data_19613 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19613 _Entry.PDB_ID 2MH2 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 19613 _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 13 13 PRO HA H 13 3.960 3.960 4.166 -0.206 19613 2 1 1 . 1 1 13 13 PRO C C 13 177.740 177.740 179.057 -1.317 19613 3 1 1 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.138 0.842 19613 4 1 1 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.983 -0.563 19613 5 1 1 . 1 1 14 14 GLY N N 14 103.910 103.910 105.871 -1.961 19613 6 1 1 . 1 1 14 14 GLY C C 14 176.450 176.450 176.527 -0.077 19613 7 1 1 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.747 0.453 19613 8 1 1 . 1 1 14 14 GLY H H 14 7.620 7.620 8.335 -0.715 19613 9 1 1 . 1 1 15 15 ILE N N 15 122.900 122.900 123.348 -0.448 19613 10 1 1 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.559 -0.089 19613 11 1 1 . 1 1 15 15 ILE C C 15 178.810 178.810 177.965 0.845 19613 12 1 1 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.337 -0.597 19613 13 1 1 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.792 0.988 19613 14 1 1 . 1 1 15 15 ILE H H 15 7.660 7.660 7.631 0.029 19613 15 1 1 . 1 1 16 16 ILE N N 16 120.300 120.300 119.803 0.497 19613 16 1 1 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.683 -0.353 19613 17 1 1 . 1 1 16 16 ILE C C 16 176.680 176.680 178.002 -1.322 19613 18 1 1 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.397 0.053 19613 19 1 1 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.873 -0.004 19613 20 1 1 . 1 1 16 16 ILE H H 16 8.130 8.130 8.371 -0.241 19613 21 1 1 . 1 1 17 17 LEU N N 17 120.680 120.680 121.127 -0.447 19613 22 1 1 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.965 -0.105 19613 23 1 1 . 1 1 17 17 LEU C C 17 177.830 177.830 178.304 -0.474 19613 24 1 1 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.553 0.007 19613 25 1 1 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.512 0.128 19613 26 1 1 . 1 1 17 17 LEU H H 17 8.560 8.560 8.274 0.286 19613 27 1 1 . 1 1 18 18 ARG N N 18 116.160 116.160 118.392 -2.232 19613 28 1 1 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.923 0.157 19613 29 1 1 . 1 1 18 18 ARG C C 18 178.250 178.250 178.463 -0.213 19613 30 1 1 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.472 -0.152 19613 31 1 1 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.935 -0.345 19613 32 1 1 . 1 1 18 18 ARG H H 18 7.580 7.580 7.942 -0.362 19613 33 1 1 . 1 1 19 19 TYR N N 19 119.280 119.280 120.952 -1.672 19613 34 1 1 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.203 0.147 19613 35 1 1 . 1 1 19 19 TYR C C 19 177.480 177.480 177.918 -0.438 19613 36 1 1 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.378 0.182 19613 37 1 1 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.250 0.150 19613 38 1 1 . 1 1 19 19 TYR H H 19 7.820 7.820 8.106 -0.286 19613 39 1 1 . 1 1 20 20 LEU N N 20 117.650 117.650 118.649 -0.999 19613 40 1 1 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.833 0.087 19613 41 1 1 . 1 1 20 20 LEU C C 20 181.270 181.270 179.605 1.665 19613 42 1 1 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.620 0.730 19613 43 1 1 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.697 -0.067 19613 44 1 1 . 1 1 20 20 LEU H H 20 8.610 8.610 8.634 -0.024 19613 45 1 1 . 1 1 21 21 GLN N N 21 119.530 119.530 118.669 0.861 19613 46 1 1 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.096 -0.176 19613 47 1 1 . 1 1 21 21 GLN C C 21 177.950 177.950 178.265 -0.315 19613 48 1 1 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.646 0.194 19613 49 1 1 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.905 -0.505 19613 50 1 1 . 1 1 21 21 GLN H H 21 8.630 8.630 8.205 0.425 19613 51 1 1 . 1 1 22 22 GLU N N 22 118.500 118.500 118.845 -0.345 19613 52 1 1 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.098 -0.088 19613 53 1 1 . 1 1 22 22 GLU C C 22 178.790 178.790 178.207 0.583 19613 54 1 1 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.653 -0.023 19613 55 1 1 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.880 -0.010 19613 56 1 1 . 1 1 22 22 GLU H H 22 8.260 8.260 8.121 0.139 19613 57 1 1 . 1 1 23 23 GLN N N 23 115.130 115.130 116.545 -1.415 19613 58 1 1 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.259 -0.289 19613 59 1 1 . 1 1 23 23 GLN C C 23 177.150 177.150 176.489 0.661 19613 60 1 1 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.265 0.235 19613 61 1 1 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.393 0.957 19613 62 1 1 . 1 1 23 23 GLN H H 23 8.110 8.110 7.741 0.369 19613 63 1 1 . 1 1 24 24 ASN N N 24 113.770 113.770 113.780 -0.010 19613 64 1 1 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.334 0.216 19613 65 1 1 . 1 1 24 24 ASN C C 24 173.280 173.280 174.108 -0.828 19613 66 1 1 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.422 -0.562 19613 67 1 1 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.192 0.648 19613 68 1 1 . 1 1 24 24 ASN H H 24 8.000 8.000 8.280 -0.280 19613 69 1 1 . 1 1 25 25 ARG N N 25 113.220 113.220 117.734 -4.514 19613 70 1 1 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.736 -0.006 19613 71 1 1 . 1 1 25 25 ARG C C 25 172.740 172.740 173.561 -0.821 19613 72 1 1 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.585 0.805 19613 73 1 1 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.887 -0.387 19613 74 1 1 . 1 1 25 25 ARG H H 25 7.100 7.100 7.706 -0.606 19613 75 1 1 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.855 0.445 19613 76 1 1 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.327 -0.997 19613 77 1 1 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.174 0.516 19613 78 1 1 . 1 1 27 27 TYR N N 27 118.560 118.560 122.409 -3.849 19613 79 1 1 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.798 0.361 19613 80 1 1 . 1 1 27 27 TYR C C 27 175.960 175.960 175.897 0.063 19613 81 1 1 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.841 0.779 19613 82 1 1 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.623 3.207 19613 83 1 1 . 1 1 27 27 TYR H H 27 9.040 9.040 9.064 -0.024 19613 84 1 1 . 1 1 28 28 SER N N 28 117.540 117.540 118.919 -1.379 19613 85 1 1 . 1 1 28 28 SER HA H 28 5.290 5.290 5.054 0.236 19613 86 1 1 . 1 1 28 28 SER C C 28 175.120 175.120 176.118 -0.998 19613 87 1 1 . 1 1 28 28 SER CA C 28 56.790 56.790 57.539 -0.749 19613 88 1 1 . 1 1 28 28 SER CB C 28 65.290 65.290 65.129 0.161 19613 89 1 1 . 1 1 28 28 SER H H 28 9.590 9.590 9.294 0.296 19613 90 1 1 . 1 1 29 29 ALA N N 29 122.480 122.480 123.408 -0.928 19613 91 1 1 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.059 -0.169 19613 92 1 1 . 1 1 29 29 ALA C C 29 179.570 179.570 180.006 -0.436 19613 93 1 1 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.721 -0.031 19613 94 1 1 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.663 0.278 19613 95 1 1 . 1 1 29 29 ALA H H 29 9.830 9.830 8.724 1.106 19613 96 1 1 . 1 1 30 30 GLN N N 30 116.680 116.680 117.486 -0.806 19613 97 1 1 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.189 -0.189 19613 98 1 1 . 1 1 30 30 GLN C C 30 178.110 178.110 178.448 -0.338 19613 99 1 1 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.881 0.139 19613 100 1 1 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.651 -0.741 19613 101 1 1 . 1 1 30 30 GLN H H 30 8.580 8.580 8.408 0.172 19613 102 1 1 . 1 1 31 31 ASP N N 31 120.540 120.540 121.727 -1.187 19613 103 1 1 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.498 0.072 19613 104 1 1 . 1 1 31 31 ASP C C 31 178.000 178.000 178.957 -0.957 19613 105 1 1 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.551 -0.481 19613 106 1 1 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.759 0.251 19613 107 1 1 . 1 1 31 31 ASP H H 31 7.950 7.950 8.254 -0.304 19613 108 1 1 . 1 1 32 32 VAL N N 32 120.050 120.050 119.629 0.421 19613 109 1 1 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.445 -0.335 19613 110 1 1 . 1 1 32 32 VAL C C 32 176.700 176.700 177.719 -1.019 19613 111 1 1 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.115 1.565 19613 112 1 1 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.856 -0.846 19613 113 1 1 . 1 1 32 32 VAL H H 32 8.220 8.220 8.309 -0.089 19613 114 1 1 . 1 1 33 33 PHE N N 33 116.980 116.980 121.302 -4.322 19613 115 1 1 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.118 0.012 19613 116 1 1 . 1 1 33 33 PHE C C 33 177.340 177.340 177.178 0.162 19613 117 1 1 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.996 -0.816 19613 118 1 1 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.634 -0.214 19613 119 1 1 . 1 1 33 33 PHE H H 33 8.290 8.290 7.773 0.517 19613 120 1 1 . 1 1 34 34 GLY N N 34 105.970 105.970 105.606 0.364 19613 121 1 1 . 1 1 34 34 GLY C C 34 176.440 176.440 176.028 0.412 19613 122 1 1 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.050 -0.290 19613 123 1 1 . 1 1 34 34 GLY H H 34 8.560 8.560 8.599 -0.039 19613 124 1 1 . 1 1 35 35 ASN N N 35 119.330 119.330 119.735 -0.405 19613 125 1 1 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.506 -0.006 19613 126 1 1 . 1 1 35 35 ASN C C 35 177.080 177.080 176.965 0.115 19613 127 1 1 . 1 1 35 35 ASN CA C 35 54.580 54.580 54.911 -0.331 19613 128 1 1 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.519 -0.809 19613 129 1 1 . 1 1 35 35 ASN H H 35 8.270 8.270 7.911 0.359 19613 130 1 1 . 1 1 36 36 LEU N N 36 117.960 117.960 118.855 -0.895 19613 131 1 1 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.406 0.074 19613 132 1 1 . 1 1 36 36 LEU C C 36 177.990 177.990 178.050 -0.060 19613 133 1 1 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.236 -0.146 19613 134 1 1 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.470 0.800 19613 135 1 1 . 1 1 36 36 LEU H H 36 7.450 7.450 7.697 -0.247 19613 136 1 1 . 1 1 37 37 GLN N N 37 121.190 121.190 121.402 -0.212 19613 137 1 1 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.880 -0.030 19613 138 1 1 . 1 1 37 37 GLN C C 37 178.240 178.240 177.828 0.412 19613 139 1 1 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.399 0.881 19613 140 1 1 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.217 -0.237 19613 141 1 1 . 1 1 37 37 GLN H H 37 7.310 7.310 8.097 -0.787 19613 142 1 1 . 1 1 38 38 LYS N N 38 119.590 119.590 117.621 1.969 19613 143 1 1 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.164 -0.304 19613 144 1 1 . 1 1 38 38 LYS C C 38 178.090 178.090 178.244 -0.154 19613 145 1 1 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.243 1.157 19613 146 1 1 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.482 -0.782 19613 147 1 1 . 1 1 38 38 LYS H H 38 8.500 8.500 7.793 0.707 19613 148 1 1 . 1 1 39 39 GLU N N 39 116.720 116.720 117.552 -0.832 19613 149 1 1 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.113 -0.193 19613 150 1 1 . 1 1 39 39 GLU C C 39 176.580 176.580 177.547 -0.967 19613 151 1 1 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.166 0.084 19613 152 1 1 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.256 0.224 19613 153 1 1 . 1 1 39 39 GLU H H 39 8.290 8.290 8.171 0.119 19613 154 1 1 . 1 1 40 40 HIS N N 40 112.640 112.640 114.965 -2.325 19613 155 1 1 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.729 -0.019 19613 156 1 1 . 1 1 40 40 HIS C C 40 176.970 176.970 175.760 1.210 19613 157 1 1 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.331 0.299 19613 158 1 1 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.944 1.026 19613 159 1 1 . 1 1 40 40 HIS H H 40 7.640 7.640 7.779 -0.139 19613 160 1 1 . 1 1 41 41 GLY N N 41 108.210 108.210 108.419 -0.209 19613 161 1 1 . 1 1 41 41 GLY C C 41 174.560 174.560 174.226 0.334 19613 162 1 1 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.343 1.837 19613 163 1 1 . 1 1 41 41 GLY H H 41 8.100 8.100 8.191 -0.091 19613 164 1 1 . 1 1 42 42 LEU N N 42 117.300 117.300 121.639 -4.339 19613 165 1 1 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.408 -0.098 19613 166 1 1 . 1 1 42 42 LEU C C 42 177.790 177.790 177.636 0.154 19613 167 1 1 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.836 -0.426 19613 168 1 1 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.441 0.379 19613 169 1 1 . 1 1 42 42 LEU H H 42 6.850 6.850 7.287 -0.437 19613 170 1 1 . 1 1 43 43 GLY N N 43 109.450 109.450 109.325 0.125 19613 171 1 1 . 1 1 43 43 GLY C C 43 173.630 173.630 174.651 -1.021 19613 172 1 1 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.607 -0.267 19613 173 1 1 . 1 1 43 43 GLY H H 43 8.690 8.690 8.346 0.344 19613 174 1 1 . 1 1 44 44 LYS N N 44 123.130 123.130 122.042 1.088 19613 175 1 1 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.245 -0.065 19613 176 1 1 . 1 1 44 44 LYS C C 44 177.960 177.960 178.547 -0.587 19613 177 1 1 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.045 1.405 19613 178 1 1 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.856 -0.906 19613 179 1 1 . 1 1 44 44 LYS H H 44 8.320 8.320 8.648 -0.328 19613 180 1 1 . 1 1 45 45 ALA N N 45 119.150 119.150 121.424 -2.274 19613 181 1 1 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.099 -0.129 19613 182 1 1 . 1 1 45 45 ALA C C 45 180.320 180.320 179.416 0.904 19613 183 1 1 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.629 0.351 19613 184 1 1 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.870 -0.490 19613 185 1 1 . 1 1 45 45 ALA H H 45 8.360 8.360 8.327 0.033 19613 186 1 1 . 1 1 46 46 ALA N N 46 120.560 120.560 122.031 -1.471 19613 187 1 1 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.109 -0.079 19613 188 1 1 . 1 1 46 46 ALA C C 46 180.760 180.760 180.111 0.649 19613 189 1 1 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.709 -0.179 19613 190 1 1 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.200 -0.130 19613 191 1 1 . 1 1 46 46 ALA H H 46 7.530 7.530 8.173 -0.643 19613 192 1 1 . 1 1 47 47 VAL N N 47 120.280 120.280 119.069 1.211 19613 193 1 1 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.516 -0.136 19613 194 1 1 . 1 1 47 47 VAL C C 47 176.860 176.860 177.965 -1.105 19613 195 1 1 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.669 0.051 19613 196 1 1 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.867 -0.447 19613 197 1 1 . 1 1 47 47 VAL H H 47 7.910 7.910 8.153 -0.243 19613 198 1 1 . 1 1 48 48 VAL N N 48 119.370 119.370 119.724 -0.354 19613 199 1 1 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.457 -0.107 19613 200 1 1 . 1 1 48 48 VAL C C 48 178.200 178.200 177.740 0.460 19613 201 1 1 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.013 -0.152 19613 202 1 1 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.349 0.631 19613 203 1 1 . 1 1 48 48 VAL H H 48 8.240 8.240 7.932 0.308 19613 204 1 1 . 1 1 49 49 LYS N N 49 117.640 117.640 119.167 -1.527 19613 205 1 1 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.005 0.075 19613 206 1 1 . 1 1 49 49 LYS C C 49 178.920 178.920 178.951 -0.031 19613 207 1 1 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.517 -0.527 19613 208 1 1 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.191 0.329 19613 209 1 1 . 1 1 49 49 LYS H H 49 7.830 7.830 8.218 -0.388 19613 210 1 1 . 1 1 50 50 ALA N N 50 120.810 120.810 122.883 -2.073 19613 211 1 1 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.110 -0.050 19613 212 1 1 . 1 1 50 50 ALA C C 50 179.390 179.390 179.618 -0.228 19613 213 1 1 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.900 -0.100 19613 214 1 1 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.081 0.919 19613 215 1 1 . 1 1 50 50 ALA H H 50 7.920 7.920 7.844 0.076 19613 216 1 1 . 1 1 51 51 LEU N N 51 118.510 118.510 119.343 -0.833 19613 217 1 1 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.656 -0.096 19613 218 1 1 . 1 1 51 51 LEU C C 51 177.800 177.800 178.713 -0.913 19613 219 1 1 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.095 0.115 19613 220 1 1 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.097 -0.807 19613 221 1 1 . 1 1 51 51 LEU H H 51 8.210 8.210 8.152 0.058 19613 222 1 1 . 1 1 52 52 ASP N N 52 116.940 116.940 118.278 -1.338 19613 223 1 1 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.520 0.000 19613 224 1 1 . 1 1 52 52 ASP C C 52 178.800 178.800 179.029 -0.229 19613 225 1 1 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.097 0.303 19613 226 1 1 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.169 0.741 19613 227 1 1 . 1 1 52 52 ASP H H 52 7.710 7.710 7.919 -0.209 19613 228 1 1 . 1 1 53 53 GLN N N 53 120.360 120.360 120.593 -0.233 19613 229 1 1 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.134 -0.154 19613 230 1 1 . 1 1 53 53 GLN C C 53 178.310 178.310 178.370 -0.060 19613 231 1 1 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.438 0.931 19613 232 1 1 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.325 0.015 19613 233 1 1 . 1 1 53 53 GLN H H 53 8.200 8.200 7.939 0.261 19613 234 1 1 . 1 1 54 54 LEU N N 54 118.990 118.990 119.637 -0.647 19613 235 1 1 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.022 -0.042 19613 236 1 1 . 1 1 54 54 LEU C C 54 179.660 179.660 178.927 0.733 19613 237 1 1 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.757 -0.007 19613 238 1 1 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.657 1.784 19613 239 1 1 . 1 1 54 54 LEU H H 54 8.500 8.500 8.342 0.158 19613 240 1 1 . 1 1 55 55 ALA N N 55 122.270 122.270 120.925 1.345 19613 241 1 1 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.396 -0.026 19613 242 1 1 . 1 1 55 55 ALA C C 55 181.940 181.940 179.770 2.170 19613 243 1 1 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.458 0.252 19613 244 1 1 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.562 -0.972 19613 245 1 1 . 1 1 55 55 ALA H H 55 8.350 8.350 8.035 0.315 19613 246 1 1 . 1 1 56 56 GLN N N 56 122.320 122.320 118.266 4.054 19613 247 1 1 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.101 -0.031 19613 248 1 1 . 1 1 56 56 GLN C C 56 178.840 178.840 178.282 0.558 19613 249 1 1 . 1 1 56 56 GLN CA C 56 59.180 59.180 57.984 1.196 19613 250 1 1 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.637 -0.587 19613 251 1 1 . 1 1 56 56 GLN H H 56 8.610 8.610 8.052 0.558 19613 252 1 1 . 1 1 57 57 GLU N N 57 115.890 115.890 116.219 -0.329 19613 253 1 1 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.256 -0.036 19613 254 1 1 . 1 1 57 57 GLU C C 57 177.000 177.000 177.052 -0.052 19613 255 1 1 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.542 0.138 19613 256 1 1 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.233 0.557 19613 257 1 1 . 1 1 57 57 GLU H H 57 8.060 8.060 7.883 0.177 19613 258 1 1 . 1 1 58 58 GLY N N 58 107.440 107.440 106.511 0.929 19613 259 1 1 . 1 1 58 58 GLY C C 58 174.340 174.340 175.211 -0.871 19613 260 1 1 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.451 0.129 19613 261 1 1 . 1 1 58 58 GLY H H 58 7.920 7.920 7.946 -0.026 19613 262 1 1 . 1 1 59 59 LYS N N 59 118.190 118.190 118.513 -0.323 19613 263 1 1 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.378 -0.218 19613 264 1 1 . 1 1 59 59 LYS C C 59 176.150 176.150 176.106 0.044 19613 265 1 1 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.978 0.812 19613 266 1 1 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.511 0.668 19613 267 1 1 . 1 1 59 59 LYS H H 59 8.170 8.170 8.503 -0.333 19613 268 1 1 . 1 1 60 60 ILE N N 60 107.860 107.860 113.132 -5.272 19613 269 1 1 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.665 -0.095 19613 270 1 1 . 1 1 60 60 ILE C C 60 172.900 172.900 174.232 -1.332 19613 271 1 1 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.182 -0.642 19613 272 1 1 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.847 -0.937 19613 273 1 1 . 1 1 60 60 ILE H H 60 7.140 7.140 7.314 -0.174 19613 274 1 1 . 1 1 61 61 LYS N N 61 119.750 119.750 120.212 -0.462 19613 275 1 1 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.492 -0.082 19613 276 1 1 . 1 1 61 61 LYS C C 61 173.930 173.930 174.518 -0.588 19613 277 1 1 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.854 -0.594 19613 278 1 1 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.268 -0.598 19613 279 1 1 . 1 1 61 61 LYS H H 61 8.670 8.670 8.644 0.026 19613 280 1 1 . 1 1 62 62 GLU N N 62 117.580 117.580 119.605 -2.025 19613 281 1 1 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.032 0.108 19613 282 1 1 . 1 1 62 62 GLU C C 62 175.630 175.630 175.517 0.113 19613 283 1 1 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.354 -0.774 19613 284 1 1 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.959 0.951 19613 285 1 1 . 1 1 62 62 GLU H H 62 8.130 8.130 8.241 -0.111 19613 286 1 1 . 1 1 63 63 LYS N N 63 122.890 122.890 123.398 -0.508 19613 287 1 1 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.638 -0.088 19613 288 1 1 . 1 1 63 63 LYS C C 63 174.510 174.510 175.242 -0.732 19613 289 1 1 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.152 -0.142 19613 290 1 1 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.401 -0.122 19613 291 1 1 . 1 1 63 63 LYS H H 63 8.880 8.880 8.807 0.073 19613 292 1 1 . 1 1 64 64 THR N N 64 117.560 117.560 119.715 -2.155 19613 293 1 1 . 1 1 64 64 THR HA H 64 4.760 4.760 4.782 -0.022 19613 294 1 1 . 1 1 64 64 THR C C 64 173.870 173.870 173.975 -0.105 19613 295 1 1 . 1 1 64 64 THR CA C 64 62.120 62.120 62.307 -0.187 19613 296 1 1 . 1 1 64 64 THR CB C 64 69.740 69.740 69.360 0.380 19613 297 1 1 . 1 1 64 64 THR H H 64 8.410 8.410 8.456 -0.046 19613 298 1 1 . 1 1 65 65 TYR N N 65 127.630 127.630 128.377 -0.747 19613 299 1 1 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.514 0.196 19613 300 1 1 . 1 1 65 65 TYR C C 65 175.780 175.780 176.156 -0.376 19613 301 1 1 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.017 -0.488 19613 302 1 1 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.641 1.579 19613 303 1 1 . 1 1 65 65 TYR H H 65 8.770 8.770 8.986 -0.216 19613 304 1 1 . 1 1 67 67 LYS N N 67 120.220 120.220 124.196 -3.976 19613 305 1 1 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.494 -0.294 19613 306 1 1 . 1 1 67 67 LYS C C 67 175.890 175.890 175.791 0.099 19613 307 1 1 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.927 0.373 19613 308 1 1 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.339 -1.159 19613 309 1 1 . 1 1 67 67 LYS H H 67 8.110 8.110 8.596 -0.486 19613 310 1 1 . 1 1 68 68 GLN N N 68 119.090 119.090 119.958 -0.868 19613 311 1 1 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.625 0.055 19613 312 1 1 . 1 1 68 68 GLN C C 68 174.080 174.080 174.584 -0.504 19613 313 1 1 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.341 0.459 19613 314 1 1 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.373 0.217 19613 315 1 1 . 1 1 68 68 GLN H H 68 7.920 7.920 7.712 0.208 19613 316 1 1 . 1 1 69 69 LYS N N 69 123.400 123.400 120.808 2.592 19613 317 1 1 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.108 -0.368 19613 318 1 1 . 1 1 69 69 LYS C C 69 175.820 175.820 175.490 0.330 19613 319 1 1 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.522 0.568 19613 320 1 1 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.432 -1.522 19613 321 1 1 . 1 1 69 69 LYS H H 69 8.370 8.370 8.597 -0.227 19613 322 1 1 . 1 1 70 70 ILE N N 70 120.640 120.640 121.593 -0.953 19613 323 1 1 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.741 -0.181 19613 324 1 1 . 1 1 70 70 ILE C C 70 173.330 173.330 174.278 -0.948 19613 325 1 1 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.440 -1.390 19613 326 1 1 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.263 -0.583 19613 327 1 1 . 1 1 70 70 ILE H H 70 8.780 8.780 8.918 -0.138 19613 328 1 1 . 1 1 71 71 TYR N N 71 120.200 120.200 124.817 -4.617 19613 329 1 1 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.641 -0.051 19613 330 1 1 . 1 1 71 71 TYR C C 71 175.840 175.840 175.207 0.633 19613 331 1 1 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.968 0.842 19613 332 1 1 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.880 0.640 19613 333 1 1 . 1 1 71 71 TYR H H 71 8.810 8.810 9.333 -0.523 19613 334 1 1 . 1 1 72 72 PHE N N 72 113.950 113.950 116.382 -2.432 19613 335 1 1 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.193 -0.193 19613 336 1 1 . 1 1 72 72 PHE C C 72 172.950 172.950 173.536 -0.586 19613 337 1 1 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.923 -0.213 19613 338 1 1 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.086 -2.036 19613 339 1 1 . 1 1 72 72 PHE H H 72 8.470 8.470 8.750 -0.280 19613 340 1 1 . 1 1 73 73 ALA N N 73 123.890 123.890 123.683 0.207 19613 341 1 1 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.183 0.357 19613 342 1 1 . 1 1 73 73 ALA C C 73 176.090 176.090 176.701 -0.611 19613 343 1 1 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.425 -0.955 19613 344 1 1 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.404 0.576 19613 345 1 1 . 1 1 73 73 ALA H H 73 8.850 8.850 8.888 -0.038 19613 346 1 2 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.160 -0.200 19613 347 1 2 . 1 1 13 13 PRO C C 13 177.740 177.740 179.063 -1.323 19613 348 1 2 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.144 0.836 19613 349 1 2 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.971 -0.551 19613 350 1 2 . 1 1 14 14 GLY N N 14 103.910 103.910 105.796 -1.886 19613 351 1 2 . 1 1 14 14 GLY C C 14 176.450 176.450 176.505 -0.055 19613 352 1 2 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.748 0.452 19613 353 1 2 . 1 1 14 14 GLY H H 14 7.620 7.620 8.344 -0.724 19613 354 1 2 . 1 1 15 15 ILE N N 15 122.900 122.900 123.317 -0.417 19613 355 1 2 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.576 -0.106 19613 356 1 2 . 1 1 15 15 ILE C C 15 178.810 178.810 177.975 0.835 19613 357 1 2 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.298 -0.558 19613 358 1 2 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.803 0.976 19613 359 1 2 . 1 1 15 15 ILE H H 15 7.660 7.660 7.605 0.055 19613 360 1 2 . 1 1 16 16 ILE N N 16 120.300 120.300 119.892 0.408 19613 361 1 2 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.674 -0.344 19613 362 1 2 . 1 1 16 16 ILE C C 16 176.680 176.680 177.982 -1.302 19613 363 1 2 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.405 0.045 19613 364 1 2 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.841 0.029 19613 365 1 2 . 1 1 16 16 ILE H H 16 8.130 8.130 8.293 -0.163 19613 366 1 2 . 1 1 17 17 LEU N N 17 120.680 120.680 121.145 -0.465 19613 367 1 2 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.951 -0.091 19613 368 1 2 . 1 1 17 17 LEU C C 17 177.830 177.830 178.309 -0.479 19613 369 1 2 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.638 -0.078 19613 370 1 2 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.533 0.107 19613 371 1 2 . 1 1 17 17 LEU H H 17 8.560 8.560 8.259 0.301 19613 372 1 2 . 1 1 18 18 ARG N N 18 116.160 116.160 118.288 -2.128 19613 373 1 2 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.927 0.153 19613 374 1 2 . 1 1 18 18 ARG C C 18 178.250 178.250 178.494 -0.244 19613 375 1 2 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.441 -0.121 19613 376 1 2 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.959 -0.369 19613 377 1 2 . 1 1 18 18 ARG H H 18 7.580 7.580 7.912 -0.332 19613 378 1 2 . 1 1 19 19 TYR N N 19 119.280 119.280 120.922 -1.642 19613 379 1 2 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.196 0.154 19613 380 1 2 . 1 1 19 19 TYR C C 19 177.480 177.480 177.913 -0.433 19613 381 1 2 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.497 0.063 19613 382 1 2 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.270 0.130 19613 383 1 2 . 1 1 19 19 TYR H H 19 7.820 7.820 8.079 -0.259 19613 384 1 2 . 1 1 20 20 LEU N N 20 117.650 117.650 118.598 -0.948 19613 385 1 2 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.858 0.062 19613 386 1 2 . 1 1 20 20 LEU C C 20 181.270 181.270 179.592 1.678 19613 387 1 2 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.597 0.753 19613 388 1 2 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.721 -0.090 19613 389 1 2 . 1 1 20 20 LEU H H 20 8.610 8.610 8.654 -0.044 19613 390 1 2 . 1 1 21 21 GLN N N 21 119.530 119.530 118.705 0.825 19613 391 1 2 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.090 -0.170 19613 392 1 2 . 1 1 21 21 GLN C C 21 177.950 177.950 178.253 -0.303 19613 393 1 2 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.707 0.133 19613 394 1 2 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.887 -0.488 19613 395 1 2 . 1 1 21 21 GLN H H 21 8.630 8.630 8.167 0.463 19613 396 1 2 . 