N 52 118.900 118.900 119.482 -0.582 18010 214 1 1 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.886 0.284 18010 215 1 1 . 1 1 42 42 LEU C C 52 178.140 178.140 179.024 -0.884 18010 216 1 1 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.517 -1.357 18010 217 1 1 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.641 0.429 18010 218 1 1 . 1 1 42 42 LEU H H 52 7.790 7.790 8.087 -0.297 18010 219 1 1 . 1 1 43 43 ALA N N 53 122.850 122.850 121.051 1.799 18010 220 1 1 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.944 0.166 18010 221 1 1 . 1 1 43 43 ALA C C 53 178.490 178.490 178.852 -0.362 18010 222 1 1 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.258 -0.668 18010 223 1 1 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.694 0.146 18010 224 1 1 . 1 1 43 43 ALA H H 53 7.990 7.990 7.725 0.265 18010 225 1 1 . 1 1 44 44 LYS N N 54 118.370 118.370 117.957 0.413 18010 226 1 1 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.087 0.143 18010 227 1 1 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.463 -0.493 18010 228 1 1 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.911 -0.311 18010 229 1 1 . 1 1 44 44 LYS H H 54 7.850 7.850 7.605 0.245 18010 230 1 1 . 1 1 45 45 LEU N N 55 121.540 121.540 118.182 3.358 18010 231 1 1 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.878 0.402 18010 232 1 1 . 1 1 45 45 LEU C C 55 177.790 177.790 175.453 2.337 18010 233 1 1 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.391 -0.341 18010 234 1 1 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.070 1.150 18010 235 1 1 . 1 1 45 45 LEU H H 55 7.920 7.920 8.165 -0.245 18010 236 1 2 . 1 1 4 4 LYS N N 14 123.250 123.250 120.415 2.835 18010 237 1 2 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.043 0.137 18010 238 1 2 . 1 1 4 4 LYS C C 14 177.770 177.770 177.198 0.572 18010 239 1 2 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.197 0.423 18010 240 1 2 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.020 0.560 18010 241 1 2 . 1 1 4 4 LYS H H 14 8.480 8.480 8.327 0.153 18010 242 1 2 . 1 1 5 5 GLU N N 15 121.270 121.270 119.785 1.485 18010 243 1 2 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.002 0.208 18010 244 1 2 . 1 1 5 5 GLU C C 15 177.390 177.390 178.256 -0.866 18010 245 1 2 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.101 -1.361 18010 246 1 2 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.755 0.205 18010 247 1 2 . 1 1 5 5 GLU H H 15 8.330 8.330 8.630 -0.300 18010 248 1 2 . 1 1 6 6 GLU N N 16 121.480 121.480 119.443 2.037 18010 249 1 2 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.353 -0.193 18010 250 1 2 . 1 1 6 6 GLU C C 16 177.740 177.740 178.644 -0.904 18010 251 1 2 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.351 -1.611 18010 252 1 2 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.355 0.605 18010 253 1 2 . 1 1 6 6 GLU H H 16 8.350 8.350 8.741 -0.391 18010 254 1 2 . 1 1 7 7 ALA N N 17 124.390 124.390 121.892 2.498 18010 255 1 2 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.150 0.040 18010 256 1 2 . 1 1 7 7 ALA C C 17 178.580 178.580 179.482 -0.902 18010 257 1 2 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.752 -1.122 18010 258 1 2 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.110 0.760 18010 259 1 2 . 1 1 7 7 ALA H H 17 8.230 8.230 8.260 -0.030 18010 260 1 2 . 1 1 8 8 LYS N N 18 119.380 119.380 119.066 0.314 18010 261 1 2 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.999 0.011 18010 262 1 2 . 1 1 8 8 LYS C C 18 177.960 177.960 178.902 -0.942 18010 263 1 2 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.540 -1.480 18010 264 1 2 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.334 0.406 18010 265 1 2 . 1 1 8 8 LYS H H 18 8.070 8.070 7.722 0.348 18010 266 1 2 . 1 1 9 9 GLN N N 19 120.230 120.230 118.338 1.892 18010 267 1 2 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.080 0.150 18010 268 1 2 . 1 1 9 9 GLN C C 19 176.550 176.550 178.492 -1.942 18010 269 1 2 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.679 -1.490 18010 270 1 2 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.646 0.174 18010 271 1 2 . 1 1 9 9 GLN H H 19 8.140 8.140 7.787 0.353 18010 272 1 2 . 1 1 10 10 ALA N N 20 123.740 123.740 123.108 0.632 18010 273 1 2 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.110 0.090 18010 274 1 2 . 1 1 10 10 ALA C C 20 178.730 178.730 179.208 -0.478 18010 275 1 2 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.868 -1.048 18010 276 1 2 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.436 0.404 18010 277 1 2 . 1 1 10 10 ALA H H 20 8.180 8.180 7.807 0.373 18010 278 1 2 . 1 1 11 11 PHE N N 21 118.790 118.790 119.600 -0.810 18010 279 1 2 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.121 0.279 18010 280 1 2 . 1 1 11 11 PHE C C 21 176.380 176.380 177.137 -0.757 18010 281 1 2 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.371 -2.251 18010 282 1 2 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.279 0.041 18010 283 1 2 . 1 1 11 11 PHE H H 21 8.180 8.180 7.907 0.273 18010 284 1 2 . 1 1 12 12 LYS N N 22 120.470 120.470 119.541 0.929 18010 285 1 2 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.798 0.212 18010 286 1 2 . 1 1 12 12 LYS C C 22 177.950 177.950 178.849 -0.899 18010 287 1 2 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.903 -1.183 18010 288 1 2 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.327 0.443 18010 289 1 2 . 1 1 12 12 LYS H H 22 7.980 7.980 7.798 0.182 18010 290 1 2 . 1 1 13 13 GLU N N 23 120.060 120.060 119.423 0.637 18010 291 1 2 . 1 1 13 13 GLU HA H 23 4.180 4.180 3.998 0.182 18010 292 1 2 . 1 1 13 13 GLU C C 23 178.170 178.170 179.063 -0.893 18010 293 1 2 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.075 -2.236 18010 294 1 2 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.642 -0.152 18010 295 1 2 . 1 1 13 13 GLU H H 23 8.140 8.140 8.010 0.130 18010 296 1 2 . 1 1 14 14 LEU N N 24 122.360 122.360 122.059 0.301 18010 297 1 2 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.046 0.354 18010 298 1 2 . 1 1 14 14 LEU C C 24 178.260 178.260 178.190 0.070 18010 299 1 2 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.763 -0.923 18010 300 1 2 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.818 0.272 18010 301 1 2 . 1 1 14 14 LEU H H 24 8.030 8.030 8.238 -0.208 18010 302 1 2 . 1 1 15 15 LEU N N 25 120.260 120.260 119.001 1.259 18010 303 1 2 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.730 0.330 18010 304 1 2 . 1 1 15 15 LEU C C 25 177.990 177.990 178.716 -0.726 18010 305 1 2 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.578 -1.038 18010 306 1 2 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.392 0.528 18010 307 1 2 . 1 1 15 15 LEU H H 25 7.990 7.990 7.597 0.393 18010 308 1 2 . 1 1 16 16 LYS N N 26 120.680 120.680 118.121 2.559 18010 309 1 2 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.963 0.237 18010 310 1 2 . 1 1 16 16 LYS C C 26 177.940 177.940 178.412 -0.472 18010 311 1 2 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.163 -1.553 18010 312 1 2 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.552 0.248 18010 313 1 2 . 1 1 16 16 LYS H H 26 7.890 7.890 7.417 0.473 18010 314 1 2 . 1 1 17 17 GLU N N 27 120.470 120.470 117.431 3.039 18010 315 1 2 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.121 0.059 18010 316 1 2 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.090 -1.080 18010 317 1 2 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.065 -1.135 18010 318 1 2 . 1 1 17 17 GLU H H 27 8.170 8.170 7.680 0.490 18010 319 1 2 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.020 0.230 18010 320 1 2 . 1 1 19 19 ARG C C 29 175.920 175.920 176.196 -0.276 18010 321 1 2 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.468 -1.528 18010 322 1 2 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.217 -0.037 18010 323 1 2 . 1 1 20 20 VAL N N 30 121.110 121.110 117.788 3.322 18010 324 1 2 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.806 0.524 18010 325 1 2 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.067 -2.407 18010 326 1 2 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.367 2.413 18010 327 1 2 . 1 1 20 20 VAL H H 30 7.990 7.990 8.030 -0.040 18010 328 1 2 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.452 -0.032 18010 329 1 2 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.201 -0.501 18010 330 1 2 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.530 -0.140 18010 331 1 2 . 1 1 22 22 SER N N 32 116.500 116.500 118.423 -1.923 18010 332 1 2 . 1 1 22 22 SER HA H 32 4.310 4.310 4.106 0.204 18010 333 1 2 . 1 1 22 22 SER C C 32 174.600 174.600 175.257 -0.657 18010 334 1 2 . 1 1 22 22 SER CA C 32 59.370 59.370 61.092 -1.722 18010 335 1 2 . 1 1 22 22 SER CB C 32 63.870 63.870 63.196 0.674 18010 336 1 2 . 1 1 22 22 SER H H 32 8.530 8.530 8.663 -0.133 18010 337 1 2 . 1 1 23 23 ASN N N 33 119.050 119.050 119.539 -0.489 18010 338 1 2 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.618 0.102 18010 339 1 2 . 1 1 23 23 ASN C C 33 175.220 175.220 175.569 -0.349 18010 340 1 2 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.034 -1.084 18010 341 1 2 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.117 0.183 18010 342 1 2 . 1 1 23 23 ASN H H 33 8.310 8.310 8.153 0.157 18010 343 1 2 . 1 1 24 24 ALA N N 34 123.610 123.610 122.771 0.839 18010 344 1 2 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.494 -0.194 18010 345 1 2 . 1 1 24 24 ALA C C 34 178.100 178.100 176.685 1.415 18010 346 1 2 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.190 0.830 18010 347 1 2 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.050 -0.790 18010 348 1 2 . 1 1 24 24 ALA H H 34 7.960 7.960 7.519 0.441 18010 349 1 2 . 1 1 25 25 SER N N 35 116.140 116.140 118.530 -2.390 18010 350 1 2 . 1 1 25 25 SER HA H 35 4.490 4.490 4.524 -0.034 18010 351 1 2 . 1 1 25 25 SER C C 35 175.380 175.380 175.462 -0.082 18010 352 1 2 . 1 1 25 25 SER CA C 35 58.290 58.290 57.179 1.111 18010 353 1 2 . 1 1 25 25 SER CB C 35 64.100 64.100 64.903 -0.802 18010 354 1 2 . 1 1 25 25 SER H H 35 8.350 8.350 7.995 0.355 18010 355 1 2 . 1 1 26 26 TRP N N 36 123.670 123.670 123.124 0.546 18010 356 1 2 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.398 -0.088 18010 357 1 2 . 1 1 26 26 TRP C C 36 177.060 177.060 177.684 -0.624 18010 358 1 2 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.635 -2.445 18010 359 1 2 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.596 -0.876 18010 360 1 2 . 1 1 26 26 TRP H H 36 8.570 8.570 8.849 -0.279 18010 361 1 2 . 1 1 27 27 GLU N N 37 119.050 119.050 117.940 1.110 18010 362 1 2 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.800 -0.060 18010 363 1 2 . 1 1 27 27 GLU C C 37 178.570 178.570 178.722 -0.152 18010 364 1 2 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.975 -0.515 18010 365 1 2 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.220 0.080 18010 366 1 2 . 1 1 27 27 GLU H H 37 8.320 8.320 8.898 -0.578 18010 367 1 2 . 1 1 28 28 GLN N N 38 118.900 118.900 118.790 0.110 18010 368 1 2 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.029 -0.049 18010 369 1 2 . 1 1 28 28 GLN C C 38 177.940 177.940 178.464 -0.524 18010 370 1 2 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.364 -1.734 18010 371 1 2 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.748 1.671 18010 372 1 2 . 1 1 28 28 GLN H H 38 7.790 7.790 7.586 0.204 18010 373 1 2 . 1 1 29 29 ALA N N 39 122.810 122.810 123.031 -0.221 18010 374 1 2 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.028 -0.048 18010 375 1 2 . 1 1 29 29 ALA C C 39 179.110 179.110 179.365 -0.255 18010 376 1 2 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.918 -0.358 18010 377 1 2 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.457 0.123 18010 378 1 2 . 1 1 29 29 ALA H H 39 8.170 8.170 8.406 -0.236 18010 379 1 2 . 1 1 30 30 MET N N 40 116.270 116.270 116.790 -0.520 18010 380 1 2 . 1 1 30 30 MET HA H 40 4.070 4.070 3.946 0.124 18010 381 1 2 . 1 1 30 30 MET C C 40 177.710 177.710 178.602 -0.892 18010 382 1 2 . 1 1 30 30 MET CA C 40 56.930 56.930 57.571 -0.641 18010 383 1 2 . 1 1 30 30 MET CB C 40 32.000 32.000 31.313 0.687 18010 384 1 2 . 1 1 30 30 MET H H 40 8.150 8.150 7.885 0.265 18010 385 1 2 . 1 1 31 31 LYS N N 41 118.730 118.730 119.009 -0.279 18010 386 1 2 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.872 0.088 18010 387 1 2 . 1 1 31 31 LYS C C 41 177.860 177.860 179.146 -1.286 18010 388 1 2 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.424 -0.844 18010 389 1 2 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.132 0.308 18010 390 1 2 . 1 1 31 31 LYS H H 41 7.620 7.620 7.450 0.170 18010 391 1 2 . 1 1 32 32 MET N N 42 117.330 117.330 118.487 -1.157 18010 392 1 2 . 1 1 32 32 MET HA H 42 4.260 4.260 4.062 0.198 18010 393 1 2 . 1 1 32 32 MET C C 42 177.460 177.460 178.642 -1.182 18010 394 1 2 . 1 1 32 32 MET CA C 42 57.230 57.230 59.405 -2.175 18010 395 1 2 . 1 1 32 32 MET CB C 42 32.850 32.850 32.765 0.085 18010 396 1 2 . 1 1 32 32 MET H H 42 7.680 7.680 7.812 -0.132 18010 397 1 2 . 1 1 33 33 ILE N N 43 118.210 118.210 116.001 2.209 18010 398 1 2 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.924 0.126 18010 399 1 2 . 1 1 33 33 ILE C C 43 176.780 176.780 178.006 -1.226 18010 400 1 2 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.838 -1.008 18010 401 1 2 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.655 1.045 18010 402 1 2 . 1 1 33 33 ILE H H 43 7.740 7.740 7.493 0.247 18010 403 1 2 . 1 1 34 34 ILE N N 44 119.000 119.000 120.114 -1.114 18010 404 1 2 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.048 1.062 18010 405 1 2 . 1 1 34 34 ILE C C 44 175.920 175.920 176.766 -0.846 18010 406 1 2 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.256 -1.576 18010 407 1 2 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.536 1.374 18010 408 1 2 . 1 1 34 34 ILE H H 44 7.770 7.770 7.467 0.303 18010 409 1 2 . 1 1 35 35 ASN N N 45 118.210 118.210 115.728 2.482 18010 410 1 2 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.489 0.231 18010 411 1 2 . 1 1 35 35 ASN C C 45 174.600 174.600 175.615 -1.015 18010 412 1 2 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.635 -1.405 18010 413 1 2 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.467 0.623 18010 414 1 2 . 1 1 35 35 ASN H H 45 7.870 7.870 7.610 0.260 18010 415 1 2 . 1 1 36 36 ASP N N 46 123.510 123.510 121.364 2.146 18010 416 1 2 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.671 0.259 18010 417 1 2 . 1 1 36 36 ASP C C 46 175.630 175.630 176.203 -0.573 18010 418 1 2 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.293 -2.323 18010 419 1 2 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.697 1.433 18010 420 1 2 . 1 1 36 36 ASP H H 46 7.920 7.920 7.340 0.580 18010 421 1 2 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.211 0.239 18010 422 1 2 . 1 1 37 37 PRO C C 47 178.100 178.100 178.305 -0.205 18010 423 1 2 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.369 -1.279 18010 424 1 2 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.843 0.197 18010 425 1 2 . 1 1 38 38 ARG N N 48 118.490 118.490 117.327 1.163 18010 426 1 2 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.038 0.052 18010 427 1 2 . 1 1 38 38 ARG C C 48 177.700 177.700 178.524 -0.824 18010 428 1 2 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.006 -1.196 18010 429 1 2 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.866 0.294 18010 430 1 2 . 1 1 38 38 ARG H H 48 8.780 8.780 8.217 0.563 18010 431 1 2 . 1 1 39 39 TYR N N 49 118.350 118.350 121.203 -2.853 18010 432 1 2 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.130 0.400 18010 433 1 2 . 1 1 39 39 TYR C C 49 176.550 176.550 177.156 -0.606 18010 434 1 2 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.371 -2.421 18010 435 1 2 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.255 0.735 18010 436 1 2 . 1 1 39 39 TYR H H 49 7.900 7.900 8.763 -0.863 18010 437 1 2 . 1 1 40 40 SER N N 50 115.790 115.790 114.988 0.802 18010 438 1 2 . 1 1 40 40 SER HA H 50 4.230 4.230 3.910 0.320 18010 439 1 2 . 1 1 40 40 SER C C 50 175.570 175.570 176.596 -1.026 18010 440 1 2 . 1 1 40 40 SER CA C 50 60.080 60.080 61.332 -1.252 18010 441 1 2 . 1 1 40 40 SER CB C 50 63.230 63.230 62.734 0.495 18010 442 1 2 . 1 1 40 40 SER H H 50 7.930 7.930 7.935 -0.005 18010 443 1 2 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.008 0.222 18010 444 1 2 . 1 1 41 41 ALA C C 51 178.570 178.570 179.285 -0.715 18010 445 1 2 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.812 -0.932 18010 446 1 2 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.469 0.371 18010 447 1 2 . 1 1 41 41 ALA H H 51 8.180 8.180 7.377 0.803 18010 448 1 2 . 1 1 42 42 LEU N N 52 118.900 118.900 119.909 -1.009 18010 449 1 2 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.941 0.229 18010 450 1 2 . 1 1 42 42 LEU C C 52 178.140 178.140 178.160 -0.020 18010 451 1 2 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.393 -1.233 18010 452 1 2 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.838 0.232 18010 453 1 2 . 1 1 42 42 LEU H H 52 7.790 7.790 7.984 -0.194 18010 454 1 2 . 1 1 43 43 ALA N N 53 122.850 122.850 119.894 2.956 18010 455 1 2 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.927 0.183 18010 456 1 2 . 1 1 43 43 ALA C C 53 178.490 178.490 179.289 -0.799 18010 457 1 2 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.356 -0.766 18010 458 1 2 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.215 0.625 18010 459 1 2 . 1 1 43 43 ALA H H 53 7.990 7.990 7.562 0.428 18010 460 1 2 . 1 1 44 44 LYS N N 54 118.370 118.370 117.506 0.864 18010 461 1 2 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.094 0.136 18010 462 1 2 . 1 1 44 44 LYS CA C 54 56.970 56.970 58.169 -1.199 18010 463 1 2 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.924 -0.324 18010 464 1 2 . 1 1 44 44 LYS H H 54 7.850 7.850 7.332 0.518 18010 465 1 2 . 1 1 45 45 LEU N N 55 121.540 121.540 115.500 6.040 18010 466 1 2 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.939 0.341 18010 467 1 2 . 1 1 45 45 LEU C C 55 177.790 177.790 176.666 1.124 18010 468 1 2 . 1 1 45 45 LEU CA C 55 56.050 56.050 57.425 -1.375 18010 469 1 2 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.388 1.832 18010 470 1 2 . 1 1 45 45 LEU H H 55 7.920 7.920 7.782 0.138 18010 471 1 3 . 1 1 4 4 LYS N N 14 123.250 123.250 122.346 0.904 18010 472 1 3 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.200 -0.020 18010 473 1 3 . 1 1 4 4 LYS C C 14 177.770 177.770 177.206 0.564 18010 474 1 3 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.971 0.649 18010 475 1 3 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.830 0.750 18010 476 1 3 . 1 1 4 4 LYS H H 14 8.480 8.480 8.711 -0.231 18010 477 1 3 . 1 1 5 5 GLU N N 15 121.270 121.270 120.742 0.528 18010 478 1 3 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.051 0.159 18010 479 1 3 . 1 1 5 5 GLU C C 15 177.390 177.390 178.475 -1.085 18010 480 1 3 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.321 -1.581 18010 481 1 3 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.558 0.402 18010 482 1 3 . 1 1 5 5 GLU H H 15 8.330 8.330 7.800 0.530 18010 483 1 3 . 1 1 6 6 GLU N N 16 121.480 121.480 119.270 2.210 18010 484 1 3 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.064 0.096 18010 485 1 3 . 1 1 6 6 GLU C C 16 177.740 177.740 178.650 -0.910 18010 486 1 3 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.137 -1.397 18010 487 1 3 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.333 0.627 18010 488 1 3 . 1 1 6 6 GLU H H 16 8.350 8.350 7.683 0.667 18010 489 1 3 . 1 1 7 7 ALA N N 17 124.390 124.390 121.898 2.492 18010 490 1 3 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.100 0.090 18010 491 1 3 . 1 1 7 7 ALA C C 17 178.580 178.580 179.645 -1.065 18010 492 1 3 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.905 -1.275 18010 493 1 3 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.354 0.516 18010 494 1 3 . 1 1 7 7 ALA H H 17 8.230 8.230 8.316 -0.086 18010 495 1 3 . 1 1 8 8 LYS N N 18 119.380 119.380 118.568 0.812 18010 496 1 3 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.202 -0.192 18010 497 1 3 . 1 1 8 8 LYS C C 18 177.960 177.960 179.139 -1.179 18010 498 1 3 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.543 -1.483 18010 499 1 3 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.414 0.326 18010 500 1 3 . 1 1 8 8 LYS H H 18 8.070 8.070 7.761 0.309 18010 501 1 3 . 1 1 9 9 GLN N N 19 120.230 120.230 119.028 1.202 18010 502 1 3 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.123 0.107 18010 503 1 3 . 1 1 9 9 GLN C C 19 176.550 176.550 177.896 -1.346 18010 504 1 3 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.340 -1.150 18010 505 1 3 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.115 0.705 18010 506 1 3 . 1 1 9 9 GLN H H 19 8.140 8.140 7.902 0.238 18010 507 1 3 . 1 1 10 10 ALA N N 20 123.740 123.740 122.453 1.287 18010 508 1 3 . 1 1 10 10 ALA HA H 20 4.200 4.200 3.984 0.216 18010 509 1 3 . 1 1 10 10 ALA C C 20 178.730 178.730 179.262 -0.532 18010 510 1 3 . 1 1 10 10 ALA CA C 20 53.820 53.820 55.293 -1.473 18010 511 1 3 . 1 1 10 10 ALA CB C 20 18.840 18.840 17.931 0.909 18010 512 1 3 . 1 1 10 10 ALA H H 20 8.180 8.180 7.714 0.466 18010 513 1 3 . 1 1 11 11 PHE N N 21 118.790 118.790 117.992 0.798 18010 514 1 3 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.161 0.239 18010 515 1 3 . 