1 1 22 22 GLU N N 22 118.500 118.500 118.795 -0.295 19613 397 1 2 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.111 -0.101 19613 398 1 2 . 1 1 22 22 GLU C C 22 178.790 178.790 178.218 0.572 19613 399 1 2 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.585 0.045 19613 400 1 2 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.909 -0.039 19613 401 1 2 . 1 1 22 22 GLU H H 22 8.260 8.260 8.091 0.169 19613 402 1 2 . 1 1 23 23 GLN N N 23 115.130 115.130 116.729 -1.599 19613 403 1 2 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.235 -0.265 19613 404 1 2 . 1 1 23 23 GLN C C 23 177.150 177.150 176.551 0.599 19613 405 1 2 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.419 0.081 19613 406 1 2 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.332 1.018 19613 407 1 2 . 1 1 23 23 GLN H H 23 8.110 8.110 7.805 0.305 19613 408 1 2 . 1 1 24 24 ASN N N 24 113.770 113.770 113.634 0.136 19613 409 1 2 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.338 0.212 19613 410 1 2 . 1 1 24 24 ASN C C 24 173.280 173.280 174.118 -0.838 19613 411 1 2 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.440 -0.580 19613 412 1 2 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.218 0.622 19613 413 1 2 . 1 1 24 24 ASN H H 24 8.000 8.000 8.298 -0.298 19613 414 1 2 . 1 1 25 25 ARG N N 25 113.220 113.220 117.816 -4.596 19613 415 1 2 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.736 -0.006 19613 416 1 2 . 1 1 25 25 ARG C C 25 172.740 172.740 173.563 -0.823 19613 417 1 2 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.556 0.834 19613 418 1 2 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.893 -0.393 19613 419 1 2 . 1 1 25 25 ARG H H 25 7.100 7.100 7.767 -0.667 19613 420 1 2 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.822 0.478 19613 421 1 2 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.356 -1.026 19613 422 1 2 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.152 0.538 19613 423 1 2 . 1 1 27 27 TYR N N 27 118.560 118.560 122.541 -3.981 19613 424 1 2 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.802 0.358 19613 425 1 2 . 1 1 27 27 TYR C C 27 175.960 175.960 175.912 0.048 19613 426 1 2 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.861 0.759 19613 427 1 2 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.601 3.229 19613 428 1 2 . 1 1 27 27 TYR H H 27 9.040 9.040 9.022 0.018 19613 429 1 2 . 1 1 28 28 SER N N 28 117.540 117.540 119.014 -1.474 19613 430 1 2 . 1 1 28 28 SER HA H 28 5.290 5.290 5.014 0.276 19613 431 1 2 . 1 1 28 28 SER C C 28 175.120 175.120 176.115 -0.995 19613 432 1 2 . 1 1 28 28 SER CA C 28 56.790 56.790 57.749 -0.959 19613 433 1 2 . 1 1 28 28 SER CB C 28 65.290 65.290 65.098 0.192 19613 434 1 2 . 1 1 28 28 SER H H 28 9.590 9.590 9.248 0.342 19613 435 1 2 . 1 1 29 29 ALA N N 29 122.480 122.480 123.384 -0.904 19613 436 1 2 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.082 -0.192 19613 437 1 2 . 1 1 29 29 ALA C C 29 179.570 179.570 180.039 -0.469 19613 438 1 2 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.707 -0.017 19613 439 1 2 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.697 0.243 19613 440 1 2 . 1 1 29 29 ALA H H 29 9.830 9.830 8.888 0.942 19613 441 1 2 . 1 1 30 30 GLN N N 30 116.680 116.680 117.455 -0.775 19613 442 1 2 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.210 -0.210 19613 443 1 2 . 1 1 30 30 GLN C C 30 178.110 178.110 178.413 -0.303 19613 444 1 2 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.853 0.167 19613 445 1 2 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.681 -0.771 19613 446 1 2 . 1 1 30 30 GLN H H 30 8.580 8.580 8.419 0.161 19613 447 1 2 . 1 1 31 31 ASP N N 31 120.540 120.540 121.799 -1.259 19613 448 1 2 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.499 0.071 19613 449 1 2 . 1 1 31 31 ASP C C 31 178.000 178.000 178.945 -0.945 19613 450 1 2 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.583 -0.513 19613 451 1 2 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.758 0.252 19613 452 1 2 . 1 1 31 31 ASP H H 31 7.950 7.950 8.262 -0.312 19613 453 1 2 . 1 1 32 32 VAL N N 32 120.050 120.050 119.574 0.476 19613 454 1 2 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.446 -0.336 19613 455 1 2 . 1 1 32 32 VAL C C 32 176.700 176.700 177.693 -0.993 19613 456 1 2 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.105 1.575 19613 457 1 2 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.829 -0.819 19613 458 1 2 . 1 1 32 32 VAL H H 32 8.220 8.220 8.292 -0.072 19613 459 1 2 . 1 1 33 33 PHE N N 33 116.980 116.980 121.470 -4.490 19613 460 1 2 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.132 -0.002 19613 461 1 2 . 1 1 33 33 PHE C C 33 177.340 177.340 177.167 0.173 19613 462 1 2 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.888 -0.708 19613 463 1 2 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.534 -0.114 19613 464 1 2 . 1 1 33 33 PHE H H 33 8.290 8.290 7.705 0.585 19613 465 1 2 . 1 1 34 34 GLY N N 34 105.970 105.970 106.037 -0.067 19613 466 1 2 . 1 1 34 34 GLY C C 34 176.440 176.440 176.016 0.424 19613 467 1 2 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.168 -0.408 19613 468 1 2 . 1 1 34 34 GLY H H 34 8.560 8.560 8.626 -0.066 19613 469 1 2 . 1 1 35 35 ASN N N 35 119.330 119.330 120.358 -1.028 19613 470 1 2 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.479 0.021 19613 471 1 2 . 1 1 35 35 ASN C C 35 177.080 177.080 177.480 -0.400 19613 472 1 2 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.315 -0.735 19613 473 1 2 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.362 -0.652 19613 474 1 2 . 1 1 35 35 ASN H H 35 8.270 8.270 7.878 0.392 19613 475 1 2 . 1 1 36 36 LEU N N 36 117.960 117.960 119.731 -1.771 19613 476 1 2 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.321 0.159 19613 477 1 2 . 1 1 36 36 LEU C C 36 177.990 177.990 178.587 -0.597 19613 478 1 2 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.965 -0.875 19613 479 1 2 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.305 0.965 19613 480 1 2 . 1 1 36 36 LEU H H 36 7.450 7.450 7.947 -0.497 19613 481 1 2 . 1 1 37 37 GLN N N 37 121.190 121.190 121.073 0.117 19613 482 1 2 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.937 -0.087 19613 483 1 2 . 1 1 37 37 GLN C C 37 178.240 178.240 178.077 0.163 19613 484 1 2 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.266 1.014 19613 485 1 2 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.241 -0.261 19613 486 1 2 . 1 1 37 37 GLN H H 37 7.310 7.310 8.342 -1.032 19613 487 1 2 . 1 1 38 38 LYS N N 38 119.590 119.590 118.212 1.378 19613 488 1 2 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.119 -0.259 19613 489 1 2 . 1 1 38 38 LYS C C 38 178.090 178.090 178.512 -0.422 19613 490 1 2 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.557 0.843 19613 491 1 2 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.525 -0.825 19613 492 1 2 . 1 1 38 38 LYS H H 38 8.500 8.500 7.483 1.017 19613 493 1 2 . 1 1 39 39 GLU N N 39 116.720 116.720 117.536 -0.816 19613 494 1 2 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.094 -0.174 19613 495 1 2 . 1 1 39 39 GLU C C 39 176.580 176.580 177.916 -1.336 19613 496 1 2 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.408 -0.159 19613 497 1 2 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.216 0.264 19613 498 1 2 . 1 1 39 39 GLU H H 39 8.290 8.290 7.932 0.358 19613 499 1 2 . 1 1 40 40 HIS N N 40 112.640 112.640 114.852 -2.212 19613 500 1 2 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.725 -0.015 19613 501 1 2 . 1 1 40 40 HIS C C 40 176.970 176.970 175.773 1.197 19613 502 1 2 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.324 0.306 19613 503 1 2 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.632 1.338 19613 504 1 2 . 1 1 40 40 HIS H H 40 7.640 7.640 7.710 -0.070 19613 505 1 2 . 1 1 41 41 GLY N N 41 108.210 108.210 108.283 -0.073 19613 506 1 2 . 1 1 41 41 GLY C C 41 174.560 174.560 174.178 0.382 19613 507 1 2 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.240 1.940 19613 508 1 2 . 1 1 41 41 GLY H H 41 8.100 8.100 8.131 -0.031 19613 509 1 2 . 1 1 42 42 LEU N N 42 117.300 117.300 121.483 -4.183 19613 510 1 2 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.430 -0.120 19613 511 1 2 . 1 1 42 42 LEU C C 42 177.790 177.790 177.626 0.164 19613 512 1 2 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.788 -0.378 19613 513 1 2 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.525 0.295 19613 514 1 2 . 1 1 42 42 LEU H H 42 6.850 6.850 7.406 -0.556 19613 515 1 2 . 1 1 43 43 GLY N N 43 109.450 109.450 108.918 0.532 19613 516 1 2 . 1 1 43 43 GLY C C 43 173.630 173.630 174.627 -0.997 19613 517 1 2 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.570 -0.230 19613 518 1 2 . 1 1 43 43 GLY H H 43 8.690 8.690 8.311 0.379 19613 519 1 2 . 1 1 44 44 LYS N N 44 123.130 123.130 121.514 1.616 19613 520 1 2 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.149 0.031 19613 521 1 2 . 1 1 44 44 LYS C C 44 177.960 177.960 178.510 -0.550 19613 522 1 2 . 1 1 44 44 LYS CA C 44 60.450 60.450 58.997 1.453 19613 523 1 2 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.850 -0.900 19613 524 1 2 . 1 1 44 44 LYS H H 44 8.320 8.320 8.646 -0.326 19613 525 1 2 . 1 1 45 45 ALA N N 45 119.150 119.150 121.467 -2.317 19613 526 1 2 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.080 -0.110 19613 527 1 2 . 1 1 45 45 ALA C C 45 180.320 180.320 179.435 0.885 19613 528 1 2 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.680 0.300 19613 529 1 2 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.838 -0.458 19613 530 1 2 . 1 1 45 45 ALA H H 45 8.360 8.360 8.327 0.033 19613 531 1 2 . 1 1 46 46 ALA N N 46 120.560 120.560 121.920 -1.360 19613 532 1 2 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.094 -0.064 19613 533 1 2 . 1 1 46 46 ALA C C 46 180.760 180.760 180.125 0.635 19613 534 1 2 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.724 -0.195 19613 535 1 2 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.195 -0.125 19613 536 1 2 . 1 1 46 46 ALA H H 46 7.530 7.530 8.168 -0.638 19613 537 1 2 . 1 1 47 47 VAL N N 47 120.280 120.280 118.984 1.296 19613 538 1 2 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.518 -0.138 19613 539 1 2 . 1 1 47 47 VAL C C 47 176.860 176.860 177.949 -1.089 19613 540 1 2 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.622 0.098 19613 541 1 2 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.907 -0.487 19613 542 1 2 . 1 1 47 47 VAL H H 47 7.910 7.910 8.009 -0.099 19613 543 1 2 . 1 1 48 48 VAL N N 48 119.370 119.370 119.650 -0.280 19613 544 1 2 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.442 -0.092 19613 545 1 2 . 1 1 48 48 VAL C C 48 178.200 178.200 177.719 0.481 19613 546 1 2 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.018 -0.158 19613 547 1 2 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.336 0.644 19613 548 1 2 . 1 1 48 48 VAL H H 48 8.240 8.240 8.105 0.135 19613 549 1 2 . 1 1 49 49 LYS N N 49 117.640 117.640 119.036 -1.396 19613 550 1 2 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.997 0.083 19613 551 1 2 . 1 1 49 49 LYS C C 49 178.920 178.920 178.896 0.024 19613 552 1 2 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.527 -0.537 19613 553 1 2 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.181 0.339 19613 554 1 2 . 1 1 49 49 LYS H H 49 7.830 7.830 8.148 -0.318 19613 555 1 2 . 1 1 50 50 ALA N N 50 120.810 120.810 122.924 -2.114 19613 556 1 2 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.107 -0.047 19613 557 1 2 . 1 1 50 50 ALA C C 50 179.390 179.390 179.608 -0.218 19613 558 1 2 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.879 -0.079 19613 559 1 2 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.051 0.949 19613 560 1 2 . 1 1 50 50 ALA H H 50 7.920 7.920 7.802 0.118 19613 561 1 2 . 1 1 51 51 LEU N N 51 118.510 118.510 119.234 -0.724 19613 562 1 2 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.635 -0.075 19613 563 1 2 . 1 1 51 51 LEU C C 51 177.800 177.800 178.776 -0.976 19613 564 1 2 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.086 0.124 19613 565 1 2 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.072 -0.782 19613 566 1 2 . 1 1 51 51 LEU H H 51 8.210 8.210 8.176 0.034 19613 567 1 2 . 1 1 52 52 ASP N N 52 116.940 116.940 118.391 -1.451 19613 568 1 2 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.530 -0.010 19613 569 1 2 . 1 1 52 52 ASP C C 52 178.800 178.800 178.963 -0.163 19613 570 1 2 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.969 0.431 19613 571 1 2 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.248 0.662 19613 572 1 2 . 1 1 52 52 ASP H H 52 7.710 7.710 7.740 -0.030 19613 573 1 2 . 1 1 53 53 GLN N N 53 120.360 120.360 120.807 -0.447 19613 574 1 2 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.099 -0.119 19613 575 1 2 . 1 1 53 53 GLN C C 53 178.310 178.310 178.471 -0.161 19613 576 1 2 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.386 0.984 19613 577 1 2 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.349 -0.009 19613 578 1 2 . 1 1 53 53 GLN H H 53 8.200 8.200 7.963 0.237 19613 579 1 2 . 1 1 54 54 LEU N N 54 118.990 118.990 119.313 -0.323 19613 580 1 2 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.085 -0.105 19613 581 1 2 . 1 1 54 54 LEU C C 54 179.660 179.660 178.947 0.713 19613 582 1 2 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.642 0.109 19613 583 1 2 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.706 1.734 19613 584 1 2 . 1 1 54 54 LEU H H 54 8.500 8.500 8.439 0.061 19613 585 1 2 . 1 1 55 55 ALA N N 55 122.270 122.270 121.714 0.556 19613 586 1 2 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.384 -0.014 19613 587 1 2 . 1 1 55 55 ALA C C 55 181.940 181.940 179.896 2.044 19613 588 1 2 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.530 0.180 19613 589 1 2 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.679 -1.089 19613 590 1 2 . 1 1 55 55 ALA H H 55 8.350 8.350 7.742 0.608 19613 591 1 2 . 1 1 56 56 GLN N N 56 122.320 122.320 116.987 5.333 19613 592 1 2 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.073 -0.003 19613 593 1 2 . 1 1 56 56 GLN C C 56 178.840 178.840 178.307 0.533 19613 594 1 2 . 1 1 56 56 GLN CA C 56 59.180 59.180 57.966 1.214 19613 595 1 2 . 1 1 56 56 GLN CB C 56 28.050 28.050 29.006 -0.956 19613 596 1 2 . 1 1 56 56 GLN H H 56 8.610 8.610 8.127 0.483 19613 597 1 2 . 1 1 57 57 GLU N N 57 115.890 115.890 117.543 -1.653 19613 598 1 2 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.313 -0.093 19613 599 1 2 . 1 1 57 57 GLU C C 57 177.000 177.000 176.609 0.391 19613 600 1 2 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.216 0.464 19613 601 1 2 . 1 1 57 57 GLU CB C 57 30.790 30.790 29.874 0.916 19613 602 1 2 . 1 1 57 57 GLU H H 57 8.060 8.060 7.724 0.336 19613 603 1 2 . 1 1 58 58 GLY N N 58 107.440 107.440 107.120 0.320 19613 604 1 2 . 1 1 58 58 GLY C C 58 174.340 174.340 175.069 -0.729 19613 605 1 2 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.793 -0.213 19613 606 1 2 . 1 1 58 58 GLY H H 58 7.920 7.920 7.687 0.233 19613 607 1 2 . 1 1 59 59 LYS N N 59 118.190 118.190 119.008 -0.818 19613 608 1 2 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.434 -0.274 19613 609 1 2 . 1 1 59 59 LYS C C 59 176.150 176.150 176.175 -0.025 19613 610 1 2 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.529 0.261 19613 611 1 2 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.766 0.414 19613 612 1 2 . 1 1 59 59 LYS H H 59 8.170 8.170 8.471 -0.301 19613 613 1 2 . 1 1 60 60 ILE N N 60 107.860 107.860 113.475 -5.615 19613 614 1 2 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.466 0.104 19613 615 1 2 . 1 1 60 60 ILE C C 60 172.900 172.900 174.142 -1.242 19613 616 1 2 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.069 -0.529 19613 617 1 2 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.248 -0.338 19613 618 1 2 . 1 1 60 60 ILE H H 60 7.140 7.140 7.318 -0.178 19613 619 1 2 . 1 1 61 61 LYS N N 61 119.750 119.750 121.588 -1.838 19613 620 1 2 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.538 -0.128 19613 621 1 2 . 1 1 61 61 LYS C C 61 173.930 173.930 174.625 -0.695 19613 622 1 2 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.884 -0.624 19613 623 1 2 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.874 -0.205 19613 624 1 2 . 1 1 61 61 LYS H H 61 8.670 8.670 8.435 0.235 19613 625 1 2 . 1 1 62 62 GLU N N 62 117.580 117.580 119.714 -2.134 19613 626 1 2 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.038 0.102 19613 627 1 2 . 1 1 62 62 GLU C C 62 175.630 175.630 175.070 0.560 19613 628 1 2 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.504 -0.924 19613 629 1 2 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.785 1.125 19613 630 1 2 . 1 1 62 62 GLU H H 62 8.130 8.130 8.270 -0.140 19613 631 1 2 . 1 1 63 63 LYS N N 63 122.890 122.890 123.979 -1.089 19613 632 1 2 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.612 -0.062 19613 633 1 2 . 1 1 63 63 LYS C C 63 174.510 174.510 175.200 -0.690 19613 634 1 2 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.225 -0.215 19613 635 1 2 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.191 0.089 19613 636 1 2 . 1 1 63 63 LYS H H 63 8.880 8.880 8.844 0.036 19613 637 1 2 . 1 1 64 64 THR N N 64 117.560 117.560 120.289 -2.729 19613 638 1 2 . 1 1 64 64 THR HA H 64 4.760 4.760 4.490 0.270 19613 639 1 2 . 1 1 64 64 THR C C 64 173.870 173.870 173.941 -0.071 19613 640 1 2 . 1 1 64 64 THR CA C 64 62.120 62.120 62.440 -0.320 19613 641 1 2 . 1 1 64 64 THR CB C 64 69.740 69.740 69.340 0.400 19613 642 1 2 . 1 1 64 64 THR H H 64 8.410 8.410 8.480 -0.070 19613 643 1 2 . 1 1 65 65 TYR N N 65 127.630 127.630 128.435 -0.805 19613 644 1 2 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.513 0.197 19613 645 1 2 . 1 1 65 65 TYR C C 65 175.780 175.780 176.100 -0.320 19613 646 1 2 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.902 -0.372 19613 647 1 2 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.354 1.866 19613 648 1 2 . 1 1 65 65 TYR H H 65 8.770 8.770 9.094 -0.324 19613 649 1 2 . 1 1 67 67 LYS N N 67 120.220 120.220 124.772 -4.552 19613 650 1 2 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.417 -0.217 19613 651 1 2 . 1 1 67 67 LYS C C 67 175.890 175.890 175.897 -0.007 19613 652 1 2 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.178 0.122 19613 653 1 2 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.264 -1.084 19613 654 1 2 . 1 1 67 67 LYS H H 67 8.110 8.110 8.619 -0.509 19613 655 1 2 . 1 1 68 68 GLN N N 68 119.090 119.090 119.952 -0.862 19613 656 1 2 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.596 0.084 19613 657 1 2 . 1 1 68 68 GLN C C 68 174.080 174.080 174.379 -0.299 19613 658 1 2 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.913 -0.112 19613 659 1 2 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.909 -0.319 19613 660 1 2 . 1 1 68 68 GLN H H 68 7.920 7.920 7.607 0.313 19613 661 1 2 . 1 1 69 69 LYS N N 69 123.400 123.400 122.283 1.117 19613 662 1 2 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.911 -0.171 19613 663 1 2 . 1 1 69 69 LYS C C 69 175.820 175.820 175.456 0.364 19613 664 1 2 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.593 0.497 19613 665 1 2 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.985 -1.075 19613 666 1 2 . 1 1 69 69 LYS H H 69 8.370 8.370 8.719 -0.349 19613 667 1 2 . 1 1 70 70 ILE N N 70 120.640 120.640 121.323 -0.683 19613 668 1 2 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.729 -0.169 19613 669 1 2 . 1 1 70 70 ILE C C 70 173.330 173.330 174.304 -0.974 19613 670 1 2 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.476 -1.426 19613 671 1 2 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.166 -0.486 19613 672 1 2 . 1 1 70 70 ILE H H 70 8.780 8.780 8.894 -0.114 19613 673 1 2 . 1 1 71 71 TYR N N 71 120.200 120.200 124.911 -4.711 19613 674 1 2 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.482 0.108 19613 675 1 2 . 1 1 71 71 TYR C C 71 175.840 175.840 175.146 0.694 19613 676 1 2 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.067 0.743 19613 677 1 2 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.728 0.792 19613 678 1 2 . 1 1 71 71 TYR H H 71 8.810 8.810 9.361 -0.551 19613 679 1 2 . 1 1 72 72 PHE N N 72 113.950 113.950 116.320 -2.370 19613 680 1 2 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.180 -0.180 19613 681 1 2 . 1 1 72 72 PHE C C 72 172.950 172.950 173.402 -0.452 19613 682 1 2 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.238 -0.528 19613 683 1 2 . 1 1 72 72 PHE CB C 72 40.050 40.050 41.946 -1.896 19613 684 1 2 . 1 1 72 72 PHE H H 72 8.470 8.470 8.772 -0.302 19613 685 1 2 . 1 1 73 73 ALA N N 73 123.890 123.890 123.332 0.558 19613 686 1 2 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.306 0.234 19613 687 1 2 . 1 1 73 73 ALA C C 73 176.090 176.090 176.122 -0.032 19613 688 1 2 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.776 -0.306 19613 689 1 2 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.983 -0.003 19613 690 1 2 . 1 1 73 73 ALA H H 73 8.850 8.850 8.852 -0.002 19613 691 1 3 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.163 -0.203 19613 692 1 3 . 1 1 13 13 PRO C C 13 177.740 177.740 179.059 -1.319 19613 693 1 3 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.179 0.801 19613 694 1 3 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.979 -0.559 19613 695 1 3 . 1 1 14 14 GLY N N 14 103.910 103.910 105.770 -1.860 19613 696 1 3 . 1 1 14 14 GLY C C 14 176.450 176.450 176.551 -0.101 19613 697 1 3 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.734 0.466 19613 698 1 3 . 1 1 14 14 GLY H H 14 7.620 7.620 8.345 -0.725 19613 699 1 3 . 1 1 15 15 ILE N N 15 122.900 122.900 123.360 -0.460 19613 700 1 3 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.564 -0.094 19613 701 1 3 . 1 1 15 15 ILE C C 15 178.810 178.810 177.942 0.868 19613 702 1 3 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.371 -0.631 19613 703 1 3 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.802 0.978 19613 704 1 3 . 1 1 15 15 ILE H H 15 7.660 7.660 7.676 -0.016 19613 705 1 3 . 1 1 16 16 ILE N N 16 120.300 120.300 119.769 0.531 19613 706 1 3 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.696 -0.366 19613 707 1 3 . 1 1 16 16 ILE C C 16 176.680 176.680 178.033 -1.353 19613 708 1 3 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.380 0.070 19613 709 1 3 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.905 -0.035 19613 710 1 3 . 1 1 16 16 ILE H H 16 8.130 8.130 8.357 -0.227 19613 711 1 3 . 1 1 17 17 LEU N N 17 120.680 120.680 121.134 -0.454 19613 712 1 3 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.970 -0.110 19613 713 1 3 . 1 1 17 17 LEU C C 17 177.830 177.830 178.306 -0.476 19613 714 1 3 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.582 -0.022 19613 715 1 3 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.570 0.070 19613 716 1 3 . 1 1 17 17 LEU H H 17 8.560 8.560 8.208 0.352 19613 717 1 3 . 1 1 18 18 ARG N N 18 116.160 116.160 118.418 -2.258 19613 718 1 3 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.924 0.156 19613 719 1 3 . 1 1 18 18 ARG C C 18 178.250 178.250 178.462 -0.212 19613 720 1 3 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.461 -0.141 19613 721 1 3 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.919 -0.329 19613 722 1 3 . 1 1 18 18 ARG H H 18 7.580 7.580 7.957 -0.377 19613 723 1 3 . 1 1 19 19 TYR N N 19 119.280 119.280 120.912 -1.632 19613 724 1 3 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.214 0.136 19613 725 1 3 . 1 1 19 19 TYR C C 19 177.480 177.480 177.919 -0.439 19613 726 1 3 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.344 0.216 19613 727 1 3 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.247 0.153 19613 728 1 3 . 1 1 19 19 TYR H H 19 7.820 7.820 8.169 -0.349 19613 729 1 3 . 1 1 20 20 LEU N N 20 117.650 117.650 118.893 -1.243 19613 730 1 3 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.884 0.036 19613 731 1 3 . 1 1 20 20 LEU C C 20 181.270 181.270 179.639 1.631 19613 732 1 3 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.600 0.750 19613 733 1 3 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.733 -0.103 19613 734 1 3 . 1 1 20 20 LEU H H 20 8.610 8.610 8.513 0.097 19613 735 1 3 . 1 1 21 21 GLN N N 21 119.530 119.530 118.590 0.940 19613 736 1 3 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.102 -0.182 19613 737 1 3 . 1 1 21 21 GLN C C 21 177.950 177.950 178.248 -0.298 19613 738 1 3 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.635 0.205 19613 739 1 3 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.921 -0.520 19613 740 1 3 . 1 1 21 21 GLN H H 21 8.630 8.630 8.224 0.406 19613 741 1 3 . 1 1 22 22 GLU N N 22 118.500 118.500 118.895 -0.395 19613 742 1 3 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.100 -0.090 19613 743 1 3 . 1 1 22 22 GLU C C 22 178.790 178.790 178.225 0.565 19613 744 1 3 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.649 -0.019 19613 745 1 3 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.890 -0.020 19613 746 1 3 . 1 1 22 22 GLU H H 22 8.260 8.260 8.169 0.091 19613 747 1 3 . 1 1 23 23 GLN N N 23 115.130 115.130 116.443 -1.313 19613 748 1 3 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.259 -0.289 19613 749 1 3 . 1 1 23 23 GLN C C 23 177.150 177.150 176.475 0.675 19613 750 1 3 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.188 0.312 19613 751 1 3 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.343 1.007 19613 752 1 3 . 1 1 23 23 GLN H H 23 8.110 8.110 7.794 0.316 19613 753 1 3 . 1 1 24 24 ASN N N 24 113.770 113.770 113.592 0.178 19613 754 1 3 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.364 0.186 19613 755 1 3 . 1 1 24 24 ASN C C 24 173.280 173.280 174.128 -0.848 19613 756 1 3 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.419 -0.559 19613 757 1 3 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.233 0.607 19613 758 1 3 . 1 1 24 24 ASN H H 24 8.000 8.000 8.244 -0.244 19613 759 1 3 . 1 1 25 25 ARG N N 25 113.220 113.220 117.807 -4.587 19613 760 1 3 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.744 -0.014 19613 761 1 3 . 1 1 25 25 ARG C C 25 172.740 172.740 173.551 -0.811 19613 762 1 3 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.574 0.816 19613 763 1 3 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.942 -0.442 19613 764 1 3 . 1 1 25 25 ARG H H 25 7.100 7.100 7.642 -0.542 19613 765 1 3 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.958 0.342 19613 766 1 3 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.242 -0.912 19613 767 1 3 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.359 0.331 19613 768 1 3 . 1 1 27 27 TYR N N 27 118.560 118.560 121.942 -3.382 19613 769 1 3 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.807 0.353 19613 770 1 3 . 1 1 27 27 TYR C C 27 175.960 175.960 176.018 -0.058 19613 771 1 3 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.911 0.709 19613 772 1 3 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.864 2.966 19613 773 1 3 . 1 1 27 27 TYR H H 27 9.040 9.040 9.143 -0.103 19613 774 1 3 . 1 1 28 28 SER N N 28 117.540 117.540 118.312 -0.772 19613 775 1 3 . 1 1 28 28 SER HA H 28 5.290 5.290 5.130 0.160 19613 776 1 3 . 1 1 28 28 SER C C 28 175.120 175.120 175.946 -0.826 19613 777 1 3 . 1 1 28 28 SER CA C 28 56.790 56.790 57.199 -0.409 19613 778 1 3 . 1 1 28 28 SER CB C 28 65.290 65.290 65.391 -0.101 19613 779 1 3 . 1 1 28 28 SER H H 28 9.590 9.590 9.252 0.338 19613 780 1 3 . 1 1 29 29 ALA N N 29 122.480 122.480 122.529 -0.049 19613 781 1 3 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.074 -0.184 19613 782 1 3 . 1 1 29 29 ALA C C 29 179.570 179.570 180.074 -0.504 19613 783 1 3 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.704 -0.014 19613 784 1 3 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.596 0.344 19613 785 1 3 . 1 1 29 29 ALA H H 29 9.830 9.830 9.184 0.646 19613 786 1 3 . 1 1 30 30 GLN N N 30 116.680 116.680 118.062 -1.382 19613 787 1 3 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.203 -0.203 19613 788 1 3 . 1 1 30 30 GLN C C 30 178.110 178.110 178.624 -0.514 19613 789 1 3 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.870 0.151 19613 790 1 3 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.610 -0.700 19613 791 1 3 . 1 1 30 30 GLN H H 30 8.580 8.580 8.119 0.461 19613 792 1 3 . 1 1 31 31 ASP N N 31 120.540 120.540 121.605 -1.065 19613 793 1 3 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.505 0.065 19613 794 1 3 . 1 1 31 31 ASP C C 31 178.000 178.000 178.958 -0.958 19613 795 1 3 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.549 -0.479 19613 796 1 3 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.758 0.252 19613 797 1 3 . 1 1 31 31 ASP H H 31 7.950 7.950 8.221 -0.271 19613 798 1 3 . 1 1 32 32 VAL N N 32 120.050 120.050 119.729 0.321 19613 799 1 3 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.435 -0.325 19613 800 1 3 . 1 1 32 32 VAL C C 32 176.700 176.700 177.687 -0.987 19613 801 1 3 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.063 1.617 19613 802 1 3 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.869 -0.859 19613 803 1 3 . 1 1 32 32 VAL H H 32 8.220 8.220 8.267 -0.047 19613 804 1 3 . 1 1 33 33 PHE N N 33 116.980 116.980 121.287 -4.307 19613 805 1 3 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.094 0.036 19613 806 1 3 . 1 1 33 33 PHE C C 33 177.340 177.340 177.194 0.146 19613 807 1 3 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.223 -1.043 19613 808 1 3 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.712 -0.292 19613 809 1 3 . 1 1 33 33 PHE H H 33 8.290 8.290 8.074 0.216 19613 810 1 3 . 1 1 34 34 GLY N N 34 105.970 105.970 105.320 0.650 19613 811 1 3 . 1 1 34 34 GLY C C 34 176.440 176.440 176.033 0.407 19613 812 1 3 . 1 1 34 34 GLY CA C 34 46.760 46.760 46.991 -0.231 19613 813 1 3 . 1 1 34 34 GLY H H 34 8.560 8.560 8.477 0.083 19613 814 1 3 . 1 1 35 35 ASN N N 35 119.330 119.330 119.468 -0.138 19613 815 1 3 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.513 -0.013 19613 816 1 3 . 1 1 35 35 ASN C C 35 177.080 177.080 176.579 0.501 19613 817 1 3 . 1 1 35 35 ASN CA C 35 54.580 54.580 54.729 -0.149 19613 818 1 3 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.515 -0.805 19613 819 1 3 . 1 1 35 35 ASN H H 35 8.270 8.270 7.860 0.410 19613 820 1 3 . 1 1 36 36 LEU N N 36 117.960 117.960 118.113 -0.153 19613 821 1 3 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.426 0.054 19613 822 1 3 . 1 1 36 36 LEU C C 36 177.990 177.990 177.823 0.167 19613 823 1 3 . 1 1 36 36 LEU CA C 36 55.090 55.090 54.929 0.161 19613 824 1 3 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.599 0.671 19613 825 1 3 . 1 1 36 36 LEU H H 36 7.450 7.450 7.667 -0.217 19613 826 1 3 . 1 1 37 37 GLN N N 37 121.190 121.190 121.482 -0.292 19613 827 1 3 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.789 0.061 19613 828 1 3 . 1 1 37 37 GLN C C 37 178.240 178.240 177.706 0.534 19613 829 1 3 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.444 0.836 19613 830 1 3 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.157 -0.177 19613 831 1 3 . 1 1 37 37 GLN H H 37 7.310 7.310 7.927 -0.617 19613 832 1 3 . 1 1 38 38 LYS N N 38 119.590 119.590 117.446 2.144 19613 833 1 3 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.184 -0.324 19613 834 1 3 . 1 1 38 38 LYS C C 38 178.090 178.090 177.974 0.116 19613 835 1 3 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.094 1.306 19613 836 1 3 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.444 -0.744 19613 837 1 3 . 1 1 38 38 LYS H H 38 8.500 8.500 8.067 0.433 19613 838 1 3 . 1 1 39 39 GLU N N 39 116.720 116.720 117.630 -0.910 19613 839 1 3 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.137 -0.217 19613 840 1 3 . 1 1 39 39 GLU C C 39 176.580 176.580 177.107 -0.527 19613 841 1 3 . 1 1 39 39 GLU CA C 39 58.250 58.250 57.905 0.345 19613 842 1 3 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.279 0.201 19613 843 1 3 . 1 1 39 39 GLU H H 39 8.290 8.290 8.161 0.129 19613 844 1 3 . 1 1 40 40 HIS N N 40 112.640 112.640 115.161 -2.521 19613 845 1 3 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.726 -0.016 19613 846 1 3 . 1 1 40 40 HIS C C 40 176.970 176.970 175.725 1.245 19613 847 1 3 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.382 0.248 19613 848 1 3 . 1 1 40 40 HIS CB C 40 32.970 32.970 32.206 0.764 19613 849 1 3 . 1 1 40 40 HIS H H 40 7.640 7.640 7.987 -0.347 19613 850 1 3 . 1 1 41 41 GLY N N 41 108.210 108.210 108.638 -0.428 19613 851 1 3 . 1 1 41 41 GLY C C 41 174.560 174.560 174.203 0.357 19613 852 1 3 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.446 1.734 19613 853 1 3 . 1 1 41 41 GLY H H 41 8.100 8.100 8.224 -0.124 19613 854 1 3 . 1 1 42 42 LEU N N 42 117.300 117.300 121.717 -4.417 19613 855 1 3 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.392 -0.082 19613 856 1 3 . 1 1 42 42 LEU C C 42 177.790 177.790 177.550 0.240 19613 857 1 3 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.814 -0.404 19613 858 1 3 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.387 0.433 19613 859 1 3 . 1 1 42 42 LEU H H 42 6.850 6.850 7.241 -0.391 19613 860 1 3 . 1 1 43 43 GLY N N 43 109.450 109.450 109.506 -0.056 19613 861 1 3 . 1 1 43 43 GLY C C 43 173.630 173.630 174.670 -1.040 19613 862 1 3 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.531 -0.190 19613 863 1 3 . 1 1 43 43 GLY H H 43 8.690 8.690 8.350 0.340 19613 864 1 3 . 1 1 44 44 LYS N N 44 123.130 123.130 121.997 1.133 19613 865 1 3 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.472 -0.292 19613 866 1 3 . 1 1 44 44 LYS C C 44 177.960 177.960 178.579 -0.619 19613 867 1 3 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.194 1.256 19613 868 1 3 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.931 -0.981 19613 869 1 3 . 1 1 44 44 LYS H H 44 8.320 8.320 8.657 -0.337 19613 870 1 3 . 1 1 45 45 ALA N N 45 119.150 119.150 121.385 -2.235 19613 871 1 3 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.115 -0.145 19613 872 1 3 . 1 1 45 45 ALA C C 45 180.320 180.320 179.428 0.892 19613 873 1 3 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.643 0.337 19613 874 1 3 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.887 -0.507 19613 875 1 3 . 1 1 45 45 ALA H H 45 8.360 8.360 8.354 0.006 19613 876 1 3 . 1 1 46 46 ALA N N 46 120.560 120.560 122.032 -1.472 19613 877 1 3 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.121 -0.091 19613 878 1 3 . 1 1 46 46 ALA C C 46 180.760 180.760 180.130 0.630 19613 879 1 3 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.709 -0.179 19613 880 1 3 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.208 -0.138 19613 881 1 3 . 1 1 46 46 ALA H H 46 7.530 7.530 8.192 -0.662 19613 882 1 3 . 1 1 47 47 VAL N N 47 120.280 120.280 119.141 1.139 19613 883 1 3 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.521 -0.141 19613 884 1 3 . 1 1 47 47 VAL C C 47 176.860 176.860 177.973 -1.113 19613 885 1 3 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.709 0.011 19613 886 1 3 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.862 -0.442 19613 887 1 3 . 1 1 47 47 VAL H H 47 7.910 7.910 8.164 -0.254 19613 888 1 3 . 1 1 48 48 VAL N N 48 119.370 119.370 119.672 -0.302 19613 889 1 3 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.464 -0.114 19613 890 1 3 . 1 1 48 48 VAL C C 48 178.200 178.200 177.807 0.393 19613 891 1 3 . 1 1 48 48 VAL CA C 48 66.860 66.860 66.988 -0.128 19613 892 1 3 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.373 0.607 19613 893 1 3 . 1 1 48 48 VAL H H 48 8.240 8.240 7.936 0.304 19613 894 1 3 . 1 1 49 49 LYS N N 49 117.640 117.640 119.279 -1.639 19613 895 1 3 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.039 0.041 19613 896 1 3 . 1 1 49 49 LYS C C 49 178.920 178.920 178.919 0.001 19613 897 1 3 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.398 -0.408 19613 898 1 3 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.243 0.277 19613 899 1 3 . 1 1 49 49 LYS H H 49 7.830 7.830 8.283 -0.453 19613 900 1 3 . 1 1 50 50 ALA N N 50 120.810 120.810 122.959 -2.149 19613 901 1 3 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.101 -0.041 19613 902 1 3 . 1 1 50 50 ALA C C 50 179.390 179.390 179.635 -0.245 19613 903 1 3 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.965 -0.166 19613 904 1 3 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.083 0.917 19613 905 1 3 . 1 1 50 50 ALA H H 50 7.920 7.920 7.895 0.025 19613 906 1 3 . 1 1 51 51 LEU N N 51 118.510 118.510 119.003 -0.493 19613 907 1 3 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.714 -0.154 19613 908 1 3 . 1 1 51 51 LEU C C 51 177.800 177.800 178.749 -0.949 19613 909 1 3 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.005 0.205 19613 910 1 3 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.145 -0.855 19613 911 1 3 . 1 1 51 51 LEU H H 51 8.210 8.210 8.154 0.056 19613 912 1 3 . 1 1 52 52 ASP N N 52 116.940 116.940 118.802 -1.862 19613 913 1 3 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.382 0.138 19613 914 1 3 . 1 1 52 52 ASP C C 52 178.800 178.800 178.899 -0.099 19613 915 1 3 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.485 -0.085 19613 916 1 3 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.067 0.843 19613 917 1 3 . 1 1 52 52 ASP H H 52 7.710 7.710 7.970 -0.260 19613 918 1 3 . 1 1 53 53 GLN N N 53 120.360 120.360 120.238 0.122 19613 919 1 3 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.142 -0.162 19613 920 1 3 . 1 1 53 53 GLN C C 53 178.310 178.310 178.489 -0.179 19613 921 1 3 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.406 0.964 19613 922 1 3 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.403 -0.063 19613 923 1 3 . 1 1 53 53 GLN H H 53 8.200 8.200 7.898 0.302 19613 924 1 3 . 1 1 54 54 LEU N N 54 118.990 118.990 119.763 -0.773 19613 925 1 3 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.080 -0.100 19613 926 1 3 . 1 1 54 54 LEU C C 54 179.660 179.660 178.955 0.705 19613 927 1 3 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.663 0.087 19613 928 1 3 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.692 1.748 19613 929 1 3 . 1 1 54 54 LEU H H 54 8.500 8.500 8.364 0.136 19613 930 1 3 . 1 1 55 55 ALA N N 55 122.270 122.270 121.484 0.786 19613 931 1 3 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.324 0.046 19613 932 1 3 . 1 1 55 55 ALA C C 55 181.940 181.940 179.655 2.285 19613 933 1 3 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.539 0.171 19613 934 1 3 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.527 -0.937 19613 935 1 3 . 1 1 55 55 ALA H H 55 8.350 8.350 8.250 0.100 19613 936 1 3 . 1 1 56 56 GLN N N 56 122.320 122.320 118.415 3.905 19613 937 1 3 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.100 -0.030 19613 938 1 3 . 1 1 56 56 GLN C C 56 178.840 178.840 178.158 0.682 19613 939 1 3 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.018 1.162 19613 940 1 3 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.722 -0.672 19613 941 1 3 . 1 1 56 56 GLN H H 56 8.610 8.610 8.109 0.501 19613 942 1 3 . 1 1 57 57 GLU N N 57 115.890 115.890 117.410 -1.520 19613 943 1 3 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.343 -0.123 19613 944 1 3 . 1 1 57 57 GLU C C 57 177.000 177.000 176.313 0.687 19613 945 1 3 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.029 0.651 19613 946 1 3 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.077 0.713 19613 947 1 3 . 1 1 57 57 GLU H H 57 8.060 8.060 7.773 0.287 19613 948 1 3 . 1 1 58 58 GLY N N 58 107.440 107.440 107.233 0.207 19613 949 1 3 . 1 1 58 58 GLY C C 58 174.340 174.340 175.003 -0.663 19613 950 1 3 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.825 -0.245 19613 951 1 3 . 1 1 58 58 GLY H H 58 7.920 7.920 7.683 0.237 19613 952 1 3 . 1 1 59 59 LYS N N 59 118.190 118.190 118.440 -0.250 19613 953 1 3 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.456 -0.296 19613 954 1 3 . 1 1 59 59 LYS C C 59 176.150 176.150 175.835 0.315 19613 955 1 3 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.171 0.619 19613 956 1 3 . 1 1 59 59 LYS CB C 59 34.180 34.180 34.000 0.180 19613 957 1 3 . 1 1 59 59 LYS H H 59 8.170 8.170 8.363 -0.193 19613 958 1 3 . 1 1 60 60 ILE N N 60 107.860 107.860 114.039 -6.179 19613 959 1 3 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.931 -0.361 19613 960 1 3 . 1 1 60 60 ILE C C 60 172.900 172.900 174.298 -1.398 19613 961 1 3 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.038 -0.498 19613 962 1 3 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.731 -0.821 19613 963 1 3 . 1 1 60 60 ILE H H 60 7.140 7.140 7.349 -0.209 19613 964 1 3 . 1 1 61 61 LYS N N 61 119.750 119.750 120.304 -0.554 19613 965 1 3 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.630 -0.220 19613 966 1 3 . 1 1 61 61 LYS C C 61 173.930 173.930 174.138 -0.208 19613 967 1 3 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.106 0.153 19613 968 1 3 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.916 -1.246 19613 969 1 3 . 1 1 61 61 LYS H H 61 8.670 8.670 8.651 0.019 19613 970 1 3 . 1 1 62 62 GLU N N 62 117.580 117.580 119.289 -1.709 19613 971 1 3 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.152 -0.012 19613 972 1 3 . 1 1 62 62 GLU C C 62 175.630 175.630 175.531 0.099 19613 973 1 3 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.247 -0.667 19613 974 1 3 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.946 0.964 19613 975 1 3 . 1 1 62 62 GLU H H 62 8.130 8.130 8.248 -0.118 19613 976 1 3 . 1 1 63 63 LYS N N 63 122.890 122.890 123.371 -0.481 19613 977 1 3 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.667 -0.117 19613 978 1 3 . 1 1 63 63 LYS C C 63 174.510 174.510 175.593 -1.083 19613 979 1 3 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.655 0.355 19613 980 1 3 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.652 0.628 19613 981 1 3 . 1 1 63 63 LYS H H 63 8.880 8.880 8.866 0.014 19613 982 1 3 . 1 1 64 64 THR N N 64 117.560 117.560 118.962 -1.402 19613 983 1 3 . 1 1 64 64 THR HA H 64 4.760 4.760 4.488 0.272 19613 984 1 3 . 1 1 64 64 THR C C 64 173.870 173.870 173.991 -0.121 19613 985 1 3 . 1 1 64 64 THR CA C 64 62.120 62.120 62.523 -0.403 19613 986 1 3 . 1 1 64 64 THR CB C 64 69.740 69.740 69.331 0.409 19613 987 1 3 . 1 1 64 64 THR H H 64 8.410 8.410 8.422 -0.012 19613 988 1 3 . 1 1 65 65 TYR N N 65 127.630 127.630 128.565 -0.935 19613 989 1 3 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.607 0.103 19613 990 1 3 . 1 1 65 65 TYR C C 65 175.780 175.780 175.946 -0.166 19613 991 1 3 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.954 -0.424 19613 992 1 3 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.378 1.842 19613 993 1 3 . 1 1 65 65 TYR H H 65 8.770 8.770 9.008 -0.238 19613 994 1 3 . 1 1 67 67 LYS N N 67 120.220 120.220 124.408 -4.188 19613 995 1 3 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.418 -0.218 19613 996 1 3 . 1 1 67 67 LYS C C 67 175.890 175.890 176.064 -0.174 19613 997 1 3 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.191 0.109 19613 998 1 3 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.145 -0.965 19613 999 1 3 . 1 1 67 67 LYS H H 67 8.110 8.110 8.603 -0.493 19613 1000 1 3 . 1 1 68 68 GLN N N 68 119.090 119.090 119.816 -0.726 19613 1001 1 3 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.627 0.053 19613 1002 1 3 . 1 1 68 68 GLN C C 68 174.080 174.080 174.574 -0.494 19613 1003 1 3 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.507 0.293 19613 1004 1 3 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.286 0.304 19613 1005 1 3 . 1 1 68 68 GLN H H 68 7.920 7.920 7.620 0.300 19613 1006 1 3 . 1 1 69 69 LYS N N 69 123.400 123.400 120.377 3.023 19613 1007 1 3 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.350 -0.610 19613 1008 1 3 . 1 1 69 69 LYS C C 69 175.820 175.820 175.806 0.014 19613 1009 1 3 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.094 0.996 19613 1010 1 3 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.889 -1.979 19613 1011 1 3 . 1 1 69 69 LYS H H 69 8.370 8.370 8.554 -0.184 19613 1012 1 3 . 1 1 70 70 ILE N N 70 120.640 120.640 121.108 -0.468 19613 1013 1 3 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.477 0.083 19613 1014 1 3 . 1 1 70 70 ILE C C 70 173.330 173.330 174.329 -0.999 19613 1015 1 3 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.506 -1.456 19613 1016 1 3 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.112 -0.432 19613 1017 1 3 . 1 1 70 70 ILE H H 70 8.780 8.780 8.630 0.150 19613 1018 1 3 . 1 1 71 71 TYR N N 71 120.200 120.200 125.030 -4.830 19613 1019 1 3 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.716 -0.126 19613 1020 1 3 . 1 1 71 71 TYR C C 71 175.840 175.840 175.436 0.404 19613 1021 1 3 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.039 0.771 19613 1022 1 3 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.549 0.971 19613 1023 1 3 . 1 1 71 71 TYR H H 71 8.810 8.810 9.191 -0.381 19613 1024 1 3 . 1 1 72 72 PHE N N 72 113.950 113.950 116.255 -2.305 19613 1025 1 3 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.192 -0.192 19613 1026 1 3 . 1 1 72 72 PHE C C 72 172.950 172.950 173.515 -0.565 19613 1027 1 3 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.809 -0.099 19613 1028 1 3 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.039 -1.989 19613 1029 1 3 . 1 1 72 72 PHE H H 72 8.470 8.470 8.815 -0.345 19613 1030 1 3 . 1 1 73 73 ALA N N 73 123.890 123.890 123.925 -0.035 19613 1031 1 3 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.271 0.269 19613 1032 1 3 . 1 1 73 73 ALA C C 73 176.090 176.090 176.685 -0.595 19613 1033 1 3 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.336 -0.866 19613 1034 1 3 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.507 0.473 19613 1035 1 3 . 1 1 73 73 ALA H H 73 8.850 8.850 8.865 -0.015 19613 1036 1 4 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.163 -0.203 19613 1037 1 4 . 1 1 13 13 PRO C C 13 177.740 177.740 179.088 -1.348 19613 1038 1 4 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.138 0.842 19613 1039 1 4 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.966 -0.546 19613 1040 1 4 . 1 1 14 14 GLY N N 14 103.910 103.910 105.878 -1.968 19613 1041 1 4 . 1 1 14 14 GLY C C 14 176.450 176.450 176.519 -0.069 19613 1042 1 4 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.736 0.464 19613 1043 1 4 . 1 1 14 14 GLY H H 14 7.620 7.620 8.318 -0.698 19613 1044 1 4 . 1 1 15 15 ILE N N 15 122.900 122.900 123.353 -0.453 19613 1045 1 4 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.564 -0.094 19613 1046 1 4 . 1 1 15 15 ILE C C 15 178.810 178.810 177.957 0.853 19613 1047 1 4 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.350 -0.611 19613 1048 1 4 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.797 0.983 19613 1049 1 4 . 1 1 15 15 ILE H H 15 7.660 7.660 7.651 0.009 19613 1050 1 4 . 1 1 16 16 ILE N N 16 120.300 120.300 119.817 0.483 19613 1051 1 4 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.716 -0.386 19613 1052 1 4 . 1 1 16 16 ILE C C 16 176.680 176.680 177.987 -1.307 19613 1053 1 4 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.397 0.053 19613 1054 1 4 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.870 0.000 19613 1055 1 4 . 1 1 16 16 ILE H H 16 8.130 8.130 8.382 -0.252 19613 1056 1 4 . 1 1 17 17 LEU N N 17 120.680 120.680 121.150 -0.470 19613 1057 1 4 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.987 -0.127 19613 1058 1 4 . 1 1 17 17 LEU C C 17 177.830 177.830 178.446 -0.616 19613 1059 1 4 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.456 0.104 19613 1060 1 4 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.567 0.073 19613 1061 1 4 . 1 1 17 17 LEU H H 17 8.560 8.560 8.245 0.315 19613 1062 1 4 . 1 1 18 18 ARG N N 18 116.160 116.160 118.831 -2.671 19613 1063 1 4 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.940 0.140 19613 1064 1 4 . 1 1 18 18 ARG C C 18 178.250 178.250 178.245 0.005 19613 1065 1 4 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.650 -0.330 19613 1066 1 4 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.100 -0.510 19613 1067 1 4 . 1 1 18 18 ARG H H 18 7.580 7.580 7.917 -0.337 19613 1068 1 4 . 1 1 19 19 TYR N N 19 119.280 119.280 121.292 -2.012 19613 1069 1 4 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.208 0.142 19613 1070 1 4 . 1 1 19 19 TYR C C 19 177.480 177.480 177.876 -0.396 19613 1071 1 4 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.552 0.008 19613 1072 1 4 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.342 0.058 19613 1073 1 4 . 1 1 19 19 TYR H H 19 7.820 7.820 8.205 -0.385 19613 1074 1 4 . 1 1 20 20 LEU N N 20 117.650 117.650 117.962 -0.312 19613 1075 1 4 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.920 0.000 19613 1076 1 4 . 1 1 20 20 LEU C C 20 181.270 181.270 179.462 1.808 19613 1077 1 4 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.106 1.244 19613 1078 1 4 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.602 0.028 19613 1079 1 4 . 1 1 20 20 LEU H H 20 8.610 8.610 8.775 -0.165 19613 1080 1 4 . 1 1 21 21 GLN N N 21 119.530 119.530 119.830 -0.300 19613 1081 1 4 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.127 -0.207 19613 1082 1 4 . 1 1 21 21 GLN C C 21 177.950 177.950 177.981 -0.031 19613 1083 1 4 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.395 0.445 19613 1084 1 4 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.491 -0.091 19613 1085 1 4 . 1 1 21 21 GLN H H 21 8.630 8.630 8.239 0.391 19613 1086 1 4 . 1 1 22 22 GLU N N 22 118.500 118.500 118.717 -0.217 19613 1087 1 4 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.131 -0.121 19613 1088 1 4 . 1 1 22 22 GLU C C 22 178.790 178.790 178.457 0.333 19613 1089 1 4 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.166 0.464 19613 1090 1 4 . 1 1 22 22 GLU CB C 22 29.870 29.870 30.042 -0.172 19613 1091 1 4 . 1 1 22 22 GLU H H 22 8.260 8.260 8.157 0.103 19613 1092 1 4 . 1 1 23 23 GLN N N 23 115.130 115.130 117.473 -2.343 19613 1093 1 4 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.233 -0.263 19613 1094 1 4 . 1 1 23 23 GLN C C 23 177.150 177.150 176.730 0.420 19613 1095 1 4 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.531 -0.031 19613 1096 1 4 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.162 1.188 19613 1097 1 4 . 1 1 23 23 GLN H H 23 8.110 8.110 7.845 0.265 19613 1098 1 4 . 1 1 24 24 ASN N N 24 113.770 113.770 116.923 -3.153 19613 1099 1 4 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.391 0.159 19613 1100 1 4 . 1 1 24 24 ASN C C 24 173.280 173.280 173.905 -0.625 19613 1101 1 4 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.063 -0.203 19613 1102 1 4 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.498 0.342 19613 1103 1 4 . 1 1 24 24 ASN H H 24 8.000 8.000 8.174 -0.173 19613 1104 1 4 . 1 1 25 25 ARG N N 25 113.220 113.220 118.787 -5.567 19613 1105 1 4 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.530 0.200 19613 1106 1 4 . 1 1 25 25 ARG C C 25 172.740 172.740 173.266 -0.526 19613 1107 1 4 . 1 1 25 25 ARG CA C 25 53.390 53.390 53.118 0.272 19613 1108 1 4 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.625 -1.125 19613 1109 1 4 . 1 1 25 25 ARG H H 25 7.100 7.100 7.793 -0.693 19613 1110 1 4 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.661 0.639 19613 1111 1 4 . 1 1 26 26 PRO CA C 26 61.330 61.330 63.035 -1.705 19613 1112 1 4 . 1 1 26 26 PRO CB C 26 32.690 32.690 31.659 1.031 19613 1113 1 4 . 1 1 27 27 TYR N N 27 118.560 118.560 124.634 -6.074 19613 1114 1 4 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.808 0.352 19613 1115 1 4 . 1 1 27 27 TYR C C 27 175.960 175.960 176.022 -0.062 19613 1116 1 4 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.858 0.762 19613 1117 1 4 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.676 3.154 19613 1118 1 4 . 1 1 27 27 TYR H H 27 9.040 9.040 9.105 -0.065 19613 1119 1 4 . 1 1 28 28 SER N N 28 117.540 117.540 119.010 -1.470 19613 1120 1 4 . 1 1 28 28 SER HA H 28 5.290 5.290 5.072 0.218 19613 1121 1 4 . 1 1 28 28 SER C C 28 175.120 175.120 176.167 -1.047 19613 1122 1 4 . 1 1 28 28 SER CA C 28 56.790 56.790 57.581 -0.791 19613 1123 1 4 . 1 1 28 28 SER CB C 28 65.290 65.290 65.115 0.175 19613 1124 1 4 . 1 1 28 28 SER H H 28 9.590 9.590 9.276 0.314 19613 1125 1 4 . 1 1 29 29 ALA N N 29 122.480 122.480 123.594 -1.114 19613 1126 1 4 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.078 -0.188 19613 1127 1 4 . 1 1 29 29 ALA C C 29 179.570 179.570 180.033 -0.463 19613 1128 1 4 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.750 -0.060 19613 1129 1 4 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.659 0.281 19613 1130 1 4 . 1 1 29 29 ALA H H 29 9.830 9.830 8.854 0.976 19613 1131 1 4 . 1 1 30 30 GLN N N 30 116.680 116.680 117.498 -0.818 19613 1132 1 4 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.158 -0.158 19613 1133 1 4 . 1 1 30 30 GLN C C 30 178.110 178.110 178.469 -0.359 19613 1134 1 4 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.884 0.136 19613 1135 1 4 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.638 -0.728 19613 1136 1 4 . 1 1 30 30 GLN H H 30 8.580 8.580 8.467 0.113 19613 1137 1 4 . 1 1 31 31 ASP N N 31 120.540 120.540 121.622 -1.082 19613 1138 1 4 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.500 0.070 19613 1139 1 4 . 1 1 31 31 ASP C C 31 178.000 178.000 178.973 -0.973 19613 1140 1 4 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.525 -0.455 19613 1141 1 4 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.757 0.253 19613 1142 1 4 . 1 1 31 31 ASP H H 31 7.950 7.950 8.245 -0.295 19613 1143 1 4 . 1 1 32 32 VAL N N 32 120.050 120.050 119.695 0.355 19613 1144 1 4 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.466 -0.356 19613 1145 1 4 . 1 1 32 32 VAL C C 32 176.700 176.700 177.706 -1.006 19613 1146 1 4 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.140 1.540 19613 1147 1 4 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.860 -0.850 19613 1148 1 4 . 1 1 32 32 VAL H H 32 8.220 8.220 8.364 -0.144 19613 1149 1 4 . 1 1 33 33 PHE N N 33 116.980 116.980 121.420 -4.440 19613 1150 1 4 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.115 0.015 19613 1151 1 4 . 1 1 33 33 PHE C C 33 177.340 177.340 177.266 0.074 19613 1152 1 4 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.242 -1.062 19613 1153 1 4 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.673 -0.253 19613 1154 1 4 . 1 1 33 33 PHE H H 33 8.290 8.290 7.868 0.422 19613 1155 1 4 . 1 1 34 34 GLY N N 34 105.970 105.970 105.652 0.318 19613 1156 1 4 . 1 1 34 34 GLY C C 34 176.440 176.440 175.996 0.444 19613 1157 1 4 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.030 -0.270 19613 1158 1 4 . 1 1 34 34 GLY H H 34 8.560 8.560 8.530 0.030 19613 1159 1 4 . 1 1 35 35 ASN N N 35 119.330 119.330 120.026 -0.696 19613 1160 1 4 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.478 0.022 19613 1161 1 4 . 1 1 35 35 ASN C C 35 177.080 177.080 177.100 -0.020 19613 1162 1 4 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.118 -0.538 19613 1163 1 4 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.401 -0.691 19613 1164 1 4 . 1 1 35 35 ASN H H 35 8.270 8.270 7.973 0.297 19613 1165 1 4 . 1 1 36 36 LEU N N 36 117.960 117.960 118.865 -0.905 19613 1166 1 4 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.349 0.131 19613 1167 1 4 . 1 1 36 36 LEU C C 36 177.990 177.990 178.284 -0.294 19613 1168 1 4 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.565 -0.475 19613 1169 1 4 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.524 0.746 19613 1170 1 4 . 1 1 36 36 LEU H H 36 7.450 7.450 7.838 -0.388 19613 1171 1 4 . 1 1 37 37 GLN N N 37 121.190 121.190 121.217 -0.027 19613 1172 1 4 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.826 0.024 19613 1173 1 4 . 1 1 37 37 GLN C C 37 178.240 178.240 177.999 0.241 19613 1174 1 4 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.312 0.968 19613 1175 1 4 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.147 -0.167 19613 1176 1 4 . 1 1 37 37 GLN H H 37 7.310 7.310 8.136 -0.826 19613 1177 1 4 . 1 1 38 38 LYS N N 38 119.590 119.590 117.705 1.885 19613 1178 1 4 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.139 -0.279 19613 1179 1 4 . 1 1 38 38 LYS C C 38 178.090 178.090 178.169 -0.079 19613 1180 1 4 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.348 1.052 19613 1181 1 4 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.474 -0.774 19613 1182 1 4 . 1 1 38 38 LYS H H 38 8.500 8.500 7.573 0.927 19613 1183 1 4 . 1 1 39 39 GLU N N 39 116.720 116.720 117.092 -0.372 19613 1184 1 4 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.134 -0.214 19613 1185 1 4 . 1 1 39 39 GLU C C 39 176.580 176.580 177.338 -0.758 19613 1186 1 4 . 1 1 39 39 GLU CA C 39 58.250 58.250 57.913 0.336 19613 1187 1 4 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.404 0.076 19613 1188 1 4 . 1 1 39 39 GLU H H 39 8.290 8.290 8.135 0.155 19613 1189 1 4 . 