1 1 11 11 PHE C C 21 176.380 176.380 177.750 -1.370 18010 516 1 3 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.960 -2.840 18010 517 1 3 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.716 0.604 18010 518 1 3 . 1 1 11 11 PHE H H 21 8.180 8.180 7.532 0.648 18010 519 1 3 . 1 1 12 12 LYS N N 22 120.470 120.470 119.890 0.580 18010 520 1 3 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.990 0.020 18010 521 1 3 . 1 1 12 12 LYS C C 22 177.950 177.950 178.647 -0.697 18010 522 1 3 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.850 -1.130 18010 523 1 3 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.310 0.460 18010 524 1 3 . 1 1 12 12 LYS H H 22 7.980 7.980 7.773 0.207 18010 525 1 3 . 1 1 13 13 GLU N N 23 120.060 120.060 119.751 0.309 18010 526 1 3 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.086 0.094 18010 527 1 3 . 1 1 13 13 GLU C C 23 178.170 178.170 178.894 -0.724 18010 528 1 3 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.192 -2.352 18010 529 1 3 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.767 -0.277 18010 530 1 3 . 1 1 13 13 GLU H H 23 8.140 8.140 8.311 -0.171 18010 531 1 3 . 1 1 14 14 LEU N N 24 122.360 122.360 121.693 0.667 18010 532 1 3 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.070 0.330 18010 533 1 3 . 1 1 14 14 LEU C C 24 178.260 178.260 178.472 -0.212 18010 534 1 3 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.801 -0.961 18010 535 1 3 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.853 0.237 18010 536 1 3 . 1 1 14 14 LEU H H 24 8.030 8.030 8.106 -0.076 18010 537 1 3 . 1 1 15 15 LEU N N 25 120.260 120.260 119.210 1.050 18010 538 1 3 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.910 0.150 18010 539 1 3 . 1 1 15 15 LEU C C 25 177.990 177.990 178.833 -0.843 18010 540 1 3 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.768 -1.228 18010 541 1 3 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.639 0.281 18010 542 1 3 . 1 1 15 15 LEU H H 25 7.990 7.990 7.872 0.118 18010 543 1 3 . 1 1 16 16 LYS N N 26 120.680 120.680 118.177 2.503 18010 544 1 3 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.010 0.190 18010 545 1 3 . 1 1 16 16 LYS C C 26 177.940 177.940 178.401 -0.461 18010 546 1 3 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.221 -1.611 18010 547 1 3 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.608 0.192 18010 548 1 3 . 1 1 16 16 LYS H H 26 7.890 7.890 7.519 0.371 18010 549 1 3 . 1 1 17 17 GLU N N 27 120.470 120.470 117.532 2.938 18010 550 1 3 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.136 0.044 18010 551 1 3 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.001 -0.991 18010 552 1 3 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.038 -1.108 18010 553 1 3 . 1 1 17 17 GLU H H 27 8.170 8.170 7.725 0.445 18010 554 1 3 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.141 0.109 18010 555 1 3 . 1 1 19 19 ARG C C 29 175.920 175.920 176.383 -0.463 18010 556 1 3 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.371 -1.431 18010 557 1 3 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.149 0.031 18010 558 1 3 . 1 1 20 20 VAL N N 30 121.110 121.110 116.860 4.250 18010 559 1 3 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.862 0.468 18010 560 1 3 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.685 -2.025 18010 561 1 3 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.310 2.470 18010 562 1 3 . 1 1 20 20 VAL H H 30 7.990 7.990 8.178 -0.188 18010 563 1 3 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.431 -0.011 18010 564 1 3 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.094 -0.395 18010 565 1 3 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.533 -0.143 18010 566 1 3 . 1 1 22 22 SER N N 32 116.500 116.500 117.235 -0.735 18010 567 1 3 . 1 1 22 22 SER HA H 32 4.310 4.310 4.130 0.180 18010 568 1 3 . 1 1 22 22 SER C C 32 174.600 174.600 175.323 -0.723 18010 569 1 3 . 1 1 22 22 SER CA C 32 59.370 59.370 61.217 -1.847 18010 570 1 3 . 1 1 22 22 SER CB C 32 63.870 63.870 63.249 0.621 18010 571 1 3 . 1 1 22 22 SER H H 32 8.530 8.530 8.659 -0.129 18010 572 1 3 . 1 1 23 23 ASN N N 33 119.050 119.050 117.989 1.061 18010 573 1 3 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.628 0.092 18010 574 1 3 . 1 1 23 23 ASN C C 33 175.220 175.220 174.977 0.243 18010 575 1 3 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.928 -0.978 18010 576 1 3 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.319 -0.019 18010 577 1 3 . 1 1 23 23 ASN H H 33 8.310 8.310 8.163 0.147 18010 578 1 3 . 1 1 24 24 ALA N N 34 123.610 123.610 121.586 2.024 18010 579 1 3 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.308 -0.008 18010 580 1 3 . 1 1 24 24 ALA C C 34 178.100 178.100 176.192 1.908 18010 581 1 3 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.471 0.549 18010 582 1 3 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.076 -0.816 18010 583 1 3 . 1 1 24 24 ALA H H 34 7.960 7.960 7.439 0.521 18010 584 1 3 . 1 1 25 25 SER N N 35 116.140 116.140 118.294 -2.154 18010 585 1 3 . 1 1 25 25 SER HA H 35 4.490 4.490 4.686 -0.196 18010 586 1 3 . 1 1 25 25 SER C C 35 175.380 175.380 175.084 0.296 18010 587 1 3 . 1 1 25 25 SER CA C 35 58.290 58.290 57.340 0.950 18010 588 1 3 . 1 1 25 25 SER CB C 35 64.100 64.100 64.304 -0.204 18010 589 1 3 . 1 1 25 25 SER H H 35 8.350 8.350 8.125 0.225 18010 590 1 3 . 1 1 26 26 TRP N N 36 123.670 123.670 123.440 0.230 18010 591 1 3 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.423 -0.113 18010 592 1 3 . 1 1 26 26 TRP C C 36 177.060 177.060 177.973 -0.913 18010 593 1 3 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.898 -1.708 18010 594 1 3 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.831 -1.111 18010 595 1 3 . 1 1 26 26 TRP H H 36 8.570 8.570 8.746 -0.176 18010 596 1 3 . 1 1 27 27 GLU N N 37 119.050 119.050 118.133 0.917 18010 597 1 3 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.775 -0.035 18010 598 1 3 . 1 1 27 27 GLU C C 37 178.570 178.570 178.980 -0.410 18010 599 1 3 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.711 -0.251 18010 600 1 3 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.421 -0.121 18010 601 1 3 . 1 1 27 27 GLU H H 37 8.320 8.320 7.977 0.343 18010 602 1 3 . 1 1 28 28 GLN N N 38 118.900 118.900 117.981 0.919 18010 603 1 3 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.080 -0.100 18010 604 1 3 . 1 1 28 28 GLN C C 38 177.940 177.940 178.396 -0.456 18010 605 1 3 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.066 -1.437 18010 606 1 3 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.382 2.038 18010 607 1 3 . 1 1 28 28 GLN H H 38 7.790 7.790 7.830 -0.040 18010 608 1 3 . 1 1 29 29 ALA N N 39 122.810 122.810 122.921 -0.111 18010 609 1 3 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.056 -0.076 18010 610 1 3 . 1 1 29 29 ALA C C 39 179.110 179.110 179.231 -0.121 18010 611 1 3 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.703 -0.142 18010 612 1 3 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.187 0.393 18010 613 1 3 . 1 1 29 29 ALA H H 39 8.170 8.170 8.574 -0.404 18010 614 1 3 . 1 1 30 30 MET N N 40 116.270 116.270 117.620 -1.350 18010 615 1 3 . 1 1 30 30 MET HA H 40 4.070 4.070 3.718 0.352 18010 616 1 3 . 1 1 30 30 MET C C 40 177.710 177.710 178.029 -0.319 18010 617 1 3 . 1 1 30 30 MET CA C 40 56.930 56.930 58.794 -1.864 18010 618 1 3 . 1 1 30 30 MET CB C 40 32.000 32.000 32.172 -0.172 18010 619 1 3 . 1 1 30 30 MET H H 40 8.150 8.150 8.051 0.099 18010 620 1 3 . 1 1 31 31 LYS N N 41 118.730 118.730 118.580 0.150 18010 621 1 3 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.870 0.090 18010 622 1 3 . 1 1 31 31 LYS C C 41 177.860 177.860 179.015 -1.155 18010 623 1 3 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.358 -0.778 18010 624 1 3 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.132 0.308 18010 625 1 3 . 1 1 31 31 LYS H H 41 7.620 7.620 7.512 0.108 18010 626 1 3 . 1 1 32 32 MET N N 42 117.330 117.330 118.028 -0.698 18010 627 1 3 . 1 1 32 32 MET HA H 42 4.260 4.260 4.041 0.219 18010 628 1 3 . 1 1 32 32 MET C C 42 177.460 177.460 178.876 -1.416 18010 629 1 3 . 1 1 32 32 MET CA C 42 57.230 57.230 59.507 -2.277 18010 630 1 3 . 1 1 32 32 MET CB C 42 32.850 32.850 32.652 0.198 18010 631 1 3 . 1 1 32 32 MET H H 42 7.680 7.680 7.618 0.062 18010 632 1 3 . 1 1 33 33 ILE N N 43 118.210 118.210 116.551 1.659 18010 633 1 3 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.804 0.246 18010 634 1 3 . 1 1 33 33 ILE C C 43 176.780 176.780 177.070 -0.290 18010 635 1 3 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.256 -1.426 18010 636 1 3 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.570 1.130 18010 637 1 3 . 1 1 33 33 ILE H H 43 7.740 7.740 7.605 0.135 18010 638 1 3 . 1 1 34 34 ILE N N 44 119.000 119.000 118.983 0.017 18010 639 1 3 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.065 1.045 18010 640 1 3 . 1 1 34 34 ILE C C 44 175.920 175.920 177.056 -1.136 18010 641 1 3 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.022 -1.342 18010 642 1 3 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.664 1.246 18010 643 1 3 . 1 1 34 34 ILE H H 44 7.770 7.770 7.484 0.286 18010 644 1 3 . 1 1 35 35 ASN N N 45 118.210 118.210 116.194 2.016 18010 645 1 3 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.494 0.226 18010 646 1 3 . 1 1 35 35 ASN C C 45 174.600 174.600 175.743 -1.143 18010 647 1 3 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.601 -1.371 18010 648 1 3 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.531 0.559 18010 649 1 3 . 1 1 35 35 ASN H H 45 7.870 7.870 7.791 0.079 18010 650 1 3 . 1 1 36 36 ASP N N 46 123.510 123.510 121.184 2.326 18010 651 1 3 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.685 0.245 18010 652 1 3 . 1 1 36 36 ASP C C 46 175.630 175.630 175.933 -0.303 18010 653 1 3 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.162 -2.192 18010 654 1 3 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.594 1.536 18010 655 1 3 . 1 1 36 36 ASP H H 46 7.920 7.920 7.419 0.501 18010 656 1 3 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.216 0.234 18010 657 1 3 . 1 1 37 37 PRO C C 47 178.100 178.100 178.229 -0.129 18010 658 1 3 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.211 -1.121 18010 659 1 3 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.829 0.211 18010 660 1 3 . 1 1 38 38 ARG N N 48 118.490 118.490 117.549 0.941 18010 661 1 3 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.030 0.060 18010 662 1 3 . 1 1 38 38 ARG C C 48 177.700 177.700 178.381 -0.681 18010 663 1 3 . 1 1 38 38 ARG CA C 48 57.810 57.810 58.983 -1.173 18010 664 1 3 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.703 0.457 18010 665 1 3 . 1 1 38 38 ARG H H 48 8.780 8.780 8.194 0.586 18010 666 1 3 . 1 1 39 39 TYR N N 49 118.350 118.350 121.457 -3.107 18010 667 1 3 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.156 0.374 18010 668 1 3 . 1 1 39 39 TYR C C 49 176.550 176.550 177.172 -0.622 18010 669 1 3 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.555 -2.605 18010 670 1 3 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.391 0.599 18010 671 1 3 . 1 1 39 39 TYR H H 49 7.900 7.900 8.767 -0.867 18010 672 1 3 . 1 1 40 40 SER N N 50 115.790 115.790 114.957 0.833 18010 673 1 3 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010 674 1 3 . 1 1 40 40 SER C C 50 175.570 175.570 176.514 -0.944 18010 675 1 3 . 1 1 40 40 SER CA C 50 60.080 60.080 62.129 -2.049 18010 676 1 3 . 1 1 40 40 SER CB C 50 63.230 63.230 62.797 0.432 18010 677 1 3 . 1 1 40 40 SER H H 50 7.930 7.930 7.940 -0.010 18010 678 1 3 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.069 0.161 18010 679 1 3 . 1 1 41 41 ALA C C 51 178.570 178.570 179.573 -1.003 18010 680 1 3 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.886 -1.006 18010 681 1 3 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.074 0.766 18010 682 1 3 . 1 1 41 41 ALA H H 51 8.180 8.180 7.337 0.843 18010 683 1 3 . 1 1 42 42 LEU N N 52 118.900 118.900 119.320 -0.420 18010 684 1 3 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.906 0.264 18010 685 1 3 . 1 1 42 42 LEU C C 52 178.140 178.140 179.064 -0.924 18010 686 1 3 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.439 -1.279 18010 687 1 3 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.584 0.486 18010 688 1 3 . 1 1 42 42 LEU H H 52 7.790 7.790 7.978 -0.188 18010 689 1 3 . 1 1 43 43 ALA N N 53 122.850 122.850 120.814 2.036 18010 690 1 3 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.915 0.195 18010 691 1 3 . 1 1 43 43 ALA C C 53 178.490 178.490 178.875 -0.385 18010 692 1 3 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.266 -0.676 18010 693 1 3 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.659 0.181 18010 694 1 3 . 1 1 43 43 ALA H H 53 7.990 7.990 7.704 0.286 18010 695 1 3 . 1 1 44 44 LYS N N 54 118.370 118.370 117.169 1.201 18010 696 1 3 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.053 0.177 18010 697 1 3 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.569 -0.599 18010 698 1 3 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.887 -0.287 18010 699 1 3 . 1 1 44 44 LYS H H 54 7.850 7.850 7.553 0.297 18010 700 1 3 . 1 1 45 45 LEU N N 55 121.540 121.540 117.407 4.133 18010 701 1 3 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.927 0.353 18010 702 1 3 . 1 1 45 45 LEU C C 55 177.790 177.790 175.259 2.531 18010 703 1 3 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.173 -0.123 18010 704 1 3 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.034 1.186 18010 705 1 3 . 1 1 45 45 LEU H H 55 7.920 7.920 8.045 -0.125 18010 706 1 4 . 1 1 4 4 LYS N N 14 123.250 123.250 123.619 -0.369 18010 707 1 4 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.194 -0.014 18010 708 1 4 . 1 1 4 4 LYS C C 14 177.770 177.770 177.191 0.579 18010 709 1 4 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.940 0.680 18010 710 1 4 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.231 0.349 18010 711 1 4 . 1 1 4 4 LYS H H 14 8.480 8.480 8.631 -0.151 18010 712 1 4 . 1 1 5 5 GLU N N 15 121.270 121.270 120.781 0.489 18010 713 1 4 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.051 0.159 18010 714 1 4 . 1 1 5 5 GLU C C 15 177.390 177.390 178.491 -1.101 18010 715 1 4 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.440 -1.700 18010 716 1 4 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.335 0.625 18010 717 1 4 . 1 1 5 5 GLU H H 15 8.330 8.330 8.610 -0.280 18010 718 1 4 . 1 1 6 6 GLU N N 16 121.480 121.480 119.206 2.274 18010 719 1 4 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.071 0.089 18010 720 1 4 . 1 1 6 6 GLU C C 16 177.740 177.740 178.610 -0.870 18010 721 1 4 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.154 -1.414 18010 722 1 4 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.350 0.610 18010 723 1 4 . 1 1 6 6 GLU H H 16 8.350 8.350 7.703 0.647 18010 724 1 4 . 1 1 7 7 ALA N N 17 124.390 124.390 121.787 2.603 18010 725 1 4 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.142 0.048 18010 726 1 4 . 1 1 7 7 ALA C C 17 178.580 178.580 179.647 -1.067 18010 727 1 4 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.880 -1.250 18010 728 1 4 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.365 0.505 18010 729 1 4 . 1 1 7 7 ALA H H 17 8.230 8.230 8.314 -0.084 18010 730 1 4 . 1 1 8 8 LYS N N 18 119.380 119.380 118.703 0.677 18010 731 1 4 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.164 -0.154 18010 732 1 4 . 1 1 8 8 LYS C C 18 177.960 177.960 179.377 -1.417 18010 733 1 4 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.741 -1.681 18010 734 1 4 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.356 0.384 18010 735 1 4 . 1 1 8 8 LYS H H 18 8.070 8.070 7.683 0.387 18010 736 1 4 . 1 1 9 9 GLN N N 19 120.230 120.230 118.313 1.917 18010 737 1 4 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.102 0.128 18010 738 1 4 . 1 1 9 9 GLN C C 19 176.550 176.550 178.216 -1.666 18010 739 1 4 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.741 -1.551 18010 740 1 4 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.460 0.360 18010 741 1 4 . 1 1 9 9 GLN H H 19 8.140 8.140 7.866 0.274 18010 742 1 4 . 1 1 10 10 ALA N N 20 123.740 123.740 122.503 1.237 18010 743 1 4 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.071 0.129 18010 744 1 4 . 1 1 10 10 ALA C C 20 178.730 178.730 179.575 -0.845 18010 745 1 4 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.998 -1.178 18010 746 1 4 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.172 0.668 18010 747 1 4 . 1 1 10 10 ALA H H 20 8.180 8.180 7.516 0.664 18010 748 1 4 . 1 1 11 11 PHE N N 21 118.790 118.790 117.665 1.125 18010 749 1 4 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.163 0.237 18010 750 1 4 . 1 1 11 11 PHE C C 21 176.380 176.380 177.976 -1.596 18010 751 1 4 . 1 1 11 11 PHE CA C 21 59.120 59.120 62.078 -2.958 18010 752 1 4 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.757 0.563 18010 753 1 4 . 1 1 11 11 PHE H H 21 8.180 8.180 7.646 0.534 18010 754 1 4 . 1 1 12 12 LYS N N 22 120.470 120.470 119.164 1.306 18010 755 1 4 . 1 1 12 12 LYS HA H 22 4.010 4.010 4.014 -0.004 18010 756 1 4 . 1 1 12 12 LYS C C 22 177.950 177.950 178.805 -0.855 18010 757 1 4 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.907 -1.187 18010 758 1 4 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.151 0.619 18010 759 1 4 . 1 1 12 12 LYS H H 22 7.980 7.980 7.806 0.174 18010 760 1 4 . 1 1 13 13 GLU N N 23 120.060 120.060 120.560 -0.500 18010 761 1 4 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.079 0.101 18010 762 1 4 . 1 1 13 13 GLU C C 23 178.170 178.170 178.994 -0.824 18010 763 1 4 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.496 -2.656 18010 764 1 4 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.614 -0.124 18010 765 1 4 . 1 1 13 13 GLU H H 23 8.140 8.140 8.274 -0.134 18010 766 1 4 . 1 1 14 14 LEU N N 24 122.360 122.360 119.736 2.624 18010 767 1 4 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.018 0.382 18010 768 1 4 . 1 1 14 14 LEU C C 24 178.260 178.260 179.245 -0.985 18010 769 1 4 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.687 -0.847 18010 770 1 4 . 1 1 14 14 LEU CB C 24 42.090 42.090 42.038 0.052 18010 771 1 4 . 1 1 14 14 LEU H H 24 8.030 8.030 7.949 0.081 18010 772 1 4 . 1 1 15 15 LEU N N 25 120.260 120.260 117.473 2.787 18010 773 1 4 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.992 0.068 18010 774 1 4 . 1 1 15 15 LEU C C 25 177.990 177.990 178.241 -0.251 18010 775 1 4 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.210 -0.670 18010 776 1 4 . 1 1 15 15 LEU CB C 25 41.920 41.920 42.015 -0.095 18010 777 1 4 . 1 1 15 15 LEU H H 25 7.990 7.990 7.970 0.020 18010 778 1 4 . 1 1 16 16 LYS N N 26 120.680 120.680 117.631 3.049 18010 779 1 4 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.041 0.159 18010 780 1 4 . 1 1 16 16 LYS C C 26 177.940 177.940 177.461 0.479 18010 781 1 4 . 1 1 16 16 LYS CA C 26 57.610 57.610 57.873 -0.263 18010 782 1 4 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.867 -0.067 18010 783 1 4 . 1 1 16 16 LYS H H 26 7.890 7.890 7.752 0.138 18010 784 1 4 . 1 1 17 17 GLU N N 27 120.470 120.470 119.134 1.336 18010 785 1 4 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.099 0.081 18010 786 1 4 . 1 1 17 17 GLU CA C 27 57.010 57.010 57.473 -0.463 18010 787 1 4 . 1 1 17 17 GLU CB C 27 28.930 28.930 29.982 -1.052 18010 788 1 4 . 1 1 17 17 GLU H H 27 8.170 8.170 7.659 0.511 18010 789 1 4 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.194 0.056 18010 790 1 4 . 1 1 19 19 ARG C C 29 175.920 175.920 175.488 0.432 18010 791 1 4 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.661 -0.721 18010 792 1 4 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.566 -0.386 18010 793 1 4 . 1 1 20 20 VAL N N 30 121.110 121.110 116.401 4.709 18010 794 1 4 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.808 0.522 18010 795 1 4 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.401 -1.741 18010 796 1 4 . 1 1 20 20 VAL CB C 30 32.780 32.780 29.481 3.299 18010 797 1 4 . 1 1 20 20 VAL H H 30 7.990 7.990 8.502 -0.512 18010 798 1 4 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.442 -0.022 18010 799 1 4 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.165 -0.465 18010 800 1 4 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.114 0.276 18010 801 1 4 . 1 1 22 22 SER N N 32 116.500 116.500 119.446 -2.946 18010 802 1 4 . 1 1 22 22 SER HA H 32 4.310 4.310 3.897 0.413 18010 803 1 4 . 1 1 22 22 SER C C 32 174.600 174.600 174.377 0.223 18010 804 1 4 . 1 1 22 22 SER CA C 32 59.370 59.370 60.519 -1.149 18010 805 1 4 . 1 1 22 22 SER CB C 32 63.870 63.870 62.912 0.958 18010 806 1 4 . 1 1 22 22 SER H H 32 8.530 8.530 8.680 -0.150 18010 807 1 4 . 1 1 23 23 ASN N N 33 119.050 119.050 118.412 0.638 18010 808 1 4 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.729 -0.009 18010 809 1 4 . 1 1 23 23 ASN C C 33 175.220 175.220 174.606 0.614 18010 810 1 4 . 1 1 23 23 ASN CA C 33 52.950 52.950 52.793 0.157 18010 811 1 4 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.252 0.048 18010 812 1 4 . 1 1 23 23 ASN H H 33 8.310 8.310 8.103 0.207 18010 813 1 4 . 1 1 24 24 ALA N N 34 123.610 123.610 123.695 -0.085 18010 814 1 4 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.322 -0.022 18010 815 1 4 . 