1 1 40 40 HIS N N 40 112.640 112.640 115.135 -2.495 19613 1190 1 4 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.726 -0.016 19613 1191 1 4 . 1 1 40 40 HIS C C 40 176.970 176.970 175.640 1.330 19613 1192 1 4 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.356 0.274 19613 1193 1 4 . 1 1 40 40 HIS CB C 40 32.970 32.970 32.145 0.825 19613 1194 1 4 . 1 1 40 40 HIS H H 40 7.640 7.640 7.953 -0.313 19613 1195 1 4 . 1 1 41 41 GLY N N 41 108.210 108.210 108.738 -0.528 19613 1196 1 4 . 1 1 41 41 GLY C C 41 174.560 174.560 174.214 0.346 19613 1197 1 4 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.432 1.748 19613 1198 1 4 . 1 1 41 41 GLY H H 41 8.100 8.100 8.208 -0.108 19613 1199 1 4 . 1 1 42 42 LEU N N 42 117.300 117.300 121.475 -4.175 19613 1200 1 4 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.406 -0.096 19613 1201 1 4 . 1 1 42 42 LEU C C 42 177.790 177.790 177.611 0.179 19613 1202 1 4 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.792 -0.382 19613 1203 1 4 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.481 0.339 19613 1204 1 4 . 1 1 42 42 LEU H H 42 6.850 6.850 7.234 -0.384 19613 1205 1 4 . 1 1 43 43 GLY N N 43 109.450 109.450 109.008 0.442 19613 1206 1 4 . 1 1 43 43 GLY C C 43 173.630 173.630 174.781 -1.151 19613 1207 1 4 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.539 -0.199 19613 1208 1 4 . 1 1 43 43 GLY H H 43 8.690 8.690 8.241 0.449 19613 1209 1 4 . 1 1 44 44 LYS N N 44 123.130 123.130 121.130 2.000 19613 1210 1 4 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.492 -0.312 19613 1211 1 4 . 1 1 44 44 LYS C C 44 177.960 177.960 178.650 -0.690 19613 1212 1 4 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.242 1.208 19613 1213 1 4 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.103 -1.153 19613 1214 1 4 . 1 1 44 44 LYS H H 44 8.320 8.320 8.729 -0.409 19613 1215 1 4 . 1 1 45 45 ALA N N 45 119.150 119.150 121.487 -2.337 19613 1216 1 4 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.123 -0.153 19613 1217 1 4 . 1 1 45 45 ALA C C 45 180.320 180.320 179.461 0.859 19613 1218 1 4 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.678 0.302 19613 1219 1 4 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.874 -0.494 19613 1220 1 4 . 1 1 45 45 ALA H H 45 8.360 8.360 8.383 -0.023 19613 1221 1 4 . 1 1 46 46 ALA N N 46 120.560 120.560 122.042 -1.482 19613 1222 1 4 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.101 -0.071 19613 1223 1 4 . 1 1 46 46 ALA C C 46 180.760 180.760 180.158 0.602 19613 1224 1 4 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.777 -0.247 19613 1225 1 4 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.201 -0.131 19613 1226 1 4 . 1 1 46 46 ALA H H 46 7.530 7.530 8.286 -0.756 19613 1227 1 4 . 1 1 47 47 VAL N N 47 120.280 120.280 118.871 1.409 19613 1228 1 4 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.541 -0.161 19613 1229 1 4 . 1 1 47 47 VAL C C 47 176.860 176.860 177.977 -1.117 19613 1230 1 4 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.618 0.102 19613 1231 1 4 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.938 -0.518 19613 1232 1 4 . 1 1 47 47 VAL H H 47 7.910 7.910 7.944 -0.034 19613 1233 1 4 . 1 1 48 48 VAL N N 48 119.370 119.370 119.731 -0.361 19613 1234 1 4 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.467 -0.117 19613 1235 1 4 . 1 1 48 48 VAL C C 48 178.200 178.200 177.730 0.470 19613 1236 1 4 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.068 -0.208 19613 1237 1 4 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.366 0.614 19613 1238 1 4 . 1 1 48 48 VAL H H 48 8.240 8.240 7.940 0.300 19613 1239 1 4 . 1 1 49 49 LYS N N 49 117.640 117.640 119.069 -1.429 19613 1240 1 4 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.998 0.082 19613 1241 1 4 . 1 1 49 49 LYS C C 49 178.920 178.920 178.936 -0.016 19613 1242 1 4 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.562 -0.572 19613 1243 1 4 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.172 0.348 19613 1244 1 4 . 1 1 49 49 LYS H H 49 7.830 7.830 8.270 -0.440 19613 1245 1 4 . 1 1 50 50 ALA N N 50 120.810 120.810 122.948 -2.138 19613 1246 1 4 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.100 -0.040 19613 1247 1 4 . 1 1 50 50 ALA C C 50 179.390 179.390 179.624 -0.234 19613 1248 1 4 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.933 -0.133 19613 1249 1 4 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.052 0.948 19613 1250 1 4 . 1 1 50 50 ALA H H 50 7.920 7.920 7.857 0.063 19613 1251 1 4 . 1 1 51 51 LEU N N 51 118.510 118.510 119.298 -0.788 19613 1252 1 4 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.637 -0.077 19613 1253 1 4 . 1 1 51 51 LEU C C 51 177.800 177.800 178.767 -0.967 19613 1254 1 4 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.156 0.054 19613 1255 1 4 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.087 -0.797 19613 1256 1 4 . 1 1 51 51 LEU H H 51 8.210 8.210 8.184 0.026 19613 1257 1 4 . 1 1 52 52 ASP N N 52 116.940 116.940 118.401 -1.461 19613 1258 1 4 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.541 -0.021 19613 1259 1 4 . 1 1 52 52 ASP C C 52 178.800 178.800 179.050 -0.250 19613 1260 1 4 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.947 0.453 19613 1261 1 4 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.255 0.655 19613 1262 1 4 . 1 1 52 52 ASP H H 52 7.710 7.710 7.850 -0.140 19613 1263 1 4 . 1 1 53 53 GLN N N 53 120.360 120.360 120.580 -0.220 19613 1264 1 4 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.126 -0.146 19613 1265 1 4 . 1 1 53 53 GLN C C 53 178.310 178.310 178.421 -0.111 19613 1266 1 4 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.453 0.916 19613 1267 1 4 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.342 -0.002 19613 1268 1 4 . 1 1 53 53 GLN H H 53 8.200 8.200 8.018 0.182 19613 1269 1 4 . 1 1 54 54 LEU N N 54 118.990 118.990 119.620 -0.630 19613 1270 1 4 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.004 -0.024 19613 1271 1 4 . 1 1 54 54 LEU C C 54 179.660 179.660 178.943 0.717 19613 1272 1 4 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.841 -0.091 19613 1273 1 4 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.667 1.772 19613 1274 1 4 . 1 1 54 54 LEU H H 54 8.500 8.500 8.423 0.077 19613 1275 1 4 . 1 1 55 55 ALA N N 55 122.270 122.270 120.805 1.465 19613 1276 1 4 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.405 -0.035 19613 1277 1 4 . 1 1 55 55 ALA C C 55 181.940 181.940 179.775 2.165 19613 1278 1 4 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.434 0.276 19613 1279 1 4 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.563 -0.973 19613 1280 1 4 . 1 1 55 55 ALA H H 55 8.350 8.350 7.939 0.411 19613 1281 1 4 . 1 1 56 56 GLN N N 56 122.320 122.320 118.265 4.055 19613 1282 1 4 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.099 -0.029 19613 1283 1 4 . 1 1 56 56 GLN C C 56 178.840 178.840 178.263 0.577 19613 1284 1 4 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.004 1.176 19613 1285 1 4 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.676 -0.626 19613 1286 1 4 . 1 1 56 56 GLN H H 56 8.610 8.610 8.024 0.586 19613 1287 1 4 . 1 1 57 57 GLU N N 57 115.890 115.890 116.091 -0.201 19613 1288 1 4 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.266 -0.046 19613 1289 1 4 . 1 1 57 57 GLU C C 57 177.000 177.000 177.015 -0.015 19613 1290 1 4 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.492 0.188 19613 1291 1 4 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.236 0.554 19613 1292 1 4 . 1 1 57 57 GLU H H 57 8.060 8.060 7.823 0.237 19613 1293 1 4 . 1 1 58 58 GLY N N 58 107.440 107.440 106.464 0.976 19613 1294 1 4 . 1 1 58 58 GLY C C 58 174.340 174.340 175.288 -0.948 19613 1295 1 4 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.492 0.088 19613 1296 1 4 . 1 1 58 58 GLY H H 58 7.920 7.920 7.793 0.127 19613 1297 1 4 . 1 1 59 59 LYS N N 59 118.190 118.190 119.109 -0.919 19613 1298 1 4 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.388 -0.228 19613 1299 1 4 . 1 1 59 59 LYS C C 59 176.150 176.150 176.411 -0.261 19613 1300 1 4 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.100 0.690 19613 1301 1 4 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.392 0.788 19613 1302 1 4 . 1 1 59 59 LYS H H 59 8.170 8.170 8.626 -0.456 19613 1303 1 4 . 1 1 60 60 ILE N N 60 107.860 107.860 112.977 -5.117 19613 1304 1 4 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.448 0.122 19613 1305 1 4 . 1 1 60 60 ILE C C 60 172.900 172.900 174.109 -1.209 19613 1306 1 4 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.264 -0.724 19613 1307 1 4 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.458 -0.548 19613 1308 1 4 . 1 1 60 60 ILE H H 60 7.140 7.140 7.284 -0.144 19613 1309 1 4 . 1 1 61 61 LYS N N 61 119.750 119.750 121.718 -1.968 19613 1310 1 4 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.536 -0.126 19613 1311 1 4 . 1 1 61 61 LYS C C 61 173.930 173.930 174.652 -0.722 19613 1312 1 4 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.879 -0.619 19613 1313 1 4 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.791 -0.121 19613 1314 1 4 . 1 1 61 61 LYS H H 61 8.670 8.670 8.420 0.250 19613 1315 1 4 . 1 1 62 62 GLU N N 62 117.580 117.580 119.623 -2.043 19613 1316 1 4 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.092 0.048 19613 1317 1 4 . 1 1 62 62 GLU C C 62 175.630 175.630 175.030 0.600 19613 1318 1 4 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.369 -0.789 19613 1319 1 4 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.933 0.977 19613 1320 1 4 . 1 1 62 62 GLU H H 62 8.130 8.130 8.253 -0.123 19613 1321 1 4 . 1 1 63 63 LYS N N 63 122.890 122.890 122.992 -0.102 19613 1322 1 4 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.637 -0.087 19613 1323 1 4 . 1 1 63 63 LYS C C 63 174.510 174.510 175.239 -0.729 19613 1324 1 4 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.906 0.104 19613 1325 1 4 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.182 0.098 19613 1326 1 4 . 1 1 63 63 LYS H H 63 8.880 8.880 8.791 0.089 19613 1327 1 4 . 1 1 64 64 THR N N 64 117.560 117.560 118.584 -1.024 19613 1328 1 4 . 1 1 64 64 THR HA H 64 4.760 4.760 4.570 0.190 19613 1329 1 4 . 1 1 64 64 THR C C 64 173.870 173.870 173.924 -0.054 19613 1330 1 4 . 1 1 64 64 THR CA C 64 62.120 62.120 62.129 -0.009 19613 1331 1 4 . 1 1 64 64 THR CB C 64 69.740 69.740 69.638 0.102 19613 1332 1 4 . 1 1 64 64 THR H H 64 8.410 8.410 8.378 0.032 19613 1333 1 4 . 1 1 65 65 TYR N N 65 127.630 127.630 128.268 -0.638 19613 1334 1 4 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.621 0.089 19613 1335 1 4 . 1 1 65 65 TYR C C 65 175.780 175.780 175.996 -0.216 19613 1336 1 4 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.894 -0.364 19613 1337 1 4 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.314 1.906 19613 1338 1 4 . 1 1 65 65 TYR H H 65 8.770 8.770 9.168 -0.398 19613 1339 1 4 . 1 1 67 67 LYS N N 67 120.220 120.220 124.523 -4.303 19613 1340 1 4 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.421 -0.221 19613 1341 1 4 . 1 1 67 67 LYS C C 67 175.890 175.890 175.940 -0.050 19613 1342 1 4 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.193 0.107 19613 1343 1 4 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.150 -0.970 19613 1344 1 4 . 1 1 67 67 LYS H H 67 8.110 8.110 8.591 -0.481 19613 1345 1 4 . 1 1 68 68 GLN N N 68 119.090 119.090 119.982 -0.892 19613 1346 1 4 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.634 0.046 19613 1347 1 4 . 1 1 68 68 GLN C C 68 174.080 174.080 174.527 -0.447 19613 1348 1 4 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.538 0.262 19613 1349 1 4 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.314 0.276 19613 1350 1 4 . 1 1 68 68 GLN H H 68 7.920 7.920 7.680 0.240 19613 1351 1 4 . 1 1 69 69 LYS N N 69 123.400 123.400 121.243 2.157 19613 1352 1 4 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.239 -0.499 19613 1353 1 4 . 1 1 69 69 LYS C C 69 175.820 175.820 175.298 0.522 19613 1354 1 4 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.364 0.726 19613 1355 1 4 . 1 1 69 69 LYS CB C 69 33.910 33.910 36.035 -2.125 19613 1356 1 4 . 1 1 69 69 LYS H H 69 8.370 8.370 8.652 -0.282 19613 1357 1 4 . 1 1 70 70 ILE N N 70 120.640 120.640 121.013 -0.373 19613 1358 1 4 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.778 -0.218 19613 1359 1 4 . 1 1 70 70 ILE C C 70 173.330 173.330 174.318 -0.988 19613 1360 1 4 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.393 -1.343 19613 1361 1 4 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.153 -0.472 19613 1362 1 4 . 1 1 70 70 ILE H H 70 8.780 8.780 8.753 0.027 19613 1363 1 4 . 1 1 71 71 TYR N N 71 120.200 120.200 124.977 -4.777 19613 1364 1 4 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.555 0.035 19613 1365 1 4 . 1 1 71 71 TYR C C 71 175.840 175.840 175.173 0.667 19613 1366 1 4 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.996 0.814 19613 1367 1 4 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.769 0.751 19613 1368 1 4 . 1 1 71 71 TYR H H 71 8.810 8.810 9.355 -0.545 19613 1369 1 4 . 1 1 72 72 PHE N N 72 113.950 113.950 116.209 -2.259 19613 1370 1 4 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.130 -0.130 19613 1371 1 4 . 1 1 72 72 PHE C C 72 172.950 172.950 173.305 -0.355 19613 1372 1 4 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.281 -0.571 19613 1373 1 4 . 1 1 72 72 PHE CB C 72 40.050 40.050 41.896 -1.846 19613 1374 1 4 . 1 1 72 72 PHE H H 72 8.470 8.470 8.856 -0.386 19613 1375 1 4 . 1 1 73 73 ALA N N 73 123.890 123.890 122.764 1.126 19613 1376 1 4 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.325 0.215 19613 1377 1 4 . 1 1 73 73 ALA C C 73 176.090 176.090 176.203 -0.113 19613 1378 1 4 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.699 -0.229 19613 1379 1 4 . 1 1 73 73 ALA CB C 73 19.980 19.980 20.187 -0.207 19613 1380 1 4 . 1 1 73 73 ALA H H 73 8.850 8.850 8.813 0.037 19613 1381 1 5 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.159 -0.199 19613 1382 1 5 . 1 1 13 13 PRO C C 13 177.740 177.740 179.074 -1.334 19613 1383 1 5 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.149 0.831 19613 1384 1 5 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.962 -0.542 19613 1385 1 5 . 1 1 14 14 GLY N N 14 103.910 103.910 105.837 -1.927 19613 1386 1 5 . 1 1 14 14 GLY C C 14 176.450 176.450 176.535 -0.085 19613 1387 1 5 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.717 0.484 19613 1388 1 5 . 1 1 14 14 GLY H H 14 7.620 7.620 8.400 -0.780 19613 1389 1 5 . 1 1 15 15 ILE N N 15 122.900 122.900 123.379 -0.479 19613 1390 1 5 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.560 -0.090 19613 1391 1 5 . 1 1 15 15 ILE C C 15 178.810 178.810 177.956 0.854 19613 1392 1 5 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.354 -0.614 19613 1393 1 5 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.793 0.987 19613 1394 1 5 . 1 1 15 15 ILE H H 15 7.660 7.660 7.724 -0.064 19613 1395 1 5 . 1 1 16 16 ILE N N 16 120.300 120.300 119.863 0.437 19613 1396 1 5 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.687 -0.357 19613 1397 1 5 . 1 1 16 16 ILE C C 16 176.680 176.680 177.978 -1.298 19613 1398 1 5 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.420 0.030 19613 1399 1 5 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.870 -0.000 19613 1400 1 5 . 1 1 16 16 ILE H H 16 8.130 8.130 8.294 -0.164 19613 1401 1 5 . 1 1 17 17 LEU N N 17 120.680 120.680 121.053 -0.373 19613 1402 1 5 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.961 -0.101 19613 1403 1 5 . 1 1 17 17 LEU C C 17 177.830 177.830 178.351 -0.521 19613 1404 1 5 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.541 0.019 19613 1405 1 5 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.533 0.107 19613 1406 1 5 . 1 1 17 17 LEU H H 17 8.560 8.560 8.227 0.333 19613 1407 1 5 . 1 1 18 18 ARG N N 18 116.160 116.160 118.338 -2.178 19613 1408 1 5 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.951 0.129 19613 1409 1 5 . 1 1 18 18 ARG C C 18 178.250 178.250 178.471 -0.221 19613 1410 1 5 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.406 -0.085 19613 1411 1 5 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.976 -0.386 19613 1412 1 5 . 1 1 18 18 ARG H H 18 7.580 7.580 7.953 -0.373 19613 1413 1 5 . 1 1 19 19 TYR N N 19 119.280 119.280 121.146 -1.866 19613 1414 1 5 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.200 0.150 19613 1415 1 5 . 1 1 19 19 TYR C C 19 177.480 177.480 177.866 -0.386 19613 1416 1 5 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.449 0.112 19613 1417 1 5 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.276 0.124 19613 1418 1 5 . 1 1 19 19 TYR H H 19 7.820 7.820 8.089 -0.269 19613 1419 1 5 . 1 1 20 20 LEU N N 20 117.650 117.650 118.475 -0.825 19613 1420 1 5 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.828 0.092 19613 1421 1 5 . 1 1 20 20 LEU C C 20 181.270 181.270 179.578 1.692 19613 1422 1 5 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.584 0.766 19613 1423 1 5 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.675 -0.045 19613 1424 1 5 . 1 1 20 20 LEU H H 20 8.610 8.610 8.703 -0.093 19613 1425 1 5 . 1 1 21 21 GLN N N 21 119.530 119.530 118.711 0.819 19613 1426 1 5 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.080 -0.160 19613 1427 1 5 . 1 1 21 21 GLN C C 21 177.950 177.950 178.255 -0.305 19613 1428 1 5 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.747 0.093 19613 1429 1 5 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.846 -0.446 19613 1430 1 5 . 1 1 21 21 GLN H H 21 8.630 8.630 8.131 0.499 19613 1431 1 5 . 1 1 22 22 GLU N N 22 118.500 118.500 118.790 -0.290 19613 1432 1 5 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.097 -0.087 19613 1433 1 5 . 1 1 22 22 GLU C C 22 178.790 178.790 178.264 0.526 19613 1434 1 5 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.600 0.030 19613 1435 1 5 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.885 -0.015 19613 1436 1 5 . 1 1 22 22 GLU H H 22 8.260 8.260 8.063 0.197 19613 1437 1 5 . 1 1 23 23 GLN N N 23 115.130 115.130 116.885 -1.755 19613 1438 1 5 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.264 -0.294 19613 1439 1 5 . 1 1 23 23 GLN C C 23 177.150 177.150 176.680 0.470 19613 1440 1 5 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.127 0.373 19613 1441 1 5 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.184 1.166 19613 1442 1 5 . 1 1 23 23 GLN H H 23 8.110 8.110 7.821 0.289 19613 1443 1 5 . 1 1 24 24 ASN N N 24 113.770 113.770 115.955 -2.185 19613 1444 1 5 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.379 0.171 19613 1445 1 5 . 1 1 24 24 ASN C C 24 173.280 173.280 173.874 -0.594 19613 1446 1 5 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.139 -0.279 19613 1447 1 5 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.564 0.276 19613 1448 1 5 . 1 1 24 24 ASN H H 24 8.000 8.000 8.199 -0.199 19613 1449 1 5 . 1 1 25 25 ARG N N 25 113.220 113.220 116.890 -3.670 19613 1450 1 5 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.684 0.046 19613 1451 1 5 . 1 1 25 25 ARG C C 25 172.740 172.740 173.374 -0.634 19613 1452 1 5 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.540 0.850 19613 1453 1 5 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.034 -0.534 19613 1454 1 5 . 1 1 25 25 ARG H H 25 7.100 7.100 7.755 -0.655 19613 1455 1 5 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.693 0.607 19613 1456 1 5 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.402 -1.072 19613 1457 1 5 . 1 1 26 26 PRO CB C 26 32.690 32.690 31.957 0.733 19613 1458 1 5 . 1 1 27 27 TYR N N 27 118.560 118.560 123.649 -5.089 19613 1459 1 5 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.718 0.442 19613 1460 1 5 . 1 1 27 27 TYR C C 27 175.960 175.960 175.709 0.251 19613 1461 1 5 . 1 1 27 27 TYR CA C 27 57.620 57.620 57.006 0.614 19613 1462 1 5 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.312 3.518 19613 1463 1 5 . 1 1 27 27 TYR H H 27 9.040 9.040 8.944 0.096 19613 1464 1 5 . 1 1 28 28 SER N N 28 117.540 117.540 119.179 -1.639 19613 1465 1 5 . 1 1 28 28 SER HA H 28 5.290 5.290 5.116 0.174 19613 1466 1 5 . 1 1 28 28 SER C C 28 175.120 175.120 176.049 -0.929 19613 1467 1 5 . 1 1 28 28 SER CA C 28 56.790 56.790 57.624 -0.834 19613 1468 1 5 . 1 1 28 28 SER CB C 28 65.290 65.290 65.310 -0.020 19613 1469 1 5 . 1 1 28 28 SER H H 28 9.590 9.590 9.142 0.448 19613 1470 1 5 . 1 1 29 29 ALA N N 29 122.480 122.480 123.530 -1.050 19613 1471 1 5 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.100 -0.210 19613 1472 1 5 . 1 1 29 29 ALA C C 29 179.570 179.570 179.921 -0.351 19613 1473 1 5 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.809 -0.118 19613 1474 1 5 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.591 0.349 19613 1475 1 5 . 1 1 29 29 ALA H H 29 9.830 9.830 8.752 1.079 19613 1476 1 5 . 1 1 30 30 GLN N N 30 116.680 116.680 117.254 -0.574 19613 1477 1 5 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.231 -0.231 19613 1478 1 5 . 1 1 30 30 GLN C C 30 178.110 178.110 178.592 -0.482 19613 1479 1 5 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.777 0.243 19613 1480 1 5 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.718 -0.808 19613 1481 1 5 . 1 1 30 30 GLN H H 30 8.580 8.580 7.991 0.589 19613 1482 1 5 . 1 1 31 31 ASP N N 31 120.540 120.540 121.288 -0.748 19613 1483 1 5 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.564 0.006 19613 1484 1 5 . 1 1 31 31 ASP C C 31 178.000 178.000 178.829 -0.829 19613 1485 1 5 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.272 -0.202 19613 1486 1 5 . 1 1 31 31 ASP CB C 31 41.010 41.010 41.028 -0.018 19613 1487 1 5 . 1 1 31 31 ASP H H 31 7.950 7.950 7.702 0.248 19613 1488 1 5 . 1 1 32 32 VAL N N 32 120.050 120.050 120.072 -0.022 19613 1489 1 5 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.459 -0.349 19613 1490 1 5 . 1 1 32 32 VAL C C 32 176.700 176.700 177.716 -1.016 19613 1491 1 5 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.304 1.376 19613 1492 1 5 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.862 -0.852 19613 1493 1 5 . 1 1 32 32 VAL H H 32 8.220 8.220 8.441 -0.221 19613 1494 1 5 . 1 1 33 33 PHE N N 33 116.980 116.980 121.040 -4.060 19613 1495 1 5 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.138 -0.008 19613 1496 1 5 . 1 1 33 33 PHE C C 33 177.340 177.340 177.100 0.240 19613 1497 1 5 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.035 -0.855 19613 1498 1 5 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.620 -0.200 19613 1499 1 5 . 1 1 33 33 PHE H H 33 8.290 8.290 7.783 0.507 19613 1500 1 5 . 1 1 34 34 GLY N N 34 105.970 105.970 105.918 0.052 19613 1501 1 5 . 1 1 34 34 GLY C C 34 176.440 176.440 176.072 0.368 19613 1502 1 5 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.160 -0.401 19613 1503 1 5 . 1 1 34 34 GLY H H 34 8.560 8.560 8.314 0.246 19613 1504 1 5 . 1 1 35 35 ASN N N 35 119.330 119.330 120.103 -0.773 19613 1505 1 5 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.492 0.008 19613 1506 1 5 . 1 1 35 35 ASN C C 35 177.080 177.080 177.359 -0.279 19613 1507 1 5 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.120 -0.539 19613 1508 1 5 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.464 -0.754 19613 1509 1 5 . 1 1 35 35 ASN H H 35 8.270 8.270 7.935 0.335 19613 1510 1 5 . 1 1 36 36 LEU N N 36 117.960 117.960 119.703 -1.743 19613 1511 1 5 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.288 0.192 19613 1512 1 5 . 1 1 36 36 LEU C C 36 177.990 177.990 178.401 -0.411 19613 1513 1 5 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.843 -0.753 19613 1514 1 5 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.228 1.042 19613 1515 1 5 . 1 1 36 36 LEU H H 36 7.450 7.450 7.855 -0.405 19613 1516 1 5 . 1 1 37 37 GLN N N 37 121.190 121.190 120.649 0.541 19613 1517 1 5 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.888 -0.038 19613 1518 1 5 . 1 1 37 37 GLN C C 37 178.240 178.240 177.729 0.511 19613 1519 1 5 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.373 0.907 19613 1520 1 5 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.242 -0.263 19613 1521 1 5 . 1 1 37 37 GLN H H 37 7.310 7.310 8.146 -0.836 19613 1522 1 5 . 1 1 38 38 LYS N N 38 119.590 119.590 117.478 2.112 19613 1523 1 5 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.143 -0.283 19613 1524 1 5 . 1 1 38 38 LYS C C 38 178.090 178.090 178.128 -0.038 19613 1525 1 5 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.171 1.229 19613 1526 1 5 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.515 -0.815 19613 1527 1 5 . 1 1 38 38 LYS H H 38 8.500 8.500 7.729 0.771 19613 1528 1 5 . 1 1 39 39 GLU N N 39 116.720 116.720 117.503 -0.783 19613 1529 1 5 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.109 -0.189 19613 1530 1 5 . 1 1 39 39 GLU C C 39 176.580 176.580 177.648 -1.068 19613 1531 1 5 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.236 0.014 19613 1532 1 5 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.314 0.165 19613 1533 1 5 . 1 1 39 39 GLU H H 39 8.290 8.290 7.936 0.354 19613 1534 1 5 . 1 1 40 40 HIS N N 40 112.640 112.640 114.848 -2.208 19613 1535 1 5 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.730 -0.020 19613 1536 1 5 . 1 1 40 40 HIS C C 40 176.970 176.970 175.725 1.245 19613 1537 1 5 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.319 0.311 19613 1538 1 5 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.955 1.015 19613 1539 1 5 . 1 1 40 40 HIS H H 40 7.640 7.640 7.722 -0.082 19613 1540 1 5 . 1 1 41 41 GLY N N 41 108.210 108.210 108.387 -0.177 19613 1541 1 5 . 1 1 41 41 GLY C C 41 174.560 174.560 174.211 0.349 19613 1542 1 5 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.322 1.857 19613 1543 1 5 . 1 1 41 41 GLY H H 41 8.100 8.100 8.216 -0.116 19613 1544 1 5 . 1 1 42 42 LEU N N 42 117.300 117.300 121.642 -4.342 19613 1545 1 5 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.402 -0.092 19613 1546 1 5 . 1 1 42 42 LEU C C 42 177.790 177.790 177.639 0.151 19613 1547 1 5 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.866 -0.456 19613 1548 1 5 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.433 0.387 19613 1549 1 5 . 1 1 42 42 LEU H H 42 6.850 6.850 7.328 -0.478 19613 1550 1 5 . 1 1 43 43 GLY N N 43 109.450 109.450 109.421 0.029 19613 1551 1 5 . 1 1 43 43 GLY C C 43 173.630 173.630 174.655 -1.025 19613 1552 1 5 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.633 -0.292 19613 1553 1 5 . 1 1 43 43 GLY H H 43 8.690 8.690 8.353 0.337 19613 1554 1 5 . 1 1 44 44 LYS N N 44 123.130 123.130 121.990 1.140 19613 1555 1 5 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.297 -0.117 19613 1556 1 5 . 1 1 44 44 LYS C C 44 177.960 177.960 178.519 -0.559 19613 1557 1 5 . 1 1 44 44 LYS CA C 44 60.450 60.450 58.998 1.452 19613 1558 1 5 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.837 -0.887 19613 1559 1 5 . 1 1 44 44 LYS H H 44 8.320 8.320 8.660 -0.340 19613 1560 1 5 . 1 1 45 45 ALA N N 45 119.150 119.150 121.478 -2.328 19613 1561 1 5 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.098 -0.128 19613 1562 1 5 . 1 1 45 45 ALA C C 45 180.320 180.320 179.454 0.866 19613 1563 1 5 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.648 0.332 19613 1564 1 5 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.872 -0.492 19613 1565 1 5 . 1 1 45 45 ALA H H 45 8.360 8.360 8.337 0.023 19613 1566 1 5 . 1 1 46 46 ALA N N 46 120.560 120.560 122.002 -1.442 19613 1567 1 5 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.116 -0.086 19613 1568 1 5 . 1 1 46 46 ALA C C 46 180.760 180.760 180.097 0.663 19613 1569 1 5 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.664 -0.135 19613 1570 1 5 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.220 -0.150 19613 1571 1 5 . 1 1 46 46 ALA H H 46 7.530 7.530 8.157 -0.627 19613 1572 1 5 . 1 1 47 47 VAL N N 47 120.280 120.280 119.235 1.045 19613 1573 1 5 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.506 -0.126 19613 1574 1 5 . 1 1 47 47 VAL C C 47 176.860 176.860 177.948 -1.088 19613 1575 1 5 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.727 -0.007 19613 1576 1 5 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.902 -0.482 19613 1577 1 5 . 1 1 47 47 VAL H H 47 7.910 7.910 8.143 -0.233 19613 1578 1 5 . 1 1 48 48 VAL N N 48 119.370 119.370 119.543 -0.173 19613 1579 1 5 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.421 -0.071 19613 1580 1 5 . 1 1 48 48 VAL C C 48 178.200 178.200 177.583 0.617 19613 1581 1 5 . 1 1 48 48 VAL CA C 48 66.860 66.860 66.990 -0.130 19613 1582 1 5 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.350 0.630 19613 1583 1 5 . 1 1 48 48 VAL H H 48 8.240 8.240 8.103 0.137 19613 1584 1 5 . 1 1 49 49 LYS N N 49 117.640 117.640 120.031 -2.391 19613 1585 1 5 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.920 0.160 19613 1586 1 5 . 1 1 49 49 LYS C C 49 178.920 178.920 178.611 0.309 19613 1587 1 5 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.639 -0.649 19613 1588 1 5 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.328 0.192 19613 1589 1 5 . 1 1 49 49 LYS H H 49 7.830 7.830 8.108 -0.278 19613 1590 1 5 . 1 1 50 50 ALA N N 50 120.810 120.810 121.973 -1.163 19613 1591 1 5 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.071 -0.011 19613 1592 1 5 . 1 1 50 50 ALA C C 50 179.390 179.390 179.837 -0.447 19613 1593 1 5 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.870 -0.070 19613 1594 1 5 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.064 0.937 19613 1595 1 5 . 1 1 50 50 ALA H H 50 7.920 7.920 7.845 0.075 19613 1596 1 5 . 1 1 51 51 LEU N N 51 118.510 118.510 118.747 -0.237 19613 1597 1 5 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.631 -0.071 19613 1598 1 5 . 1 1 51 51 LEU C C 51 177.800 177.800 178.689 -0.889 19613 1599 1 5 . 1 1 51 51 LEU CA C 51 58.210 58.210 57.959 0.251 19613 1600 1 5 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.058 -0.768 19613 1601 1 5 . 1 1 51 51 LEU H H 51 8.210 8.210 8.249 -0.039 19613 1602 1 5 . 1 1 52 52 ASP N N 52 116.940 116.940 118.423 -1.483 19613 1603 1 5 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.619 -0.099 19613 1604 1 5 . 1 1 52 52 ASP C C 52 178.800 178.800 178.943 -0.143 19613 1605 1 5 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.838 0.562 19613 1606 1 5 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.501 0.409 19613 1607 1 5 . 1 1 52 52 ASP H H 52 7.710 7.710 7.789 -0.079 19613 1608 1 5 . 1 1 53 53 GLN N N 53 120.360 120.360 121.106 -0.746 19613 1609 1 5 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.130 -0.150 19613 1610 1 5 . 1 1 53 53 GLN C C 53 178.310 178.310 178.369 -0.059 19613 1611 1 5 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.422 0.948 19613 1612 1 5 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.328 0.012 19613 1613 1 5 . 1 1 53 53 GLN H H 53 8.200 8.200 8.090 0.110 19613 1614 1 5 . 1 1 54 54 LEU N N 54 118.990 118.990 119.447 -0.457 19613 1615 1 5 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.027 -0.047 19613 1616 1 5 . 1 1 54 54 LEU C C 54 179.660 179.660 178.875 0.785 19613 1617 1 5 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.767 -0.017 19613 1618 1 5 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.645 1.795 19613 1619 1 5 . 1 1 54 54 LEU H H 54 8.500 8.500 8.470 0.030 19613 1620 1 5 . 1 1 55 55 ALA N N 55 122.270 122.270 120.822 1.448 19613 1621 1 5 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.366 0.004 19613 1622 1 5 . 1 1 55 55 ALA C C 55 181.940 181.940 179.774 2.166 19613 1623 1 5 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.458 0.252 19613 1624 1 5 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.524 -0.934 19613 1625 1 5 . 1 1 55 55 ALA H H 55 8.350 8.350 7.768 0.582 19613 1626 1 5 . 1 1 56 56 GLN N N 56 122.320 122.320 118.267 4.053 19613 1627 1 5 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.105 -0.035 19613 1628 1 5 . 1 1 56 56 GLN C C 56 178.840 178.840 178.273 0.567 19613 1629 1 5 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.007 1.173 19613 1630 1 5 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.680 -0.630 19613 1631 1 5 . 1 1 56 56 GLN H H 56 8.610 8.610 7.941 0.669 19613 1632 1 5 . 1 1 57 57 GLU N N 57 115.890 115.890 116.167 -0.277 19613 1633 1 5 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.252 -0.032 19613 1634 1 5 . 1 1 57 57 GLU C C 57 177.000 177.000 177.048 -0.048 19613 1635 1 5 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.546 0.134 19613 1636 1 5 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.283 0.507 19613 1637 1 5 . 1 1 57 57 GLU H H 57 8.060 8.060 7.846 0.214 19613 1638 1 5 . 1 1 58 58 GLY N N 58 107.440 107.440 106.399 1.041 19613 1639 1 5 . 1 1 58 58 GLY C C 58 174.340 174.340 175.259 -0.919 19613 1640 1 5 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.493 0.087 19613 1641 1 5 . 1 1 58 58 GLY H H 58 7.920 7.920 7.889 0.031 19613 1642 1 5 . 1 1 59 59 LYS N N 59 118.190 118.190 119.042 -0.852 19613 1643 1 5 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.398 -0.238 19613 1644 1 5 . 1 1 59 59 LYS C C 59 176.150 176.150 176.463 -0.313 19613 1645 1 5 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.058 0.732 19613 1646 1 5 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.384 0.796 19613 1647 1 5 . 1 1 59 59 LYS H H 59 8.170 8.170 8.592 -0.422 19613 1648 1 5 . 1 1 60 60 ILE N N 60 107.860 107.860 113.074 -5.214 19613 1649 1 5 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.441 0.129 19613 1650 1 5 . 1 1 60 60 ILE C C 60 172.900 172.900 174.112 -1.212 19613 1651 1 5 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.301 -0.761 19613 1652 1 5 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.409 -0.499 19613 1653 1 5 . 1 1 60 60 ILE H H 60 7.140 7.140 7.258 -0.118 19613 1654 1 5 . 1 1 61 61 LYS N N 61 119.750 119.750 121.447 -1.697 19613 1655 1 5 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.546 -0.136 19613 1656 1 5 . 1 1 61 61 LYS C C 61 173.930 173.930 174.555 -0.625 19613 1657 1 5 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.788 -0.528 19613 1658 1 5 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.976 -0.306 19613 1659 1 5 . 1 1 61 61 LYS H H 61 8.670 8.670 8.343 0.327 19613 1660 1 5 . 1 1 62 62 GLU N N 62 117.580 117.580 119.342 -1.762 19613 1661 1 5 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.215 -0.075 19613 1662 1 5 . 1 1 62 62 GLU C C 62 175.630 175.630 174.926 0.704 19613 1663 1 5 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.129 -0.549 19613 1664 1 5 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.293 0.617 19613 1665 1 5 . 1 1 62 62 GLU H H 62 8.130 8.130 8.103 0.027 19613 1666 1 5 . 1 1 63 63 LYS N N 63 122.890 122.890 120.238 2.652 19613 1667 1 5 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.699 -0.149 19613 1668 1 5 . 1 1 63 63 LYS C C 63 174.510 174.510 174.779 -0.269 19613 1669 1 5 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.803 0.207 19613 1670 1 5 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.899 0.381 19613 1671 1 5 . 1 1 63 63 LYS H H 63 8.880 8.880 8.934 -0.054 19613 1672 1 5 . 1 1 64 64 THR N N 64 117.560 117.560 117.230 0.330 19613 1673 1 5 . 1 1 64 64 THR HA H 64 4.760 4.760 4.765 -0.005 19613 1674 1 5 . 1 1 64 64 THR C C 64 173.870 173.870 173.396 0.474 19613 1675 1 5 . 1 1 64 64 THR CA C 64 62.120 62.120 62.368 -0.249 19613 1676 1 5 . 1 1 64 64 THR CB C 64 69.740 69.740 69.549 0.190 19613 1677 1 5 . 1 1 64 64 THR H H 64 8.410 8.410 8.419 -0.009 19613 1678 1 5 . 1 1 65 65 TYR N N 65 127.630 127.630 129.177 -1.547 19613 1679 1 5 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.532 0.178 19613 1680 1 5 . 1 1 65 65 TYR C C 65 175.780 175.780 175.392 0.388 19613 1681 1 5 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.931 -0.401 19613 1682 1 5 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.566 -0.346 19613 1683 1 5 . 1 1 65 65 TYR H H 65 8.770 8.770 8.919 -0.149 19613 1684 1 5 . 1 1 67 67 LYS N N 67 120.220 120.220 123.930 -3.710 19613 1685 1 5 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.423 -0.223 19613 1686 1 5 . 1 1 67 67 LYS C C 67 175.890 175.890 176.240 -0.350 19613 1687 1 5 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.202 0.098 19613 1688 1 5 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.022 -0.842 19613 1689 1 5 . 1 1 67 67 LYS H H 67 8.110 8.110 8.433 -0.323 19613 1690 1 5 . 1 1 68 68 GLN N N 68 119.090 119.090 119.119 -0.029 19613 1691 1 5 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.763 -0.083 19613 1692 1 5 . 1 1 68 68 GLN C C 68 174.080 174.080 174.499 -0.419 19613 1693 1 5 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.188 0.612 19613 1694 1 5 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.758 -0.168 19613 1695 1 5 . 1 1 68 68 GLN H H 68 7.920 7.920 7.698 0.222 19613 1696 1 5 . 1 1 69 69 LYS N N 69 123.400 123.400 120.194 3.206 19613 1697 1 5 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.049 -0.309 19613 1698 1 5 . 1 1 69 69 LYS C C 69 175.820 175.820 175.561 0.259 19613 1699 1 5 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.411 0.679 19613 1700 1 5 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.251 -1.341 19613 1701 1 5 . 1 1 69 69 LYS H H 69 8.370 8.370 8.498 -0.128 19613 1702 1 5 . 1 1 70 70 ILE N N 70 120.640 120.640 121.348 -0.708 19613 1703 1 5 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.612 -0.052 19613 1704 1 5 . 1 1 70 70 ILE C C 70 173.330 173.330 174.322 -0.992 19613 1705 1 5 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.372 -1.322 19613 1706 1 5 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.649 0.031 19613 1707 1 5 . 1 1 70 70 ILE H H 70 8.780 8.780 8.757 0.023 19613 1708 1 5 . 1 1 71 71 TYR N N 71 120.200 120.200 124.809 -4.609 19613 1709 1 5 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.557 0.033 19613 1710 1 5 . 1 1 71 71 TYR C C 71 175.840 175.840 175.215 0.625 19613 1711 1 5 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.940 0.870 19613 1712 1 5 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.684 0.835 19613 1713 1 5 . 1 1 71 71 TYR H H 71 8.810 8.810 9.278 -0.468 19613 1714 1 5 . 1 1 72 72 PHE N N 72 113.950 113.950 116.571 -2.621 19613 1715 1 5 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.165 -0.165 19613 1716 1 5 . 1 1 72 72 PHE C C 72 172.950 172.950 173.427 -0.477 19613 1717 1 5 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.131 -0.421 19613 1718 1 5 . 1 1 72 72 PHE CB C 72 40.050 40.050 41.989 -1.939 19613 1719 1 5 . 1 1 72 72 PHE H H 72 8.470 8.470 8.767 -0.297 19613 1720 1 5 . 1 1 73 73 ALA N N 73 123.890 123.890 123.163 0.727 19613 1721 1 5 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.297 0.243 19613 1722 1 5 . 1 1 73 73 ALA C C 73 176.090 176.090 176.280 -0.190 19613 1723 1 5 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.864 -0.394 19613 1724 1 5 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.905 0.075 19613 1725 1 5 . 1 1 73 73 ALA H H 73 8.850 8.850 8.879 -0.029 19613 1726 1 6 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.158 -0.198 19613 1727 1 6 . 1 1 13 13 PRO C C 13 177.740 177.740 179.064 -1.324 19613 1728 1 6 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.154 0.826 19613 1729 1 6 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.963 -0.543 19613 1730 1 6 . 1 1 14 14 GLY N N 14 103.910 103.910 105.798 -1.888 19613 1731 1 6 . 1 1 14 14 GLY C C 14 176.450 176.450 176.527 -0.077 19613 1732 1 6 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.704 0.496 19613 1733 1 6 . 1 1 14 14 GLY H H 14 7.620 7.620 8.403 -0.783 19613 1734 1 6 . 1 1 15 15 ILE N N 15 122.900 122.900 123.374 -0.474 19613 1735 1 6 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.569 -0.099 19613 1736 1 6 . 1 1 15 15 ILE C C 15 178.810 178.810 177.948 0.862 19613 1737 1 6 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.329 -0.589 19613 1738 1 6 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.788 0.992 19613 1739 1 6 . 1 1 15 15 ILE H H 15 7.660 7.660 7.737 -0.077 19613 1740 1 6 . 1 1 16 16 ILE N N 16 120.300 120.300 119.979 0.321 19613 1741 1 6 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.690 -0.360 19613 1742 1 6 . 1 1 16 16 ILE C C 16 176.680 176.680 177.949 -1.269 19613 1743 1 6 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.457 -0.007 19613 1744 1 6 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.864 0.006 19613 1745 1 6 . 1 1 16 16 ILE H H 16 8.130 8.130 8.376 -0.246 19613 1746 1 6 . 1 1 17 17 LEU N N 17 120.680 120.680 121.032 -0.352 19613 1747 1 6 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.969 -0.109 19613 1748 1 6 . 1 1 17 17 LEU C C 17 177.830 177.830 178.437 -0.607 19613 1749 1 6 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.514 0.046 19613 1750 1 6 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.602 0.038 19613 1751 1 6 . 1 1 17 17 LEU H H 17 8.560 8.560 8.168 0.392 19613 1752 1 6 . 1 1 18 18 ARG N N 18 116.160 116.160 118.803 -2.643 19613 1753 1 6 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.926 0.154 19613 1754 1 6 . 1 1 18 18 ARG C C 18 178.250 178.250 178.241 0.009 19613 1755 1 6 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.669 -0.349 19613 1756 1 6 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.084 -0.494 19613 1757 1 6 . 1 1 18 18 ARG H H 18 7.580 7.580 7.994 -0.414 19613 1758 1 6 . 1 1 19 19 TYR N N 19 119.280 119.280 121.225 -1.945 19613 1759 1 6 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.197 0.153 19613 1760 1 6 . 1 1 19 19 TYR C C 19 177.480 177.480 177.859 -0.379 19613 1761 1 6 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.490 0.070 19613 1762 1 6 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.305 0.095 19613 1763 1 6 . 1 1 19 19 TYR H H 19 7.820 7.820 8.139 -0.319 19613 1764 1 6 . 1 1 20 20 LEU N N 20 117.650 117.650 118.336 -0.686 19613 1765 1 6 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.897 0.023 19613 1766 1 6 . 1 1 20 20 LEU C C 20 181.270 181.270 179.539 1.731 19613 1767 1 6 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.201 1.149 19613 1768 1 6 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.630 -0.000 19613 1769 1 6 . 1 1 20 20 LEU H H 20 8.610 8.610 8.767 -0.157 19613 1770 1 6 . 1 1 21 21 GLN N N 21 119.530 119.530 119.590 -0.060 19613 1771 1 6 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.119 -0.199 19613 1772 1 6 . 1 1 21 21 GLN C C 21 177.950 177.950 177.978 -0.028 19613 1773 1 6 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.343 0.497 19613 1774 1 6 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.517 -0.117 19613 1775 1 6 . 1 1 21 21 GLN H H 21 8.630 8.630 8.234 0.396 19613 1776 1 6 . 1 1 22 22 GLU N N 22 118.500 118.500 118.788 -0.288 19613 1777 1 6 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.122 -0.112 19613 1778 1 6 . 1 1 22 22 GLU C C 22 178.790 178.790 178.471 0.319 19613 1779 1 6 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.209 0.422 19613 1780 1 6 . 1 1 22 22 GLU CB C 22 29.870 29.870 30.054 -0.184 19613 1781 1 6 . 1 1 22 22 GLU H H 22 8.260 8.260 8.151 0.109 19613 1782 1 6 . 1 1 23 23 GLN N N 23 115.130 115.130 117.077 -1.947 19613 1783 1 6 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.246 -0.276 19613 1784 1 6 . 1 1 23 23 GLN C C 23 177.150 177.150 176.695 0.455 19613 1785 1 6 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.309 0.191 19613 1786 1 6 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.109 1.241 19613 1787 1 6 . 1 1 23 23 GLN H H 23 8.110 8.110 7.839 0.271 19613 1788 1 6 . 1 1 24 24 ASN N N 24 113.770 113.770 115.767 -1.997 19613 1789 1 6 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.388 0.162 19613 1790 1 6 . 1 1 24 24 ASN C C 24 173.280 173.280 173.851 -0.571 19613 1791 1 6 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.119 -0.259 19613 1792 1 6 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.573 0.267 19613 1793 1 6 . 1 1 24 24 ASN H H 24 8.000 8.000 8.160 -0.160 19613 1794 1 6 . 1 1 25 25 ARG N N 25 113.220 113.220 116.900 -3.680 19613 1795 1 6 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.680 0.050 19613 1796 1 6 . 1 1 25 25 ARG C C 25 172.740 172.740 173.416 -0.676 19613 1797 1 6 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.520 0.870 19613 1798 1 6 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.988 -0.488 19613 1799 1 6 . 1 1 25 25 ARG H H 25 7.100 7.100 7.842 -0.742 19613 1800 1 6 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.718 0.582 19613 1801 1 6 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.413 -1.083 19613 1802 1 6 . 1 1 26 26 PRO CB C 26 32.690 32.690 31.982 0.708 19613 1803 1 6 . 1 1 27 27 TYR N N 27 118.560 118.560 123.126 -4.566 19613 1804 1 6 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.783 0.377 19613 1805 1 6 . 1 1 27 27 TYR C C 27 175.960 175.960 175.868 0.092 19613 1806 1 6 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.805 0.815 19613 1807 1 6 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.516 3.314 19613 1808 1 6 . 1 1 27 27 TYR H H 27 9.040 9.040 8.885 0.155 19613 1809 1 6 . 1 1 28 28 SER N N 28 117.540 117.540 118.968 -1.428 19613 1810 1 6 . 1 1 28 28 SER HA H 28 5.290 5.290 4.996 0.294 19613 1811 1 6 . 1 1 28 28 SER C C 28 175.120 175.120 176.109 -0.989 19613 1812 1 6 . 1 1 28 28 SER CA C 28 56.790 56.790 57.615 -0.825 19613 1813 1 6 . 1 1 28 28 SER CB C 28 65.290 65.290 65.100 0.190 19613 1814 1 6 . 1 1 28 28 SER H H 28 9.590 9.590 9.283 0.307 19613 1815 1 6 . 1 1 29 29 ALA N N 29 122.480 122.480 123.369 -0.889 19613 1816 1 6 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.103 -0.213 19613 1817 1 6 . 1 1 29 29 ALA C C 29 179.570 179.570 180.035 -0.465 19613 1818 1 6 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.720 -0.030 19613 1819 1 6 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.705 0.235 19613 1820 1 6 . 1 1 29 29 ALA H H 29 9.830 9.830 8.850 0.980 19613 1821 1 6 . 1 1 30 30 GLN N N 30 116.680 116.680 117.570 -0.890 19613 1822 1 6 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.200 -0.200 19613 1823 1 6 . 1 1 30 30 GLN C C 30 178.110 178.110 178.450 -0.340 19613 1824 1 6 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.884 0.136 19613 1825 1 6 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.658 -0.748 19613 1826 1 6 . 1 1 30 30 GLN H H 30 8.580 8.580 8.432 0.148 19613 1827 1 6 . 1 1 31 31 ASP N N 31 120.540 120.540 121.711 -1.171 19613 1828 1 6 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.494 0.076 19613 1829 1 6 . 1 1 31 31 ASP C C 31 178.000 178.000 178.961 -0.961 19613 1830 1 6 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.565 -0.495 19613 1831 1 6 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.756 0.254 19613 1832 1 6 . 1 1 31 31 ASP H H 31 7.950 7.950 8.235 -0.285 19613 1833 1 6 . 1 1 32 32 VAL N N 32 120.050 120.050 119.647 0.403 19613 1834 1 6 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.468 -0.358 19613 1835 1 6 . 1 1 32 32 VAL C C 32 176.700 176.700 177.729 -1.029 19613 1836 1 6 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.144 1.536 19613 1837 1 6 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.858 -0.848 19613 1838 1 6 . 1 1 32 32 VAL H H 32 8.220 8.220 8.329 -0.109 19613 1839 1 6 . 1 1 33 33 PHE N N 33 116.980 116.980 121.432 -4.452 19613 1840 1 6 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.137 -0.007 19613 1841 1 6 . 1 1 33 33 PHE C C 33 177.340 177.340 177.179 0.161 19613 1842 1 6 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.922 -0.742 19613 1843 1 6 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.541 -0.122 19613 1844 1 6 . 1 1 33 33 PHE H H 33 8.290 8.290 7.791 0.499 19613 1845 1 6 . 1 1 34 34 GLY N N 34 105.970 105.970 105.952 0.018 19613 1846 1 6 . 1 1 34 34 GLY C C 34 176.440 176.440 176.025 0.415 19613 1847 1 6 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.122 -0.362 19613 1848 1 6 . 1 1 34 34 GLY H H 34 8.560 8.560 8.579 -0.019 19613 1849 1 6 . 1 1 35 35 ASN N N 35 119.330 119.330 120.429 -1.099 19613 1850 1 6 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.466 0.034 19613 1851 1 6 . 1 1 35 35 ASN C C 35 177.080 177.080 177.462 -0.382 19613 1852 1 6 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.341 -0.761 19613 1853 1 6 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.339 -0.629 19613 1854 1 6 . 1 1 35 35 ASN H H 35 8.270 8.270 7.924 0.346 19613 1855 1 6 . 1 1 36 36 LEU N N 36 117.960 117.960 119.736 -1.776 19613 1856 1 6 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.289 0.191 19613 1857 1 6 . 1 1 36 36 LEU C C 36 177.990 177.990 178.674 -0.684 19613 1858 1 6 . 1 1 36 36 LEU CA C 36 55.090 55.090 56.060 -0.970 19613 1859 1 6 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.309 0.961 19613 1860 1 6 . 1 1 36 36 LEU H H 36 7.450 7.450 7.931 -0.481 19613 1861 1 6 . 1 1 37 37 GLN N N 37 121.190 121.190 120.992 0.198 19613 1862 1 6 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.941 -0.091 19613 1863 1 6 . 1 1 37 37 GLN C C 37 178.240 178.240 178.079 0.161 19613 1864 1 6 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.231 1.049 19613 1865 1 6 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.256 -0.276 19613 1866 1 6 . 1 1 37 37 GLN H H 37 7.310 7.310 8.338 -1.028 19613 1867 1 6 . 1 1 38 38 LYS N N 38 119.590 119.590 118.151 1.439 19613 1868 1 6 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.115 -0.255 19613 1869 1 6 . 1 1 38 38 LYS C C 38 178.090 178.090 178.445 -0.355 19613 1870 1 6 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.563 0.837 19613 1871 1 6 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.530 -0.830 19613 1872 1 6 . 1 1 38 38 LYS H H 38 8.500 8.500 7.477 1.023 19613 1873 1 6 . 1 1 39 39 GLU N N 39 116.720 116.720 117.338 -0.618 19613 1874 1 6 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.117 -0.197 19613 1875 1 6 . 1 1 39 39 GLU C C 39 176.580 176.580 177.814 -1.234 19613 1876 1 6 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.266 -0.016 19613 1877 1 6 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.312 0.168 19613 1878 1 6 . 1 1 39 39 GLU H H 39 8.290 8.290 7.940 0.350 19613 1879 1 6 . 1 1 40 40 HIS N N 40 112.640 112.640 114.949 -2.309 19613 1880 1 6 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.726 -0.016 19613 1881 1 6 . 1 1 40 40 HIS C C 40 176.970 176.970 175.772 1.198 19613 1882 1 6 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.335 0.295 19613 1883 1 6 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.671 1.299 19613 1884 1 6 . 1 1 40 40 HIS H H 40 7.640 7.640 7.756 -0.116 19613 1885 1 6 . 1 1 41 41 GLY N N 41 108.210 108.210 108.228 -0.018 19613 1886 1 6 . 1 1 41 41 GLY C C 41 174.560 174.560 174.220 0.340 19613 1887 1 6 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.255 1.925 19613 1888 1 6 . 1 1 41 41 GLY H H 41 8.100 8.100 8.119 -0.019 19613 1889 1 6 . 1 1 42 42 LEU N N 42 117.300 117.300 121.519 -4.219 19613 1890 1 6 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.407 -0.097 19613 1891 1 6 . 1 1 42 42 LEU C C 42 177.790 177.790 177.669 0.121 19613 1892 1 6 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.879 -0.469 19613 1893 1 6 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.474 0.346 19613 1894 1 6 . 1 1 42 42 LEU H H 42 6.850 6.850 7.388 -0.538 19613 1895 1 6 . 1 1 43 43 GLY N N 43 109.450 109.450 109.053 0.397 19613 1896 1 6 . 1 1 43 43 GLY C C 43 173.630 173.630 174.684 -1.054 19613 1897 1 6 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.598 -0.258 19613 1898 1 6 . 1 1 43 43 GLY H H 43 8.690 8.690 8.284 0.406 19613 1899 1 6 . 1 1 44 44 LYS N N 44 123.130 123.130 121.475 1.655 19613 1900 1 6 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.218 -0.038 19613 1901 1 6 . 1 1 44 44 LYS C C 44 177.960 177.960 178.535 -0.575 19613 1902 1 6 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.039 1.411 19613 1903 1 6 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.896 -0.946 19613 1904 1 6 . 1 1 44 44 LYS H H 44 8.320 8.320 8.678 -0.358 19613 1905 1 6 . 1 1 45 45 ALA N N 45 119.150 119.150 121.474 -2.324 19613 1906 1 6 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.087 -0.117 19613 1907 1 6 . 1 1 45 45 ALA C C 45 180.320 180.320 179.437 0.883 19613 1908 1 6 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.673 0.307 19613 1909 1 6 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.848 -0.468 19613 1910 1 6 . 1 1 45 45 ALA H H 45 8.360 8.360 8.339 0.021 19613 1911 1 6 . 1 1 46 46 ALA N N 46 120.560 120.560 121.944 -1.384 19613 1912 1 6 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.099 -0.069 19613 1913 1 6 . 1 1 46 46 ALA C C 46 180.760 180.760 180.128 0.632 19613 1914 1 6 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.726 -0.196 19613 1915 1 6 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.195 -0.126 19613 1916 1 6 . 1 1 46 46 ALA H H 46 7.530 7.530 8.174 -0.644 19613 1917 1 6 . 1 1 47 47 VAL N N 47 120.280 120.280 118.987 1.293 19613 1918 1 6 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.520 -0.140 19613 1919 1 6 . 1 1 47 47 VAL C C 47 176.860 176.860 177.942 -1.082 19613 1920 1 6 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.623 0.097 19613 1921 1 6 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.905 -0.485 19613 1922 1 6 . 1 1 47 47 VAL H H 47 7.910 7.910 8.005 -0.095 19613 1923 1 6 . 1 1 48 48 VAL N N 48 119.370 119.370 119.789 -0.419 19613 1924 1 6 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.436 -0.086 19613 1925 1 6 . 1 1 48 48 VAL C C 48 178.200 178.200 177.725 0.475 19613 1926 1 6 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.092 -0.232 19613 1927 1 6 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.334 0.645 19613 1928 1 6 . 1 1 48 48 VAL H H 48 8.240 8.240 8.113 0.127 19613 1929 1 6 . 1 1 49 49 LYS N N 49 117.640 117.640 119.127 -1.487 19613 1930 1 6 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.977 0.103 19613 1931 1 6 . 1 1 49 49 LYS C C 49 178.920 178.920 178.922 -0.002 19613 1932 1 6 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.638 -0.648 19613 1933 1 6 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.147 0.373 19613 1934 1 6 . 1 1 49 49 LYS H H 49 7.830 7.830 8.152 -0.322 19613 1935 1 6 . 1 1 50 50 ALA N N 50 120.810 120.810 123.261 -2.451 19613 1936 1 6 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.125 -0.065 19613 1937 1 6 . 1 1 50 50 ALA C C 50 179.390 179.390 179.558 -0.168 19613 1938 1 6 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.803 -0.003 19613 1939 1 6 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.380 0.620 19613 1940 1 6 . 1 1 50 50 ALA H H 50 7.920 7.920 7.744 0.176 19613 1941 1 6 . 1 1 51 51 LEU N N 51 118.510 118.510 119.284 -0.774 19613 1942 1 6 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.632 -0.072 19613 1943 1 6 . 1 1 51 51 LEU C C 51 177.800 177.800 178.766 -0.966 19613 1944 1 6 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.141 0.069 19613 1945 1 6 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.078 -0.788 19613 1946 1 6 . 1 1 51 51 LEU H H 51 8.210 8.210 8.209 0.001 19613 1947 1 6 . 1 1 52 52 ASP N N 52 116.940 116.940 118.643 -1.703 19613 1948 1 6 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.527 -0.007 19613 1949 1 6 . 1 1 52 52 ASP C C 52 178.800 178.800 179.036 -0.236 19613 1950 1 6 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.034 0.366 19613 1951 1 6 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.313 0.597 19613 1952 1 6 . 1 1 52 52 ASP H H 52 7.710 7.710 7.890 -0.180 19613 1953 1 6 . 1 1 53 53 GLN N N 53 120.360 120.360 120.615 -0.255 19613 1954 1 6 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.066 -0.086 19613 1955 1 6 . 1 1 53 53 GLN C C 53 178.310 178.310 178.410 -0.100 19613 1956 1 6 . 1 1 53 53 GLN CA C 53 59.370 59.370 59.043 0.327 19613 1957 1 6 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.753 -0.413 19613 1958 1 6 . 1 1 53 53 GLN H H 53 8.200 8.200 7.999 0.201 19613 1959 1 6 . 1 1 54 54 LEU N N 54 118.990 118.990 119.856 -0.866 19613 1960 1 6 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.052 -0.072 19613 1961 1 6 . 1 1 54 54 LEU C C 54 179.660 179.660 179.058 0.602 19613 1962 1 6 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.758 -0.007 19613 1963 1 6 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.729 1.711 19613 1964 1 6 . 1 1 54 54 LEU H H 54 8.500 8.500 8.408 0.092 19613 1965 1 6 . 1 1 55 55 ALA N N 55 122.270 122.270 120.708 1.562 19613 1966 1 6 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.420 -0.050 19613 1967 1 6 . 1 1 55 55 ALA C C 55 181.940 181.940 179.761 2.179 19613 1968 1 6 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.449 0.261 19613 1969 1 6 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.567 -0.977 19613 1970 1 6 . 1 1 55 55 ALA H H 55 8.350 8.350 7.902 0.448 19613 1971 1 6 . 1 1 56 56 GLN N N 56 122.320 122.320 118.188 4.132 19613 1972 1 6 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.118 -0.048 19613 1973 1 6 . 