1 1 24 24 ALA C C 34 178.100 178.100 176.547 1.553 18010 816 1 4 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.765 0.255 18010 817 1 4 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.851 -0.591 18010 818 1 4 . 1 1 24 24 ALA H H 34 7.960 7.960 7.351 0.609 18010 819 1 4 . 1 1 25 25 SER N N 35 116.140 116.140 112.814 3.326 18010 820 1 4 . 1 1 25 25 SER HA H 35 4.490 4.490 4.536 -0.046 18010 821 1 4 . 1 1 25 25 SER C C 35 175.380 175.380 174.650 0.730 18010 822 1 4 . 1 1 25 25 SER CA C 35 58.290 58.290 57.225 1.065 18010 823 1 4 . 1 1 25 25 SER CB C 35 64.100 64.100 64.442 -0.342 18010 824 1 4 . 1 1 25 25 SER H H 35 8.350 8.350 8.102 0.248 18010 825 1 4 . 1 1 26 26 TRP N N 36 123.670 123.670 128.780 -5.110 18010 826 1 4 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.371 -0.061 18010 827 1 4 . 1 1 26 26 TRP C C 36 177.060 177.060 177.461 -0.401 18010 828 1 4 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.739 -1.548 18010 829 1 4 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.578 -0.858 18010 830 1 4 . 1 1 26 26 TRP H H 36 8.570 8.570 8.727 -0.157 18010 831 1 4 . 1 1 27 27 GLU N N 37 119.050 119.050 118.772 0.278 18010 832 1 4 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.977 -0.237 18010 833 1 4 . 1 1 27 27 GLU C C 37 178.570 178.570 178.623 -0.053 18010 834 1 4 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.452 0.008 18010 835 1 4 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.345 -0.045 18010 836 1 4 . 1 1 27 27 GLU H H 37 8.320 8.320 8.303 0.017 18010 837 1 4 . 1 1 28 28 GLN N N 38 118.900 118.900 119.070 -0.170 18010 838 1 4 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.074 -0.094 18010 839 1 4 . 1 1 28 28 GLN C C 38 177.940 177.940 178.453 -0.513 18010 840 1 4 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.327 -1.696 18010 841 1 4 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.793 1.627 18010 842 1 4 . 1 1 28 28 GLN H H 38 7.790 7.790 7.615 0.175 18010 843 1 4 . 1 1 29 29 ALA N N 39 122.810 122.810 122.765 0.045 18010 844 1 4 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.029 -0.049 18010 845 1 4 . 1 1 29 29 ALA C C 39 179.110 179.110 179.484 -0.374 18010 846 1 4 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.980 -0.420 18010 847 1 4 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.383 0.197 18010 848 1 4 . 1 1 29 29 ALA H H 39 8.170 8.170 8.505 -0.335 18010 849 1 4 . 1 1 30 30 MET N N 40 116.270 116.270 117.143 -0.873 18010 850 1 4 . 1 1 30 30 MET HA H 40 4.070 4.070 4.037 0.033 18010 851 1 4 . 1 1 30 30 MET C C 40 177.710 177.710 178.675 -0.965 18010 852 1 4 . 1 1 30 30 MET CA C 40 56.930 56.930 59.233 -2.303 18010 853 1 4 . 1 1 30 30 MET CB C 40 32.000 32.000 32.601 -0.601 18010 854 1 4 . 1 1 30 30 MET H H 40 8.150 8.150 8.203 -0.053 18010 855 1 4 . 1 1 31 31 LYS N N 41 118.730 118.730 119.186 -0.456 18010 856 1 4 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.980 -0.020 18010 857 1 4 . 1 1 31 31 LYS C C 41 177.860 177.860 179.075 -1.215 18010 858 1 4 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.539 -0.959 18010 859 1 4 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.219 0.221 18010 860 1 4 . 1 1 31 31 LYS H H 41 7.620 7.620 7.566 0.054 18010 861 1 4 . 1 1 32 32 MET N N 42 117.330 117.330 118.635 -1.305 18010 862 1 4 . 1 1 32 32 MET HA H 42 4.260 4.260 4.086 0.174 18010 863 1 4 . 1 1 32 32 MET C C 42 177.460 177.460 178.648 -1.188 18010 864 1 4 . 1 1 32 32 MET CA C 42 57.230 57.230 59.463 -2.233 18010 865 1 4 . 1 1 32 32 MET CB C 42 32.850 32.850 32.770 0.080 18010 866 1 4 . 1 1 32 32 MET H H 42 7.680 7.680 8.147 -0.467 18010 867 1 4 . 1 1 33 33 ILE N N 43 118.210 118.210 115.590 2.620 18010 868 1 4 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.779 0.271 18010 869 1 4 . 1 1 33 33 ILE C C 43 176.780 176.780 176.958 -0.178 18010 870 1 4 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.909 -1.079 18010 871 1 4 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.537 1.163 18010 872 1 4 . 1 1 33 33 ILE H H 43 7.740 7.740 7.437 0.303 18010 873 1 4 . 1 1 34 34 ILE N N 44 119.000 119.000 118.903 0.097 18010 874 1 4 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.275 0.835 18010 875 1 4 . 1 1 34 34 ILE C C 44 175.920 175.920 177.335 -1.415 18010 876 1 4 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.107 -1.427 18010 877 1 4 . 1 1 34 34 ILE CB C 44 38.910 38.910 38.009 0.901 18010 878 1 4 . 1 1 34 34 ILE H H 44 7.770 7.770 7.378 0.392 18010 879 1 4 . 1 1 35 35 ASN N N 45 118.210 118.210 116.094 2.116 18010 880 1 4 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.551 0.169 18010 881 1 4 . 1 1 35 35 ASN C C 45 174.600 174.600 175.565 -0.965 18010 882 1 4 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.681 -1.451 18010 883 1 4 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.594 0.496 18010 884 1 4 . 1 1 35 35 ASN H H 45 7.870 7.870 7.743 0.127 18010 885 1 4 . 1 1 36 36 ASP N N 46 123.510 123.510 121.543 1.967 18010 886 1 4 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.635 0.295 18010 887 1 4 . 1 1 36 36 ASP C C 46 175.630 175.630 176.325 -0.695 18010 888 1 4 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.242 -1.272 18010 889 1 4 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.473 1.657 18010 890 1 4 . 1 1 36 36 ASP H H 46 7.920 7.920 7.404 0.516 18010 891 1 4 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.199 0.251 18010 892 1 4 . 1 1 37 37 PRO C C 47 178.100 178.100 178.480 -0.380 18010 893 1 4 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.193 -1.103 18010 894 1 4 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.963 0.077 18010 895 1 4 . 1 1 38 38 ARG N N 48 118.490 118.490 117.312 1.178 18010 896 1 4 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.032 0.058 18010 897 1 4 . 1 1 38 38 ARG C C 48 177.700 177.700 178.571 -0.871 18010 898 1 4 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.255 -1.445 18010 899 1 4 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.056 0.104 18010 900 1 4 . 1 1 38 38 ARG H H 48 8.780 8.780 7.987 0.793 18010 901 1 4 . 1 1 39 39 TYR N N 49 118.350 118.350 120.869 -2.519 18010 902 1 4 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.153 0.377 18010 903 1 4 . 1 1 39 39 TYR C C 49 176.550 176.550 177.101 -0.551 18010 904 1 4 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.461 -2.511 18010 905 1 4 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.098 0.892 18010 906 1 4 . 1 1 39 39 TYR H H 49 7.900 7.900 8.474 -0.574 18010 907 1 4 . 1 1 40 40 SER N N 50 115.790 115.790 115.345 0.445 18010 908 1 4 . 1 1 40 40 SER HA H 50 4.230 4.230 3.855 0.375 18010 909 1 4 . 1 1 40 40 SER C C 50 175.570 175.570 176.368 -0.798 18010 910 1 4 . 1 1 40 40 SER CA C 50 60.080 60.080 61.782 -1.702 18010 911 1 4 . 1 1 40 40 SER CB C 50 63.230 63.230 62.699 0.531 18010 912 1 4 . 1 1 40 40 SER H H 50 7.930 7.930 7.720 0.210 18010 913 1 4 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.088 0.142 18010 914 1 4 . 1 1 41 41 ALA C C 51 178.570 178.570 179.116 -0.546 18010 915 1 4 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.713 -0.833 18010 916 1 4 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.279 0.561 18010 917 1 4 . 1 1 41 41 ALA H H 51 8.180 8.180 7.311 0.869 18010 918 1 4 . 1 1 42 42 LEU N N 52 118.900 118.900 119.769 -0.869 18010 919 1 4 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.913 0.257 18010 920 1 4 . 1 1 42 42 LEU C C 52 178.140 178.140 178.523 -0.383 18010 921 1 4 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.582 -1.422 18010 922 1 4 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.865 0.204 18010 923 1 4 . 1 1 42 42 LEU H H 52 7.790 7.790 7.755 0.035 18010 924 1 4 . 1 1 43 43 ALA N N 53 122.850 122.850 120.527 2.323 18010 925 1 4 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.912 0.198 18010 926 1 4 . 1 1 43 43 ALA C C 53 178.490 178.490 178.952 -0.462 18010 927 1 4 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.158 -0.568 18010 928 1 4 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.569 0.271 18010 929 1 4 . 1 1 43 43 ALA H H 53 7.990 7.990 7.757 0.233 18010 930 1 4 . 1 1 44 44 LYS N N 54 118.370 118.370 117.913 0.457 18010 931 1 4 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.082 0.148 18010 932 1 4 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.475 -0.505 18010 933 1 4 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.866 -0.266 18010 934 1 4 . 1 1 44 44 LYS H H 54 7.850 7.850 7.443 0.407 18010 935 1 4 . 1 1 45 45 LEU N N 55 121.540 121.540 117.706 3.834 18010 936 1 4 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.889 0.391 18010 937 1 4 . 1 1 45 45 LEU C C 55 177.790 177.790 175.446 2.344 18010 938 1 4 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.308 -0.258 18010 939 1 4 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.102 1.117 18010 940 1 4 . 1 1 45 45 LEU H H 55 7.920 7.920 7.909 0.011 18010 941 1 5 . 1 1 4 4 LYS N N 14 123.250 123.250 121.784 1.466 18010 942 1 5 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.321 -0.141 18010 943 1 5 . 1 1 4 4 LYS C C 14 177.770 177.770 177.495 0.275 18010 944 1 5 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.142 0.478 18010 945 1 5 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.088 0.492 18010 946 1 5 . 1 1 4 4 LYS H H 14 8.480 8.480 8.486 -0.006 18010 947 1 5 . 1 1 5 5 GLU N N 15 121.270 121.270 121.041 0.229 18010 948 1 5 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.999 0.211 18010 949 1 5 . 1 1 5 5 GLU C C 15 177.390 177.390 178.253 -0.863 18010 950 1 5 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.438 -1.698 18010 951 1 5 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.225 0.735 18010 952 1 5 . 1 1 5 5 GLU H H 15 8.330 8.330 8.508 -0.178 18010 953 1 5 . 1 1 6 6 GLU N N 16 121.480 121.480 119.737 1.743 18010 954 1 5 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.056 0.104 18010 955 1 5 . 1 1 6 6 GLU C C 16 177.740 177.740 178.170 -0.430 18010 956 1 5 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.303 -1.563 18010 957 1 5 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.507 0.453 18010 958 1 5 . 1 1 6 6 GLU H H 16 8.350 8.350 7.639 0.711 18010 959 1 5 . 1 1 7 7 ALA N N 17 124.390 124.390 121.630 2.760 18010 960 1 5 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.111 0.079 18010 961 1 5 . 1 1 7 7 ALA C C 17 178.580 178.580 179.838 -1.258 18010 962 1 5 . 1 1 7 7 ALA CA C 17 53.630 53.630 55.027 -1.397 18010 963 1 5 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.238 0.632 18010 964 1 5 . 1 1 7 7 ALA H H 17 8.230 8.230 8.306 -0.076 18010 965 1 5 . 1 1 8 8 LYS N N 18 119.380 119.380 118.861 0.519 18010 966 1 5 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.976 0.034 18010 967 1 5 . 1 1 8 8 LYS C C 18 177.960 177.960 179.255 -1.295 18010 968 1 5 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.771 -1.711 18010 969 1 5 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.284 0.456 18010 970 1 5 . 1 1 8 8 LYS H H 18 8.070 8.070 7.651 0.419 18010 971 1 5 . 1 1 9 9 GLN N N 19 120.230 120.230 118.703 1.527 18010 972 1 5 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.085 0.145 18010 973 1 5 . 1 1 9 9 GLN C C 19 176.550 176.550 178.498 -1.948 18010 974 1 5 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.763 -1.573 18010 975 1 5 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.609 0.211 18010 976 1 5 . 1 1 9 9 GLN H H 19 8.140 8.140 7.682 0.458 18010 977 1 5 . 1 1 10 10 ALA N N 20 123.740 123.740 122.863 0.877 18010 978 1 5 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.132 0.068 18010 979 1 5 . 1 1 10 10 ALA C C 20 178.730 178.730 179.198 -0.468 18010 980 1 5 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.784 -0.964 18010 981 1 5 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.450 0.390 18010 982 1 5 . 1 1 10 10 ALA H H 20 8.180 8.180 7.727 0.453 18010 983 1 5 . 1 1 11 11 PHE N N 21 118.790 118.790 119.176 -0.386 18010 984 1 5 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.144 0.256 18010 985 1 5 . 1 1 11 11 PHE C C 21 176.380 176.380 177.307 -0.927 18010 986 1 5 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.514 -2.394 18010 987 1 5 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.264 0.056 18010 988 1 5 . 1 1 11 11 PHE H H 21 8.180 8.180 7.945 0.235 18010 989 1 5 . 1 1 12 12 LYS N N 22 120.470 120.470 118.679 1.791 18010 990 1 5 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.840 0.170 18010 991 1 5 . 1 1 12 12 LYS C C 22 177.950 177.950 179.079 -1.129 18010 992 1 5 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.009 -1.289 18010 993 1 5 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.255 0.515 18010 994 1 5 . 1 1 12 12 LYS H H 22 7.980 7.980 7.866 0.114 18010 995 1 5 . 1 1 13 13 GLU N N 23 120.060 120.060 120.123 -0.063 18010 996 1 5 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.039 0.141 18010 997 1 5 . 1 1 13 13 GLU C C 23 178.170 178.170 179.120 -0.950 18010 998 1 5 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.258 -2.418 18010 999 1 5 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.567 -0.077 18010 1000 1 5 . 1 1 13 13 GLU H H 23 8.140 8.140 7.951 0.189 18010 1001 1 5 . 1 1 14 14 LEU N N 24 122.360 122.360 120.639 1.721 18010 1002 1 5 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.989 0.411 18010 1003 1 5 . 1 1 14 14 LEU C C 24 178.260 178.260 179.123 -0.863 18010 1004 1 5 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.940 -1.100 18010 1005 1 5 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.848 0.242 18010 1006 1 5 . 1 1 14 14 LEU H H 24 8.030 8.030 8.273 -0.243 18010 1007 1 5 . 1 1 15 15 LEU N N 25 120.260 120.260 117.809 2.451 18010 1008 1 5 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.804 0.256 18010 1009 1 5 . 1 1 15 15 LEU C C 25 177.990 177.990 178.103 -0.113 18010 1010 1 5 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.479 -0.939 18010 1011 1 5 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.554 0.366 18010 1012 1 5 . 1 1 15 15 LEU H H 25 7.990 7.990 7.646 0.344 18010 1013 1 5 . 1 1 16 16 LYS N N 26 120.680 120.680 115.765 4.915 18010 1014 1 5 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.973 0.227 18010 1015 1 5 . 1 1 16 16 LYS C C 26 177.940 177.940 178.282 -0.342 18010 1016 1 5 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.790 -1.180 18010 1017 1 5 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.669 0.131 18010 1018 1 5 . 1 1 16 16 LYS H H 26 7.890 7.890 7.526 0.364 18010 1019 1 5 . 1 1 17 17 GLU N N 27 120.470 120.470 118.096 2.374 18010 1020 1 5 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.144 0.036 18010 1021 1 5 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.047 -1.037 18010 1022 1 5 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.205 -1.275 18010 1023 1 5 . 1 1 17 17 GLU H H 27 8.170 8.170 7.863 0.307 18010 1024 1 5 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.182 0.068 18010 1025 1 5 . 1 1 19 19 ARG C C 29 175.920 175.920 175.325 0.595 18010 1026 1 5 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.450 -0.510 18010 1027 1 5 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.742 -0.562 18010 1028 1 5 . 1 1 20 20 VAL N N 30 121.110 121.110 123.054 -1.944 18010 1029 1 5 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.333 -0.003 18010 1030 1 5 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.728 -0.068 18010 1031 1 5 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.073 0.707 18010 1032 1 5 . 1 1 20 20 VAL H H 30 7.990 7.990 8.222 -0.232 18010 1033 1 5 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.515 -0.095 18010 1034 1 5 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.029 -0.329 18010 1035 1 5 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.364 0.026 18010 1036 1 5 . 1 1 22 22 SER N N 32 116.500 116.500 118.610 -2.110 18010 1037 1 5 . 1 1 22 22 SER HA H 32 4.310 4.310 4.002 0.308 18010 1038 1 5 . 1 1 22 22 SER C C 32 174.600 174.600 175.303 -0.703 18010 1039 1 5 . 1 1 22 22 SER CA C 32 59.370 59.370 60.949 -1.579 18010 1040 1 5 . 1 1 22 22 SER CB C 32 63.870 63.870 63.220 0.650 18010 1041 1 5 . 1 1 22 22 SER H H 32 8.530 8.530 8.555 -0.025 18010 1042 1 5 . 1 1 23 23 ASN N N 33 119.050 119.050 120.284 -1.234 18010 1043 1 5 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.588 0.132 18010 1044 1 5 . 1 1 23 23 ASN C C 33 175.220 175.220 175.945 -0.725 18010 1045 1 5 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.824 -0.874 18010 1046 1 5 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.106 0.194 18010 1047 1 5 . 1 1 23 23 ASN H H 33 8.310 8.310 8.362 -0.052 18010 1048 1 5 . 1 1 24 24 ALA N N 34 123.610 123.610 123.041 0.569 18010 1049 1 5 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.286 0.014 18010 1050 1 5 . 1 1 24 24 ALA C C 34 178.100 178.100 177.548 0.552 18010 1051 1 5 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.531 0.489 18010 1052 1 5 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.308 -0.048 18010 1053 1 5 . 1 1 24 24 ALA H H 34 7.960 7.960 7.477 0.483 18010 1054 1 5 . 1 1 25 25 SER N N 35 116.140 116.140 111.101 5.039 18010 1055 1 5 . 1 1 25 25 SER HA H 35 4.490 4.490 4.499 -0.009 18010 1056 1 5 . 1 1 25 25 SER C C 35 175.380 175.380 174.374 1.006 18010 1057 1 5 . 1 1 25 25 SER CA C 35 58.290 58.290 57.602 0.688 18010 1058 1 5 . 1 1 25 25 SER CB C 35 64.100 64.100 64.690 -0.590 18010 1059 1 5 . 1 1 25 25 SER H H 35 8.350 8.350 7.908 0.442 18010 1060 1 5 . 1 1 26 26 TRP N N 36 123.670 123.670 122.841 0.829 18010 1061 1 5 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.375 -0.065 18010 1062 1 5 . 1 1 26 26 TRP C C 36 177.060 177.060 178.304 -1.244 18010 1063 1 5 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.164 -1.974 18010 1064 1 5 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.186 -0.466 18010 1065 1 5 . 1 1 26 26 TRP H H 36 8.570 8.570 8.793 -0.223 18010 1066 1 5 . 1 1 27 27 GLU N N 37 119.050 119.050 118.134 0.916 18010 1067 1 5 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.099 -0.359 18010 1068 1 5 . 1 1 27 27 GLU C C 37 178.570 178.570 179.230 -0.660 18010 1069 1 5 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.900 -0.440 18010 1070 1 5 . 1 1 27 27 GLU CB C 37 29.300 29.300 28.759 0.541 18010 1071 1 5 . 1 1 27 27 GLU H H 37 8.320 8.320 8.782 -0.462 18010 1072 1 5 . 1 1 28 28 GLN N N 38 118.900 118.900 119.169 -0.269 18010 1073 1 5 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.132 -0.152 18010 1074 1 5 . 1 1 28 28 GLN C C 38 177.940 177.940 178.451 -0.511 18010 1075 1 5 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.391 -1.761 18010 1076 1 5 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.704 1.716 18010 1077 1 5 . 1 1 28 28 GLN H H 38 7.790 7.790 7.503 0.287 18010 1078 1 5 . 1 1 29 29 ALA N N 39 122.810 122.810 123.045 -0.235 18010 1079 1 5 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.974 0.006 18010 1080 1 5 . 1 1 29 29 ALA C C 39 179.110 179.110 179.446 -0.336 18010 1081 1 5 . 1 1 29 29 ALA CA C 39 54.560 54.560 55.182 -0.622 18010 1082 1 5 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.409 0.171 18010 1083 1 5 . 1 1 29 29 ALA H H 39 8.170 8.170 8.462 -0.292 18010 1084 1 5 . 1 1 30 30 MET N N 40 116.270 116.270 117.190 -0.920 18010 1085 1 5 . 1 1 30 30 MET HA H 40 4.070 4.070 4.156 -0.086 18010 1086 1 5 . 1 1 30 30 MET C C 40 177.710 177.710 178.672 -0.962 18010 1087 1 5 . 1 1 30 30 MET CA C 40 56.930 56.930 59.208 -2.278 18010 1088 1 5 . 1 1 30 30 MET CB C 40 32.000 32.000 32.681 -0.681 18010 1089 1 5 . 1 1 30 30 MET H H 40 8.150 8.150 8.289 -0.139 18010 1090 1 5 . 1 1 31 31 LYS N N 41 118.730 118.730 118.927 -0.197 18010 1091 1 5 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.955 0.005 18010 1092 1 5 . 1 1 31 31 LYS C C 41 177.860 177.860 179.027 -1.167 18010 1093 1 5 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.453 -0.873 18010 1094 1 5 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.107 0.333 18010 1095 1 5 . 1 1 31 31 LYS H H 41 7.620 7.620 7.567 0.053 18010 1096 1 5 . 1 1 32 32 MET N N 42 117.330 117.330 118.346 -1.016 18010 1097 1 5 . 1 1 32 32 MET HA H 42 4.260 4.260 4.180 0.080 18010 1098 1 5 . 1 1 32 32 MET C C 42 177.460 177.460 178.755 -1.295 18010 1099 1 5 . 1 1 32 32 MET CA C 42 57.230 57.230 58.018 -0.788 18010 1100 1 5 . 1 1 32 32 MET CB C 42 32.850 32.850 32.118 0.732 18010 1101 1 5 . 1 1 32 32 MET H H 42 7.680 7.680 7.801 -0.121 18010 1102 1 5 . 1 1 33 33 ILE N N 43 118.210 118.210 115.805 2.405 18010 1103 1 5 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.873 0.177 18010 1104 1 5 . 1 1 33 33 ILE C C 43 176.780 176.780 178.149 -1.369 18010 1105 1 5 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.911 -1.081 18010 1106 1 5 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.679 1.021 18010 1107 1 5 . 1 1 33 33 ILE H H 43 7.740 7.740 7.475 0.265 18010 1108 1 5 . 1 1 34 34 ILE N N 44 119.000 119.000 119.367 -0.367 18010 1109 1 5 . 1 1 34 34 ILE HA H 44 4.110 4.110 2.962 1.148 18010 1110 1 5 . 1 1 34 34 ILE C C 44 175.920 175.920 176.953 -1.033 18010 1111 1 5 . 1 1 34 34 ILE CA C 44 62.680 62.680 63.263 -0.583 18010 1112 1 5 . 1 1 34 34 ILE CB C 44 38.910 38.910 36.953 1.958 18010 1113 1 5 . 1 1 34 34 ILE H H 44 7.770 7.770 7.390 0.380 18010 1114 1 5 . 1 1 35 35 ASN N N 45 118.210 118.210 116.417 1.793 18010 1115 1 5 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.546 0.174 18010 1116 1 5 . 1 1 35 35 ASN C C 45 174.600 174.600 175.646 -1.046 18010 1117 1 5 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.384 -1.154 18010 1118 1 5 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.756 0.334 18010 1119 1 5 . 1 1 35 35 ASN H H 45 7.870 7.870 7.648 0.222 18010 1120 1 5 . 1 1 36 36 ASP N N 46 123.510 123.510 121.669 1.841 18010 1121 1 5 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.592 0.338 18010 1122 1 5 . 1 1 36 36 ASP C C 46 175.630 175.630 176.089 -0.459 18010 1123 1 5 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.543 -2.573 18010 1124 1 5 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.378 1.752 18010 1125 1 5 . 1 1 36 36 ASP H H 46 7.920 7.920 7.451 0.469 18010 1126 1 5 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.198 0.252 18010 1127 1 5 . 1 1 37 37 PRO C C 47 178.100 178.100 178.473 -0.373 18010 1128 1 5 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.221 -1.131 18010 1129 1 5 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.881 0.159 18010 1130 1 5 . 1 1 38 38 ARG N N 48 118.490 118.490 115.754 2.736 18010 1131 1 5 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.148 -0.058 18010 1132 1 5 . 1 1 38 38 ARG C C 48 177.700 177.700 178.789 -1.089 18010 1133 1 5 . 1 1 38 38 ARG CA C 48 57.810 57.810 58.364 -0.554 18010 1134 1 5 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.723 0.437 18010 1135 1 5 . 1 1 38 38 ARG H H 48 8.780 8.780 8.308 0.472 18010 1136 1 5 . 1 1 39 39 TYR N N 49 118.350 118.350 122.542 -4.192 18010 1137 1 5 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.158 0.372 18010 1138 1 5 . 1 1 39 39 TYR C C 49 176.550 176.550 176.986 -0.436 18010 1139 1 5 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.307 -2.357 18010 1140 1 5 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.344 0.646 18010 1141 1 5 . 1 1 39 39 TYR H H 49 7.900 7.900 8.726 -0.826 18010 1142 1 5 . 1 1 40 40 SER N N 50 115.790 115.790 115.492 0.298 18010 1143 1 5 . 1 1 40 40 SER HA H 50 4.230 4.230 3.961 0.269 18010 1144 1 5 . 1 1 40 40 SER C C 50 175.570 175.570 176.308 -0.738 18010 1145 1 5 . 1 1 40 40 SER CA C 50 60.080 60.080 61.132 -1.052 18010 1146 1 5 . 1 1 40 40 SER CB C 50 63.230 63.230 62.792 0.438 18010 1147 1 5 . 1 1 40 40 SER H H 50 7.930 7.930 8.015 -0.085 18010 1148 1 5 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.105 0.125 18010 1149 1 5 . 1 1 41 41 ALA C C 51 178.570 178.570 179.241 -0.671 18010 1150 1 5 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.576 -0.696 18010 1151 1 5 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.209 0.631 18010 1152 1 5 . 1 1 41 41 ALA H H 51 8.180 8.180 7.824 0.356 18010 1153 1 5 . 1 1 42 42 LEU N N 52 118.900 118.900 119.451 -0.551 18010 1154 1 5 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.868 0.302 18010 1155 1 5 . 1 1 42 42 LEU C C 52 178.140 178.140 178.798 -0.658 18010 1156 1 5 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.232 -1.072 18010 1157 1 5 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.349 0.721 18010 1158 1 5 . 1 1 42 42 LEU H H 52 7.790 7.790 7.731 0.059 18010 1159 1 5 . 1 1 43 43 ALA N N 53 122.850 122.850 120.713 2.137 18010 1160 1 5 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.952 0.158 18010 1161 1 5 . 1 1 43 43 ALA C C 53 178.490 178.490 179.022 -0.532 18010 1162 1 5 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.105 -0.515 18010 1163 1 5 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.619 0.221 18010 1164 1 5 . 1 1 43 43 ALA H H 53 7.990 7.990 7.669 0.321 18010 1165 1 5 . 1 1 44 44 LYS N N 54 118.370 118.370 117.983 0.387 18010 1166 1 5 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.091 0.139 18010 1167 1 5 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.477 -0.506 18010 1168 1 5 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.888 -0.288 18010 1169 1 5 . 1 1 44 44 LYS H H 54 7.850 7.850 7.511 0.339 18010 1170 1 5 . 1 1 45 45 LEU N N 55 121.540 121.540 117.666 3.874 18010 1171 1 5 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.910 0.370 18010 1172 1 5 . 1 1 45 45 LEU C C 55 177.790 177.790 175.621 2.169 18010 1173 1 5 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.087 -0.037 18010 1174 1 5 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.162 1.058 18010 1175 1 5 . 1 1 45 45 LEU H H 55 7.920 7.920 8.011 -0.091 18010 1176 1 6 . 1 1 4 4 LYS N N 14 123.250 123.250 119.169 4.081 18010 1177 1 6 . 1 1 4 4 LYS HA H 14 4.180 4.180 3.950 0.230 18010 1178 1 6 . 1 1 4 4 LYS C C 14 177.770 177.770 177.200 0.570 18010 1179 1 6 . 1 1 4 4 LYS CA C 14 57.620 57.620 57.226 0.394 18010 1180 1 6 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.387 1.193 18010 1181 1 6 . 1 1 4 4 LYS H H 14 8.480 8.480 8.500 -0.020 18010 1182 1 6 . 1 1 5 5 GLU N N 15 121.270 121.270 119.927 1.343 18010 1183 1 6 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.016 0.194 18010 1184 1 6 . 1 1 5 5 GLU C C 15 177.390 177.390 178.499 -1.109 18010 1185 1 6 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.427 -1.687 18010 1186 1 6 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.668 0.292 18010 1187 1 6 . 1 1 5 5 GLU H H 15 8.330 8.330 8.853 -0.523 18010 1188 1 6 . 1 1 6 6 GLU N N 16 121.480 121.480 119.845 1.635 18010 1189 1 6 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.301 -0.141 18010 1190 1 6 . 1 1 6 6 GLU C C 16 177.740 177.740 179.103 -1.363 18010 1191 1 6 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.392 -1.652 18010 1192 1 6 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.396 0.564 18010 1193 1 6 . 1 1 6 6 GLU H H 16 8.350 8.350 8.736 -0.386 18010 1194 1 6 . 1 1 7 7 ALA N N 17 124.390 124.390 122.064 2.326 18010 1195 1 6 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.182 0.008 18010 1196 1 6 . 1 1 7 7 ALA C C 17 178.580 178.580 179.226 -0.646 18010 1197 1 6 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.704 -1.074 18010 1198 1 6 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.182 0.688 18010 1199 1 6 . 1 1 7 7 ALA H H 17 8.230 8.230 8.135 0.095 18010 1200 1 6 . 1 1 8 8 LYS N N 18 119.380 119.380 118.899 0.481 18010 1201 1 6 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.999 0.011 18010 1202 1 6 . 1 1 8 8 LYS C C 18 177.960 177.960 179.005 -1.045 18010 1203 1 6 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.340 -1.280 18010 1204 1 6 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.365 0.375 18010 1205 1 6 . 1 1 8 8 LYS H H 18 8.070 8.070 7.840 0.230 18010 1206 1 6 . 1 1 9 9 GLN N N 19 120.230 120.230 118.078 2.152 18010 1207 1 6 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.118 0.112 18010 1208 1 6 . 1 1 9 9 GLN C C 19 176.550 176.550 178.378 -1.828 18010 1209 1 6 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.423 -1.233 18010 1210 1 6 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.591 0.229 18010 1211 1 6 . 1 1 9 9 GLN H H 19 8.140 8.140 7.935 0.205 18010 1212 1 6 . 1 1 10 10 ALA N N 20 123.740 123.740 122.722 1.018 18010 1213 1 6 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.120 0.080 18010 1214 1 6 . 1 1 10 10 ALA C C 20 178.730 178.730 178.804 -0.074 18010 1215 1 6 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.895 -1.075 18010 1216 1 6 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.424 0.416 18010 1217 1 6 . 1 1 10 10 ALA H H 20 8.180 8.180 7.733 0.447 18010 1218 1 6 . 1 1 11 11 PHE N N 21 118.790 118.790 119.053 -0.263 18010 1219 1 6 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.168 0.232 18010 1220 1 6 . 1 1 11 11 PHE C C 21 176.380 176.380 177.178 -0.798 18010 1221 1 6 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.331 -2.211 18010 1222 1 6 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.240 0.080 18010 1223 1 6 . 1 1 11 11 PHE H H 21 8.180 8.180 7.685 0.495 18010 1224 1 6 . 1 1 12 12 LYS N N 22 120.470 120.470 118.594 1.876 18010 1225 1 6 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.796 0.214 18010 1226 1 6 . 1 1 12 12 LYS C C 22 177.950 177.950 178.668 -0.718 18010 1227 1 6 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.812 -1.093 18010 1228 1 6 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.179 0.591 18010 1229 1 6 . 1 1 12 12 LYS H H 22 7.980 7.980 7.677 0.303 18010 1230 1 6 . 1 1 13 13 GLU N N 23 120.060 120.060 120.248 -0.188 18010 1231 1 6 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.042 0.138 18010 1232 1 6 . 1 1 13 13 GLU C C 23 178.170 178.170 178.843 -0.673 18010 1233 1 6 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.243 -2.403 18010 1234 1 6 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.726 -0.236 18010 1235 1 6 . 1 1 13 13 GLU H H 23 8.140 8.140 7.888 0.252 18010 1236 1 6 . 1 1 14 14 LEU N N 24 122.360 122.360 121.580 0.780 18010 1237 1 6 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.041 0.359 18010 1238 1 6 . 1 1 14 14 LEU C C 24 178.260 178.260 178.478 -0.218 18010 1239 1 6 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.703 -0.863 18010 1240 1 6 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.796 0.294 18010 1241 1 6 . 1 1 14 14 LEU H H 24 8.030 8.030 7.973 0.057 18010 1242 1 6 . 1 1 15 15 LEU N N 25 120.260 120.260 118.921 1.339 18010 1243 1 6 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.741 0.319 18010 1244 1 6 . 1 1 15 15 LEU C C 25 177.990 177.990 178.770 -0.780 18010 1245 1 6 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.539 -0.999 18010 1246 1 6 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.452 0.468 18010 1247 1 6 . 1 1 15 15 LEU H H 25 7.990 7.990 7.459 0.531 18010 1248 1 6 . 1 1 16 16 LYS N N 26 120.680 120.680 117.961 2.719 18010 1249 1 6 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.946 0.254 18010 1250 1 6 . 1 1 16 16 LYS C C 26 177.940 177.940 178.124 -0.184 18010 1251 1 6 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.114 -1.504 18010 1252 1 6 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.493 0.307 18010 1253 1 6 . 1 1 16 16 LYS H H 26 7.890 7.890 7.712 0.178 18010 1254 1 6 . 1 1 17 17 GLU N N 27 120.470 120.470 118.170 2.300 18010 1255 1 6 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.107 0.073 18010 1256 1 6 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.226 -1.216 18010 1257 1 6 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.119 -1.189 18010 1258 1 6 . 1 1 17 17 GLU H H 27 8.170 8.170 7.768 0.402 18010 1259 1 6 . 1 1 19 19 ARG HA H 29 4.250 4.250 3.991 0.259 18010 1260 1 6 . 1 1 19 19 ARG C C 29 175.920 175.920 176.036 -0.116 18010 1261 1 6 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.999 -2.059 18010 1262 1 6 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.395 -0.215 18010 1263 1 6 . 1 1 20 20 VAL N N 30 121.110 121.110 117.469 3.641 18010 1264 1 6 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.779 0.551 18010 1265 1 6 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.019 -2.359 18010 1266 1 6 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.112 2.668 18010 1267 1 6 . 1 1 20 20 VAL H H 30 7.990 7.990 8.105 -0.115 18010 1268 1 6 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.405 0.015 18010 1269 1 6 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.167 -0.467 18010 1270 1 6 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.495 -0.105 18010 1271 1 6 . 1 1 22 22 SER N N 32 116.500 116.500 117.905 -1.405 18010 1272 1 6 . 1 1 22 22 SER HA H 32 4.310 4.310 4.059 0.251 18010 1273 1 6 . 1 1 22 22 SER C C 32 174.600 174.600 175.424 -0.824 18010 1274 1 6 . 1 1 22 22 SER CA C 32 59.370 59.370 60.642 -1.272 18010 1275 1 6 . 1 1 22 22 SER CB C 32 63.870 63.870 63.308 0.562 18010 1276 1 6 . 1 1 22 22 SER H H 32 8.530 8.530 8.546 -0.016 18010 1277 1 6 . 1 1 23 23 ASN N N 33 119.050 119.050 119.561 -0.511 18010 1278 1 6 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.558 0.162 18010 1279 1 6 . 1 1 23 23 ASN C C 33 175.220 175.220 175.634 -0.414 18010 1280 1 6 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.755 -0.805 18010 1281 1 6 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.946 0.354 18010 1282 1 6 . 1 1 23 23 ASN H H 33 8.310 8.310 8.255 0.055 18010 1283 1 6 . 1 1 24 24 ALA N N 34 123.610 123.610 122.837 0.773 18010 1284 1 6 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.469 -0.169 18010 1285 1 6 . 1 1 24 24 ALA C C 34 178.100 178.100 176.925 1.175 18010 1286 1 6 . 1 1 24 24 ALA CA C 34 53.020 53.020 51.895 1.125 18010 1287 1 6 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.883 -0.623 18010 1288 1 6 . 1 1 24 24 ALA H H 34 7.960 7.960 7.566 0.394 18010 1289 1 6 . 1 1 25 25 SER N N 35 116.140 116.140 118.557 -2.417 18010 1290 1 6 . 1 1 25 25 SER HA H 35 4.490 4.490 4.483 0.007 18010 1291 1 6 . 1 1 25 25 SER C C 35 175.380 175.380 175.761 -0.381 18010 1292 1 6 . 1 1 25 25 SER CA C 35 58.290 58.290 57.327 0.963 18010 1293 1 6 . 1 1 25 25 SER CB C 35 64.100 64.100 65.090 -0.990 18010 1294 1 6 . 1 1 25 25 SER H H 35 8.350 8.350 8.471 -0.121 18010 1295 1 6 . 1 1 26 26 TRP N N 36 123.670 123.670 121.302 2.368 18010 1296 1 6 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.441 -0.131 18010 1297 1 6 . 1 1 26 26 TRP C C 36 177.060 177.060 178.441 -1.381 18010 1298 1 6 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.322 -2.132 18010 1299 1 6 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.452 -0.732 18010 1300 1 6 . 1 1 26 26 TRP H H 36 8.570 8.570 8.796 -0.226 18010 1301 1 6 . 1 1 27 27 GLU N N 37 119.050 119.050 119.126 -0.076 18010 1302 1 6 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.026 -0.286 18010 1303 1 6 . 1 1 27 27 GLU C C 37 178.570 178.570 179.260 -0.690 18010 1304 1 6 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.622 -0.162 18010 1305 1 6 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.301 -0.001 18010 1306 1 6 . 1 1 27 27 GLU H H 37 8.320 8.320 8.053 0.267 18010 1307 1 6 . 1 1 28 28 GLN N N 38 118.900 118.900 118.936 -0.036 18010 1308 1 6 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.084 -0.104 18010 1309 1 6 . 1 1 28 28 GLN C C 38 177.940 177.940 178.498 -0.558 18010 1310 1 6 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.512 -1.882 18010 1311 1 6 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.691 1.729 18010 1312 1 6 . 1 1 28 28 GLN H H 38 7.790 7.790 7.570 0.220 18010 1313 1 6 . 1 1 29 29 ALA N N 39 122.810 122.810 122.618 0.192 18010 1314 1 6 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.042 -0.062 18010 1315 1 6 . 1 1 29 29 ALA C C 39 179.110 179.110 179.474 -0.364 18010 1316 1 6 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.890 -0.330 18010 1317 1 6 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.399 0.181 18010 1318 1 6 . 1 1 29 29 ALA H H 39 8.170 8.170 8.345 -0.175 18010 1319 1 6 . 1 1 30 30 MET N N 40 116.270 116.270 117.214 -0.944 18010 1320 1 6 . 1 1 30 30 MET HA H 40 4.070 4.070 4.076 -0.006 18010 1321 1 6 . 1 1 30 30 MET C C 40 177.710 177.710 178.670 -0.960 18010 1322 1 6 . 1 1 30 30 MET CA C 40 56.930 56.930 59.203 -2.273 18010 1323 1 6 . 1 1 30 30 MET CB C 40 32.000 32.000 32.640 -0.640 18010 1324 1 6 . 1 1 30 30 MET H H 40 8.150 8.150 8.229 -0.079 18010 1325 1 6 . 1 1 31 31 LYS N N 41 118.730 118.730 119.461 -0.731 18010 1326 1 6 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.978 -0.018 18010 1327 1 6 . 1 1 31 31 LYS C C 41 177.860 177.860 179.094 -1.234 18010 1328 1 6 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.250 -0.670 18010 1329 1 6 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.225 0.215 18010 1330 1 6 . 1 1 31 31 LYS H H 41 7.620 7.620 7.584 0.036 18010 1331 1 6 . 1 1 32 32 MET N N 42 117.330 117.330 118.320 -0.990 18010 1332 1 6 . 1 1 32 32 MET HA H 42 4.260 4.260 4.096 0.164 18010 1333 1 6 . 1 1 32 32 MET C C 42 177.460 177.460 178.721 -1.261 18010 1334 1 6 . 1 1 32 32 MET CA C 42 57.230 57.230 59.572 -2.342 18010 1335 1 6 . 1 1 32 32 MET CB C 42 32.850 32.850 33.011 -0.161 18010 1336 1 6 . 1 1 32 32 MET H H 42 7.680 7.680 7.907 -0.227 18010 1337 1 6 . 1 1 33 33 ILE N N 43 118.210 118.210 116.501 1.709 18010 1338 1 6 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.818 0.232 18010 1339 1 6 . 1 1 33 33 ILE C C 43 176.780 176.780 177.927 -1.147 18010 1340 1 6 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.899 -1.069 18010 1341 1 6 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.444 1.256 18010 1342 1 6 . 1 1 33 33 ILE H H 43 7.740 7.740 7.472 0.268 18010 1343 1 6 . 1 1 34 34 ILE N N 44 119.000 119.000 120.520 -1.520 18010 1344 1 6 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.247 0.863 18010 1345 1 6 . 1 1 34 34 ILE C C 44 175.920 175.920 177.058 -1.138 18010 1346 1 6 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.592 -1.912 18010 1347 1 6 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.757 1.153 18010 1348 1 6 . 1 1 34 34 ILE H H 44 7.770 7.770 7.363 0.407 18010 1349 1 6 . 1 1 35 35 ASN N N 45 118.210 118.210 116.778 1.432 18010 1350 1 6 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.497 0.223 18010 1351 1 6 . 1 1 35 35 ASN C C 45 174.600 174.600 175.564 -0.964 18010 1352 1 6 . 1 1 35 35 ASN CA C 45 53.230 53.230 55.085 -1.855 18010 1353 1 6 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.787 0.303 18010 1354 1 6 . 1 1 35 35 ASN H H 45 7.870 7.870 7.631 0.239 18010 1355 1 6 . 1 1 36 36 ASP N N 46 123.510 123.510 121.072 2.438 18010 1356 1 6 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.623 0.307 18010 1357 1 6 . 1 1 36 36 ASP C C 46 175.630 175.630 175.962 -0.332 18010 1358 1 6 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.196 -2.226 18010 1359 1 6 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.342 1.788 18010 1360 1 6 . 1 1 36 36 ASP H H 46 7.920 7.920 7.462 0.458 18010 1361 1 6 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.181 0.269 18010 1362 1 6 . 1 1 37 37 PRO C C 47 178.100 178.100 178.457 -0.357 18010 1363 1 6 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.277 -1.187 18010 1364 1 6 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.889 0.151 18010 1365 1 6 . 1 1 38 38 ARG N N 48 118.490 118.490 116.129 2.361 18010 1366 1 6 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.055 0.035 18010 1367 1 6 . 1 1 38 38 ARG C C 48 177.700 177.700 178.470 -0.770 18010 1368 1 6 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.431 -1.621 18010 1369 1 6 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.864 0.296 18010 1370 1 6 . 1 1 38 38 ARG H H 48 8.780 8.780 8.327 0.453 18010 1371 1 6 . 1 1 39 39 TYR N N 49 118.350 118.350 121.021 -2.671 18010 1372 1 6 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.168 0.362 18010 1373 1 6 . 1 1 39 39 TYR C C 49 176.550 176.550 176.853 -0.303 18010 1374 1 6 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.656 -2.706 18010 1375 1 6 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.152 0.838 18010 1376 1 6 . 1 1 39 39 TYR H H 49 7.900 7.900 8.502 -0.602 18010 1377 1 6 . 1 1 40 40 SER N N 50 115.790 115.790 114.989 0.801 18010 1378 1 6 . 1 1 40 40 SER HA H 50 4.230 4.230 3.907 0.323 18010 1379 1 6 . 1 1 40 40 SER C C 50 175.570 175.570 176.500 -0.930 18010 1380 1 6 . 1 1 40 40 SER CA C 50 60.080 60.080 61.230 -1.150 18010 1381 1 6 . 1 1 40 40 SER CB C 50 63.230 63.230 62.702 0.528 18010 1382 1 6 . 1 1 40 40 SER H H 50 7.930 7.930 7.799 0.131 18010 1383 1 6 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.019 0.211 18010 1384 1 6 . 1 1 41 41 ALA C C 51 178.570 178.570 179.179 -0.609 18010 1385 1 6 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.688 -0.808 18010 1386 1 6 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.579 0.261 18010 1387 1 6 . 1 1 41 41 ALA H H 51 8.180 8.180 7.347 0.833 18010 1388 1 6 . 1 1 42 42 LEU N N 52 118.900 118.900 119.876 -0.976 18010 1389 1 6 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.939 0.231 18010 1390 1 6 . 1 1 42 42 LEU C C 52 178.140 178.140 178.524 -0.384 18010 1391 1 6 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.648 -1.488 18010 1392 1 6 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.913 0.157 18010 1393 1 6 . 1 1 42 42 LEU H H 52 7.790 7.790 7.876 -0.086 18010 1394 1 6 . 1 1 43 43 ALA N N 53 122.850 122.850 120.639 2.211 18010 1395 1 6 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.877 0.233 18010 1396 1 6 . 1 1 43 43 ALA C C 53 178.490 178.490 178.725 -0.235 18010 1397 1 6 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.171 -0.581 18010 1398 1 6 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.463 0.377 18010 1399 1 6 . 1 1 43 43 ALA H H 53 7.990 7.990 7.678 0.312 18010 1400 1 6 . 1 1 44 44 LYS N N 54 118.370 118.370 118.964 -0.594 18010 1401 1 6 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.084 0.146 18010 1402 1 6 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.279 -0.309 18010 1403 1 6 . 1 1 44 44 LYS CB C 54 32.600 32.600 33.085 -0.485 18010 1404 1 6 . 1 1 44 44 LYS H H 54 7.850 7.850 7.452 0.398 18010 1405 1 6 . 1 1 45 45 LEU N N 55 121.540 121.540 118.538 3.002 18010 1406 1 6 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.930 0.350 18010 1407 1 6 . 1 1 45 45 LEU C C 55 177.790 177.790 175.419 2.371 18010 1408 1 6 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.101 -0.051 18010 1409 1 6 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.986 1.234 18010 1410 1 6 . 1 1 45 45 LEU H H 55 7.920 7.920 8.038 -0.118 18010 1411 1 7 . 1 1 4 4 LYS N N 14 123.250 123.250 122.880 0.370 18010 1412 1 7 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.278 -0.098 18010 1413 1 7 . 