1 1 56 56 GLN C C 56 178.840 178.840 178.333 0.507 19613 1974 1 6 . 1 1 56 56 GLN CA C 56 59.180 59.180 57.927 1.253 19613 1975 1 6 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.688 -0.638 19613 1976 1 6 . 1 1 56 56 GLN H H 56 8.610 8.610 7.960 0.650 19613 1977 1 6 . 1 1 57 57 GLU N N 57 115.890 115.890 117.235 -1.345 19613 1978 1 6 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.245 -0.025 19613 1979 1 6 . 1 1 57 57 GLU C C 57 177.000 177.000 177.031 -0.031 19613 1980 1 6 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.547 0.133 19613 1981 1 6 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.355 0.435 19613 1982 1 6 . 1 1 57 57 GLU H H 57 8.060 8.060 8.176 -0.116 19613 1983 1 6 . 1 1 58 58 GLY N N 58 107.440 107.440 106.267 1.173 19613 1984 1 6 . 1 1 58 58 GLY C C 58 174.340 174.340 174.993 -0.653 19613 1985 1 6 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.407 0.173 19613 1986 1 6 . 1 1 58 58 GLY H H 58 7.920 7.920 7.904 0.016 19613 1987 1 6 . 1 1 59 59 LYS N N 59 118.190 118.190 119.372 -1.182 19613 1988 1 6 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.443 -0.283 19613 1989 1 6 . 1 1 59 59 LYS C C 59 176.150 176.150 176.167 -0.017 19613 1990 1 6 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.516 0.274 19613 1991 1 6 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.744 0.436 19613 1992 1 6 . 1 1 59 59 LYS H H 59 8.170 8.170 8.518 -0.348 19613 1993 1 6 . 1 1 60 60 ILE N N 60 107.860 107.860 113.536 -5.676 19613 1994 1 6 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.478 0.092 19613 1995 1 6 . 1 1 60 60 ILE C C 60 172.900 172.900 174.152 -1.252 19613 1996 1 6 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.072 -0.532 19613 1997 1 6 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.237 -0.327 19613 1998 1 6 . 1 1 60 60 ILE H H 60 7.140 7.140 7.324 -0.184 19613 1999 1 6 . 1 1 61 61 LYS N N 61 119.750 119.750 121.634 -1.884 19613 2000 1 6 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.542 -0.132 19613 2001 1 6 . 1 1 61 61 LYS C C 61 173.930 173.930 174.592 -0.662 19613 2002 1 6 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.805 -0.545 19613 2003 1 6 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.958 -0.288 19613 2004 1 6 . 1 1 61 61 LYS H H 61 8.670 8.670 8.351 0.319 19613 2005 1 6 . 1 1 62 62 GLU N N 62 117.580 117.580 119.212 -1.632 19613 2006 1 6 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.187 -0.047 19613 2007 1 6 . 1 1 62 62 GLU C C 62 175.630 175.630 174.934 0.696 19613 2008 1 6 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.139 -0.559 19613 2009 1 6 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.283 0.627 19613 2010 1 6 . 1 1 62 62 GLU H H 62 8.130 8.130 8.117 0.013 19613 2011 1 6 . 1 1 63 63 LYS N N 63 122.890 122.890 120.274 2.616 19613 2012 1 6 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.703 -0.153 19613 2013 1 6 . 1 1 63 63 LYS C C 63 174.510 174.510 174.807 -0.297 19613 2014 1 6 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.827 0.183 19613 2015 1 6 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.891 0.389 19613 2016 1 6 . 1 1 63 63 LYS H H 63 8.880 8.880 8.922 -0.042 19613 2017 1 6 . 1 1 64 64 THR N N 64 117.560 117.560 117.569 -0.009 19613 2018 1 6 . 1 1 64 64 THR HA H 64 4.760 4.760 4.777 -0.017 19613 2019 1 6 . 1 1 64 64 THR C C 64 173.870 173.870 173.525 0.345 19613 2020 1 6 . 1 1 64 64 THR CA C 64 62.120 62.120 62.323 -0.203 19613 2021 1 6 . 1 1 64 64 THR CB C 64 69.740 69.740 69.550 0.190 19613 2022 1 6 . 1 1 64 64 THR H H 64 8.410 8.410 8.463 -0.053 19613 2023 1 6 . 1 1 65 65 TYR N N 65 127.630 127.630 129.697 -2.067 19613 2024 1 6 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.500 0.210 19613 2025 1 6 . 1 1 65 65 TYR C C 65 175.780 175.780 175.632 0.148 19613 2026 1 6 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.625 -0.095 19613 2027 1 6 . 1 1 65 65 TYR CB C 65 39.220 39.220 38.719 0.501 19613 2028 1 6 . 1 1 65 65 TYR H H 65 8.770 8.770 8.844 -0.074 19613 2029 1 6 . 1 1 67 67 LYS N N 67 120.220 120.220 124.023 -3.803 19613 2030 1 6 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.414 -0.214 19613 2031 1 6 . 1 1 67 67 LYS C C 67 175.890 175.890 176.237 -0.347 19613 2032 1 6 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.111 0.189 19613 2033 1 6 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.126 -0.945 19613 2034 1 6 . 1 1 67 67 LYS H H 67 8.110 8.110 8.412 -0.302 19613 2035 1 6 . 1 1 68 68 GLN N N 68 119.090 119.090 119.247 -0.157 19613 2036 1 6 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.744 -0.064 19613 2037 1 6 . 1 1 68 68 GLN C C 68 174.080 174.080 174.571 -0.491 19613 2038 1 6 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.272 0.528 19613 2039 1 6 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.497 0.093 19613 2040 1 6 . 1 1 68 68 GLN H H 68 7.920 7.920 7.683 0.237 19613 2041 1 6 . 1 1 69 69 LYS N N 69 123.400 123.400 120.285 3.115 19613 2042 1 6 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.075 -0.335 19613 2043 1 6 . 1 1 69 69 LYS C C 69 175.820 175.820 175.559 0.261 19613 2044 1 6 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.417 0.673 19613 2045 1 6 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.344 -1.434 19613 2046 1 6 . 1 1 69 69 LYS H H 69 8.370 8.370 8.502 -0.132 19613 2047 1 6 . 1 1 70 70 ILE N N 70 120.640 120.640 121.283 -0.643 19613 2048 1 6 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.664 -0.104 19613 2049 1 6 . 1 1 70 70 ILE C C 70 173.330 173.330 174.196 -0.866 19613 2050 1 6 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.369 -1.319 19613 2051 1 6 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.116 -0.436 19613 2052 1 6 . 1 1 70 70 ILE H H 70 8.780 8.780 8.865 -0.085 19613 2053 1 6 . 1 1 71 71 TYR N N 71 120.200 120.200 124.707 -4.507 19613 2054 1 6 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.477 0.113 19613 2055 1 6 . 1 1 71 71 TYR C C 71 175.840 175.840 175.136 0.704 19613 2056 1 6 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.998 0.812 19613 2057 1 6 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.734 0.786 19613 2058 1 6 . 1 1 71 71 TYR H H 71 8.810 8.810 9.294 -0.484 19613 2059 1 6 . 1 1 72 72 PHE N N 72 113.950 113.950 116.553 -2.603 19613 2060 1 6 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.158 -0.158 19613 2061 1 6 . 1 1 72 72 PHE C C 72 172.950 172.950 173.400 -0.450 19613 2062 1 6 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.251 -0.541 19613 2063 1 6 . 1 1 72 72 PHE CB C 72 40.050 40.050 41.919 -1.869 19613 2064 1 6 . 1 1 72 72 PHE H H 72 8.470 8.470 8.777 -0.307 19613 2065 1 6 . 1 1 73 73 ALA N N 73 123.890 123.890 123.397 0.493 19613 2066 1 6 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.286 0.254 19613 2067 1 6 . 1 1 73 73 ALA C C 73 176.090 176.090 176.180 -0.090 19613 2068 1 6 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.830 -0.360 19613 2069 1 6 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.934 0.046 19613 2070 1 6 . 1 1 73 73 ALA H H 73 8.850 8.850 8.855 -0.005 19613 2071 1 7 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.133 -0.173 19613 2072 1 7 . 1 1 13 13 PRO C C 13 177.740 177.740 179.080 -1.340 19613 2073 1 7 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.262 0.718 19613 2074 1 7 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.925 -0.505 19613 2075 1 7 . 1 1 14 14 GLY N N 14 103.910 103.910 105.567 -1.657 19613 2076 1 7 . 1 1 14 14 GLY C C 14 176.450 176.450 176.541 -0.091 19613 2077 1 7 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.802 0.398 19613 2078 1 7 . 1 1 14 14 GLY H H 14 7.620 7.620 8.415 -0.795 19613 2079 1 7 . 1 1 15 15 ILE N N 15 122.900 122.900 123.233 -0.333 19613 2080 1 7 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.550 -0.080 19613 2081 1 7 . 1 1 15 15 ILE C C 15 178.810 178.810 177.991 0.819 19613 2082 1 7 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.295 -0.555 19613 2083 1 7 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.782 0.998 19613 2084 1 7 . 1 1 15 15 ILE H H 15 7.660 7.660 7.475 0.185 19613 2085 1 7 . 1 1 16 16 ILE N N 16 120.300 120.300 119.692 0.608 19613 2086 1 7 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.691 -0.361 19613 2087 1 7 . 1 1 16 16 ILE C C 16 176.680 176.680 178.027 -1.347 19613 2088 1 7 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.282 0.168 19613 2089 1 7 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.860 0.010 19613 2090 1 7 . 1 1 16 16 ILE H H 16 8.130 8.130 8.358 -0.228 19613 2091 1 7 . 1 1 17 17 LEU N N 17 120.680 120.680 121.500 -0.820 19613 2092 1 7 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.943 -0.083 19613 2093 1 7 . 1 1 17 17 LEU C C 17 177.830 177.830 178.544 -0.714 19613 2094 1 7 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.758 -0.198 19613 2095 1 7 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.652 -0.012 19613 2096 1 7 . 1 1 17 17 LEU H H 17 8.560 8.560 8.353 0.207 19613 2097 1 7 . 1 1 18 18 ARG N N 18 116.160 116.160 117.383 -1.223 19613 2098 1 7 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.008 0.072 19613 2099 1 7 . 1 1 18 18 ARG C C 18 178.250 178.250 178.904 -0.654 19613 2100 1 7 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.357 -0.037 19613 2101 1 7 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.015 -0.425 19613 2102 1 7 . 1 1 18 18 ARG H H 18 7.580 7.580 7.820 -0.240 19613 2103 1 7 . 1 1 19 19 TYR N N 19 119.280 119.280 122.481 -3.201 19613 2104 1 7 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.204 0.146 19613 2105 1 7 . 1 1 19 19 TYR C C 19 177.480 177.480 177.644 -0.164 19613 2106 1 7 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.474 0.086 19613 2107 1 7 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.187 0.213 19613 2108 1 7 . 1 1 19 19 TYR H H 19 7.820 7.820 8.139 -0.319 19613 2109 1 7 . 1 1 20 20 LEU N N 20 117.650 117.650 118.565 -0.915 19613 2110 1 7 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.828 0.092 19613 2111 1 7 . 1 1 20 20 LEU C C 20 181.270 181.270 179.573 1.697 19613 2112 1 7 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.518 0.832 19613 2113 1 7 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.703 -0.073 19613 2114 1 7 . 1 1 20 20 LEU H H 20 8.610 8.610 8.576 0.034 19613 2115 1 7 . 1 1 21 21 GLN N N 21 119.530 119.530 118.615 0.915 19613 2116 1 7 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.072 -0.152 19613 2117 1 7 . 1 1 21 21 GLN C C 21 177.950 177.950 178.238 -0.288 19613 2118 1 7 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.722 0.118 19613 2119 1 7 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.800 -0.400 19613 2120 1 7 . 1 1 21 21 GLN H H 21 8.630 8.630 8.063 0.567 19613 2121 1 7 . 1 1 22 22 GLU N N 22 118.500 118.500 118.968 -0.468 19613 2122 1 7 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.095 -0.085 19613 2123 1 7 . 1 1 22 22 GLU C C 22 178.790 178.790 178.293 0.497 19613 2124 1 7 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.624 0.006 19613 2125 1 7 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.886 -0.015 19613 2126 1 7 . 1 1 22 22 GLU H H 22 8.260 8.260 8.118 0.142 19613 2127 1 7 . 1 1 23 23 GLN N N 23 115.130 115.130 116.816 -1.686 19613 2128 1 7 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.263 -0.293 19613 2129 1 7 . 1 1 23 23 GLN C C 23 177.150 177.150 176.682 0.468 19613 2130 1 7 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.105 0.395 19613 2131 1 7 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.175 1.175 19613 2132 1 7 . 1 1 23 23 GLN H H 23 8.110 8.110 7.744 0.366 19613 2133 1 7 . 1 1 24 24 ASN N N 24 113.770 113.770 115.879 -2.109 19613 2134 1 7 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.371 0.179 19613 2135 1 7 . 1 1 24 24 ASN C C 24 173.280 173.280 173.870 -0.590 19613 2136 1 7 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.148 -0.288 19613 2137 1 7 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.584 0.256 19613 2138 1 7 . 1 1 24 24 ASN H H 24 8.000 8.000 8.232 -0.232 19613 2139 1 7 . 1 1 25 25 ARG N N 25 113.220 113.220 116.854 -3.634 19613 2140 1 7 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.674 0.056 19613 2141 1 7 . 1 1 25 25 ARG C C 25 172.740 172.740 173.450 -0.710 19613 2142 1 7 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.556 0.834 19613 2143 1 7 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.098 -0.598 19613 2144 1 7 . 1 1 25 25 ARG H H 25 7.100 7.100 7.715 -0.615 19613 2145 1 7 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.865 0.435 19613 2146 1 7 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.302 -0.972 19613 2147 1 7 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.124 0.566 19613 2148 1 7 . 1 1 27 27 TYR N N 27 118.560 118.560 122.558 -3.998 19613 2149 1 7 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.791 0.369 19613 2150 1 7 . 1 1 27 27 TYR C C 27 175.960 175.960 175.917 0.043 19613 2151 1 7 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.833 0.787 19613 2152 1 7 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.669 3.161 19613 2153 1 7 . 1 1 27 27 TYR H H 27 9.040 9.040 9.018 0.022 19613 2154 1 7 . 1 1 28 28 SER N N 28 117.540 117.540 118.877 -1.337 19613 2155 1 7 . 1 1 28 28 SER HA H 28 5.290 5.290 5.022 0.268 19613 2156 1 7 . 1 1 28 28 SER C C 28 175.120 175.120 176.107 -0.987 19613 2157 1 7 . 1 1 28 28 SER CA C 28 56.790 56.790 57.584 -0.794 19613 2158 1 7 . 1 1 28 28 SER CB C 28 65.290 65.290 65.140 0.150 19613 2159 1 7 . 1 1 28 28 SER H H 28 9.590 9.590 9.300 0.290 19613 2160 1 7 . 1 1 29 29 ALA N N 29 122.480 122.480 123.482 -1.002 19613 2161 1 7 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.063 -0.173 19613 2162 1 7 . 1 1 29 29 ALA C C 29 179.570 179.570 179.999 -0.429 19613 2163 1 7 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.783 -0.093 19613 2164 1 7 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.646 0.294 19613 2165 1 7 . 1 1 29 29 ALA H H 29 9.830 9.830 8.810 1.020 19613 2166 1 7 . 1 1 30 30 GLN N N 30 116.680 116.680 117.578 -0.898 19613 2167 1 7 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.158 -0.158 19613 2168 1 7 . 1 1 30 30 GLN C C 30 178.110 178.110 178.486 -0.376 19613 2169 1 7 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.938 0.082 19613 2170 1 7 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.610 -0.700 19613 2171 1 7 . 1 1 30 30 GLN H H 30 8.580 8.580 8.395 0.185 19613 2172 1 7 . 1 1 31 31 ASP N N 31 120.540 120.540 121.675 -1.135 19613 2173 1 7 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.509 0.061 19613 2174 1 7 . 1 1 31 31 ASP C C 31 178.000 178.000 178.953 -0.953 19613 2175 1 7 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.560 -0.490 19613 2176 1 7 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.759 0.251 19613 2177 1 7 . 1 1 31 31 ASP H H 31 7.950 7.950 8.258 -0.308 19613 2178 1 7 . 1 1 32 32 VAL N N 32 120.050 120.050 119.673 0.377 19613 2179 1 7 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.413 -0.303 19613 2180 1 7 . 1 1 32 32 VAL C C 32 176.700 176.700 177.665 -0.965 19613 2181 1 7 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.135 1.546 19613 2182 1 7 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.840 -0.830 19613 2183 1 7 . 1 1 32 32 VAL H H 32 8.220 8.220 8.288 -0.068 19613 2184 1 7 . 1 1 33 33 PHE N N 33 116.980 116.980 121.184 -4.204 19613 2185 1 7 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.091 0.039 19613 2186 1 7 . 1 1 33 33 PHE C C 33 177.340 177.340 177.237 0.103 19613 2187 1 7 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.251 -1.071 19613 2188 1 7 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.706 -0.286 19613 2189 1 7 . 1 1 33 33 PHE H H 33 8.290 8.290 7.827 0.463 19613 2190 1 7 . 1 1 34 34 GLY N N 34 105.970 105.970 105.732 0.238 19613 2191 1 7 . 1 1 34 34 GLY C C 34 176.440 176.440 176.058 0.382 19613 2192 1 7 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.176 -0.416 19613 2193 1 7 . 1 1 34 34 GLY H H 34 8.560 8.560 8.614 -0.054 19613 2194 1 7 . 1 1 35 35 ASN N N 35 119.330 119.330 119.970 -0.640 19613 2195 1 7 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.520 -0.020 19613 2196 1 7 . 1 1 35 35 ASN C C 35 177.080 177.080 177.340 -0.260 19613 2197 1 7 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.054 -0.474 19613 2198 1 7 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.538 -0.828 19613 2199 1 7 . 1 1 35 35 ASN H H 35 8.270 8.270 7.870 0.400 19613 2200 1 7 . 1 1 36 36 LEU N N 36 117.960 117.960 119.412 -1.452 19613 2201 1 7 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.360 0.120 19613 2202 1 7 . 1 1 36 36 LEU C C 36 177.990 177.990 178.157 -0.167 19613 2203 1 7 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.492 -0.402 19613 2204 1 7 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.250 1.020 19613 2205 1 7 . 1 1 36 36 LEU H H 36 7.450 7.450 7.810 -0.360 19613 2206 1 7 . 1 1 37 37 GLN N N 37 121.190 121.190 121.300 -0.110 19613 2207 1 7 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.805 0.045 19613 2208 1 7 . 1 1 37 37 GLN C C 37 178.240 178.240 177.874 0.366 19613 2209 1 7 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.353 0.927 19613 2210 1 7 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.176 -0.196 19613 2211 1 7 . 1 1 37 37 GLN H H 37 7.310 7.310 8.106 -0.796 19613 2212 1 7 . 1 1 38 38 LYS N N 38 119.590 119.590 117.656 1.934 19613 2213 1 7 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.151 -0.291 19613 2214 1 7 . 1 1 38 38 LYS C C 38 178.090 178.090 178.391 -0.301 19613 2215 1 7 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.284 1.116 19613 2216 1 7 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.507 -0.807 19613 2217 1 7 . 1 1 38 38 LYS H H 38 8.500 8.500 7.749 0.751 19613 2218 1 7 . 1 1 39 39 GLU N N 39 116.720 116.720 117.505 -0.785 19613 2219 1 7 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.087 -0.167 19613 2220 1 7 . 1 1 39 39 GLU C C 39 176.580 176.580 177.697 -1.117 19613 2221 1 7 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.269 -0.019 19613 2222 1 7 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.222 0.258 19613 2223 1 7 . 1 1 39 39 GLU H H 39 8.290 8.290 8.057 0.233 19613 2224 1 7 . 1 1 40 40 HIS N N 40 112.640 112.640 114.771 -2.131 19613 2225 1 7 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.721 -0.011 19613 2226 1 7 . 1 1 40 40 HIS C C 40 176.970 176.970 175.717 1.253 19613 2227 1 7 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.299 0.331 19613 2228 1 7 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.951 1.019 19613 2229 1 7 . 1 1 40 40 HIS H H 40 7.640 7.640 7.677 -0.037 19613 2230 1 7 . 1 1 41 41 GLY N N 41 108.210 108.210 108.400 -0.190 19613 2231 1 7 . 1 1 41 41 GLY C C 41 174.560 174.560 174.220 0.340 19613 2232 1 7 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.313 1.867 19613 2233 1 7 . 1 1 41 41 GLY H H 41 8.100 8.100 8.176 -0.076 19613 2234 1 7 . 1 1 42 42 LEU N N 42 117.300 117.300 121.549 -4.249 19613 2235 1 7 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.399 -0.089 19613 2236 1 7 . 1 1 42 42 LEU C C 42 177.790 177.790 177.556 0.234 19613 2237 1 7 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.879 -0.469 19613 2238 1 7 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.419 0.401 19613 2239 1 7 . 1 1 42 42 LEU H H 42 6.850 6.850 7.290 -0.440 19613 2240 1 7 . 1 1 43 43 GLY N N 43 109.450 109.450 109.226 0.224 19613 2241 1 7 . 1 1 43 43 GLY C C 43 173.630 173.630 174.765 -1.135 19613 2242 1 7 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.524 -0.184 19613 2243 1 7 . 1 1 43 43 GLY H H 43 8.690 8.690 8.272 0.418 19613 2244 1 7 . 1 1 44 44 LYS N N 44 123.130 123.130 121.126 2.004 19613 2245 1 7 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.519 -0.339 19613 2246 1 7 . 1 1 44 44 LYS C C 44 177.960 177.960 178.638 -0.678 19613 2247 1 7 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.282 1.168 19613 2248 1 7 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.083 -1.133 19613 2249 1 7 . 1 1 44 44 LYS H H 44 8.320 8.320 8.725 -0.405 19613 2250 1 7 . 1 1 45 45 ALA N N 45 119.150 119.150 121.449 -2.299 19613 2251 1 7 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.128 -0.158 19613 2252 1 7 . 1 1 45 45 ALA C C 45 180.320 180.320 179.461 0.859 19613 2253 1 7 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.670 0.310 19613 2254 1 7 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.880 -0.500 19613 2255 1 7 . 1 1 45 45 ALA H H 45 8.360 8.360 8.387 -0.027 19613 2256 1 7 . 1 1 46 46 ALA N N 46 120.560 120.560 122.058 -1.498 19613 2257 1 7 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.108 -0.078 19613 2258 1 7 . 1 1 46 46 ALA C C 46 180.760 180.760 180.157 0.603 19613 2259 1 7 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.759 -0.229 19613 2260 1 7 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.211 -0.141 19613 2261 1 7 . 1 1 46 46 ALA H H 46 7.530 7.530 8.212 -0.682 19613 2262 1 7 . 1 1 47 47 VAL N N 47 120.280 120.280 118.951 1.329 19613 2263 1 7 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.531 -0.151 19613 2264 1 7 . 1 1 47 47 VAL C C 47 176.860 176.860 177.969 -1.109 19613 2265 1 7 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.635 0.085 19613 2266 1 7 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.926 -0.506 19613 2267 1 7 . 1 1 47 47 VAL H H 47 7.910 7.910 8.031 -0.121 19613 2268 1 7 . 1 1 48 48 VAL N N 48 119.370 119.370 119.783 -0.413 19613 2269 1 7 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.467 -0.117 19613 2270 1 7 . 1 1 48 48 VAL C C 48 178.200 178.200 177.767 0.433 19613 2271 1 7 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.092 -0.232 19613 2272 1 7 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.373 0.607 19613 2273 1 7 . 1 1 48 48 VAL H H 48 8.240 8.240 8.012 0.228 19613 2274 1 7 . 1 1 49 49 LYS N N 49 117.640 117.640 119.095 -1.455 19613 2275 1 7 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.005 0.075 19613 2276 1 7 . 1 1 49 49 LYS C C 49 178.920 178.920 178.951 -0.031 19613 2277 1 7 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.527 -0.537 19613 2278 1 7 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.179 0.341 19613 2279 1 7 . 1 1 49 49 LYS H H 49 7.830 7.830 8.285 -0.455 19613 2280 1 7 . 1 1 50 50 ALA N N 50 120.810 120.810 122.924 -2.114 19613 2281 1 7 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.099 -0.039 19613 2282 1 7 . 1 1 50 50 ALA C C 50 179.390 179.390 179.624 -0.234 19613 2283 1 7 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.915 -0.115 19613 2284 1 7 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.069 0.931 19613 2285 1 7 . 1 1 50 50 ALA H H 50 7.920 7.920 7.799 0.121 19613 2286 1 7 . 1 1 51 51 LEU N N 51 118.510 118.510 119.224 -0.714 19613 2287 1 7 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.642 -0.082 19613 2288 1 7 . 1 1 51 51 LEU C C 51 177.800 177.800 178.741 -0.941 19613 2289 1 7 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.061 0.149 19613 2290 1 7 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.090 -0.799 19613 2291 1 7 . 1 1 51 51 LEU H H 51 8.210 8.210 8.227 -0.017 19613 2292 1 7 . 1 1 52 52 ASP N N 52 116.940 116.940 118.506 -1.566 19613 2293 1 7 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.553 -0.034 19613 2294 1 7 . 1 1 52 52 ASP C C 52 178.800 178.800 179.033 -0.233 19613 2295 1 7 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.938 0.462 19613 2296 1 7 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.253 0.657 19613 2297 1 7 . 1 1 52 52 ASP H H 52 7.710 7.710 7.992 -0.282 19613 2298 1 7 . 1 1 53 53 GLN N N 53 120.360 120.360 120.634 -0.274 19613 2299 1 7 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.139 -0.159 19613 2300 1 7 . 1 1 53 53 GLN C C 53 178.310 178.310 178.401 -0.091 19613 2301 1 7 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.460 0.910 19613 2302 1 7 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.344 -0.004 19613 2303 1 7 . 1 1 53 53 GLN H H 53 8.200 8.200 7.958 0.242 19613 2304 1 7 . 1 1 54 54 LEU N N 54 118.990 118.990 119.657 -0.667 19613 2305 1 7 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.085 -0.105 19613 2306 1 7 . 1 1 54 54 LEU C C 54 179.660 179.660 178.942 0.718 19613 2307 1 7 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.643 0.107 19613 2308 1 7 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.684 1.756 19613 2309 1 7 . 1 1 54 54 LEU H H 54 8.500 8.500 8.436 0.064 19613 2310 1 7 . 1 1 55 55 ALA N N 55 122.270 122.270 121.382 0.888 19613 2311 1 7 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.441 -0.071 19613 2312 1 7 . 1 1 55 55 ALA C C 55 181.940 181.940 179.679 2.261 19613 2313 1 7 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.488 0.222 19613 2314 1 7 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.585 -0.995 19613 2315 1 7 . 1 1 55 55 ALA H H 55 8.350 8.350 8.030 0.320 19613 2316 1 7 . 1 1 56 56 GLN N N 56 122.320 122.320 118.408 3.912 19613 2317 1 7 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.108 -0.038 19613 2318 1 7 . 1 1 56 56 GLN C C 56 178.840 178.840 178.162 0.678 19613 2319 1 7 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.000 1.180 19613 2320 1 7 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.717 -0.667 19613 2321 1 7 . 1 1 56 56 GLN H H 56 8.610 8.610 7.990 0.620 19613 2322 1 7 . 1 1 57 57 GLU N N 57 115.890 115.890 117.491 -1.601 19613 2323 1 7 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.328 -0.108 19613 2324 1 7 . 1 1 57 57 GLU C C 57 177.000 177.000 176.329 0.671 19613 2325 1 7 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.072 0.608 19613 2326 1 7 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.036 0.754 19613 2327 1 7 . 1 1 57 57 GLU H H 57 8.060 8.060 7.810 0.250 19613 2328 1 7 . 1 1 58 58 GLY N N 58 107.440 107.440 107.079 0.361 19613 2329 1 7 . 1 1 58 58 GLY C C 58 174.340 174.340 174.970 -0.630 19613 2330 1 7 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.816 -0.236 19613 2331 1 7 . 1 1 58 58 GLY H H 58 7.920 7.920 7.685 0.235 19613 2332 1 7 . 1 1 59 59 LYS N N 59 118.190 118.190 118.834 -0.644 19613 2333 1 7 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.460 -0.300 19613 2334 1 7 . 1 1 59 59 LYS C C 59 176.150 176.150 175.784 0.366 19613 2335 1 7 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.297 0.493 19613 2336 1 7 . 1 1 59 59 LYS CB C 59 34.180 34.180 34.006 0.174 19613 2337 1 7 . 1 1 59 59 LYS H H 59 8.170 8.170 8.291 -0.121 19613 2338 1 7 . 1 1 60 60 ILE N N 60 107.860 107.860 113.984 -6.124 19613 2339 1 7 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.823 -0.253 19613 2340 1 7 . 1 1 60 60 ILE C C 60 172.900 172.900 174.159 -1.259 19613 2341 1 7 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.023 -0.483 19613 2342 1 7 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.763 -0.853 19613 2343 1 7 . 1 1 60 60 ILE H H 60 7.140 7.140 7.391 -0.251 19613 2344 1 7 . 1 1 61 61 LYS N N 61 119.750 119.750 120.913 -1.163 19613 2345 1 7 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.489 -0.079 19613 2346 1 7 . 1 1 61 61 LYS C C 61 173.930 173.930 174.540 -0.610 19613 2347 1 7 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.760 -0.500 19613 2348 1 7 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.286 -0.616 19613 2349 1 7 . 1 1 61 61 LYS H H 61 8.670 8.670 8.639 0.031 19613 2350 1 7 . 1 1 62 62 GLU N N 62 117.580 117.580 119.117 -1.537 19613 2351 1 7 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.145 -0.005 19613 2352 1 7 . 1 1 62 62 GLU C C 62 175.630 175.630 175.347 0.283 19613 2353 1 7 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.143 -0.563 19613 2354 1 7 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.017 0.893 19613 2355 1 7 . 1 1 62 62 GLU H H 62 8.130 8.130 8.224 -0.094 19613 2356 1 7 . 1 1 63 63 LYS N N 63 122.890 122.890 123.662 -0.772 19613 2357 1 7 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.671 -0.121 19613 2358 1 7 . 1 1 63 63 LYS C C 63 174.510 174.510 175.534 -1.024 19613 2359 1 7 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.533 -0.523 19613 2360 1 7 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.003 0.277 19613 2361 1 7 . 1 1 63 63 LYS H H 63 8.880 8.880 8.885 -0.005 19613 2362 1 7 . 1 1 64 64 THR N N 64 117.560 117.560 123.832 -6.272 19613 2363 1 7 . 1 1 64 64 THR HA H 64 4.760 4.760 4.360 0.400 19613 2364 1 7 . 1 1 64 64 THR C C 64 173.870 173.870 173.756 0.114 19613 2365 1 7 . 1 1 64 64 THR CA C 64 62.120 62.120 63.891 -1.771 19613 2366 1 7 . 1 1 64 64 THR CB C 64 69.740 69.740 68.984 0.756 19613 2367 1 7 . 1 1 64 64 THR H H 64 8.410 8.410 8.640 -0.230 19613 2368 1 7 . 1 1 65 65 TYR N N 65 127.630 127.630 129.573 -1.943 19613 2369 1 7 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.510 0.200 19613 2370 1 7 . 1 1 65 65 TYR C C 65 175.780 175.780 175.264 0.516 19613 2371 1 7 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.207 -0.677 19613 2372 1 7 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.660 -0.440 19613 2373 1 7 . 1 1 65 65 TYR H H 65 8.770 8.770 8.884 -0.114 19613 2374 1 7 . 1 1 67 67 LYS N N 67 120.220 120.220 123.627 -3.407 19613 2375 1 7 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.440 -0.240 19613 2376 1 7 . 1 1 67 67 LYS C C 67 175.890 175.890 176.409 -0.519 19613 2377 1 7 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.207 0.093 19613 2378 1 7 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.336 -1.156 19613 2379 1 7 . 1 1 67 67 LYS H H 67 8.110 8.110 8.477 -0.367 19613 2380 1 7 . 1 1 68 68 GLN N N 68 119.090 119.090 119.047 0.043 19613 2381 1 7 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.764 -0.084 19613 2382 1 7 . 1 1 68 68 GLN C C 68 174.080 174.080 174.436 -0.356 19613 2383 1 7 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.170 0.630 19613 2384 1 7 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.748 -0.158 19613 2385 1 7 . 1 1 68 68 GLN H H 68 7.920 7.920 7.545 0.375 19613 2386 1 7 . 1 1 69 69 LYS N N 69 123.400 123.400 120.150 3.250 19613 2387 1 7 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.739 0.001 19613 2388 1 7 . 1 1 69 69 LYS C C 69 175.820 175.820 175.662 0.158 19613 2389 1 7 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.535 0.555 19613 2390 1 7 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.508 -0.598 19613 2391 1 7 . 1 1 69 69 LYS H H 69 8.370 8.370 8.513 -0.143 19613 2392 1 7 . 1 1 70 70 ILE N N 70 120.640 120.640 121.071 -0.431 19613 2393 1 7 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.582 -0.022 19613 2394 1 7 . 1 1 70 70 ILE C C 70 173.330 173.330 174.754 -1.424 19613 2395 1 7 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.464 -1.414 19613 2396 1 7 . 1 1 70 70 ILE CB C 70 40.680 40.680 39.963 0.717 19613 2397 1 7 . 1 1 70 70 ILE H H 70 8.780 8.780 8.631 0.149 19613 2398 1 7 . 1 1 71 71 TYR N N 71 120.200 120.200 125.249 -5.049 19613 2399 1 7 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.703 -0.113 19613 2400 1 7 . 1 1 71 71 TYR C C 71 175.840 175.840 175.330 0.510 19613 2401 1 7 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.933 0.877 19613 2402 1 7 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.790 0.730 19613 2403 1 7 . 1 1 71 71 TYR H H 71 8.810 8.810 9.298 -0.488 19613 2404 1 7 . 1 1 72 72 PHE N N 72 113.950 113.950 116.585 -2.635 19613 2405 1 7 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.177 -0.177 19613 2406 1 7 . 1 1 72 72 PHE C C 72 172.950 172.950 173.529 -0.579 19613 2407 1 7 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.843 -0.133 19613 2408 1 7 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.064 -2.014 19613 2409 1 7 . 1 1 72 72 PHE H H 72 8.470 8.470 8.778 -0.308 19613 2410 1 7 . 1 1 73 73 ALA N N 73 123.890 123.890 123.964 -0.074 19613 2411 1 7 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.208 0.332 19613 2412 1 7 . 1 1 73 73 ALA C C 73 176.090 176.090 176.597 -0.507 19613 2413 1 7 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.240 -0.770 19613 2414 1 7 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.399 0.581 19613 2415 1 7 . 1 1 73 73 ALA H H 73 8.850 8.850 8.852 -0.002 19613 2416 1 8 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.174 -0.214 19613 2417 1 8 . 1 1 13 13 PRO C C 13 177.740 177.740 179.038 -1.298 19613 2418 1 8 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.149 0.831 19613 2419 1 8 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.989 -0.569 19613 2420 1 8 . 1 1 14 14 GLY N N 14 103.910 103.910 105.721 -1.811 19613 2421 1 8 . 1 1 14 14 GLY C C 14 176.450 176.450 176.544 -0.094 19613 2422 1 8 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.744 0.456 19613 2423 1 8 . 1 1 14 14 GLY H H 14 7.620 7.620 8.453 -0.833 19613 2424 1 8 . 1 1 15 15 ILE N N 15 122.900 122.900 123.418 -0.518 19613 2425 1 8 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.552 -0.082 19613 2426 1 8 . 1 1 15 15 ILE C C 15 178.810 178.810 177.965 0.845 19613 2427 1 8 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.329 -0.589 19613 2428 1 8 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.791 0.989 19613 2429 1 8 . 1 1 15 15 ILE H H 15 7.660 7.660 7.720 -0.060 19613 2430 1 8 . 1 1 16 16 ILE N N 16 120.300 120.300 119.994 0.306 19613 2431 1 8 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.647 -0.317 19613 2432 1 8 . 1 1 16 16 ILE C C 16 176.680 176.680 178.051 -1.371 19613 2433 1 8 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.552 -0.102 19613 2434 1 8 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.794 0.076 19613 2435 1 8 . 1 1 16 16 ILE H H 16 8.130 8.130 8.462 -0.332 19613 2436 1 8 . 1 1 17 17 LEU N N 17 120.680 120.680 120.871 -0.191 19613 2437 1 8 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.994 -0.134 19613 2438 1 8 . 1 1 17 17 LEU C C 17 177.830 177.830 178.340 -0.510 19613 2439 1 8 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.517 0.043 19613 2440 1 8 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.550 0.090 19613 2441 1 8 . 1 1 17 17 LEU H H 17 8.560 8.560 8.153 0.407 19613 2442 1 8 . 1 1 18 18 ARG N N 18 116.160 116.160 118.528 -2.368 19613 2443 1 8 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.926 0.154 19613 2444 1 8 . 1 1 18 18 ARG C C 18 178.250 178.250 178.478 -0.228 19613 2445 1 8 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.491 -0.171 19613 2446 1 8 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.925 -0.335 19613 2447 1 8 . 1 1 18 18 ARG H H 18 7.580 7.580 8.041 -0.461 19613 2448 1 8 . 1 1 19 19 TYR N N 19 119.280 119.280 120.944 -1.664 19613 2449 1 8 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.215 0.135 19613 2450 1 8 . 1 1 19 19 TYR C C 19 177.480 177.480 177.934 -0.454 19613 2451 1 8 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.367 0.193 19613 2452 1 8 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.254 0.146 19613 2453 1 8 . 1 1 19 19 TYR H H 19 7.820 7.820 8.188 -0.368 19613 2454 1 8 . 1 1 20 20 LEU N N 20 117.650 117.650 118.806 -1.156 19613 2455 1 8 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.869 0.051 19613 2456 1 8 . 1 1 20 20 LEU C C 20 181.270 181.270 179.646 1.624 19613 2457 1 8 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.578 0.772 19613 2458 1 8 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.746 -0.116 19613 2459 1 8 . 1 1 20 20 LEU H H 20 8.610 8.610 8.603 0.007 19613 2460 1 8 . 1 1 21 21 GLN N N 21 119.530 119.530 118.616 0.914 19613 2461 1 8 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.101 -0.181 19613 2462 1 8 . 1 1 21 21 GLN C C 21 177.950 177.950 178.241 -0.291 19613 2463 1 8 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.625 0.215 19613 2464 1 8 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.925 -0.525 19613 2465 1 8 . 1 1 21 21 GLN H H 21 8.630 8.630 8.270 0.360 19613 2466 1 8 . 1 1 22 22 GLU N N 22 118.500 118.500 118.916 -0.416 19613 2467 1 8 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.100 -0.090 19613 2468 1 8 . 1 1 22 22 GLU C C 22 178.790 178.790 178.211 0.579 19613 2469 1 8 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.656 -0.026 19613 2470 1 8 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.892 -0.022 19613 2471 1 8 . 1 1 22 22 GLU H H 22 8.260 8.260 8.167 0.093 19613 2472 1 8 . 1 1 23 23 GLN N N 23 115.130 115.130 116.391 -1.261 19613 2473 1 8 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.267 -0.297 19613 2474 1 8 . 1 1 23 23 GLN C C 23 177.150 177.150 176.456 0.694 19613 2475 1 8 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.163 0.338 19613 2476 1 8 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.368 0.982 19613 2477 1 8 . 1 1 23 23 GLN H H 23 8.110 8.110 7.786 0.324 19613 2478 1 8 . 1 1 24 24 ASN N N 24 113.770 113.770 113.620 0.150 19613 2479 1 8 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.358 0.192 19613 2480 1 8 . 1 1 24 24 ASN C C 24 173.280 173.280 174.122 -0.842 19613 2481 1 8 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.429 -0.569 19613 2482 1 8 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.248 0.592 19613 2483 1 8 . 1 1 24 24 ASN H H 24 8.000 8.000 8.263 -0.263 19613 2484 1 8 . 1 1 25 25 ARG N N 25 113.220 113.220 117.839 -4.619 19613 2485 1 8 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.723 0.007 19613 2486 1 8 . 1 1 25 25 ARG C C 25 172.740 172.740 173.549 -0.809 19613 2487 1 8 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.533 0.857 19613 2488 1 8 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.932 -0.432 19613 2489 1 8 . 1 1 25 25 ARG H H 25 7.100 7.100 7.622 -0.522 19613 2490 1 8 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.833 0.467 19613 2491 1 8 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.342 -1.012 19613 2492 1 8 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.239 0.451 19613 2493 1 8 . 1 1 27 27 TYR N N 27 118.560 118.560 122.063 -3.503 19613 2494 1 8 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.784 0.376 19613 2495 1 8 . 1 1 27 27 TYR C C 27 175.960 175.960 175.928 0.032 19613 2496 1 8 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.874 0.746 19613 2497 1 8 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.661 3.169 19613 2498 1 8 . 1 1 27 27 TYR H H 27 9.040 9.040 9.013 0.027 19613 2499 1 8 . 1 1 28 28 SER N N 28 117.540 117.540 119.041 -1.501 19613 2500 1 8 . 1 1 28 28 SER HA H 28 5.290 5.290 4.891 0.399 19613 2501 1 8 . 1 1 28 28 SER C C 28 175.120 175.120 176.120 -1.000 19613 2502 1 8 . 1 1 28 28 SER CA C 28 56.790 56.790 57.915 -1.125 19613 2503 1 8 . 1 1 28 28 SER CB C 28 65.290 65.290 64.859 0.431 19613 2504 1 8 . 1 1 28 28 SER H H 28 9.590 9.590 8.739 0.851 19613 2505 1 8 . 1 1 29 29 ALA N N 29 122.480 122.480 123.832 -1.352 19613 2506 1 8 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.027 -0.137 19613 2507 1 8 . 1 1 29 29 ALA C C 29 179.570 179.570 180.007 -0.437 19613 2508 1 8 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.693 -0.003 19613 2509 1 8 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.682 0.258 19613 2510 1 8 . 1 1 29 29 ALA H H 29 9.830 9.830 8.839 0.991 19613 2511 1 8 . 1 1 30 30 GLN N N 30 116.680 116.680 117.456 -0.776 19613 2512 1 8 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.208 -0.208 19613 2513 1 8 . 1 1 30 30 GLN C C 30 178.110 178.110 178.454 -0.344 19613 2514 1 8 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.917 0.103 19613 2515 1 8 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.702 -0.792 19613 2516 1 8 . 1 1 30 30 GLN H H 30 8.580 8.580 8.442 0.138 19613 2517 1 8 . 1 1 31 31 ASP N N 31 120.540 120.540 121.575 -1.035 19613 2518 1 8 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.518 0.052 19613 2519 1 8 . 1 1 31 31 ASP C C 31 178.000 178.000 179.005 -1.005 19613 2520 1 8 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.397 -0.327 19613 2521 1 8 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.775 0.235 19613 2522 1 8 . 1 1 31 31 ASP H H 31 7.950 7.950 8.229 -0.279 19613 2523 1 8 . 1 1 32 32 VAL N N 32 120.050 120.050 119.984 0.066 19613 2524 1 8 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.490 -0.380 19613 2525 1 8 . 1 1 32 32 VAL C C 32 176.700 176.700 177.625 -0.925 19613 2526 1 8 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.280 1.400 19613 2527 1 8 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.870 -0.861 19613 2528 1 8 . 1 1 32 32 VAL H H 32 8.220 8.220 8.513 -0.293 19613 2529 1 8 . 1 1 33 33 PHE N N 33 116.980 116.980 121.359 -4.379 19613 2530 1 8 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.132 -0.002 19613 2531 1 8 . 1 1 33 33 PHE C C 33 177.340 177.340 177.129 0.211 19613 2532 1 8 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.839 -0.659 19613 2533 1 8 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.540 -0.120 19613 2534 1 8 . 1 1 33 33 PHE H H 33 8.290 8.290 7.905 0.385 19613 2535 1 8 . 1 1 34 34 GLY N N 34 105.970 105.970 105.939 0.031 19613 2536 1 8 . 1 1 34 34 GLY C C 34 176.440 176.440 176.012 0.428 19613 2537 1 8 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.130 -0.370 19613 2538 1 8 . 1 1 34 34 GLY H H 34 8.560 8.560 8.568 -0.008 19613 2539 1 8 . 1 1 35 35 ASN N N 35 119.330 119.330 120.436 -1.106 19613 2540 1 8 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.460 0.040 19613 2541 1 8 . 1 1 35 35 ASN C C 35 177.080 177.080 177.388 -0.308 19613 2542 1 8 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.308 -0.728 19613 2543 1 8 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.336 -0.626 19613 2544 1 8 . 1 1 35 35 ASN H H 35 8.270 8.270 7.859 0.411 19613 2545 1 8 . 1 1 36 36 LEU N N 36 117.960 117.960 119.591 -1.631 19613 2546 1 8 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.320 0.160 19613 2547 1 8 . 1 1 36 36 LEU C C 36 177.990 177.990 178.867 -0.877 19613 2548 1 8 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.944 -0.854 19613 2549 1 8 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.245 1.025 19613 2550 1 8 . 1 1 36 36 LEU H H 36 7.450 7.450 7.918 -0.468 19613 2551 1 8 . 1 1 37 37 GLN N N 37 121.190 121.190 121.069 0.121 19613 2552 1 8 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.996 -0.146 19613 2553 1 8 . 1 1 37 37 GLN C C 37 178.240 178.240 178.011 0.229 19613 2554 1 8 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.117 1.163 19613 2555 1 8 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.309 -0.329 19613 2556 1 8 . 1 1 37 37 GLN H H 37 7.310 7.310 8.335 -1.025 19613 2557 1 8 . 1 1 38 38 LYS N N 38 119.590 119.590 118.521 1.069 19613 2558 1 8 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.110 -0.250 19613 2559 1 8 . 1 1 38 38 LYS C C 38 178.090 178.090 178.455 -0.365 19613 2560 1 8 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.651 0.749 19613 2561 1 8 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.578 -0.878 19613 2562 1 8 . 1 1 38 38 LYS H H 38 8.500 8.500 7.464 1.036 19613 2563 1 8 . 1 1 39 39 GLU N N 39 116.720 116.720 117.667 -0.947 19613 2564 1 8 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.102 -0.182 19613 2565 1 8 . 1 1 39 39 GLU C C 39 176.580 176.580 177.915 -1.335 19613 2566 1 8 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.369 -0.119 19613 2567 1 8 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.245 0.234 19613 2568 1 8 . 1 1 39 39 GLU H H 39 8.290 8.290 7.887 0.403 19613 2569 1 8 . 1 1 40 40 HIS N N 40 112.640 112.640 114.598 -1.958 19613 2570 1 8 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.730 -0.020 19613 2571 1 8 . 1 1 40 40 HIS C C 40 176.970 176.970 175.584 1.386 19613 2572 1 8 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.034 0.596 19613 2573 1 8 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.145 1.825 19613 2574 1 8 . 1 1 40 40 HIS H H 40 7.640 7.640 7.587 0.053 19613 2575 1 8 . 1 1 41 41 GLY N N 41 108.210 108.210 108.251 -0.041 19613 2576 1 8 . 1 1 41 41 GLY C C 41 174.560 174.560 174.243 0.317 19613 2577 1 8 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.443 1.737 19613 2578 1 8 . 1 1 41 41 GLY H H 41 8.100 8.100 8.074 0.026 19613 2579 1 8 . 1 1 42 42 LEU N N 42 117.300 117.300 121.420 -4.120 19613 2580 1 8 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.409 -0.099 19613 2581 1 8 . 1 1 42 42 LEU C C 42 177.790 177.790 177.545 0.245 19613 2582 1 8 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.928 -0.518 19613 2583 1 8 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.450 0.370 19613 2584 1 8 . 1 1 42 42 LEU H H 42 6.850 6.850 7.735 -0.885 19613 2585 1 8 . 1 1 43 43 GLY N N 43 109.450 109.450 109.312 0.138 19613 2586 1 8 . 1 1 43 43 GLY C C 43 173.630 173.630 174.595 -0.965 19613 2587 1 8 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.541 -0.201 19613 2588 1 8 . 1 1 43 43 GLY H H 43 8.690 8.690 8.333 0.357 19613 2589 1 8 . 1 1 44 44 LYS N N 44 123.130 123.130 121.444 1.686 19613 2590 1 8 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.215 -0.035 19613 2591 1 8 . 1 1 44 44 LYS C C 44 177.960 177.960 178.525 -0.565 19613 2592 1 8 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.004 1.446 19613 2593 1 8 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.812 -0.862 19613 2594 1 8 . 1 1 44 44 LYS H H 44 8.320 8.320 8.640 -0.320 19613 2595 1 8 . 1 1 45 45 ALA N N 45 119.150 119.150 121.472 -2.322 19613 2596 1 8 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.082 -0.112 19613 2597 1 8 . 1 1 45 45 ALA C C 45 180.320 180.320 179.426 0.894 19613 2598 1 8 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.677 0.303 19613 2599 1 8 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.861 -0.481 19613 2600 1 8 . 1 1 45 45 ALA H H 45 8.360 8.360 8.326 0.034 19613 2601 1 8 . 1 1 46 46 ALA N N 46 120.560 120.560 121.888 -1.328 19613 2602 1 8 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.111 -0.081 19613 2603 1 8 . 1 1 46 46 ALA C C 46 180.760 180.760 180.127 0.633 19613 2604 1 8 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.694 -0.164 19613 2605 1 8 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.206 -0.136 19613 2606 1 8 . 1 1 46 46 ALA H H 46 7.530 7.530 8.162 -0.632 19613 2607 1 8 . 1 1 47 47 VAL N N 47 120.280 120.280 119.081 1.199 19613 2608 1 8 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.514 -0.134 19613 2609 1 8 . 1 1 47 47 VAL C C 47 176.860 176.860 177.964 -1.104 19613 2610 1 8 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.669 0.051 19613 2611 1 8 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.873 -0.453 19613 2612 1 8 . 1 1 47 47 VAL H H 47 7.910 7.910 8.076 -0.166 19613 2613 1 8 . 1 1 48 48 VAL N N 48 119.370 119.370 119.631 -0.261 19613 2614 1 8 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.439 -0.089 19613 2615 1 8 . 1 1 48 48 VAL C C 48 178.200 178.200 177.772 0.428 19613 2616 1 8 . 1 1 48 48 VAL CA C 48 66.860 66.860 66.970 -0.110 19613 2617 1 8 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.335 0.645 19613 2618 1 8 . 1 1 48 48 VAL H H 48 8.240 8.240 8.055 0.185 19613 2619 1 8 . 1 1 49 49 LYS N N 49 117.640 117.640 119.269 -1.629 19613 2620 1 8 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.027 0.053 19613 2621 1 8 . 1 1 49 49 LYS C C 49 178.920 178.920 178.896 0.024 19613 2622 1 8 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.488 -0.498 19613 2623 1 8 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.202 0.318 19613 2624 1 8 . 1 1 49 49 LYS H H 49 7.830 7.830 8.214 -0.384 19613 2625 1 8 . 1 1 50 50 ALA N N 50 120.810 120.810 122.905 -2.095 19613 2626 1 8 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.130 -0.070 19613 2627 1 8 . 1 1 50 50 ALA C C 50 179.390 179.390 179.620 -0.230 19613 2628 1 8 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.900 -0.100 19613 2629 1 8 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.081 0.919 19613 2630 1 8 . 1 1 50 50 ALA H H 50 7.920 7.920 7.894 0.026 19613 2631 1 8 . 1 1 51 51 LEU N N 51 118.510 118.510 119.246 -0.736 19613 2632 1 8 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.728 -0.168 19613 2633 1 8 . 1 1 51 51 LEU C C 51 177.800 177.800 178.831 -1.031 19613 2634 1 8 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.048 0.162 19613 2635 1 8 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.188 -0.898 19613 2636 1 8 . 1 1 51 51 LEU H H 51 8.210 8.210 8.169 0.041 19613 2637 1 8 . 1 1 52 52 ASP N N 52 116.940 116.940 118.846 -1.906 19613 2638 1 8 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.425 0.095 19613 2639 1 8 . 1 1 52 52 ASP C C 52 178.800 178.800 178.895 -0.095 19613 2640 1 8 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.366 0.034 19613 2641 1 8 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.075 0.835 19613 2642 1 8 . 1 1 52 52 ASP H H 52 7.710 7.710 8.002 -0.292 19613 2643 1 8 . 1 1 53 53 GLN N N 53 120.360 120.360 120.793 -0.433 19613 2644 1 8 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.096 -0.116 19613 2645 1 8 . 1 1 53 53 GLN C C 53 178.310 178.310 178.437 -0.127 19613 2646 1 8 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.415 0.955 19613 2647 1 8 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.356 -0.016 19613 2648 1 8 . 1 1 53 53 GLN H H 53 8.200 8.200 7.934 0.266 19613 2649 1 8 . 1 1 54 54 LEU N N 54 118.990 118.990 119.246 -0.256 19613 2650 1 8 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.117 -0.137 19613 2651 1 8 . 1 1 54 54 LEU C C 54 179.660 179.660 178.981 0.679 19613 2652 1 8 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.554 0.196 19613 2653 1 8 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.670 1.770 19613 2654 1 8 . 1 1 54 54 LEU H H 54 8.500 8.500 8.449 0.051 19613 2655 1 8 . 1 1 55 55 ALA N N 55 122.270 122.270 121.894 0.376 19613 2656 1 8 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.313 0.057 19613 2657 1 8 . 1 1 55 55 ALA C C 55 181.940 181.940 179.967 1.973 19613 2658 1 8 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.560 0.150 19613 2659 1 8 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.643 -1.053 19613 2660 1 8 . 1 1 55 55 ALA H H 55 8.350 8.350 7.988 0.362 19613 2661 1 8 . 1 1 56 56 GLN N N 56 122.320 122.320 117.726 4.594 19613 2662 1 8 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.069 0.001 19613 2663 1 8 . 1 1 56 56 GLN C C 56 178.840 178.840 178.449 0.391 19613 2664 1 8 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.160 1.020 19613 2665 1 8 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.856 -0.806 19613 2666 1 8 . 1 1 56 56 GLN H H 56 8.610 8.610 8.130 0.480 19613 2667 1 8 . 1 1 57 57 GLU N N 57 115.890 115.890 117.275 -1.385 19613 2668 1 8 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.193 0.027 19613 2669 1 8 . 1 1 57 57 GLU C C 57 177.000 177.000 177.319 -0.319 19613 2670 1 8 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.900 -0.220 19613 2671 1 8 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.130 0.660 19613 2672 1 8 . 1 1 57 57 GLU H H 57 8.060 8.060 7.845 0.215 19613 2673 1 8 . 1 1 58 58 GLY N N 58 107.440 107.440 106.201 1.239 19613 2674 1 8 . 1 1 58 58 GLY C C 58 174.340 174.340 175.206 -0.866 19613 2675 1 8 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.458 0.122 19613 2676 1 8 . 1 1 58 58 GLY H H 58 7.920 7.920 7.945 -0.025 19613 2677 1 8 . 1 1 59 59 LYS N N 59 118.190 118.190 118.360 -0.170 19613 2678 1 8 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.387 -0.227 19613 2679 1 8 . 1 1 59 59 LYS C C 59 176.150 176.150 176.071 0.079 19613 2680 1 8 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.005 0.785 19613 2681 1 8 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.575 0.605 19613 2682 1 8 . 1 1 59 59 LYS H H 59 8.170 8.170 8.542 -0.372 19613 2683 1 8 . 1 1 60 60 ILE N N 60 107.860 107.860 113.256 -5.396 19613 2684 1 8 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.894 -0.324 19613 2685 1 8 . 1 1 60 60 ILE C C 60 172.900 172.900 174.296 -1.396 19613 2686 1 8 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.223 -0.683 19613 2687 1 8 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.983 -1.073 19613 2688 1 8 . 1 1 60 60 ILE H H 60 7.140 7.140 7.305 -0.165 19613 2689 1 8 . 1 1 61 61 LYS N N 61 119.750 119.750 120.419 -0.669 19613 2690 1 8 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.601 -0.191 19613 2691 1 8 . 1 1 61 61 LYS C C 61 173.930 173.930 174.191 -0.261 19613 2692 1 8 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.177 0.083 19613 2693 1 8 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.537 -0.867 19613 2694 1 8 . 1 1 61 61 LYS H H 61 8.670 8.670 8.641 0.029 19613 2695 1 8 . 1 1 62 62 GLU N N 62 117.580 117.580 119.327 -1.747 19613 2696 1 8 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.164 -0.024 19613 2697 1 8 . 1 1 62 62 GLU C C 62 175.630 175.630 175.439 0.191 19613 2698 1 8 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.289 -0.709 19613 2699 1 8 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.921 0.989 19613 2700 1 8 . 1 1 62 62 GLU H H 62 8.130 8.130 8.215 -0.085 19613 2701 1 8 . 1 1 63 63 LYS N N 63 122.890 122.890 123.266 -0.376 19613 2702 1 8 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.650 -0.100 19613 2703 1 8 . 1 1 63 63 LYS C C 63 174.510 174.510 175.413 -0.903 19613 2704 1 8 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.895 0.115 19613 2705 1 8 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.298 -0.018 19613 2706 1 8 . 1 1 63 63 LYS H H 63 8.880 8.880 8.699 0.181 19613 2707 1 8 . 1 1 64 64 THR N N 64 117.560 117.560 119.559 -1.999 19613 2708 1 8 . 1 1 64 64 THR HA H 64 4.760 4.760 4.688 0.072 19613 2709 1 8 . 1 1 64 64 THR C C 64 173.870 173.870 173.958 -0.088 19613 2710 1 8 . 1 1 64 64 THR CA C 64 62.120 62.120 62.614 -0.493 19613 2711 1 8 . 1 1 64 64 THR CB C 64 69.740 69.740 69.194 0.546 19613 2712 1 8 . 1 1 64 64 THR H H 64 8.410 8.410 8.474 -0.064 19613 2713 1 8 . 1 1 65 65 TYR N N 65 127.630 127.630 128.428 -0.798 19613 2714 1 8 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.512 0.198 19613 2715 1 8 . 1 1 65 65 TYR C C 65 175.780 175.780 176.121 -0.341 19613 2716 1 8 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.040 -0.510 19613 2717 1 8 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.797 1.423 19613 2718 1 8 . 1 1 65 65 TYR H H 65 8.770 8.770 8.852 -0.082 19613 2719 1 8 . 1 1 67 67 LYS N N 67 120.220 120.220 123.947 -3.727 19613 2720 1 8 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.442 -0.242 19613 2721 1 8 . 1 1 67 67 LYS C C 67 175.890 175.890 176.347 -0.457 19613 2722 1 8 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.236 0.064 19613 2723 1 8 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.151 -0.971 19613 2724 1 8 . 1 1 67 67 LYS H H 67 8.110 8.110 8.547 -0.437 19613 2725 1 8 . 1 1 68 68 GLN N N 68 119.090 119.090 119.039 0.051 19613 2726 1 8 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.772 -0.092 19613 2727 1 8 . 1 1 68 68 GLN C C 68 174.080 174.080 174.433 -0.353 19613 2728 1 8 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.308 0.492 19613 2729 1 8 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.739 -0.149 19613 2730 1 8 . 1 1 68 68 GLN H H 68 7.920 7.920 7.515 0.405 19613 2731 1 8 . 1 1 69 69 LYS N N 69 123.400 123.400 119.889 3.511 19613 2732 1 8 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.227 -0.487 19613 2733 1 8 . 1 1 69 69 LYS C C 69 175.820 175.820 175.565 0.255 19613 2734 1 8 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.336 0.754 19613 2735 1 8 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.852 -1.942 19613 2736 1 8 . 1 1 69 69 LYS H H 69 8.370 8.370 8.490 -0.120 19613 2737 1 8 . 1 1 70 70 ILE N N 70 120.640 120.640 120.954 -0.314 19613 2738 1 8 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.694 -0.134 19613 2739 1 8 . 1 1 70 70 ILE C C 70 173.330 173.330 174.439 -1.109 19613 2740 1 8 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.500 -1.450 19613 2741 1 8 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.992 -0.312 19613 2742 1 8 . 1 1 70 70 ILE H H 70 8.780 8.780 8.920 -0.140 19613 2743 1 8 . 1 1 71 71 TYR N N 71 120.200 120.200 125.068 -4.868 19613 2744 1 8 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.717 -0.127 19613 2745 1 8 . 1 1 71 71 TYR C C 71 175.840 175.840 175.293 0.547 19613 2746 1 8 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.991 0.819 19613 2747 1 8 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.741 0.779 19613 2748 1 8 . 1 1 71 71 TYR H H 71 8.810 8.810 9.309 -0.499 19613 2749 1 8 . 1 1 72 72 PHE N N 72 113.950 113.950 116.766 -2.816 19613 2750 1 8 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.191 -0.191 19613 2751 1 8 . 1 1 72 72 PHE C C 72 172.950 172.950 173.483 -0.533 19613 2752 1 8 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.768 -0.058 19613 2753 1 8 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.063 -2.013 19613 2754 1 8 . 1 1 72 72 PHE H H 72 8.470 8.470 8.726 -0.256 19613 2755 1 8 . 