1 1 4 4 LYS C C 14 177.770 177.770 176.891 0.879 18010 1414 1 7 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.541 1.079 18010 1415 1 7 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.066 0.514 18010 1416 1 7 . 1 1 4 4 LYS H H 14 8.480 8.480 8.631 -0.151 18010 1417 1 7 . 1 1 5 5 GLU N N 15 121.270 121.270 120.207 1.063 18010 1418 1 7 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.996 0.214 18010 1419 1 7 . 1 1 5 5 GLU C C 15 177.390 177.390 178.344 -0.954 18010 1420 1 7 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.363 -1.623 18010 1421 1 7 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.643 0.317 18010 1422 1 7 . 1 1 5 5 GLU H H 15 8.330 8.330 7.811 0.519 18010 1423 1 7 . 1 1 6 6 GLU N N 16 121.480 121.480 119.241 2.239 18010 1424 1 7 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.075 0.085 18010 1425 1 7 . 1 1 6 6 GLU C C 16 177.740 177.740 178.461 -0.721 18010 1426 1 7 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.283 -1.543 18010 1427 1 7 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.443 0.517 18010 1428 1 7 . 1 1 6 6 GLU H H 16 8.350 8.350 8.018 0.332 18010 1429 1 7 . 1 1 7 7 ALA N N 17 124.390 124.390 122.017 2.373 18010 1430 1 7 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.139 0.051 18010 1431 1 7 . 1 1 7 7 ALA C C 17 178.580 178.580 179.683 -1.103 18010 1432 1 7 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.902 -1.272 18010 1433 1 7 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.239 0.631 18010 1434 1 7 . 1 1 7 7 ALA H H 17 8.230 8.230 8.241 -0.011 18010 1435 1 7 . 1 1 8 8 LYS N N 18 119.380 119.380 118.891 0.489 18010 1436 1 7 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.997 0.013 18010 1437 1 7 . 1 1 8 8 LYS C C 18 177.960 177.960 179.306 -1.346 18010 1438 1 7 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.809 -1.749 18010 1439 1 7 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.313 0.427 18010 1440 1 7 . 1 1 8 8 LYS H H 18 8.070 8.070 7.668 0.402 18010 1441 1 7 . 1 1 9 9 GLN N N 19 120.230 120.230 118.734 1.496 18010 1442 1 7 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.104 0.126 18010 1443 1 7 . 1 1 9 9 GLN C C 19 176.550 176.550 178.563 -2.013 18010 1444 1 7 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.711 -1.521 18010 1445 1 7 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.658 0.162 18010 1446 1 7 . 1 1 9 9 GLN H H 19 8.140 8.140 7.776 0.364 18010 1447 1 7 . 1 1 10 10 ALA N N 20 123.740 123.740 123.132 0.608 18010 1448 1 7 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.142 0.058 18010 1449 1 7 . 1 1 10 10 ALA C C 20 178.730 178.730 179.114 -0.384 18010 1450 1 7 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.783 -0.963 18010 1451 1 7 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.567 0.274 18010 1452 1 7 . 1 1 10 10 ALA H H 20 8.180 8.180 7.967 0.213 18010 1453 1 7 . 1 1 11 11 PHE N N 21 118.790 118.790 119.643 -0.853 18010 1454 1 7 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.149 0.251 18010 1455 1 7 . 1 1 11 11 PHE C C 21 176.380 176.380 177.114 -0.734 18010 1456 1 7 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.425 -2.305 18010 1457 1 7 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.358 -0.038 18010 1458 1 7 . 1 1 11 11 PHE H H 21 8.180 8.180 8.057 0.123 18010 1459 1 7 . 1 1 12 12 LYS N N 22 120.470 120.470 119.504 0.966 18010 1460 1 7 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.838 0.172 18010 1461 1 7 . 1 1 12 12 LYS C C 22 177.950 177.950 178.436 -0.486 18010 1462 1 7 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.755 -1.035 18010 1463 1 7 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.215 0.555 18010 1464 1 7 . 1 1 12 12 LYS H H 22 7.980 7.980 7.878 0.102 18010 1465 1 7 . 1 1 13 13 GLU N N 23 120.060 120.060 119.996 0.064 18010 1466 1 7 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.045 0.135 18010 1467 1 7 . 1 1 13 13 GLU C C 23 178.170 178.170 178.921 -0.751 18010 1468 1 7 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.379 -2.539 18010 1469 1 7 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.540 -0.049 18010 1470 1 7 . 1 1 13 13 GLU H H 23 8.140 8.140 7.680 0.460 18010 1471 1 7 . 1 1 14 14 LEU N N 24 122.360 122.360 119.906 2.454 18010 1472 1 7 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.935 0.465 18010 1473 1 7 . 1 1 14 14 LEU C C 24 178.260 178.260 179.129 -0.869 18010 1474 1 7 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.748 -0.908 18010 1475 1 7 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.751 0.340 18010 1476 1 7 . 1 1 14 14 LEU H H 24 8.030 8.030 7.774 0.256 18010 1477 1 7 . 1 1 15 15 LEU N N 25 120.260 120.260 119.249 1.011 18010 1478 1 7 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.796 0.264 18010 1479 1 7 . 1 1 15 15 LEU C C 25 177.990 177.990 178.778 -0.788 18010 1480 1 7 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.683 -1.143 18010 1481 1 7 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.404 0.516 18010 1482 1 7 . 1 1 15 15 LEU H H 25 7.990 7.990 7.475 0.515 18010 1483 1 7 . 1 1 16 16 LYS N N 26 120.680 120.680 119.501 1.179 18010 1484 1 7 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.943 0.257 18010 1485 1 7 . 1 1 16 16 LYS C C 26 177.940 177.940 178.443 -0.503 18010 1486 1 7 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.321 -1.711 18010 1487 1 7 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.604 0.196 18010 1488 1 7 . 1 1 16 16 LYS H H 26 7.890 7.890 7.917 -0.027 18010 1489 1 7 . 1 1 17 17 GLU N N 27 120.470 120.470 117.783 2.687 18010 1490 1 7 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.173 0.007 18010 1491 1 7 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.096 -1.086 18010 1492 1 7 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.079 -1.149 18010 1493 1 7 . 1 1 17 17 GLU H H 27 8.170 8.170 7.834 0.336 18010 1494 1 7 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.036 0.214 18010 1495 1 7 . 1 1 19 19 ARG C C 29 175.920 175.920 176.490 -0.570 18010 1496 1 7 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.321 -1.381 18010 1497 1 7 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.247 -0.066 18010 1498 1 7 . 1 1 20 20 VAL N N 30 121.110 121.110 118.220 2.890 18010 1499 1 7 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.813 0.517 18010 1500 1 7 . 1 1 20 20 VAL CA C 30 59.660 59.660 62.140 -2.480 18010 1501 1 7 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.299 2.482 18010 1502 1 7 . 1 1 20 20 VAL H H 30 7.990 7.990 8.053 -0.063 18010 1503 1 7 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.450 -0.030 18010 1504 1 7 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.318 -0.618 18010 1505 1 7 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.459 -0.069 18010 1506 1 7 . 1 1 22 22 SER N N 32 116.500 116.500 118.563 -2.063 18010 1507 1 7 . 1 1 22 22 SER HA H 32 4.310 4.310 4.141 0.169 18010 1508 1 7 . 1 1 22 22 SER C C 32 174.600 174.600 175.255 -0.655 18010 1509 1 7 . 1 1 22 22 SER CA C 32 59.370 59.370 61.056 -1.687 18010 1510 1 7 . 1 1 22 22 SER CB C 32 63.870 63.870 63.182 0.688 18010 1511 1 7 . 1 1 22 22 SER H H 32 8.530 8.530 8.674 -0.144 18010 1512 1 7 . 1 1 23 23 ASN N N 33 119.050 119.050 120.193 -1.143 18010 1513 1 7 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.619 0.101 18010 1514 1 7 . 1 1 23 23 ASN C C 33 175.220 175.220 175.908 -0.688 18010 1515 1 7 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.977 -1.026 18010 1516 1 7 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.121 0.179 18010 1517 1 7 . 1 1 23 23 ASN H H 33 8.310 8.310 8.368 -0.058 18010 1518 1 7 . 1 1 24 24 ALA N N 34 123.610 123.610 122.163 1.447 18010 1519 1 7 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.318 -0.018 18010 1520 1 7 . 1 1 24 24 ALA C C 34 178.100 178.100 176.646 1.454 18010 1521 1 7 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.870 0.150 18010 1522 1 7 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.607 -0.347 18010 1523 1 7 . 1 1 24 24 ALA H H 34 7.960 7.960 7.594 0.366 18010 1524 1 7 . 1 1 25 25 SER N N 35 116.140 116.140 111.598 4.542 18010 1525 1 7 . 1 1 25 25 SER HA H 35 4.490 4.490 4.561 -0.071 18010 1526 1 7 . 1 1 25 25 SER C C 35 175.380 175.380 174.324 1.056 18010 1527 1 7 . 1 1 25 25 SER CA C 35 58.290 58.290 56.565 1.725 18010 1528 1 7 . 1 1 25 25 SER CB C 35 64.100 64.100 65.342 -1.242 18010 1529 1 7 . 1 1 25 25 SER H H 35 8.350 8.350 7.855 0.495 18010 1530 1 7 . 1 1 26 26 TRP N N 36 123.670 123.670 124.407 -0.737 18010 1531 1 7 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.449 -0.139 18010 1532 1 7 . 1 1 26 26 TRP C C 36 177.060 177.060 177.279 -0.219 18010 1533 1 7 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.464 -1.274 18010 1534 1 7 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.564 -0.844 18010 1535 1 7 . 1 1 26 26 TRP H H 36 8.570 8.570 9.046 -0.476 18010 1536 1 7 . 1 1 27 27 GLU N N 37 119.050 119.050 117.756 1.294 18010 1537 1 7 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.829 -0.089 18010 1538 1 7 . 1 1 27 27 GLU C C 37 178.570 178.570 178.705 -0.135 18010 1539 1 7 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.834 -0.374 18010 1540 1 7 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.300 0.000 18010 1541 1 7 . 1 1 27 27 GLU H H 37 8.320 8.320 8.664 -0.344 18010 1542 1 7 . 1 1 28 28 GLN N N 38 118.900 118.900 119.076 -0.176 18010 1543 1 7 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.012 -0.032 18010 1544 1 7 . 1 1 28 28 GLN C C 38 177.940 177.940 178.431 -0.491 18010 1545 1 7 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.427 -1.797 18010 1546 1 7 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.702 1.718 18010 1547 1 7 . 1 1 28 28 GLN H H 38 7.790 7.790 7.560 0.230 18010 1548 1 7 . 1 1 29 29 ALA N N 39 122.810 122.810 122.467 0.343 18010 1549 1 7 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.983 -0.003 18010 1550 1 7 . 1 1 29 29 ALA C C 39 179.110 179.110 179.022 0.088 18010 1551 1 7 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.660 -0.100 18010 1552 1 7 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.299 0.281 18010 1553 1 7 . 1 1 29 29 ALA H H 39 8.170 8.170 8.444 -0.274 18010 1554 1 7 . 1 1 30 30 MET N N 40 116.270 116.270 117.397 -1.127 18010 1555 1 7 . 1 1 30 30 MET HA H 40 4.070 4.070 3.753 0.317 18010 1556 1 7 . 1 1 30 30 MET C C 40 177.710 177.710 178.016 -0.306 18010 1557 1 7 . 1 1 30 30 MET CA C 40 56.930 56.930 58.618 -1.688 18010 1558 1 7 . 1 1 30 30 MET CB C 40 32.000 32.000 32.290 -0.290 18010 1559 1 7 . 1 1 30 30 MET H H 40 8.150 8.150 7.889 0.261 18010 1560 1 7 . 1 1 31 31 LYS N N 41 118.730 118.730 118.519 0.211 18010 1561 1 7 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.896 0.064 18010 1562 1 7 . 1 1 31 31 LYS C C 41 177.860 177.860 178.930 -1.070 18010 1563 1 7 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.217 -0.637 18010 1564 1 7 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.139 0.301 18010 1565 1 7 . 1 1 31 31 LYS H H 41 7.620 7.620 7.482 0.138 18010 1566 1 7 . 1 1 32 32 MET N N 42 117.330 117.330 118.436 -1.106 18010 1567 1 7 . 1 1 32 32 MET HA H 42 4.260 4.260 4.044 0.216 18010 1568 1 7 . 1 1 32 32 MET C C 42 177.460 177.460 178.527 -1.067 18010 1569 1 7 . 1 1 32 32 MET CA C 42 57.230 57.230 59.340 -2.110 18010 1570 1 7 . 1 1 32 32 MET CB C 42 32.850 32.850 32.697 0.153 18010 1571 1 7 . 1 1 32 32 MET H H 42 7.680 7.680 7.557 0.123 18010 1572 1 7 . 1 1 33 33 ILE N N 43 118.210 118.210 115.646 2.564 18010 1573 1 7 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.695 0.355 18010 1574 1 7 . 1 1 33 33 ILE C C 43 176.780 176.780 176.615 0.165 18010 1575 1 7 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.854 -1.024 18010 1576 1 7 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.275 1.425 18010 1577 1 7 . 1 1 33 33 ILE H H 43 7.740 7.740 7.265 0.475 18010 1578 1 7 . 1 1 34 34 ILE N N 44 119.000 119.000 118.638 0.362 18010 1579 1 7 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.319 0.791 18010 1580 1 7 . 1 1 34 34 ILE C C 44 175.920 175.920 177.196 -1.276 18010 1581 1 7 . 1 1 34 34 ILE CA C 44 62.680 62.680 63.952 -1.272 18010 1582 1 7 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.974 0.936 18010 1583 1 7 . 1 1 34 34 ILE H H 44 7.770 7.770 7.095 0.675 18010 1584 1 7 . 1 1 35 35 ASN N N 45 118.210 118.210 116.336 1.874 18010 1585 1 7 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.522 0.198 18010 1586 1 7 . 1 1 35 35 ASN C C 45 174.600 174.600 175.683 -1.083 18010 1587 1 7 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.571 -1.341 18010 1588 1 7 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.514 0.576 18010 1589 1 7 . 1 1 35 35 ASN H H 45 7.870 7.870 7.592 0.278 18010 1590 1 7 . 1 1 36 36 ASP N N 46 123.510 123.510 121.275 2.235 18010 1591 1 7 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.623 0.307 18010 1592 1 7 . 1 1 36 36 ASP C C 46 175.630 175.630 176.055 -0.425 18010 1593 1 7 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.033 -2.063 18010 1594 1 7 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.513 1.617 18010 1595 1 7 . 1 1 36 36 ASP H H 46 7.920 7.920 7.409 0.511 18010 1596 1 7 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.185 0.265 18010 1597 1 7 . 1 1 37 37 PRO C C 47 178.100 178.100 178.668 -0.568 18010 1598 1 7 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.221 -1.131 18010 1599 1 7 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.876 0.164 18010 1600 1 7 . 1 1 38 38 ARG N N 48 118.490 118.490 117.677 0.813 18010 1601 1 7 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.119 -0.029 18010 1602 1 7 . 1 1 38 38 ARG C C 48 177.700 177.700 178.802 -1.102 18010 1603 1 7 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.079 -1.269 18010 1604 1 7 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.832 0.328 18010 1605 1 7 . 1 1 38 38 ARG H H 48 8.780 8.780 8.364 0.416 18010 1606 1 7 . 1 1 39 39 TYR N N 49 118.350 118.350 120.794 -2.444 18010 1607 1 7 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.254 0.276 18010 1608 1 7 . 1 1 39 39 TYR C C 49 176.550 176.550 176.737 -0.187 18010 1609 1 7 . 1 1 39 39 TYR CA C 49 58.950 58.950 60.112 -1.162 18010 1610 1 7 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.107 0.883 18010 1611 1 7 . 1 1 39 39 TYR H H 49 7.900 7.900 8.391 -0.491 18010 1612 1 7 . 1 1 40 40 SER N N 50 115.790 115.790 115.839 -0.049 18010 1613 1 7 . 1 1 40 40 SER HA H 50 4.230 4.230 3.967 0.263 18010 1614 1 7 . 1 1 40 40 SER C C 50 175.570 175.570 176.009 -0.439 18010 1615 1 7 . 1 1 40 40 SER CA C 50 60.080 60.080 61.987 -1.907 18010 1616 1 7 . 1 1 40 40 SER CB C 50 63.230 63.230 62.883 0.347 18010 1617 1 7 . 1 1 40 40 SER H H 50 7.930 7.930 7.938 -0.008 18010 1618 1 7 . 1 1 41 41 ALA HA H 51 4.230 4.230 3.977 0.253 18010 1619 1 7 . 1 1 41 41 ALA C C 51 178.570 178.570 179.254 -0.684 18010 1620 1 7 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.876 -0.996 18010 1621 1 7 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.347 0.493 18010 1622 1 7 . 1 1 41 41 ALA H H 51 8.180 8.180 7.542 0.638 18010 1623 1 7 . 1 1 42 42 LEU N N 52 118.900 118.900 119.005 -0.105 18010 1624 1 7 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.844 0.326 18010 1625 1 7 . 1 1 42 42 LEU C C 52 178.140 178.140 178.847 -0.707 18010 1626 1 7 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.248 -1.088 18010 1627 1 7 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.478 0.592 18010 1628 1 7 . 1 1 42 42 LEU H H 52 7.790 7.790 7.479 0.311 18010 1629 1 7 . 1 1 43 43 ALA N N 53 122.850 122.850 120.652 2.198 18010 1630 1 7 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.906 0.204 18010 1631 1 7 . 1 1 43 43 ALA C C 53 178.490 178.490 178.967 -0.477 18010 1632 1 7 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.139 -0.549 18010 1633 1 7 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.661 0.179 18010 1634 1 7 . 1 1 43 43 ALA H H 53 7.990 7.990 7.479 0.511 18010 1635 1 7 . 1 1 44 44 LYS N N 54 118.370 118.370 117.918 0.452 18010 1636 1 7 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.069 0.161 18010 1637 1 7 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.816 -0.846 18010 1638 1 7 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.827 -0.227 18010 1639 1 7 . 1 1 44 44 LYS H H 54 7.850 7.850 7.483 0.367 18010 1640 1 7 . 1 1 45 45 LEU N N 55 121.540 121.540 117.155 4.385 18010 1641 1 7 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.829 0.451 18010 1642 1 7 . 1 1 45 45 LEU C C 55 177.790 177.790 174.881 2.909 18010 1643 1 7 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.792 0.258 18010 1644 1 7 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.802 1.418 18010 1645 1 7 . 1 1 45 45 LEU H H 55 7.920 7.920 8.055 -0.135 18010 1646 1 8 . 1 1 4 4 LYS N N 14 123.250 123.250 121.780 1.470 18010 1647 1 8 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.029 0.151 18010 1648 1 8 . 1 1 4 4 LYS C C 14 177.770 177.770 176.868 0.902 18010 1649 1 8 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.755 0.865 18010 1650 1 8 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.069 1.511 18010 1651 1 8 . 1 1 4 4 LYS H H 14 8.480 8.480 8.691 -0.211 18010 1652 1 8 . 1 1 5 5 GLU N N 15 121.270 121.270 118.803 2.467 18010 1653 1 8 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.975 0.235 18010 1654 1 8 . 1 1 5 5 GLU C C 15 177.390 177.390 177.858 -0.468 18010 1655 1 8 . 1 1 5 5 GLU CA C 15 57.740 57.740 58.795 -1.055 18010 1656 1 8 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.766 0.194 18010 1657 1 8 . 1 1 5 5 GLU H H 15 8.330 8.330 8.398 -0.068 18010 1658 1 8 . 1 1 6 6 GLU N N 16 121.480 121.480 121.878 -0.398 18010 1659 1 8 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.100 0.060 18010 1660 1 8 . 1 1 6 6 GLU C C 16 177.740 177.740 178.610 -0.870 18010 1661 1 8 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.032 -1.292 18010 1662 1 8 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.239 0.720 18010 1663 1 8 . 1 1 6 6 GLU H H 16 8.350 8.350 8.719 -0.368 18010 1664 1 8 . 1 1 7 7 ALA N N 17 124.390 124.390 122.363 2.027 18010 1665 1 8 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.161 0.029 18010 1666 1 8 . 1 1 7 7 ALA C C 17 178.580 178.580 179.573 -0.993 18010 1667 1 8 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.869 -1.239 18010 1668 1 8 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.218 0.652 18010 1669 1 8 . 1 1 7 7 ALA H H 17 8.230 8.230 8.193 0.037 18010 1670 1 8 . 1 1 8 8 LYS N N 18 119.380 119.380 118.850 0.530 18010 1671 1 8 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.979 0.031 18010 1672 1 8 . 1 1 8 8 LYS C C 18 177.960 177.960 179.308 -1.348 18010 1673 1 8 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.772 -1.712 18010 1674 1 8 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.291 0.450 18010 1675 1 8 . 1 1 8 8 LYS H H 18 8.070 8.070 7.597 0.473 18010 1676 1 8 . 1 1 9 9 GLN N N 19 120.230 120.230 118.420 1.810 18010 1677 1 8 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.077 0.153 18010 1678 1 8 . 1 1 9 9 GLN C C 19 176.550 176.550 178.356 -1.806 18010 1679 1 8 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.928 -1.738 18010 1680 1 8 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.636 0.184 18010 1681 1 8 . 1 1 9 9 GLN H H 19 8.140 8.140 7.702 0.438 18010 1682 1 8 . 1 1 10 10 ALA N N 20 123.740 123.740 122.766 0.974 18010 1683 1 8 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.110 0.090 18010 1684 1 8 . 1 1 10 10 ALA C C 20 178.730 178.730 179.350 -0.620 18010 1685 1 8 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.969 -1.149 18010 1686 1 8 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.197 0.643 18010 1687 1 8 . 1 1 10 10 ALA H H 20 8.180 8.180 7.832 0.348 18010 1688 1 8 . 1 1 11 11 PHE N N 21 118.790 118.790 119.197 -0.407 18010 1689 1 8 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.137 0.263 18010 1690 1 8 . 1 1 11 11 PHE C C 21 176.380 176.380 177.257 -0.877 18010 1691 1 8 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.654 -2.534 18010 1692 1 8 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.262 0.058 18010 1693 1 8 . 1 1 11 11 PHE H H 21 8.180 8.180 7.992 0.188 18010 1694 1 8 . 1 1 12 12 LYS N N 22 120.470 120.470 118.555 1.915 18010 1695 1 8 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.870 0.140 18010 1696 1 8 . 1 1 12 12 LYS C C 22 177.950 177.950 179.124 -1.174 18010 1697 1 8 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.954 -1.234 18010 1698 1 8 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.215 0.555 18010 1699 1 8 . 1 1 12 12 LYS H H 22 7.980 7.980 7.655 0.325 18010 1700 1 8 . 1 1 13 13 GLU N N 23 120.060 120.060 119.531 0.529 18010 1701 1 8 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.075 0.105 18010 1702 1 8 . 1 1 13 13 GLU C C 23 178.170 178.170 179.079 -0.909 18010 1703 1 8 . 1 1 13 13 GLU CA C 23 56.840 56.840 58.855 -2.015 18010 1704 1 8 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.355 0.135 18010 1705 1 8 . 1 1 13 13 GLU H H 23 8.140 8.140 7.731 0.409 18010 1706 1 8 . 1 1 14 14 LEU N N 24 122.360 122.360 120.710 1.650 18010 1707 1 8 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.003 0.397 18010 1708 1 8 . 1 1 14 14 LEU C C 24 178.260 178.260 179.245 -0.985 18010 1709 1 8 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.836 -0.996 18010 1710 1 8 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.741 0.349 18010 1711 1 8 . 1 1 14 14 LEU H H 24 8.030 8.030 8.362 -0.332 18010 1712 1 8 . 1 1 15 15 LEU N N 25 120.260 120.260 117.804 2.456 18010 1713 1 8 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.768 0.292 18010 1714 1 8 . 1 1 15 15 LEU C C 25 177.990 177.990 178.120 -0.130 18010 1715 1 8 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.491 -0.951 18010 1716 1 8 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.491 0.429 18010 1717 1 8 . 1 1 15 15 LEU H H 25 7.990 7.990 7.582 0.408 18010 1718 1 8 . 1 1 16 16 LYS N N 26 120.680 120.680 116.218 4.462 18010 1719 1 8 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.966 0.234 18010 1720 1 8 . 1 1 16 16 LYS C C 26 177.940 177.940 178.669 -0.729 18010 1721 1 8 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.837 -1.227 18010 1722 1 8 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.640 0.160 18010 1723 1 8 . 1 1 16 16 LYS H H 26 7.890 7.890 7.448 0.442 18010 1724 1 8 . 1 1 17 17 GLU N N 27 120.470 120.470 117.535 2.935 18010 1725 1 8 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.136 0.044 18010 1726 1 8 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.041 -1.031 18010 1727 1 8 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.148 -1.218 18010 1728 1 8 . 1 1 17 17 GLU H H 27 8.170 8.170 7.851 0.320 18010 1729 1 8 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.199 0.051 18010 1730 1 8 . 1 1 19 19 ARG C C 29 175.920 175.920 175.824 0.096 18010 1731 1 8 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.381 -0.441 18010 1732 1 8 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.867 -0.687 18010 1733 1 8 . 1 1 20 20 VAL N N 30 121.110 121.110 123.223 -2.113 18010 1734 1 8 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.327 0.003 18010 1735 1 8 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.801 -0.141 18010 1736 1 8 . 1 1 20 20 VAL CB C 30 32.780 32.780 32.914 -0.134 18010 1737 1 8 . 1 1 20 20 VAL H H 30 7.990 7.990 8.249 -0.259 18010 1738 1 8 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.408 0.012 18010 1739 1 8 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.038 -0.338 18010 1740 1 8 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.361 0.029 18010 1741 1 8 . 1 1 22 22 SER N N 32 116.500 116.500 117.789 -1.289 18010 1742 1 8 . 1 1 22 22 SER HA H 32 4.310 4.310 4.026 0.284 18010 1743 1 8 . 1 1 22 22 SER C C 32 174.600 174.600 175.226 -0.626 18010 1744 1 8 . 1 1 22 22 SER CA C 32 59.370 59.370 61.024 -1.654 18010 1745 1 8 . 1 1 22 22 SER CB C 32 63.870 63.870 63.196 0.674 18010 1746 1 8 . 1 1 22 22 SER H H 32 8.530 8.530 8.577 -0.047 18010 1747 1 8 . 1 1 23 23 ASN N N 33 119.050 119.050 119.996 -0.946 18010 1748 1 8 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.604 0.116 18010 1749 1 8 . 1 1 23 23 ASN C C 33 175.220 175.220 175.400 -0.180 18010 1750 1 8 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.675 -0.725 18010 1751 1 8 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.138 0.162 18010 1752 1 8 . 1 1 23 23 ASN H H 33 8.310 8.310 8.258 0.052 18010 1753 1 8 . 1 1 24 24 ALA N N 34 123.610 123.610 121.806 1.804 18010 1754 1 8 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.445 -0.145 18010 1755 1 8 . 1 1 24 24 ALA C C 34 178.100 178.100 176.566 1.534 18010 1756 1 8 . 1 1 24 24 ALA CA C 34 53.020 53.020 51.962 1.058 18010 1757 1 8 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.007 -0.747 18010 1758 1 8 . 1 1 24 24 ALA H H 34 7.960 7.960 7.473 0.487 18010 1759 1 8 . 1 1 25 25 SER N N 35 116.140 116.140 118.192 -2.052 18010 1760 1 8 . 1 1 25 25 SER HA H 35 4.490 4.490 4.562 -0.072 18010 1761 1 8 . 1 1 25 25 SER C C 35 175.380 175.380 175.394 -0.014 18010 1762 1 8 . 1 1 25 25 SER CA C 35 58.290 58.290 56.772 1.518 18010 1763 1 8 . 1 1 25 25 SER CB C 35 64.100 64.100 64.770 -0.670 18010 1764 1 8 . 1 1 25 25 SER H H 35 8.350 8.350 7.996 0.354 18010 1765 1 8 . 1 1 26 26 TRP N N 36 123.670 123.670 121.510 2.160 18010 1766 1 8 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.445 -0.135 18010 1767 1 8 . 1 1 26 26 TRP C C 36 177.060 177.060 178.773 -1.713 18010 1768 1 8 . 1 1 26 26 TRP CA C 36 59.190 59.190 61.087 -1.897 18010 1769 1 8 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.658 -0.938 18010 1770 1 8 . 1 1 26 26 TRP H H 36 8.570 8.570 8.674 -0.104 18010 1771 1 8 . 1 1 27 27 GLU N N 37 119.050 119.050 118.762 0.288 18010 1772 1 8 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.039 -0.299 18010 1773 1 8 . 1 1 27 27 GLU C C 37 178.570 178.570 179.237 -0.667 18010 1774 1 8 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.654 -0.194 18010 1775 1 8 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.339 -0.039 18010 1776 1 8 . 1 1 27 27 GLU H H 37 8.320 8.320 8.070 0.250 18010 1777 1 8 . 1 1 28 28 GLN N N 38 118.900 118.900 118.954 -0.054 18010 1778 1 8 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.095 -0.115 18010 1779 1 8 . 1 1 28 28 GLN C C 38 177.940 177.940 178.462 -0.522 18010 1780 1 8 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.453 -1.823 18010 1781 1 8 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010 1782 1 8 . 1 1 28 28 GLN H H 38 7.790 7.790 7.744 0.046 18010 1783 1 8 . 1 1 29 29 ALA N N 39 122.810 122.810 123.040 -0.230 18010 1784 1 8 . 1 1 29 29 ALA HA H 39 3.980 3.980 3.945 0.035 18010 1785 1 8 . 1 1 29 29 ALA C C 39 179.110 179.110 179.408 -0.298 18010 1786 1 8 . 1 1 29 29 ALA CA C 39 54.560 54.560 55.178 -0.618 18010 1787 1 8 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.315 0.265 18010 1788 1 8 . 1 1 29 29 ALA H H 39 8.170 8.170 8.369 -0.199 18010 1789 1 8 . 1 1 30 30 MET N N 40 116.270 116.270 117.296 -1.026 18010 1790 1 8 . 1 1 30 30 MET HA H 40 4.070 4.070 4.102 -0.032 18010 1791 1 8 . 1 1 30 30 MET C C 40 177.710 177.710 178.418 -0.708 18010 1792 1 8 . 1 1 30 30 MET CA C 40 56.930 56.930 59.153 -2.223 18010 1793 1 8 . 1 1 30 30 MET CB C 40 32.000 32.000 32.671 -0.671 18010 1794 1 8 . 1 1 30 30 MET H H 40 8.150 8.150 8.181 -0.031 18010 1795 1 8 . 1 1 31 31 LYS N N 41 118.730 118.730 120.398 -1.668 18010 1796 1 8 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.985 -0.025 18010 1797 1 8 . 1 1 31 31 LYS C C 41 177.860 177.860 179.113 -1.253 18010 1798 1 8 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.344 -0.764 18010 1799 1 8 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.392 0.048 18010 1800 1 8 . 1 1 31 31 LYS H H 41 7.620 7.620 7.607 0.013 18010 1801 1 8 . 1 1 32 32 MET N N 42 117.330 117.330 117.761 -0.431 18010 1802 1 8 . 1 1 32 32 MET HA H 42 4.260 4.260 4.152 0.108 18010 1803 1 8 . 1 1 32 32 MET C C 42 177.460 177.460 178.765 -1.305 18010 1804 1 8 . 1 1 32 32 MET CA C 42 57.230 57.230 58.105 -0.875 18010 1805 1 8 . 1 1 32 32 MET CB C 42 32.850 32.850 32.209 0.641 18010 1806 1 8 . 1 1 32 32 MET H H 42 7.680 7.680 7.958 -0.278 18010 1807 1 8 . 1 1 33 33 ILE N N 43 118.210 118.210 115.296 2.914 18010 1808 1 8 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.798 0.252 18010 1809 1 8 . 1 1 33 33 ILE C C 43 176.780 176.780 177.887 -1.107 18010 1810 1 8 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.877 -1.047 18010 1811 1 8 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.317 1.383 18010 1812 1 8 . 1 1 33 33 ILE H H 43 7.740 7.740 7.434 0.306 18010 1813 1 8 . 1 1 34 34 ILE N N 44 119.000 119.000 119.917 -0.917 18010 1814 1 8 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.258 0.852 18010 1815 1 8 . 1 1 34 34 ILE C C 44 175.920 175.920 177.241 -1.321 18010 1816 1 8 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.538 -1.858 18010 1817 1 8 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.831 1.079 18010 1818 1 8 . 1 1 34 34 ILE H H 44 7.770 7.770 7.421 0.349 18010 1819 1 8 . 1 1 35 35 ASN N N 45 118.210 118.210 116.912 1.298 18010 1820 1 8 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.479 0.241 18010 1821 1 8 . 1 1 35 35 ASN C C 45 174.600 174.600 175.523 -0.923 18010 1822 1 8 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.639 -1.409 18010 1823 1 8 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.730 0.360 18010 1824 1 8 . 1 1 35 35 ASN H H 45 7.870 7.870 7.648 0.222 18010 1825 1 8 . 1 1 36 36 ASP N N 46 123.510 123.510 121.594 1.916 18010 1826 1 8 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.645 0.285 18010 1827 1 8 . 1 1 36 36 ASP C C 46 175.630 175.630 176.180 -0.550 18010 1828 1 8 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.112 -1.142 18010 1829 1 8 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.294 1.837 18010 1830 1 8 . 1 1 36 36 ASP H H 46 7.920 7.920 7.522 0.398 18010 1831 1 8 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.181 0.269 18010 1832 1 8 . 1 1 37 37 PRO C C 47 178.100 178.100 178.422 -0.322 18010 1833 1 8 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.340 -1.250 18010 1834 1 8 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.895 0.145 18010 1835 1 8 . 1 1 38 38 ARG N N 48 118.490 118.490 117.320 1.170 18010 1836 1 8 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.058 0.032 18010 1837 1 8 . 1 1 38 38 ARG C C 48 177.700 177.700 178.624 -0.924 18010 1838 1 8 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.089 -1.279 18010 1839 1 8 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.022 0.138 18010 1840 1 8 . 1 1 38 38 ARG H H 48 8.780 8.780 7.923 0.857 18010 1841 1 8 . 1 1 39 39 TYR N N 49 118.350 118.350 120.770 -2.420 18010 1842 1 8 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.188 0.342 18010 1843 1 8 . 1 1 39 39 TYR C C 49 176.550 176.550 177.424 -0.874 18010 1844 1 8 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.648 -2.698 18010 1845 1 8 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.192 0.798 18010 1846 1 8 . 1 1 39 39 TYR H H 49 7.900 7.900 8.628 -0.728 18010 1847 1 8 . 1 1 40 40 SER N N 50 115.790 115.790 114.886 0.904 18010 1848 1 8 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010 1849 1 8 . 1 1 40 40 SER C C 50 175.570 175.570 176.452 -0.882 18010 1850 1 8 . 1 1 40 40 SER CA C 50 60.080 60.080 61.466 -1.386 18010 1851 1 8 . 1 1 40 40 SER CB C 50 63.230 63.230 62.620 0.610 18010 1852 1 8 . 1 1 40 40 SER H H 50 7.930 7.930 7.834 0.096 18010 1853 1 8 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.087 0.143 18010 1854 1 8 . 1 1 41 41 ALA C C 51 178.570 178.570 179.361 -0.791 18010 1855 1 8 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.737 -0.857 18010 1856 1 8 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.167 0.673 18010 1857 1 8 . 1 1 41 41 ALA H H 51 8.180 8.180 7.441 0.739 18010 1858 1 8 . 1 1 42 42 LEU N N 52 118.900 118.900 119.337 -0.437 18010 1859 1 8 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.941 0.229 18010 1860 1 8 . 1 1 42 42 LEU C C 52 178.140 178.140 177.507 0.633 18010 1861 1 8 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.553 -1.393 18010 1862 1 8 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.760 0.311 18010 1863 1 8 . 1 1 42 42 LEU H H 52 7.790 7.790 7.722 0.068 18010 1864 1 8 . 1 1 43 43 ALA N N 53 122.850 122.850 119.654 3.196 18010 1865 1 8 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.912 0.198 18010 1866 1 8 . 1 1 43 43 ALA C C 53 178.490 178.490 178.569 -0.079 18010 1867 1 8 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.248 -0.658 18010 1868 1 8 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.794 0.046 18010 1869 1 8 . 1 1 43 43 ALA H H 53 7.990 7.990 7.498 0.492 18010 1870 1 8 . 1 1 44 44 LYS N N 54 118.370 118.370 116.813 1.557 18010 1871 1 8 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.089 0.141 18010 1872 1 8 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.076 -0.106 18010 1873 1 8 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.913 -0.313 18010 1874 1 8 . 1 1 44 44 LYS H H 54 7.850 7.850 7.357 0.493 18010 1875 1 8 . 1 1 45 45 LEU N N 55 121.540 121.540 120.155 1.385 18010 1876 1 8 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.986 0.294 18010 1877 1 8 . 1 1 45 45 LEU C C 55 177.790 177.790 175.217 2.573 18010 1878 1 8 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.869 0.181 18010 1879 1 8 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.738 0.482 18010 1880 1 8 . 1 1 45 45 LEU H H 55 7.920 7.920 7.700 0.220 18010 1881 1 9 . 1 1 4 4 LYS N N 14 123.250 123.250 122.379 0.871 18010 1882 1 9 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.471 -0.291 18010 1883 1 9 . 1 1 4 4 LYS C C 14 177.770 177.770 177.276 0.494 18010 1884 1 9 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.623 0.997 18010 1885 1 9 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.288 0.292 18010 1886 1 9 . 1 1 4 4 LYS H H 14 8.480 8.480 8.538 -0.058 18010 1887 1 9 . 1 1 5 5 GLU N N 15 121.270 121.270 121.176 0.094 18010 1888 1 9 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.024 0.186 18010 1889 1 9 . 1 1 5 5 GLU C C 15 177.390 177.390 177.963 -0.573 18010 1890 1 9 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.417 -1.677 18010 1891 1 9 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.334 0.625 18010 1892 1 9 . 1 1 5 5 GLU H H 15 8.330 8.330 8.688 -0.358 18010 1893 1 9 . 1 1 6 6 GLU N N 16 121.480 121.480 119.968 1.512 18010 1894 1 9 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.043 0.117 18010 1895 1 9 . 1 1 6 6 GLU C C 16 177.740 177.740 177.994 -0.254 18010 1896 1 9 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.245 -1.505 18010 1897 1 9 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.493 0.467 18010 1898 1 9 . 1 1 6 6 GLU H H 16 8.350 8.350 8.266 0.084 18010 1899 1 9 . 1 1 7 7 ALA N N 17 124.390 124.390 121.346 3.044 18010 1900 1 9 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.116 0.074 18010 1901 1 9 . 1 1 7 7 ALA C C 17 178.580 178.580 179.866 -1.286 18010 1902 1 9 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.931 -1.301 18010 1903 1 9 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.363 0.507 18010 1904 1 9 . 1 1 7 7 ALA H H 17 8.230 8.230 8.324 -0.094 18010 1905 1 9 . 1 1 8 8 LYS N N 18 119.380 119.380 118.599 0.781 18010 1906 1 9 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.168 -0.158 18010 1907 1 9 . 1 1 8 8 LYS C C 18 177.960 177.960 179.488 -1.528 18010 1908 1 9 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.642 -1.581 18010 1909 1 9 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.380 0.360 18010 1910 1 9 . 1 1 8 8 LYS H H 18 8.070 8.070 7.654 0.416 18010 1911 1 9 . 1 1 9 9 GLN N N 19 120.230 120.230 118.215 2.015 18010 1912 1 9 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.118 0.112 18010 1913 1 9 . 1 1 9 9 GLN C C 19 176.550 176.550 178.137 -1.587 18010 1914 1 9 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.585 -1.395 18010 1915 1 9 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.534 0.286 18010 1916 1 9 . 1 1 9 9 GLN H H 19 8.140 8.140 8.029 0.111 18010 1917 1 9 . 1 1 10 10 ALA N N 20 123.740 123.740 122.269 1.471 18010 1918 1 9 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.057 0.143 18010 1919 1 9 . 1 1 10 10 ALA C C 20 178.730 178.730 179.551 -0.821 18010 1920 1 9 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.839 -1.019 18010 1921 1 9 . 1 1 10 10 ALA CB C 20 18.840 18.840 17.799 1.041 18010 1922 1 9 . 1 1 10 10 ALA H H 20 8.180 8.180 7.548 0.632 18010 1923 1 9 . 1 1 11 11 PHE N N 21 118.790 118.790 117.255 1.535 18010 1924 1 9 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.159 0.241 18010 1925 1 9 . 1 1 11 11 PHE C C 21 176.380 176.380 177.856 -1.476 18010 1926 1 9 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.976 -2.856 18010 1927 1 9 . 1 1 11 11 PHE CB C 21 39.320 39.320 38.732 0.588 18010 1928 1 9 . 1 1 11 11 PHE H H 21 8.180 8.180 7.724 0.456 18010 1929 1 9 . 1 1 12 12 LYS N N 22 120.470 120.470 119.455 1.015 18010 1930 1 9 . 1 1 12 12 LYS HA H 22 4.010 4.010 4.020 -0.010 18010 1931 1 9 . 1 1 12 12 LYS C C 22 177.950 177.950 179.167 -1.217 18010 1932 1 9 . 1 1 12 12 LYS CA C 22 58.720 58.720 60.009 -1.289 18010 1933 1 9 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.127 0.643 18010 1934 1 9 . 1 1 12 12 LYS H H 22 7.980 7.980 7.501 0.479 18010 1935 1 9 . 1 1 13 13 GLU N N 23 120.060 120.060 119.258 0.802 18010 1936 1 9 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.088 0.092 18010 1937 1 9 . 1 1 13 13 GLU C C 23 178.170 178.170 179.001 -0.831 18010 1938 1 9 . 1 1 13 13 GLU CA C 23 56.840 56.840 58.922 -2.082 18010 1939 1 9 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.363 0.127 18010 1940 1 9 . 1 1 13 13 GLU H H 23 8.140 8.140 8.217 -0.077 18010 1941 1 9 . 1 1 14 14 LEU N N 24 122.360 122.360 120.492 1.868 18010 1942 1 9 . 1 1 14 14 LEU HA H 24 4.400 4.400 3.925 0.475 18010 1943 1 9 . 1 1 14 14 LEU C C 24 178.260 178.260 179.115 -0.855 18010 1944 1 9 . 1 1 14 14 LEU CA C 24 56.840 56.840 58.056 -1.216 18010 1945 1 9 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.684 0.405 18010 1946 1 9 . 1 1 14 14 LEU H H 24 8.030 8.030 7.903 0.127 18010 1947 1 9 . 1 1 15 15 LEU N N 25 120.260 120.260 118.292 1.968 18010 1948 1 9 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.971 0.089 18010 1949 1 9 . 1 1 15 15 LEU C C 25 177.990 177.990 178.327 -0.337 18010 1950 1 9 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.759 -1.219 18010 1951 1 9 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.759 0.161 18010 1952 1 9 . 1 1 15 15 LEU H H 25 7.990 7.990 7.990 -0.000 18010 1953 1 9 . 1 1 16 16 LYS N N 26 120.680 120.680 116.256 4.424 18010 1954 1 9 . 1 1 16 16 LYS HA H 26 4.200 4.200 4.050 0.150 18010 1955 1 9 . 1 1 16 16 LYS C C 26 177.940 177.940 178.610 -0.670 18010 1956 1 9 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.908 -1.298 18010 1957 1 9 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.682 0.118 18010 1958 1 9 . 1 1 16 16 LYS H H 26 7.890 7.890 7.767 0.123 18010 1959 1 9 . 1 1 17 17 GLU N N 27 120.470 120.470 118.074 2.396 18010 1960 1 9 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.216 -0.036 18010 1961 1 9 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.055 -1.045 18010 1962 1 9 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.178 -1.248 18010 1963 1 9 . 1 1 17 17 GLU H H 27 8.170 8.170 7.975 0.195 18010 1964 1 9 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.250 0.000 18010 1965 1 9 . 1 1 19 19 ARG C C 29 175.920 175.920 175.360 0.560 18010 1966 1 9 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.289 -0.349 18010 1967 1 9 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.879 -0.699 18010 1968 1 9 . 1 1 20 20 VAL N N 30 121.110 121.110 123.174 -2.064 18010 1969 1 9 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.442 -0.112 18010 1970 1 9 . 1 1 20 20 VAL CA C 30 59.660 59.660 59.461 0.199 18010 1971 1 9 . 1 1 20 20 VAL CB C 30 32.780 32.780 31.892 0.888 18010 1972 1 9 . 1 1 20 20 VAL H H 30 7.990 7.990 8.331 -0.341 18010 1973 1 9 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.536 -0.116 18010 1974 1 9 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.083 -0.383 18010 1975 1 9 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.381 0.009 18010 1976 1 9 . 1 1 22 22 SER N N 32 116.500 116.500 118.410 -1.910 18010 1977 1 9 . 1 1 22 22 SER HA H 32 4.310 4.310 3.987 0.323 18010 1978 1 9 . 1 1 22 22 SER C C 32 174.600 174.600 175.273 -0.673 18010 1979 1 9 . 1 1 22 22 SER CA C 32 59.370 59.370 60.911 -1.542 18010 1980 1 9 . 1 1 22 22 SER CB C 32 63.870 63.870 63.218 0.652 18010 1981 1 9 . 1 1 22 22 SER H H 32 8.530 8.530 8.558 -0.028 18010 1982 1 9 . 1 1 23 23 ASN N N 33 119.050 119.050 119.818 -0.768 18010 1983 1 9 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.586 0.134 18010 1984 1 9 . 1 1 23 23 ASN C C 33 175.220 175.220 175.936 -0.716 18010 1985 1 9 . 1 1 23 23 ASN CA C 33 52.950 52.950 54.213 -1.263 18010 1986 1 9 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.947 0.353 18010 1987 1 9 . 1 1 23 23 ASN H H 33 8.310 8.310 8.229 0.081 18010 1988 1 9 . 1 1 24 24 ALA N N 34 123.610 123.610 121.491 2.119 18010 1989 1 9 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.156 0.144 18010 1990 1 9 . 1 1 24 24 ALA C C 34 178.100 178.100 176.346 1.754 18010 1991 1 9 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.829 0.191 18010 1992 1 9 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.625 -0.365 18010 1993 1 9 . 1 1 24 24 ALA H H 34 7.960 7.960 7.326 0.634 18010 1994 1 9 . 1 1 25 25 SER N N 35 116.140 116.140 111.478 4.662 18010 1995 1 9 . 1 1 25 25 SER HA H 35 4.490 4.490 4.190 0.300 18010 1996 1 9 . 1 1 25 25 SER C C 35 175.380 175.380 174.312 1.068 18010 1997 1 9 . 1 1 25 25 SER CA C 35 58.290 58.290 56.985 1.305 18010 1998 1 9 . 1 1 25 25 SER CB C 35 64.100 64.100 64.967 -0.867 18010 1999 1 9 . 1 1 25 25 SER H H 35 8.350 8.350 7.845 0.505 18010 2000 1 9 . 1 1 26 26 TRP N N 36 123.670 123.670 123.827 -0.157 18010 2001 1 9 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.481 -0.171 18010 2002 1 9 . 1 1 26 26 TRP C C 36 177.060 177.060 178.419 -1.359 18010 2003 1 9 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.214 -1.024 18010 2004 1 9 . 1 1 26 26 TRP CB C 36 28.720 28.720 28.980 -0.260 18010 2005 1 9 . 1 1 26 26 TRP H H 36 8.570 8.570 8.742 -0.172 18010 2006 1 9 . 1 1 27 27 GLU N N 37 119.050 119.050 118.356 0.694 18010 2007 1 9 . 1 1 27 27 GLU HA H 37 3.740 3.740 4.040 -0.300 18010 2008 1 9 . 1 1 27 27 GLU C C 37 178.570 178.570 178.959 -0.389 18010 2009 1 9 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.882 -0.422 18010 2010 1 9 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.101 0.199 18010 2011 1 9 . 1 1 27 27 GLU H H 37 8.320 8.320 8.793 -0.473 18010 2012 1 9 . 1 1 28 28 GLN N N 38 118.900 118.900 118.967 -0.067 18010 2013 1 9 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.075 -0.095 18010 2014 1 9 . 1 1 28 28 GLN C C 38 177.940 177.940 178.496 -0.556 18010 2015 1 9 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.467 -1.837 18010 2016 1 9 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.696 1.724 18010 2017 1 9 . 1 1 28 28 GLN H H 38 7.790 7.790 7.567 0.223 18010 2018 1 9 . 1 1 29 29 ALA N N 39 122.810 122.810 123.056 -0.246 18010 2019 1 9 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.104 -0.124 18010 2020 1 9 . 1 1 29 29 ALA C C 39 179.110 179.110 179.566 -0.456 18010 2021 1 9 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.956 -0.396 18010 2022 1 9 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.594 -0.014 18010 2023 1 9 . 1 1 29 29 ALA H H 39 8.170 8.170 8.299 -0.129 18010 2024 1 9 . 1 1 30 30 MET N N 40 116.270 116.270 117.064 -0.794 18010 2025 1 9 . 1 1 30 30 MET HA H 40 4.070 4.070 4.115 -0.045 18010 2026 1 9 . 1 1 30 30 MET C C 40 177.710 177.710 178.708 -0.998 18010 2027 1 9 . 1 1 30 30 MET CA C 40 56.930 56.930 57.752 -0.821 18010 2028 1 9 . 1 1 30 30 MET CB C 40 32.000 32.000 31.821 0.179 18010 2029 1 9 . 1 1 30 30 MET H H 40 8.150 8.150 8.367 -0.217 18010 2030 1 9 . 1 1 31 31 LYS N N 41 118.730 118.730 119.004 -0.274 18010 2031 1 9 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.972 -0.012 18010 2032 1 9 . 1 1 31 31 LYS C C 41 177.860 177.860 179.171 -1.311 18010 2033 1 9 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.423 -0.843 18010 2034 1 9 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.166 0.274 18010 2035 1 9 . 1 1 31 31 LYS H H 41 7.620 7.620 7.633 -0.013 18010 2036 1 9 . 1 1 32 32 MET N N 42 117.330 117.330 118.477 -1.147 18010 2037 1 9 . 1 1 32 32 MET HA H 42 4.260 4.260 4.095 0.165 18010 2038 1 9 . 1 1 32 32 MET C C 42 177.460 177.460 178.620 -1.160 18010 2039 1 9 . 1 1 32 32 MET CA C 42 57.230 57.230 59.412 -2.182 18010 2040 1 9 . 1 1 32 32 MET CB C 42 32.850 32.850 32.775 0.075 18010 2041 1 9 . 1 1 32 32 MET H H 42 7.680 7.680 7.723 -0.043 18010 2042 1 9 . 1 1 33 33 ILE N N 43 118.210 118.210 115.883 2.327 18010 2043 1 9 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.768 0.282 18010 2044 1 9 . 1 1 33 33 ILE C C 43 176.780 176.780 176.751 0.029 18010 2045 1 9 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.958 -1.128 18010 2046 1 9 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.402 1.298 18010 2047 1 9 . 1 1 33 33 ILE H H 43 7.740 7.740 7.399 0.341 18010 2048 1 9 . 1 1 34 34 ILE N N 44 119.000 119.000 118.968 0.032 18010 2049 1 9 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.252 0.858 18010 2050 1 9 . 1 1 34 34 ILE C C 44 175.920 175.920 177.370 -1.450 18010 2051 1 9 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.147 -1.467 18010 2052 1 9 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.960 0.950 18010 2053 1 9 . 1 1 34 34 ILE H H 44 7.770 7.770 7.238 0.532 18010 2054 1 9 . 1 1 35 35 ASN N N 45 118.210 118.210 116.023 2.187 18010 2055 1 9 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.540 0.180 18010 2056 1 9 . 1 1 35 35 ASN C C 45 174.600 174.600 175.514 -0.914 18010 2057 1 9 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.649 -1.419 18010 2058 1 9 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.561 0.529 18010 2059 1 9 . 1 1 35 35 ASN H H 45 7.870 7.870 7.618 0.252 18010 2060 1 9 . 1 1 36 36 ASP N N 46 123.510 123.510 121.477 2.033 18010 2061 1 9 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.633 0.297 18010 2062 1 9 . 1 1 36 36 ASP C C 46 175.630 175.630 176.349 -0.719 18010 2063 1 9 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.011 -1.041 18010 2064 1 9 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.487 1.643 18010 2065 1 9 . 1 1 36 36 ASP H H 46 7.920 7.920 7.400 0.520 18010 2066 1 9 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.177 0.273 18010 2067 1 9 . 1 1 37 37 PRO C C 47 178.100 178.100 178.547 -0.447 18010 2068 1 9 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.156 -1.066 18010 2069 1 9 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.974 0.066 18010 2070 1 9 . 1 1 38 38 ARG N N 48 118.490 118.490 117.355 1.135 18010 2071 1 9 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.034 0.056 18010 2072 1 9 . 1 1 38 38 ARG C C 48 177.700 177.700 178.518 -0.818 18010 2073 1 9 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.352 -1.542 18010 2074 1 9 . 1 1 38 38 ARG CB C 48 30.160 30.160 30.066 0.094 18010 2075 1 9 . 1 1 38 38 ARG H H 48 8.780 8.780 8.659 0.121 18010 2076 1 9 . 1 1 39 39 TYR N N 49 118.350 118.350 121.013 -2.663 18010 2077 1 9 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.148 0.382 18010 2078 1 9 . 1 1 39 39 TYR C C 49 176.550 176.550 177.174 -0.624 18010 2079 1 9 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.746 -2.796 18010 2080 1 9 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.085 0.905 18010 2081 1 9 . 1 1 39 39 TYR H H 49 7.900 7.900 8.399 -0.499 18010 2082 1 9 . 1 1 40 40 SER N N 50 115.790 115.790 115.129 0.661 18010 2083 1 9 . 1 1 40 40 SER HA H 50 4.230 4.230 3.906 0.324 18010 2084 1 9 . 1 1 40 40 SER C C 50 175.570 175.570 176.414 -0.844 18010 2085 1 9 . 1 1 40 40 SER CA C 50 60.080 60.080 61.545 -1.465 18010 2086 1 9 . 1 1 40 40 SER CB C 50 63.230 63.230 62.755 0.475 18010 2087 1 9 . 1 1 40 40 SER H H 50 7.930 7.930 7.930 0.000 18010 2088 1 9 . 1 1 41 41 ALA HA H 51 4.230 4.230 3.984 0.246 18010 2089 1 9 . 1 1 41 41 ALA C C 51 178.570 178.570 178.977 -0.407 18010 2090 1 9 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.835 -0.955 18010 2091 1 9 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.448 0.392 18010 2092 1 9 . 1 1 41 41 ALA H H 51 8.180 8.180 7.453 0.727 18010 2093 1 9 . 1 1 42 42 LEU N N 52 118.900 118.900 119.232 -0.332 18010 2094 1 9 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.870 0.300 18010 2095 1 9 . 1 1 42 42 LEU C C 52 178.140 178.140 177.535 0.605 18010 2096 1 9 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.507 -1.347 18010 2097 1 9 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.741 0.329 18010 2098 1 9 . 1 1 42 42 LEU H H 52 7.790 7.790 7.724 0.066 18010 2099 1 9 . 1 1 43 43 ALA N N 53 122.850 122.850 119.791 3.059 18010 2100 1 9 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.959 0.151 18010 2101 1 9 . 1 1 43 43 ALA C C 53 178.490 178.490 179.115 -0.625 18010 2102 1 9 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.034 -0.444 18010 2103 1 9 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.713 0.127 18010 2104 1 9 . 1 1 43 43 ALA H H 53 7.990 7.990 7.505 0.485 18010 2105 1 9 . 1 1 44 44 LYS N N 54 118.370 118.370 116.881 1.489 18010 2106 1 9 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.066 0.164 18010 2107 1 9 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.379 -0.409 18010 2108 1 9 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.826 -0.226 18010 2109 1 9 . 1 1 44 44 LYS H H 54 7.850 7.850 7.461 0.389 18010 2110 1 9 . 1 1 45 45 LEU N N 55 121.540 121.540 119.625 1.915 18010 2111 1 9 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.954 0.326 18010 2112 1 9 . 1 1 45 45 LEU C C 55 177.790 177.790 176.482 1.308 18010 2113 1 9 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.020 0.030 18010 2114 1 9 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.993 0.227 18010 2115 1 9 . 1 1 45 45 LEU H H 55 7.920 7.920 7.912 0.008 18010 2116 1 10 . 1 1 4 4 LYS N N 14 123.250 123.250 123.482 -0.232 18010 2117 1 10 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.529 -0.349 18010 2118 1 10 . 1 1 4 4 LYS C C 14 177.770 177.770 176.330 1.440 18010 2119 1 10 . 1 1 4 4 LYS CA C 14 57.620 57.620 55.949 1.671 18010 2120 1 10 . 1 1 4 4 LYS CB C 14 32.580 32.580 32.302 0.278 18010 2121 1 10 . 1 1 4 4 LYS H H 14 8.480 8.480 8.570 -0.090 18010 2122 1 10 . 1 1 5 5 GLU N N 15 121.270 121.270 123.256 -1.986 18010 2123 1 10 . 1 1 5 5 GLU HA H 15 4.210 4.210 3.986 0.224 18010 2124 1 10 . 1 1 5 5 GLU C C 15 177.390 177.390 177.915 -0.525 18010 2125 1 10 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.688 -1.948 18010 2126 1 10 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.814 0.146 18010 2127 1 10 . 1 1 5 5 GLU H H 15 8.330 8.330 8.502 -0.172 18010 2128 1 10 . 1 1 6 6 GLU N N 16 121.480 121.480 119.967 1.513 18010 2129 1 10 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.077 0.083 18010 2130 1 10 . 1 1 6 6 GLU C C 16 177.740 177.740 178.621 -0.881 18010 2131 1 10 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.235 -1.495 18010 2132 1 10 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.326 0.634 18010 2133 1 10 . 1 1 6 6 GLU H H 16 8.350 8.350 8.734 -0.384 18010 2134 1 10 . 1 1 7 7 ALA N N 17 124.390 124.390 122.434 1.956 18010 2135 1 10 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.148 0.042 18010 2136 1 10 . 1 1 7 7 ALA C C 17 178.580 178.580 179.576 -0.996 18010 2137 1 10 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.857 -1.227 18010 2138 1 10 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.228 0.642 18010 2139 1 10 . 1 1 7 7 ALA H H 17 8.230 8.230 8.185 0.045 18010 2140 1 10 . 1 1 8 8 LYS N N 18 119.380 119.380 118.752 0.628 18010 2141 1 10 . 1 1 8 8 LYS HA H 18 4.010 4.010 3.976 0.034 18010 2142 1 10 . 1 1 8 8 LYS C C 18 177.960 177.960 178.802 -0.842 18010 2143 1 10 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.746 -1.686 18010 2144 1 10 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.298 0.442 18010 2145 1 10 . 1 1 8 8 LYS H H 18 8.070 8.070 7.650 0.420 18010 2146 1 10 . 1 1 9 9 GLN N N 19 120.230 120.230 119.298 0.932 18010 2147 1 10 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.095 0.135 18010 2148 1 10 . 1 1 9 9 GLN C C 19 176.550 176.550 178.205 -1.655 18010 2149 1 10 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.853 -1.663 18010 2150 1 10 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.699 0.121 18010 2151 1 10 . 1 1 9 9 GLN H H 19 8.140 8.140 7.783 0.357 18010 2152 1 10 . 1 1 10 10 ALA N N 20 123.740 123.740 122.518 1.222 18010 2153 1 10 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.087 0.113 18010 2154 1 10 . 1 1 10 10 ALA C C 20 178.730 178.730 179.271 -0.541 18010 2155 1 10 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.861 -1.042 18010 2156 1 10 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.323 0.517 18010 2157 1 10 . 1 1 10 10 ALA H H 20 8.180 8.180 7.809 0.371 18010 2158 1 10 . 1 1 11 11 PHE N N 21 118.790 118.790 119.126 -0.336 18010 2159 1 10 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.133 0.267 18010 2160 1 10 . 1 1 11 11 PHE C C 21 176.380 176.380 177.263 -0.883 18010 2161 1 10 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.427 -2.307 18010 2162 1 10 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.263 0.057 18010 2163 1 10 . 1 1 11 11 PHE H H 21 8.180 8.180 7.960 0.220 18010 2164 1 10 . 1 1 12 12 LYS N N 22 120.470 120.470 118.548 1.922 18010 2165 1 10 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.791 0.219 18010 2166 1 10 . 1 1 12 12 LYS C C 22 177.950 177.950 178.705 -0.755 18010 2167 1 10 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.860 -1.140 18010 2168 1 10 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.178 0.592 18010 2169 1 10 . 1 1 12 12 LYS H H 22 7.980 7.980 7.840 0.140 18010 2170 1 10 . 1 1 13 13 GLU N N 23 120.060 120.060 120.202 -0.142 18010 2171 1 10 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.046 0.134 18010 2172 1 10 . 1 1 13 13 GLU C C 23 178.170 178.170 178.839 -0.669 18010 2173 1 10 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.198 -2.358 18010 2174 1 10 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.727 -0.237 18010 2175 1 10 . 1 1 13 13 GLU H H 23 8.140 8.140 7.758 0.382 18010 2176 1 10 . 1 1 14 14 LEU N N 24 122.360 122.360 121.693 0.667 18010 2177 1 10 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.037 0.363 18010 2178 1 10 . 1 1 14 14 LEU C C 24 178.260 178.260 178.524 -0.264 18010 2179 1 10 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.688 -0.848 18010 2180 1 10 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.795 0.295 18010 2181 1 10 . 1 1 14 14 LEU H H 24 8.030 8.030 8.017 0.013 18010 2182 1 10 . 1 1 15 15 LEU N N 25 120.260 120.260 118.926 1.334 18010 2183 1 10 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.751 0.309 18010 2184 1 10 . 1 1 15 15 LEU C C 25 177.990 177.990 178.769 -0.779 18010 2185 1 10 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.548 -1.008 18010 2186 1 10 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.449 0.471 18010 2187 1 10 . 1 1 15 15 LEU H H 25 7.990 7.990 7.521 0.469 18010 2188 1 10 . 1 1 16 16 LYS N N 26 120.680 120.680 117.950 2.730 18010 2189 1 10 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.950 0.250 18010 2190 1 10 . 1 1 16 16 LYS C C 26 177.940 177.940 178.125 -0.185 18010 2191 1 10 . 1 1 16 16 LYS CA C 26 57.610 57.610 59.122 -1.512 18010 2192 1 10 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.488 0.312 18010 2193 1 10 . 1 1 16 16 LYS H H 26 7.890 7.890 7.665 0.225 18010 2194 1 10 . 1 1 17 17 GLU N N 27 120.470 120.470 118.152 2.318 18010 2195 1 10 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.110 0.070 18010 2196 1 10 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.211 -1.201 18010 2197 1 10 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.121 -1.191 18010 2198 1 10 . 1 1 17 17 GLU H H 27 8.170 8.170 7.728 0.442 18010 2199 1 10 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.077 0.173 18010 2200 1 10 . 1 1 19 19 ARG C C 29 175.920 175.920 176.577 -0.657 18010 2201 1 10 . 1 1 19 19 ARG CA C 29 55.940 55.940 57.415 -1.475 18010 2202 1 10 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.353 -0.173 18010 2203 1 10 . 1 1 20 20 VAL N N 30 121.110 121.110 116.807 4.303 18010 2204 1 10 . 1 1 20 20 VAL HA H 30 4.330 4.330 3.794 0.536 18010 2205 1 10 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.797 -2.138 18010 2206 1 10 . 1 1 20 20 VAL CB C 30 32.780 32.780 30.052 2.728 18010 2207 1 10 . 1 1 20 20 VAL H H 30 7.990 7.990 8.149 -0.159 18010 2208 1 10 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.354 0.066 18010 2209 1 10 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.491 -0.791 18010 2210 1 10 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.224 0.166 18010 2211 1 10 . 1 1 22 22 SER N N 32 116.500 116.500 117.957 -1.457 18010 2212 1 10 . 1 1 22 22 SER HA H 32 4.310 4.310 4.156 0.154 18010 2213 1 10 . 1 1 22 22 SER C C 32 174.600 174.600 174.591 0.009 18010 2214 1 10 . 1 1 22 22 SER CA C 32 59.370 59.370 58.603 0.767 18010 2215 1 10 . 1 1 22 22 SER CB C 32 63.870 63.870 64.213 -0.343 18010 2216 1 10 . 1 1 22 22 SER H H 32 8.530 8.530 7.977 0.553 18010 2217 1 10 . 1 1 23 23 ASN N N 33 119.050 119.050 116.835 2.215 18010 2218 1 10 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.392 0.328 18010 2219 1 10 . 1 1 23 23 ASN C C 33 175.220 175.220 174.032 1.188 18010 2220 1 10 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.388 -0.438 18010 2221 1 10 . 1 1 23 23 ASN CB C 33 38.300 38.300 37.667 0.633 18010 2222 1 10 . 1 1 23 23 ASN H H 33 8.310 8.310 8.741 -0.431 18010 2223 1 10 . 1 1 24 24 ALA N N 34 123.610 123.610 122.729 0.881 18010 2224 1 10 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.334 -0.034 18010 2225 1 10 . 1 1 24 24 ALA C C 34 178.100 178.100 176.623 1.477 18010 2226 1 10 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.677 0.343 18010 2227 1 10 . 1 1 24 24 ALA CB C 34 19.260 19.260 20.251 -0.991 18010 2228 1 10 . 1 1 24 24 ALA H H 34 7.960 7.960 8.012 -0.052 18010 2229 1 10 . 1 1 25 25 SER N N 35 116.140 116.140 112.697 3.443 18010 2230 1 10 . 1 1 25 25 SER HA H 35 4.490 4.490 4.573 -0.083 18010 2231 1 10 . 1 1 25 25 SER C C 35 175.380 175.380 173.917 1.463 18010 2232 1 10 . 1 1 25 25 SER CA C 35 58.290 58.290 57.051 1.239 18010 2233 1 10 . 1 1 25 25 SER CB C 35 64.100 64.100 63.990 0.110 18010 2234 1 10 . 1 1 25 25 SER H H 35 8.350 8.350 7.801 0.549 18010 2235 1 10 . 1 1 26 26 TRP N N 36 123.670 123.670 128.521 -4.851 18010 2236 1 10 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.368 -0.058 18010 2237 1 10 . 1 1 26 26 TRP C C 36 177.060 177.060 177.677 -0.617 18010 2238 1 10 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.264 -1.074 18010 2239 1 10 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.721 -1.001 18010 2240 1 10 . 1 1 26 26 TRP H H 36 8.570 8.570 8.979 -0.409 18010 2241 1 10 . 1 1 27 27 GLU N N 37 119.050 119.050 119.408 -0.358 18010 2242 1 10 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.970 -0.230 18010 2243 1 10 . 1 1 27 27 GLU C C 37 178.570 178.570 178.696 -0.126 18010 2244 1 10 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.483 -0.023 18010 2245 1 10 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.284 0.016 18010 2246 1 10 . 1 1 27 27 GLU H H 37 8.320 8.320 8.494 -0.174 18010 2247 1 10 . 1 1 28 28 GLN N N 38 118.900 118.900 118.802 0.098 18010 2248 1 10 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.066 -0.086 18010 2249 1 10 . 1 1 28 28 GLN C C 38 177.940 177.940 178.528 -0.588 18010 2250 1 10 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.371 -1.741 18010 2251 1 10 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.736 1.684 18010 2252 1 10 . 1 1 28 28 GLN H H 38 7.790 7.790 7.557 0.233 18010 2253 1 10 . 1 1 29 29 ALA N N 39 122.810 122.810 122.541 0.269 18010 2254 1 10 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.070 -0.090 18010 2255 1 10 . 1 1 29 29 ALA C C 39 179.110 179.110 179.558 -0.448 18010 2256 1 10 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.847 -0.287 18010 2257 1 10 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.447 0.133 18010 2258 1 10 . 1 1 29 29 ALA H H 39 8.170 8.170 8.038 0.132 18010 2259 1 10 . 1 1 30 30 MET N N 40 116.270 116.270 117.475 -1.205 18010 2260 1 10 . 1 1 30 30 MET HA H 40 4.070 4.070 4.159 -0.089 18010 2261 1 10 . 1 1 30 30 MET C C 40 177.710 177.710 178.462 -0.752 18010 2262 1 10 . 1 1 30 30 MET CA C 40 56.930 56.930 59.271 -2.341 18010 2263 1 10 . 1 1 30 30 MET CB C 40 32.000 32.000 32.665 -0.665 18010 2264 1 10 . 1 1 30 30 MET H H 40 8.150 8.150 8.466 -0.316 18010 2265 1 10 . 1 1 31 31 LYS N N 41 118.730 118.730 120.325 -1.595 18010 2266 1 10 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.969 -0.009 18010 2267 1 10 . 1 1 31 31 LYS C C 41 177.860 177.860 178.965 -1.105 18010 2268 1 10 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.321 -0.741 18010 2269 1 10 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.306 0.134 18010 2270 1 10 . 1 1 31 31 LYS H H 41 7.620 7.620 7.594 0.026 18010 2271 1 10 . 1 1 32 32 MET N N 42 117.330 117.330 117.984 -0.654 18010 2272 1 10 . 1 1 32 32 MET HA H 42 4.260 4.260 4.101 0.159 18010 2273 1 10 . 1 1 32 32 MET C C 42 177.460 177.460 179.039 -1.579 18010 2274 1 10 . 1 1 32 32 MET CA C 42 57.230 57.230 59.193 -1.963 18010 2275 1 10 . 1 1 32 32 MET CB C 42 32.850 32.850 32.864 -0.014 18010 2276 1 10 . 1 1 32 32 MET H H 42 7.680 7.680 7.802 -0.122 18010 2277 1 10 . 1 1 33 33 ILE N N 43 118.210 118.210 116.320 1.890 18010 2278 1 10 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.824 0.226 18010 2279 1 10 . 1 1 33 33 ILE C C 43 176.780 176.780 177.240 -0.460 18010 2280 1 10 . 1 1 33 33 ILE CA C 43 62.830 62.830 64.153 -1.323 18010 2281 1 10 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.493 1.207 18010 2282 1 10 . 1 1 33 33 ILE H H 43 7.740 7.740 7.552 0.188 18010 2283 1 10 . 1 1 34 34 ILE N N 44 119.000 119.000 119.300 -0.300 18010 2284 1 10 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.072 1.038 18010 2285 1 10 . 1 1 34 34 ILE C C 44 175.920 175.920 176.970 -1.050 18010 2286 1 10 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.481 -1.802 18010 2287 1 10 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.581 1.329 18010 2288 1 10 . 1 1 34 34 ILE H H 44 7.770 7.770 7.430 0.340 18010 2289 1 10 . 1 1 35 35 ASN N N 45 118.210 118.210 116.955 1.255 18010 2290 1 10 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.430 0.290 18010 2291 1 10 . 1 1 35 35 ASN C C 45 174.600 174.600 175.411 -0.811 18010 2292 1 10 . 1 1 35 35 ASN CA C 45 53.230 53.230 55.024 -1.794 18010 2293 1 10 . 1 1 35 35 ASN CB C 45 39.090 39.090 39.176 -0.086 18010 2294 1 10 . 1 1 35 35 ASN H H 45 7.870 7.870 7.606 0.264 18010 2295 1 10 . 1 1 36 36 ASP N N 46 123.510 123.510 122.023 1.487 18010 2296 1 10 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.651 0.279 18010 2297 1 10 . 1 1 36 36 ASP C C 46 175.630 175.630 175.819 -0.189 18010 2298 1 10 . 1 1 36 36 ASP CA C 46 51.970 51.970 54.841 -2.871 18010 2299 1 10 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.525 1.605 18010 2300 1 10 . 1 1 36 36 ASP H H 46 7.920 7.920 7.498 0.422 18010 2301 1 10 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.208 0.242 18010 2302 1 10 . 1 1 37 37 PRO C C 47 178.100 178.100 178.274 -0.174 18010 2303 1 10 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.227 -1.137 18010 2304 1 10 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.866 0.173 18010 2305 1 10 . 1 1 38 38 ARG N N 48 118.490 118.490 117.513 0.977 18010 2306 1 10 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.046 0.044 18010 2307 1 10 . 1 1 38 38 ARG C C 48 177.700 177.700 178.558 -0.858 18010 2308 1 10 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.327 -1.517 18010 2309 1 10 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.916 0.244 18010 2310 1 10 . 1 1 38 38 ARG H H 48 8.780 8.780 8.214 0.566 18010 2311 1 10 . 1 1 39 39 TYR N N 49 118.350 118.350 120.938 -2.588 18010 2312 1 10 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.170 0.360 18010 2313 1 10 . 1 1 39 39 TYR C C 49 176.550 176.550 177.225 -0.675 18010 2314 1 10 . 1 1 39 39 TYR CA C 49 58.950 58.950 62.101 -3.151 18010 2315 1 10 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.244 0.746 18010 2316 1 10 . 1 1 39 39 TYR H H 49 7.900 7.900 8.715 -0.815 18010 2317 1 10 . 1 1 40 40 SER N N 50 115.790 115.790 115.427 0.363 18010 2318 1 10 . 1 1 40 40 SER HA H 50 4.230 4.230 3.971 0.259 18010 2319 1 10 . 1 1 40 40 SER C C 50 175.570 175.570 176.405 -0.835 18010 2320 1 10 . 1 1 40 40 SER CA C 50 60.080 60.080 62.273 -2.193 18010 2321 1 10 . 1 1 40 40 SER CB C 50 63.230 63.230 62.662 0.568 18010 2322 1 10 . 1 1 40 40 SER H H 50 7.930 7.930 7.883 0.047 18010 2323 1 10 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.108 0.122 18010 2324 1 10 . 1 1 41 41 ALA C C 51 178.570 178.570 179.358 -0.788 18010 2325 1 10 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.626 -0.746 18010 2326 1 10 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.555 0.285 18010 2327 1 10 . 1 1 41 41 ALA H H 51 8.180 8.180 7.444 0.736 18010 2328 1 10 . 1 1 42 42 LEU N N 52 118.900 118.900 119.182 -0.282 18010 2329 1 10 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.896 0.274 18010 2330 1 10 . 1 1 42 42 LEU C C 52 178.140 178.140 178.983 -0.843 18010 2331 1 10 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.502 -1.342 18010 2332 1 10 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.664 0.406 18010 2333 1 10 . 1 1 42 42 LEU H H 52 7.790 7.790 8.127 -0.337 18010 2334 1 10 . 1 1 43 43 ALA N N 53 122.850 122.850 121.063 1.787 18010 2335 1 10 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.964 0.146 18010 2336 1 10 . 1 1 43 43 ALA C C 53 178.490 178.490 178.756 -0.266 18010 2337 1 10 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.371 -0.781 18010 2338 1 10 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.776 0.064 18010 2339 1 10 . 1 1 43 43 ALA H H 53 7.990 7.990 7.672 0.318 18010 2340 1 10 . 1 1 44 44 LYS N N 54 118.370 118.370 116.773 1.597 18010 2341 1 10 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.255 -0.025 18010 2342 1 10 . 1 1 44 44 LYS CA C 54 56.970 56.970 56.400 0.570 18010 2343 1 10 . 1 1 44 44 LYS CB C 54 32.600 32.600 33.035 -0.435 18010 2344 1 10 . 1 1 44 44 LYS H H 54 7.850 7.850 7.462 0.388 18010 2345 1 10 . 1 1 45 45 LEU N N 55 121.540 121.540 117.923 3.617 18010 2346 1 10 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.866 0.414 18010 2347 1 10 . 1 1 45 45 LEU C C 55 177.790 177.790 175.146 2.644 18010 2348 1 10 . 1 1 45 45 LEU CA C 55 56.050 56.050 55.876 0.174 18010 2349 1 10 . 1 1 45 45 LEU CB C 55 42.220 42.220 40.864 1.356 18010 2350 1 10 . 1 1 45 45 LEU H H 55 7.920 7.920 8.049 -0.129 18010 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 37 1.908 -0.936 1.686 18010 2 1 1 "Average Difference" HA 41 0.263 -0.158 0.213 18010 3 1 1 "Average Difference" C 37 0.951 0.512 0.812 18010 4 1 1 "Average Difference" CA 41 1.382 1.176 0.734 18010 5 1 1 "Average Difference" CB 41 0.696 -0.303 0.634 18010 6 1 1 "Average Difference" HN 38 0.353 -0.139 0.329 18010 7 1 2 "Average Difference" N 37 1.964 -0.871 1.785 18010 8 1 2 "Average Difference" HA 41 0.268 -0.167 0.211 18010 9 1 2 "Average Difference" C 37 0.837 0.560 0.630 18010 10 1 2 "Average Difference" CA 41 1.446 1.218 0.789 18010 11 1 2 "Average Difference" CB 41 0.792 -0.387 0.699 18010 12 1 2 "Average Difference" HN 38 0.370 -0.137 0.348 18010 13 1 3 "Average Difference" N 37 1.742 -0.930 1.494 18010 14 1 3 "Average Difference" HA 41 0.258 -0.156 0.209 18010 15 1 3 "Average Difference" C 37 0.943 0.498 0.812 18010 16 1 3 "Average Difference" CA 41 1.456 1.205 0.826 18010 17 1 3 "Average Difference" CB 41 0.803 -0.405 0.702 18010 18 1 3 "Average Difference" HN 38 0.367 -0.153 0.338 18010 19 1 4 "Average Difference" N 37 2.095 -0.818 1.955 18010 20 1 4 "Average Difference" HA 41 0.243 -0.142 0.200 18010 21 1 4 "Average Difference" C 37 0.952 0.445 0.853 18010 22 1 4 "Average Difference" CA 41 1.379 1.085 0.862 18010 23 1 4 "Average Difference" CB 41 0.827 -0.366 0.751 18010 24 1 4 "Average Difference" HN 38 0.379 -0.151 0.353 18010 25 1 5 "Average Difference" N 37 2.047 -0.857 1.885 18010 26 1 5 "Average Difference" HA 41 0.264 -0.137 0.229 18010 27 1 5 "Average Difference" C 37 0.950 0.594 0.751 18010 28 1 5 "Average Difference" CA 41 1.307 1.049 0.788 18010 29 1 5 "Average Difference" CB 41 0.719 -0.369 0.624 18010 30 1 5 "Average Difference" HN 38 0.338 -0.124 0.319 18010 31 1 6 "Average Difference" N 37 1.823 -0.802 1.660 18010 32 1 6 "Average Difference" HA 41 0.258 -0.159 0.206 18010 33 1 6 "Average Difference" C 37 0.920 0.559 0.741 18010 34 1 6 "Average Difference" CA 41 1.494 1.208 0.890 18010 35 1 6 "Average Difference" CB 41 0.814 -0.346 0.747 18010 36 1 6 "Average Difference" HN 38 0.329 -0.131 0.306 18010 37 1 7 "Average Difference" N 37 1.799 -0.887 1.587 18010 38 1 7 "Average Difference" HA 41 0.253 -0.172 0.188 18010 39 1 7 "Average Difference" C 37 0.958 0.439 0.863 18010 40 1 7 "Average Difference" CA 41 1.406 1.122 0.858 18010 41 1 7 "Average Difference" CB 41 0.784 -0.363 0.704 18010 42 1 7 "Average Difference" HN 38 0.354 -0.190 0.302 18010 43 1 8 "Average Difference" N 37 1.795 -0.741 1.657 18010 44 1 8 "Average Difference" HA 41 0.232 -0.136 0.190 18010 45 1 8 "Average Difference" C 37 1.004 0.547 0.854 18010 46 1 8 "Average Difference" CA 41 1.333 1.008 0.883 18010 47 1 8 "Average Difference" CB 41 0.722 -0.294 0.668 18010 48 1 8 "Average Difference" HN 38 0.363 -0.163 0.329 18010 49 1 9 "Average Difference" N 37 1.886 -0.965 1.644 18010 50 1 9 "Average Difference" HA 41 0.248 -0.125 0.217 18010 51 1 9 "Average Difference" C 37 0.953 0.543 0.794 18010 52 1 9 "Average Difference" CA 41 1.336 1.046 0.841 18010 53 1 9 "Average Difference" CB 41 0.657 -0.325 0.578 18010 54 1 9 "Average Difference" HN 38 0.337 -0.132 0.314 18010 55 1 10 "Average Difference" N 37 1.890 -0.633 1.806 18010 56 1 10 "Average Difference" HA 41 0.272 -0.154 0.228 18010 57 1 10 "Average Difference" C 37 0.960 0.367 0.899 18010 58 1 10 "Average Difference" CA 41 1.536 1.130 1.053 18010 59 1 10 "Average Difference" CB 41 0.796 -0.316 0.740 18010 60 1 10 "Average Difference" HN 38 0.356 -0.112 0.343 18010 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 18010 _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 4 4 LYS N N 14 123.250 123.250 121.864 1.386 18010 2 1 . 1 1 4 4 LYS HA H 14 4.180 4.180 4.203 -0.023 18010 3 1 . 1 1 4 4 LYS C C 14 177.770 177.770 177.140 0.630 18010 4 1 . 1 1 4 4 LYS CA C 14 57.620 57.620 56.993 0.627 18010 5 1 . 1 1 4 4 LYS CB C 14 32.580 32.580 31.903 0.677 18010 6 1 . 1 1 4 4 LYS H H 14 8.480 8.480 8.561 -0.081 18010 7 1 . 1 1 5 5 GLU N N 15 121.270 121.270 120.555 0.715 18010 8 1 . 1 1 5 5 GLU HA H 15 4.210 4.210 4.021 0.189 18010 9 1 . 1 1 5 5 GLU C C 15 177.390 177.390 178.291 -0.901 18010 10 1 . 1 1 5 5 GLU CA C 15 57.740 57.740 59.310 -1.570 18010 11 1 . 1 1 5 5 GLU CB C 15 29.960 29.960 29.498 0.462 18010 12 1 . 1 1 5 5 GLU H H 15 8.330 8.330 8.424 -0.093 18010 13 1 . 1 1 6 6 GLU N N 16 121.480 121.480 119.832 1.648 18010 14 1 . 1 1 6 6 GLU HA H 16 4.160 4.160 4.150 0.010 18010 15 1 . 1 1 6 6 GLU C C 16 177.740 177.740 178.567 -0.827 18010 16 1 . 1 1 6 6 GLU CA C 16 57.740 57.740 59.219 -1.479 18010 17 1 . 1 1 6 6 GLU CB C 16 29.960 29.960 29.390 0.570 18010 18 1 . 1 1 6 6 GLU H H 16 8.350 8.350 8.254 0.096 18010 19 1 . 1 1 7 7 ALA N N 17 124.390 124.390 121.930 2.460 18010 20 1 . 1 1 7 7 ALA HA H 17 4.190 4.190 4.135 0.055 18010 21 1 . 1 1 7 7 ALA C C 17 178.580 178.580 179.611 -1.031 18010 22 1 . 1 1 7 7 ALA CA C 17 53.630 53.630 54.883 -1.253 18010 23 1 . 1 1 7 7 ALA CB C 17 18.870 18.870 18.259 0.611 18010 24 1 . 1 1 7 7 ALA H H 17 8.230 8.230 8.223 0.007 18010 25 1 . 1 1 8 8 LYS N N 18 119.380 119.380 118.798 0.582 18010 26 1 . 1 1 8 8 LYS HA H 18 4.010 4.010 4.045 -0.035 18010 27 1 . 1 1 8 8 LYS C C 18 177.960 177.960 179.185 -1.225 18010 28 1 . 1 1 8 8 LYS CA C 18 58.060 58.060 59.663 -1.603 18010 29 1 . 1 1 8 8 LYS CB C 18 32.740 32.740 32.335 0.405 18010 30 1 . 1 1 8 8 LYS H H 18 8.070 8.070 7.688 0.382 18010 31 1 . 1 1 9 9 GLN N N 19 120.230 120.230 118.586 1.644 18010 32 1 . 1 1 9 9 GLN HA H 19 4.230 4.230 4.099 0.131 18010 33 1 . 1 1 9 9 GLN C C 19 176.550 176.550 178.319 -1.769 18010 34 1 . 1 1 9 9 GLN CA C 19 57.190 57.190 58.678 -1.488 18010 35 1 . 1 1 9 9 GLN CB C 19 28.820 28.820 28.553 0.267 18010 36 1 . 1 1 9 9 GLN H H 19 8.140 8.140 7.824 0.316 18010 37 1 . 1 1 10 10 ALA N N 20 123.740 123.740 122.741 0.999 18010 38 1 . 1 1 10 10 ALA HA H 20 4.200 4.200 4.093 0.107 18010 39 1 . 1 1 10 10 ALA C C 20 178.730 178.730 179.254 -0.524 18010 40 1 . 1 1 10 10 ALA CA C 20 53.820 53.820 54.917 -1.097 18010 41 1 . 1 1 10 10 ALA CB C 20 18.840 18.840 18.272 0.568 18010 42 1 . 1 1 10 10 ALA H H 20 8.180 8.180 7.739 0.441 18010 43 1 . 1 1 11 11 PHE N N 21 118.790 118.790 118.774 0.016 18010 44 1 . 1 1 11 11 PHE HA H 21 4.400 4.400 4.147 0.253 18010 45 1 . 1 1 11 11 PHE C C 21 176.380 176.380 177.413 -1.033 18010 46 1 . 1 1 11 11 PHE CA C 21 59.120 59.120 61.615 -2.495 18010 47 1 . 1 1 11 11 PHE CB C 21 39.320 39.320 39.113 0.207 18010 48 1 . 1 1 11 11 PHE H H 21 8.180 8.180 7.823 0.357 18010 49 1 . 1 1 12 12 LYS N N 22 120.470 120.470 119.074 1.396 18010 50 1 . 1 1 12 12 LYS HA H 22 4.010 4.010 3.878 0.132 18010 51 1 . 1 1 12 12 LYS C C 22 177.950 177.950 178.857 -0.907 18010 52 1 . 1 1 12 12 LYS CA C 22 58.720 58.720 59.907 -1.187 18010 53 1 . 1 1 12 12 LYS CB C 22 32.770 32.770 32.224 0.546 18010 54 1 . 1 1 12 12 LYS H H 22 7.980 7.980 7.762 0.218 18010 55 1 . 1 1 13 13 GLU N N 23 120.060 120.060 119.891 0.169 18010 56 1 . 1 1 13 13 GLU HA H 23 4.180 4.180 4.052 0.128 18010 57 1 . 1 1 13 13 GLU C C 23 178.170 178.170 178.977 -0.807 18010 58 1 . 1 1 13 13 GLU CA C 23 56.840 56.840 59.176 -2.336 18010 59 1 . 1 1 13 13 GLU CB C 23 29.490 29.490 29.591 -0.101 18010 60 1 . 1 1 13 13 GLU H H 23 8.140 8.140 7.998 0.142 18010 61 1 . 1 1 14 14 LEU N N 24 122.360 122.360 121.074 1.286 18010 62 1 . 1 1 14 14 LEU HA H 24 4.400 4.400 4.011 0.389 18010 63 1 . 1 1 14 14 LEU C C 24 178.260 178.260 178.784 -0.524 18010 64 1 . 1 1 14 14 LEU CA C 24 56.840 56.840 57.802 -0.962 18010 65 1 . 1 1 14 14 LEU CB C 24 42.090 42.090 41.815 0.275 18010 66 1 . 1 1 14 14 LEU H H 24 8.030 8.030 8.082 -0.052 18010 67 1 . 1 1 15 15 LEU N N 25 120.260 120.260 118.429 1.831 18010 68 1 . 1 1 15 15 LEU HA H 25 4.060 4.060 3.820 0.240 18010 69 1 . 1 1 15 15 LEU C C 25 177.990 177.990 178.497 -0.507 18010 70 1 . 1 1 15 15 LEU CA C 25 56.540 56.540 57.563 -1.023 18010 71 1 . 1 1 15 15 LEU CB C 25 41.920 41.920 41.561 0.359 18010 72 1 . 1 1 15 15 LEU H H 25 7.990 7.990 7.669 0.321 18010 73 1 . 1 1 16 16 LYS N N 26 120.680 120.680 117.344 3.336 18010 74 1 . 1 1 16 16 LYS HA H 26 4.200 4.200 3.983 0.217 18010 75 1 . 1 1 16 16 LYS C C 26 177.940 177.940 178.281 -0.341 18010 76 1 . 1 1 16 16 LYS CA C 26 57.610 57.610 58.913 -1.303 18010 77 1 . 1 1 16 16 LYS CB C 26 32.800 32.800 32.625 0.175 18010 78 1 . 1 1 16 16 LYS H H 26 7.890 7.890 7.624 0.266 18010 79 1 . 1 1 17 17 GLU N N 27 120.470 120.470 118.010 2.460 18010 80 1 . 1 1 17 17 GLU HA H 27 4.180 4.180 4.137 0.043 18010 81 1 . 1 1 17 17 GLU CA C 27 57.010 57.010 58.040 -1.030 18010 82 1 . 1 1 17 17 GLU CB C 27 28.930 28.930 30.111 -1.182 18010 83 1 . 1 1 17 17 GLU H H 27 8.170 8.170 7.803 0.367 18010 84 1 . 1 1 19 19 ARG HA H 29 4.250 4.250 4.132 0.118 18010 85 1 . 1 1 19 19 ARG C C 29 175.920 175.920 175.944 -0.024 18010 86 1 . 1 1 19 19 ARG CA C 29 55.940 55.940 56.970 -1.030 18010 87 1 . 1 1 19 19 ARG CB C 29 30.180 30.180 30.530 -0.350 18010 88 1 . 1 1 20 20 VAL N N 30 121.110 121.110 119.647 1.463 18010 89 1 . 1 1 20 20 VAL HA H 30 4.330 4.330 4.036 0.294 18010 90 1 . 1 1 20 20 VAL CA C 30 59.660 59.660 61.005 -1.345 18010 91 1 . 1 1 20 20 VAL CB C 30 32.780 32.780 31.015 1.765 18010 92 1 . 1 1 20 20 VAL H H 30 7.990 7.990 8.213 -0.223 18010 93 1 . 1 1 21 21 PRO HA H 31 4.420 4.420 4.443 -0.023 18010 94 1 . 1 1 21 21 PRO CA C 31 62.700 62.700 63.171 -0.471 18010 95 1 . 1 1 21 21 PRO CB C 31 32.390 32.390 32.392 -0.002 18010 96 1 . 1 1 22 22 SER N N 32 116.500 116.500 118.267 -1.767 18010 97 1 . 1 1 22 22 SER HA H 32 4.310 4.310 4.064 0.245 18010 98 1 . 1 1 22 22 SER C C 32 174.600 174.600 175.156 -0.556 18010 99 1 . 1 1 22 22 SER CA C 32 59.370 59.370 60.671 -1.301 18010 100 1 . 1 1 22 22 SER CB C 32 63.870 63.870 63.322 0.548 18010 101 1 . 1 1 22 22 SER H H 32 8.530 8.530 8.541 -0.011 18010 102 1 . 1 1 23 23 ASN N N 33 119.050 119.050 119.172 -0.122 18010 103 1 . 1 1 23 23 ASN HA H 33 4.720 4.720 4.595 0.125 18010 104 1 . 1 1 23 23 ASN C C 33 175.220 175.220 175.409 -0.189 18010 105 1 . 1 1 23 23 ASN CA C 33 52.950 52.950 53.796 -0.846 18010 106 1 . 1 1 23 23 ASN CB C 33 38.300 38.300 38.050 0.250 18010 107 1 . 1 1 23 23 ASN H H 33 8.310 8.310 8.295 0.015 18010 108 1 . 1 1 24 24 ALA N N 34 123.610 123.610 122.358 1.252 18010 109 1 . 1 1 24 24 ALA HA H 34 4.300 4.300 4.335 -0.035 18010 110 1 . 1 1 24 24 ALA C C 34 178.100 178.100 176.657 1.443 18010 111 1 . 1 1 24 24 ALA CA C 34 53.020 53.020 52.505 0.515 18010 112 1 . 1 1 24 24 ALA CB C 34 19.260 19.260 19.838 -0.578 18010 113 1 . 1 1 24 24 ALA H H 34 7.960 7.960 7.516 0.444 18010 114 1 . 1 1 25 25 SER N N 35 116.140 116.140 114.524 1.616 18010 115 1 . 1 1 25 25 SER HA H 35 4.490 4.490 4.514 -0.024 18010 116 1 . 1 1 25 25 SER C C 35 175.380 175.380 174.755 0.625 18010 117 1 . 1 1 25 25 SER CA C 35 58.290 58.290 57.139 1.151 18010 118 1 . 1 1 25 25 SER CB C 35 64.100 64.100 64.756 -0.656 18010 119 1 . 1 1 25 25 SER H H 35 8.350 8.350 8.001 0.349 18010 120 1 . 1 1 26 26 TRP N N 36 123.670 123.670 124.244 -0.574 18010 121 1 . 1 1 26 26 TRP HA H 36 4.310 4.310 4.419 -0.109 18010 122 1 . 1 1 26 26 TRP C C 36 177.060 177.060 177.938 -0.878 18010 123 1 . 1 1 26 26 TRP CA C 36 59.190 59.190 60.858 -1.668 18010 124 1 . 1 1 26 26 TRP CB C 36 28.720 28.720 29.517 -0.797 18010 125 1 . 1 1 26 26 TRP H H 36 8.570 8.570 8.839 -0.269 18010 126 1 . 1 1 27 27 GLU N N 37 119.050 119.050 118.382 0.668 18010 127 1 . 1 1 27 27 GLU HA H 37 3.740 3.740 3.946 -0.206 18010 128 1 . 1 1 27 27 GLU C C 37 178.570 178.570 178.926 -0.356 18010 129 1 . 1 1 27 27 GLU CA C 37 59.460 59.460 59.748 -0.288 18010 130 1 . 1 1 27 27 GLU CB C 37 29.300 29.300 29.235 0.065 18010 131 1 . 1 1 27 27 GLU H H 37 8.320 8.320 8.467 -0.147 18010 132 1 . 1 1 28 28 GLN N N 38 118.900 118.900 118.864 0.036 18010 133 1 . 1 1 28 28 GLN HA H 38 3.980 3.980 4.067 -0.087 18010 134 1 . 1 1 28 28 GLN C C 38 177.940 177.940 178.459 -0.519 18010 135 1 . 1 1 28 28 GLN CA C 38 56.630 56.630 58.377 -1.747 18010 136 1 . 1 1 28 28 GLN CB C 38 30.420 30.420 28.681 1.739 18010 137 1 . 1 1 28 28 GLN H H 38 7.790 7.790 7.600 0.191 18010 138 1 . 1 1 29 29 ALA N N 39 122.810 122.810 122.777 0.033 18010 139 1 . 1 1 29 29 ALA HA H 39 3.980 3.980 4.021 -0.040 18010 140 1 . 1 1 29 29 ALA C C 39 179.110 179.110 179.384 -0.274 18010 141 1 . 1 1 29 29 ALA CA C 39 54.560 54.560 54.897 -0.337 18010 142 1 . 1 1 29 29 ALA CB C 39 18.580 18.580 18.377 0.203 18010 143 1 . 1 1 29 29 ALA H H 39 8.170 8.170 8.369 -0.199 18010 144 1 . 1 1 30 30 MET N N 40 116.270 116.270 117.212 -0.942 18010 145 1 . 1 1 30 30 MET HA H 40 4.070 4.070 3.988 0.082 18010 146 1 . 1 1 30 30 MET C C 40 177.710 177.710 178.475 -0.765 18010 147 1 . 1 1 30 30 MET CA C 40 56.930 56.930 58.775 -1.845 18010 148 1 . 1 1 30 30 MET CB C 40 32.000 32.000 32.322 -0.322 18010 149 1 . 1 1 30 30 MET H H 40 8.150 8.150 8.155 -0.005 18010 150 1 . 1 1 31 31 LYS N N 41 118.730 118.730 119.231 -0.501 18010 151 1 . 1 1 31 31 LYS HA H 41 3.960 3.960 3.936 0.024 18010 152 1 . 1 1 31 31 LYS C C 41 177.860 177.860 179.046 -1.186 18010 153 1 . 1 1 31 31 LYS CA C 41 58.580 58.580 59.370 -0.790 18010 154 1 . 1 1 31 31 LYS CB C 41 32.440 32.440 32.188 0.252 18010 155 1 . 1 1 31 31 LYS H H 41 7.620 7.620 7.552 0.068 18010 156 1 . 1 1 32 32 MET N N 42 117.330 117.330 118.297 -0.967 18010 157 1 . 1 1 32 32 MET HA H 42 4.260 4.260 4.091 0.169 18010 158 1 . 1 1 32 32 MET C C 42 177.460 177.460 178.716 -1.256 18010 159 1 . 1 1 32 32 MET CA C 42 57.230 57.230 59.142 -1.912 18010 160 1 . 1 1 32 32 MET CB C 42 32.850 32.850 32.654 0.196 18010 161 1 . 1 1 32 32 MET H H 42 7.680 7.680 7.794 -0.114 18010 162 1 . 1 1 33 33 ILE N N 43 118.210 118.210 115.997 2.213 18010 163 1 . 1 1 33 33 ILE HA H 43 4.050 4.050 3.807 0.243 18010 164 1 . 1 1 33 33 ILE C C 43 176.780 176.780 177.373 -0.593 18010 165 1 . 1 1 33 33 ILE CA C 43 62.830 62.830 63.979 -1.149 18010 166 1 . 1 1 33 33 ILE CB C 43 38.700 38.700 37.490 1.210 18010 167 1 . 1 1 33 33 ILE H H 43 7.740 7.740 7.444 0.296 18010 168 1 . 1 1 34 34 ILE N N 44 119.000 119.000 119.389 -0.389 18010 169 1 . 1 1 34 34 ILE HA H 44 4.110 4.110 3.149 0.961 18010 170 1 . 1 1 34 34 ILE C C 44 175.920 175.920 177.100 -1.180 18010 171 1 . 1 1 34 34 ILE CA C 44 62.680 62.680 64.151 -1.471 18010 172 1 . 1 1 34 34 ILE CB C 44 38.910 38.910 37.680 1.231 18010 173 1 . 1 1 34 34 ILE H H 44 7.770 7.770 7.360 0.410 18010 174 1 . 1 1 35 35 ASN N N 45 118.210 118.210 116.357 1.853 18010 175 1 . 1 1 35 35 ASN HA H 45 4.720 4.720 4.503 0.217 18010 176 1 . 1 1 35 35 ASN C C 45 174.600 174.600 175.603 -1.003 18010 177 1 . 1 1 35 35 ASN CA C 45 53.230 53.230 54.685 -1.455 18010 178 1 . 1 1 35 35 ASN CB C 45 39.090 39.090 38.661 0.429 18010 179 1 . 1 1 35 35 ASN H H 45 7.870 7.870 7.658 0.212 18010 180 1 . 1 1 36 36 ASP N N 46 123.510 123.510 121.440 2.070 18010 181 1 . 1 1 36 36 ASP HA H 46 4.930 4.930 4.640 0.290 18010 182 1 . 1 1 36 36 ASP C C 46 175.630 175.630 176.091 -0.461 18010 183 1 . 1 1 36 36 ASP CA C 46 51.970 51.970 53.983 -2.013 18010 184 1 . 1 1 36 36 ASP CB C 46 43.130 43.130 41.488 1.642 18010 185 1 . 1 1 36 36 ASP H H 46 7.920 7.920 7.429 0.491 18010 186 1 . 1 1 37 37 PRO HA H 47 4.450 4.450 4.193 0.257 18010 187 1 . 1 1 37 37 PRO C C 47 178.100 178.100 178.416 -0.316 18010 188 1 . 1 1 37 37 PRO CA C 47 64.090 64.090 65.252 -1.162 18010 189 1 . 1 1 37 37 PRO CB C 47 32.040 32.040 31.889 0.151 18010 190 1 . 1 1 38 38 ARG N N 48 118.490 118.490 117.030 1.460 18010 191 1 . 1 1 38 38 ARG HA H 48 4.090 4.090 4.059 0.031 18010 192 1 . 1 1 38 38 ARG C C 48 177.700 177.700 178.565 -0.865 18010 193 1 . 1 1 38 38 ARG CA C 48 57.810 57.810 59.128 -1.318 18010 194 1 . 1 1 38 38 ARG CB C 48 30.160 30.160 29.888 0.272 18010 195 1 . 1 1 38 38 ARG H H 48 8.780 8.780 8.242 0.538 18010 196 1 . 1 1 39 39 TYR N N 49 118.350 118.350 121.151 -2.801 18010 197 1 . 1 1 39 39 TYR HA H 49 4.530 4.530 4.164 0.366 18010 198 1 . 1 1 39 39 TYR C C 49 176.550 176.550 177.066 -0.516 18010 199 1 . 1 1 39 39 TYR CA C 49 58.950 58.950 61.469 -2.519 18010 200 1 . 1 1 39 39 TYR CB C 49 38.990 38.990 38.221 0.769 18010 201 1 . 1 1 39 39 TYR H H 49 7.900 7.900 8.605 -0.705 18010 202 1 . 1 1 40 40 SER N N 50 115.790 115.790 115.244 0.546 18010 203 1 . 1 1 40 40 SER HA H 50 4.230 4.230 3.926 0.304 18010 204 1 . 1 1 40 40 SER C C 50 175.570 175.570 176.408 -0.838 18010 205 1 . 1 1 40 40 SER CA C 50 60.080 60.080 61.618 -1.538 18010 206 1 . 1 1 40 40 SER CB C 50 63.230 63.230 62.743 0.486 18010 207 1 . 1 1 40 40 SER H H 50 7.930 7.930 7.893 0.037 18010 208 1 . 1 1 41 41 ALA HA H 51 4.230 4.230 4.054 0.176 18010 209 1 . 1 1 41 41 ALA C C 51 178.570 178.570 179.287 -0.717 18010 210 1 . 1 1 41 41 ALA CA C 51 53.880 53.880 54.740 -0.860 18010 211 1 . 1 1 41 41 ALA CB C 51 18.840 18.840 18.342 0.498 18010 212 1 . 1 1 41 41 ALA H H 51 8.180 8.180 7.449 0.731 18010 213 1 . 1 1 42 42 LEU N N 52 118.900 118.900 119.456 -0.556 18010 214 1 . 1 1 42 42 LEU HA H 52 4.170 4.170 3.900 0.270 18010 215 1 . 1 1 42 42 LEU C C 52 178.140 178.140 178.496 -0.356 18010 216 1 . 1 1 42 42 LEU CA C 52 56.160 56.160 57.462 -1.302 18010 217 1 . 1 1 42 42 LEU CB C 52 42.070 42.070 41.683 0.387 18010 218 1 . 1 1 42 42 LEU H H 52 7.790 7.790 7.846 -0.056 18010 219 1 . 1 1 43 43 ALA N N 53 122.850 122.850 120.480 2.370 18010 220 1 . 1 1 43 43 ALA HA H 53 4.110 4.110 3.927 0.183 18010 221 1 . 1 1 43 43 ALA C C 53 178.490 178.490 178.912 -0.422 18010 222 1 . 1 1 43 43 ALA CA C 53 53.590 53.590 54.211 -0.621 18010 223 1 . 1 1 43 43 ALA CB C 53 18.840 18.840 18.616 0.224 18010 224 1 . 1 1 43 43 ALA H H 53 7.990 7.990 7.625 0.365 18010 225 1 . 1 1 44 44 LYS N N 54 118.370 118.370 117.588 0.782 18010 226 1 . 1 1 44 44 LYS HA H 54 4.230 4.230 4.097 0.133 18010 227 1 . 1 1 44 44 LYS CA C 54 56.970 56.970 57.410 -0.440 18010 228 1 . 1 1 44 44 LYS CB C 54 32.600 32.600 32.916 -0.316 18010 229 1 . 1 1 44 44 LYS H H 54 7.850 7.850 7.466 0.384 18010 230 1 . 1 1 45 45 LEU N N 55 121.540 121.540 117.986 3.554 18010 231 1 . 1 1 45 45 LEU HA H 55 4.280 4.280 3.911 0.369 18010 232 1 . 1 1 45 45 LEU C C 55 177.790 177.790 175.559 2.231 18010 233 1 . 1 1 45 45 LEU CA C 55 56.050 56.050 56.204 -0.154 18010 234 1 . 1 1 45 45 LEU CB C 55 42.220 42.220 41.114 1.106 18010 235 1 . 1 1 45 45 LEU H H 55 7.920 7.920 7.967 -0.047 18010 stop_ save_