1 1 73 73 ALA N N 73 123.890 123.890 124.045 -0.155 19613 2756 1 8 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.252 0.288 19613 2757 1 8 . 1 1 73 73 ALA C C 73 176.090 176.090 176.819 -0.729 19613 2758 1 8 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.450 -0.980 19613 2759 1 8 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.410 0.570 19613 2760 1 8 . 1 1 73 73 ALA H H 73 8.850 8.850 8.845 0.005 19613 2761 1 9 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.158 -0.198 19613 2762 1 9 . 1 1 13 13 PRO C C 13 177.740 177.740 179.060 -1.320 19613 2763 1 9 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.162 0.818 19613 2764 1 9 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.965 -0.545 19613 2765 1 9 . 1 1 14 14 GLY N N 14 103.910 103.910 105.898 -1.988 19613 2766 1 9 . 1 1 14 14 GLY C C 14 176.450 176.450 176.531 -0.081 19613 2767 1 9 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.748 0.452 19613 2768 1 9 . 1 1 14 14 GLY H H 14 7.620 7.620 8.407 -0.787 19613 2769 1 9 . 1 1 15 15 ILE N N 15 122.900 122.900 123.346 -0.446 19613 2770 1 9 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.551 -0.081 19613 2771 1 9 . 1 1 15 15 ILE C C 15 178.810 178.810 177.983 0.827 19613 2772 1 9 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.352 -0.612 19613 2773 1 9 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.773 1.007 19613 2774 1 9 . 1 1 15 15 ILE H H 15 7.660 7.660 7.694 -0.034 19613 2775 1 9 . 1 1 16 16 ILE N N 16 120.300 120.300 119.813 0.487 19613 2776 1 9 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.685 -0.355 19613 2777 1 9 . 1 1 16 16 ILE C C 16 176.680 176.680 178.030 -1.350 19613 2778 1 9 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.420 0.030 19613 2779 1 9 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.872 -0.002 19613 2780 1 9 . 1 1 16 16 ILE H H 16 8.130 8.130 8.285 -0.155 19613 2781 1 9 . 1 1 17 17 LEU N N 17 120.680 120.680 121.184 -0.504 19613 2782 1 9 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.973 -0.113 19613 2783 1 9 . 1 1 17 17 LEU C C 17 177.830 177.830 178.564 -0.734 19613 2784 1 9 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.570 -0.010 19613 2785 1 9 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.615 0.025 19613 2786 1 9 . 1 1 17 17 LEU H H 17 8.560 8.560 8.280 0.280 19613 2787 1 9 . 1 1 18 18 ARG N N 18 116.160 116.160 117.662 -1.502 19613 2788 1 9 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.008 0.072 19613 2789 1 9 . 1 1 18 18 ARG C C 18 178.250 178.250 178.925 -0.675 19613 2790 1 9 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.477 -0.157 19613 2791 1 9 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.002 -0.412 19613 2792 1 9 . 1 1 18 18 ARG H H 18 7.580 7.580 7.976 -0.396 19613 2793 1 9 . 1 1 19 19 TYR N N 19 119.280 119.280 122.446 -3.166 19613 2794 1 9 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.227 0.123 19613 2795 1 9 . 1 1 19 19 TYR C C 19 177.480 177.480 177.676 -0.196 19613 2796 1 9 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.416 0.144 19613 2797 1 9 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.254 0.146 19613 2798 1 9 . 1 1 19 19 TYR H H 19 7.820 7.820 8.205 -0.385 19613 2799 1 9 . 1 1 20 20 LEU N N 20 117.650 117.650 118.587 -0.937 19613 2800 1 9 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.848 0.072 19613 2801 1 9 . 1 1 20 20 LEU C C 20 181.270 181.270 179.610 1.660 19613 2802 1 9 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.550 0.800 19613 2803 1 9 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.687 -0.057 19613 2804 1 9 . 1 1 20 20 LEU H H 20 8.610 8.610 8.615 -0.005 19613 2805 1 9 . 1 1 21 21 GLN N N 21 119.530 119.530 118.668 0.862 19613 2806 1 9 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.092 -0.172 19613 2807 1 9 . 1 1 21 21 GLN C C 21 177.950 177.950 178.221 -0.271 19613 2808 1 9 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.695 0.145 19613 2809 1 9 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.851 -0.451 19613 2810 1 9 . 1 1 21 21 GLN H H 21 8.630 8.630 8.188 0.442 19613 2811 1 9 . 1 1 22 22 GLU N N 22 118.500 118.500 118.871 -0.371 19613 2812 1 9 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.092 -0.082 19613 2813 1 9 . 1 1 22 22 GLU C C 22 178.790 178.790 178.262 0.528 19613 2814 1 9 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.649 -0.019 19613 2815 1 9 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.867 0.003 19613 2816 1 9 . 1 1 22 22 GLU H H 22 8.260 8.260 8.051 0.209 19613 2817 1 9 . 1 1 23 23 GLN N N 23 115.130 115.130 116.716 -1.586 19613 2818 1 9 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.281 -0.311 19613 2819 1 9 . 1 1 23 23 GLN C C 23 177.150 177.150 176.632 0.518 19613 2820 1 9 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.011 0.488 19613 2821 1 9 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.223 1.127 19613 2822 1 9 . 1 1 23 23 GLN H H 23 8.110 8.110 7.806 0.304 19613 2823 1 9 . 1 1 24 24 ASN N N 24 113.770 113.770 115.953 -2.183 19613 2824 1 9 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.376 0.174 19613 2825 1 9 . 1 1 24 24 ASN C C 24 173.280 173.280 173.875 -0.595 19613 2826 1 9 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.132 -0.272 19613 2827 1 9 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.580 0.260 19613 2828 1 9 . 1 1 24 24 ASN H H 24 8.000 8.000 8.199 -0.199 19613 2829 1 9 . 1 1 25 25 ARG N N 25 113.220 113.220 116.902 -3.682 19613 2830 1 9 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.677 0.053 19613 2831 1 9 . 1 1 25 25 ARG C C 25 172.740 172.740 173.392 -0.652 19613 2832 1 9 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.549 0.841 19613 2833 1 9 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.073 -0.573 19613 2834 1 9 . 1 1 25 25 ARG H H 25 7.100 7.100 7.691 -0.591 19613 2835 1 9 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.742 0.558 19613 2836 1 9 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.372 -1.042 19613 2837 1 9 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.070 0.620 19613 2838 1 9 . 1 1 27 27 TYR N N 27 118.560 118.560 122.625 -4.065 19613 2839 1 9 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.787 0.373 19613 2840 1 9 . 1 1 27 27 TYR C C 27 175.960 175.960 175.817 0.143 19613 2841 1 9 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.828 0.792 19613 2842 1 9 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.553 3.277 19613 2843 1 9 . 1 1 27 27 TYR H H 27 9.040 9.040 8.979 0.061 19613 2844 1 9 . 1 1 28 28 SER N N 28 117.540 117.540 118.883 -1.343 19613 2845 1 9 . 1 1 28 28 SER HA H 28 5.290 5.290 5.029 0.261 19613 2846 1 9 . 1 1 28 28 SER C C 28 175.120 175.120 176.113 -0.993 19613 2847 1 9 . 1 1 28 28 SER CA C 28 56.790 56.790 57.595 -0.805 19613 2848 1 9 . 1 1 28 28 SER CB C 28 65.290 65.290 65.130 0.160 19613 2849 1 9 . 1 1 28 28 SER H H 28 9.590 9.590 9.282 0.308 19613 2850 1 9 . 1 1 29 29 ALA N N 29 122.480 122.480 123.376 -0.896 19613 2851 1 9 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.089 -0.199 19613 2852 1 9 . 1 1 29 29 ALA C C 29 179.570 179.570 180.029 -0.459 19613 2853 1 9 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.706 -0.016 19613 2854 1 9 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.666 0.274 19613 2855 1 9 . 1 1 29 29 ALA H H 29 9.830 9.830 8.912 0.918 19613 2856 1 9 . 1 1 30 30 GLN N N 30 116.680 116.680 117.582 -0.902 19613 2857 1 9 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.201 -0.201 19613 2858 1 9 . 1 1 30 30 GLN C C 30 178.110 178.110 178.457 -0.347 19613 2859 1 9 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.882 0.138 19613 2860 1 9 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.651 -0.741 19613 2861 1 9 . 1 1 30 30 GLN H H 30 8.580 8.580 8.425 0.155 19613 2862 1 9 . 1 1 31 31 ASP N N 31 120.540 120.540 121.726 -1.186 19613 2863 1 9 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.495 0.075 19613 2864 1 9 . 1 1 31 31 ASP C C 31 178.000 178.000 178.964 -0.964 19613 2865 1 9 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.567 -0.497 19613 2866 1 9 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.751 0.259 19613 2867 1 9 . 1 1 31 31 ASP H H 31 7.950 7.950 8.231 -0.281 19613 2868 1 9 . 1 1 32 32 VAL N N 32 120.050 120.050 119.643 0.407 19613 2869 1 9 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.474 -0.364 19613 2870 1 9 . 1 1 32 32 VAL C C 32 176.700 176.700 177.724 -1.024 19613 2871 1 9 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.135 1.545 19613 2872 1 9 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.870 -0.860 19613 2873 1 9 . 1 1 32 32 VAL H H 32 8.220 8.220 8.288 -0.068 19613 2874 1 9 . 1 1 33 33 PHE N N 33 116.980 116.980 121.417 -4.437 19613 2875 1 9 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.138 -0.008 19613 2876 1 9 . 1 1 33 33 PHE C C 33 177.340 177.340 177.166 0.174 19613 2877 1 9 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.966 -0.786 19613 2878 1 9 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.556 -0.136 19613 2879 1 9 . 1 1 33 33 PHE H H 33 8.290 8.290 7.819 0.471 19613 2880 1 9 . 1 1 34 34 GLY N N 34 105.970 105.970 105.959 0.011 19613 2881 1 9 . 1 1 34 34 GLY C C 34 176.440 176.440 176.018 0.422 19613 2882 1 9 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.153 -0.393 19613 2883 1 9 . 1 1 34 34 GLY H H 34 8.560 8.560 8.589 -0.029 19613 2884 1 9 . 1 1 35 35 ASN N N 35 119.330 119.330 120.323 -0.993 19613 2885 1 9 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.464 0.036 19613 2886 1 9 . 1 1 35 35 ASN C C 35 177.080 177.080 177.480 -0.400 19613 2887 1 9 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.307 -0.727 19613 2888 1 9 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.360 -0.650 19613 2889 1 9 . 1 1 35 35 ASN H H 35 8.270 8.270 7.873 0.397 19613 2890 1 9 . 1 1 36 36 LEU N N 36 117.960 117.960 119.662 -1.702 19613 2891 1 9 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.296 0.184 19613 2892 1 9 . 1 1 36 36 LEU C C 36 177.990 177.990 178.590 -0.600 19613 2893 1 9 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.999 -0.909 19613 2894 1 9 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.346 0.924 19613 2895 1 9 . 1 1 36 36 LEU H H 36 7.450 7.450 7.918 -0.468 19613 2896 1 9 . 1 1 37 37 GLN N N 37 121.190 121.190 121.072 0.118 19613 2897 1 9 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.927 -0.077 19613 2898 1 9 . 1 1 37 37 GLN C C 37 178.240 178.240 178.032 0.208 19613 2899 1 9 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.262 1.018 19613 2900 1 9 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.238 -0.258 19613 2901 1 9 . 1 1 37 37 GLN H H 37 7.310 7.310 8.332 -1.022 19613 2902 1 9 . 1 1 38 38 LYS N N 38 119.590 119.590 117.975 1.615 19613 2903 1 9 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.119 -0.259 19613 2904 1 9 . 1 1 38 38 LYS C C 38 178.090 178.090 178.418 -0.328 19613 2905 1 9 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.509 0.891 19613 2906 1 9 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.514 -0.814 19613 2907 1 9 . 1 1 38 38 LYS H H 38 8.500 8.500 7.495 1.005 19613 2908 1 9 . 1 1 39 39 GLU N N 39 116.720 116.720 117.145 -0.425 19613 2909 1 9 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.120 -0.200 19613 2910 1 9 . 1 1 39 39 GLU C C 39 176.580 176.580 177.704 -1.124 19613 2911 1 9 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.149 0.101 19613 2912 1 9 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.340 0.140 19613 2913 1 9 . 1 1 39 39 GLU H H 39 8.290 8.290 7.894 0.396 19613 2914 1 9 . 1 1 40 40 HIS N N 40 112.640 112.640 115.036 -2.396 19613 2915 1 9 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.730 -0.020 19613 2916 1 9 . 1 1 40 40 HIS C C 40 176.970 176.970 175.776 1.194 19613 2917 1 9 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.388 0.242 19613 2918 1 9 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.905 1.065 19613 2919 1 9 . 1 1 40 40 HIS H H 40 7.640 7.640 7.799 -0.159 19613 2920 1 9 . 1 1 41 41 GLY N N 41 108.210 108.210 108.234 -0.024 19613 2921 1 9 . 1 1 41 41 GLY C C 41 174.560 174.560 174.192 0.368 19613 2922 1 9 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.218 1.962 19613 2923 1 9 . 1 1 41 41 GLY H H 41 8.100 8.100 8.208 -0.108 19613 2924 1 9 . 1 1 42 42 LEU N N 42 117.300 117.300 121.616 -4.316 19613 2925 1 9 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.403 -0.093 19613 2926 1 9 . 1 1 42 42 LEU C C 42 177.790 177.790 177.664 0.126 19613 2927 1 9 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.891 -0.481 19613 2928 1 9 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.445 0.375 19613 2929 1 9 . 1 1 42 42 LEU H H 42 6.850 6.850 7.347 -0.497 19613 2930 1 9 . 1 1 43 43 GLY N N 43 109.450 109.450 109.222 0.228 19613 2931 1 9 . 1 1 43 43 GLY C C 43 173.630 173.630 174.662 -1.032 19613 2932 1 9 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.590 -0.250 19613 2933 1 9 . 1 1 43 43 GLY H H 43 8.690 8.690 8.305 0.385 19613 2934 1 9 . 1 1 44 44 LYS N N 44 123.130 123.130 121.664 1.466 19613 2935 1 9 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.232 -0.052 19613 2936 1 9 . 1 1 44 44 LYS C C 44 177.960 177.960 178.537 -0.577 19613 2937 1 9 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.031 1.419 19613 2938 1 9 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.867 -0.917 19613 2939 1 9 . 1 1 44 44 LYS H H 44 8.320 8.320 8.667 -0.347 19613 2940 1 9 . 1 1 45 45 ALA N N 45 119.150 119.150 121.455 -2.305 19613 2941 1 9 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.092 -0.122 19613 2942 1 9 . 1 1 45 45 ALA C C 45 180.320 180.320 179.431 0.889 19613 2943 1 9 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.649 0.331 19613 2944 1 9 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.858 -0.478 19613 2945 1 9 . 1 1 45 45 ALA H H 45 8.360 8.360 8.336 0.024 19613 2946 1 9 . 1 1 46 46 ALA N N 46 120.560 120.560 122.011 -1.451 19613 2947 1 9 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.105 -0.075 19613 2948 1 9 . 1 1 46 46 ALA C C 46 180.760 180.760 180.108 0.652 19613 2949 1 9 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.715 -0.185 19613 2950 1 9 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.210 -0.140 19613 2951 1 9 . 1 1 46 46 ALA H H 46 7.530 7.530 8.168 -0.638 19613 2952 1 9 . 1 1 47 47 VAL N N 47 120.280 120.280 119.010 1.270 19613 2953 1 9 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.522 -0.142 19613 2954 1 9 . 1 1 47 47 VAL C C 47 176.860 176.860 177.970 -1.110 19613 2955 1 9 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.630 0.090 19613 2956 1 9 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.887 -0.468 19613 2957 1 9 . 1 1 47 47 VAL H H 47 7.910 7.910 8.075 -0.165 19613 2958 1 9 . 1 1 48 48 VAL N N 48 119.370 119.370 119.754 -0.384 19613 2959 1 9 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.459 -0.109 19613 2960 1 9 . 1 1 48 48 VAL C C 48 178.200 178.200 177.727 0.473 19613 2961 1 9 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.037 -0.177 19613 2962 1 9 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.357 0.623 19613 2963 1 9 . 1 1 48 48 VAL H H 48 8.240 8.240 8.040 0.200 19613 2964 1 9 . 1 1 49 49 LYS N N 49 117.640 117.640 119.051 -1.411 19613 2965 1 9 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.996 0.084 19613 2966 1 9 . 1 1 49 49 LYS C C 49 178.920 178.920 178.925 -0.005 19613 2967 1 9 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.504 -0.514 19613 2968 1 9 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.179 0.341 19613 2969 1 9 . 1 1 49 49 LYS H H 49 7.830 7.830 8.151 -0.321 19613 2970 1 9 . 1 1 50 50 ALA N N 50 120.810 120.810 123.011 -2.201 19613 2971 1 9 . 1 1 50 50 ALA HA H 50 4.060 4.060 3.974 0.086 19613 2972 1 9 . 1 1 50 50 ALA C C 50 179.390 179.390 179.130 0.260 19613 2973 1 9 . 1 1 50 50 ALA CA C 50 54.800 54.800 55.072 -0.272 19613 2974 1 9 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.331 0.669 19613 2975 1 9 . 1 1 50 50 ALA H H 50 7.920 7.920 7.971 -0.051 19613 2976 1 9 . 1 1 51 51 LEU N N 51 118.510 118.510 119.242 -0.732 19613 2977 1 9 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.623 -0.063 19613 2978 1 9 . 1 1 51 51 LEU C C 51 177.800 177.800 178.687 -0.887 19613 2979 1 9 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.075 0.135 19613 2980 1 9 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.074 -0.784 19613 2981 1 9 . 1 1 51 51 LEU H H 51 8.210 8.210 8.218 -0.008 19613 2982 1 9 . 1 1 52 52 ASP N N 52 116.940 116.940 118.260 -1.320 19613 2983 1 9 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.477 0.043 19613 2984 1 9 . 1 1 52 52 ASP C C 52 178.800 178.800 178.949 -0.149 19613 2985 1 9 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.230 0.170 19613 2986 1 9 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.128 0.782 19613 2987 1 9 . 1 1 52 52 ASP H H 52 7.710 7.710 7.811 -0.101 19613 2988 1 9 . 1 1 53 53 GLN N N 53 120.360 120.360 120.426 -0.066 19613 2989 1 9 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.132 -0.152 19613 2990 1 9 . 1 1 53 53 GLN C C 53 178.310 178.310 178.451 -0.141 19613 2991 1 9 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.350 1.020 19613 2992 1 9 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.355 -0.015 19613 2993 1 9 . 1 1 53 53 GLN H H 53 8.200 8.200 7.893 0.307 19613 2994 1 9 . 1 1 54 54 LEU N N 54 118.990 118.990 119.852 -0.862 19613 2995 1 9 . 1 1 54 54 LEU HA H 54 3.980 3.980 3.947 0.033 19613 2996 1 9 . 1 1 54 54 LEU C C 54 179.660 179.660 178.764 0.896 19613 2997 1 9 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.717 0.033 19613 2998 1 9 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.612 1.828 19613 2999 1 9 . 1 1 54 54 LEU H H 54 8.500 8.500 8.326 0.174 19613 3000 1 9 . 1 1 55 55 ALA N N 55 122.270 122.270 120.998 1.272 19613 3001 1 9 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.347 0.023 19613 3002 1 9 . 1 1 55 55 ALA C C 55 181.940 181.940 179.721 2.219 19613 3003 1 9 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.496 0.214 19613 3004 1 9 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.536 -0.946 19613 3005 1 9 . 1 1 55 55 ALA H H 55 8.350 8.350 8.027 0.323 19613 3006 1 9 . 1 1 56 56 GLN N N 56 122.320 122.320 118.277 4.043 19613 3007 1 9 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.109 -0.039 19613 3008 1 9 . 1 1 56 56 GLN C C 56 178.840 178.840 178.039 0.801 19613 3009 1 9 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.048 1.132 19613 3010 1 9 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.712 -0.662 19613 3011 1 9 . 1 1 56 56 GLN H H 56 8.610 8.610 8.061 0.549 19613 3012 1 9 . 1 1 57 57 GLU N N 57 115.890 115.890 116.196 -0.306 19613 3013 1 9 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.377 -0.157 19613 3014 1 9 . 1 1 57 57 GLU C C 57 177.000 177.000 176.032 0.968 19613 3015 1 9 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.087 0.594 19613 3016 1 9 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.135 0.655 19613 3017 1 9 . 1 1 57 57 GLU H H 57 8.060 8.060 7.601 0.459 19613 3018 1 9 . 1 1 58 58 GLY N N 58 107.440 107.440 106.757 0.683 19613 3019 1 9 . 1 1 58 58 GLY C C 58 174.340 174.340 175.347 -1.007 19613 3020 1 9 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.813 -0.233 19613 3021 1 9 . 1 1 58 58 GLY H H 58 7.920 7.920 7.338 0.582 19613 3022 1 9 . 1 1 59 59 LYS N N 59 118.190 118.190 118.626 -0.436 19613 3023 1 9 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.405 -0.245 19613 3024 1 9 . 1 1 59 59 LYS C C 59 176.150 176.150 176.114 0.036 19613 3025 1 9 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.017 0.773 19613 3026 1 9 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.443 0.737 19613 3027 1 9 . 1 1 59 59 LYS H H 59 8.170 8.170 8.566 -0.396 19613 3028 1 9 . 1 1 60 60 ILE N N 60 107.860 107.860 112.929 -5.069 19613 3029 1 9 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.740 -0.170 19613 3030 1 9 . 1 1 60 60 ILE C C 60 172.900 172.900 174.133 -1.233 19613 3031 1 9 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.251 -0.711 19613 3032 1 9 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.998 -1.088 19613 3033 1 9 . 1 1 60 60 ILE H H 60 7.140 7.140 7.290 -0.150 19613 3034 1 9 . 1 1 61 61 LYS N N 61 119.750 119.750 120.168 -0.418 19613 3035 1 9 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.471 -0.061 19613 3036 1 9 . 1 1 61 61 LYS C C 61 173.930 173.930 174.547 -0.617 19613 3037 1 9 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.789 -0.529 19613 3038 1 9 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.056 -0.386 19613 3039 1 9 . 1 1 61 61 LYS H H 61 8.670 8.670 8.544 0.126 19613 3040 1 9 . 1 1 62 62 GLU N N 62 117.580 117.580 119.171 -1.591 19613 3041 1 9 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.145 -0.005 19613 3042 1 9 . 1 1 62 62 GLU C C 62 175.630 175.630 175.502 0.128 19613 3043 1 9 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.196 -0.616 19613 3044 1 9 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.964 0.946 19613 3045 1 9 . 1 1 62 62 GLU H H 62 8.130 8.130 8.265 -0.135 19613 3046 1 9 . 1 1 63 63 LYS N N 63 122.890 122.890 121.778 1.112 19613 3047 1 9 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.711 -0.161 19613 3048 1 9 . 1 1 63 63 LYS C C 63 174.510 174.510 175.076 -0.566 19613 3049 1 9 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.896 0.114 19613 3050 1 9 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.804 -0.524 19613 3051 1 9 . 1 1 63 63 LYS H H 63 8.880 8.880 8.947 -0.067 19613 3052 1 9 . 1 1 64 64 THR N N 64 117.560 117.560 118.425 -0.865 19613 3053 1 9 . 1 1 64 64 THR HA H 64 4.760 4.760 4.857 -0.097 19613 3054 1 9 . 1 1 64 64 THR C C 64 173.870 173.870 173.725 0.145 19613 3055 1 9 . 1 1 64 64 THR CA C 64 62.120 62.120 62.378 -0.258 19613 3056 1 9 . 1 1 64 64 THR CB C 64 69.740 69.740 69.408 0.332 19613 3057 1 9 . 1 1 64 64 THR H H 64 8.410 8.410 8.485 -0.075 19613 3058 1 9 . 1 1 65 65 TYR N N 65 127.630 127.630 129.658 -2.028 19613 3059 1 9 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.519 0.191 19613 3060 1 9 . 1 1 65 65 TYR C C 65 175.780 175.780 175.555 0.225 19613 3061 1 9 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.858 -0.328 19613 3062 1 9 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.226 -0.006 19613 3063 1 9 . 1 1 65 65 TYR H H 65 8.770 8.770 9.036 -0.266 19613 3064 1 9 . 1 1 67 67 LYS N N 67 120.220 120.220 124.023 -3.803 19613 3065 1 9 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.496 -0.296 19613 3066 1 9 . 1 1 67 67 LYS C C 67 175.890 175.890 175.364 0.526 19613 3067 1 9 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.691 0.609 19613 3068 1 9 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.349 -1.169 19613 3069 1 9 . 1 1 67 67 LYS H H 67 8.110 8.110 8.521 -0.411 19613 3070 1 9 . 1 1 68 68 GLN N N 68 119.090 119.090 120.093 -1.003 19613 3071 1 9 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.593 0.087 19613 3072 1 9 . 1 1 68 68 GLN C C 68 174.080 174.080 174.861 -0.781 19613 3073 1 9 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.233 0.567 19613 3074 1 9 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.124 0.466 19613 3075 1 9 . 1 1 68 68 GLN H H 68 7.920 7.920 7.799 0.121 19613 3076 1 9 . 1 1 69 69 LYS N N 69 123.400 123.400 122.396 1.004 19613 3077 1 9 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.948 -0.208 19613 3078 1 9 . 1 1 69 69 LYS C C 69 175.820 175.820 175.715 0.105 19613 3079 1 9 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.382 0.708 19613 3080 1 9 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.013 -0.103 19613 3081 1 9 . 1 1 69 69 LYS H H 69 8.370 8.370 8.687 -0.317 19613 3082 1 9 . 1 1 70 70 ILE N N 70 120.640 120.640 122.958 -2.318 19613 3083 1 9 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.652 -0.092 19613 3084 1 9 . 1 1 70 70 ILE C C 70 173.330 173.330 174.255 -0.925 19613 3085 1 9 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.560 -1.510 19613 3086 1 9 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.507 0.173 19613 3087 1 9 . 1 1 70 70 ILE H H 70 8.780 8.780 8.744 0.036 19613 3088 1 9 . 1 1 71 71 TYR N N 71 120.200 120.200 125.431 -5.231 19613 3089 1 9 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.628 -0.038 19613 3090 1 9 . 1 1 71 71 TYR C C 71 175.840 175.840 175.202 0.638 19613 3091 1 9 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.064 0.746 19613 3092 1 9 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.996 0.524 19613 3093 1 9 . 1 1 71 71 TYR H H 71 8.810 8.810 9.296 -0.486 19613 3094 1 9 . 1 1 72 72 PHE N N 72 113.950 113.950 116.489 -2.539 19613 3095 1 9 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.190 -0.190 19613 3096 1 9 . 1 1 72 72 PHE C C 72 172.950 172.950 173.654 -0.704 19613 3097 1 9 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.764 -0.054 19613 3098 1 9 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.059 -2.009 19613 3099 1 9 . 1 1 72 72 PHE H H 72 8.470 8.470 8.706 -0.236 19613 3100 1 9 . 1 1 73 73 ALA N N 73 123.890 123.890 123.401 0.489 19613 3101 1 9 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.103 0.437 19613 3102 1 9 . 1 1 73 73 ALA C C 73 176.090 176.090 177.274 -1.184 19613 3103 1 9 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.380 -0.910 19613 3104 1 9 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.167 0.813 19613 3105 1 9 . 1 1 73 73 ALA H H 73 8.850 8.850 8.770 0.080 19613 3106 1 10 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.166 -0.206 19613 3107 1 10 . 1 1 13 13 PRO C C 13 177.740 177.740 179.052 -1.312 19613 3108 1 10 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.122 0.858 19613 3109 1 10 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.980 -0.560 19613 3110 1 10 . 1 1 14 14 GLY N N 14 103.910 103.910 105.821 -1.911 19613 3111 1 10 . 1 1 14 14 GLY C C 14 176.450 176.450 176.518 -0.068 19613 3112 1 10 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.743 0.457 19613 3113 1 10 . 1 1 14 14 GLY H H 14 7.620 7.620 8.345 -0.725 19613 3114 1 10 . 1 1 15 15 ILE N N 15 122.900 122.900 123.356 -0.456 19613 3115 1 10 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.549 -0.079 19613 3116 1 10 . 1 1 15 15 ILE C C 15 178.810 178.810 177.952 0.858 19613 3117 1 10 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.334 -0.594 19613 3118 1 10 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.778 1.002 19613 3119 1 10 . 1 1 15 15 ILE H H 15 7.660 7.660 7.654 0.006 19613 3120 1 10 . 1 1 16 16 ILE N N 16 120.300 120.300 119.844 0.456 19613 3121 1 10 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.688 -0.358 19613 3122 1 10 . 1 1 16 16 ILE C C 16 176.680 176.680 178.028 -1.348 19613 3123 1 10 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.396 0.054 19613 3124 1 10 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.872 -0.002 19613 3125 1 10 . 1 1 16 16 ILE H H 16 8.130 8.130 8.349 -0.219 19613 3126 1 10 . 1 1 17 17 LEU N N 17 120.680 120.680 121.169 -0.489 19613 3127 1 10 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.975 -0.115 19613 3128 1 10 . 1 1 17 17 LEU C C 17 177.830 177.830 178.320 -0.490 19613 3129 1 10 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.558 0.002 19613 3130 1 10 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.514 0.126 19613 3131 1 10 . 1 1 17 17 LEU H H 17 8.560 8.560 8.255 0.305 19613 3132 1 10 . 1 1 18 18 ARG N N 18 116.160 116.160 118.432 -2.272 19613 3133 1 10 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.926 0.154 19613 3134 1 10 . 1 1 18 18 ARG C C 18 178.250 178.250 178.466 -0.216 19613 3135 1 10 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.480 -0.160 19613 3136 1 10 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.939 -0.350 19613 3137 1 10 . 1 1 18 18 ARG H H 18 7.580 7.580 7.976 -0.396 19613 3138 1 10 . 1 1 19 19 TYR N N 19 119.280 119.280 120.921 -1.641 19613 3139 1 10 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.198 0.152 19613 3140 1 10 . 1 1 19 19 TYR C C 19 177.480 177.480 177.908 -0.428 19613 3141 1 10 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.497 0.063 19613 3142 1 10 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.264 0.136 19613 3143 1 10 . 1 1 19 19 TYR H H 19 7.820 7.820 8.123 -0.303 19613 3144 1 10 . 1 1 20 20 LEU N N 20 117.650 117.650 118.643 -0.993 19613 3145 1 10 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.866 0.054 19613 3146 1 10 . 1 1 20 20 LEU C C 20 181.270 181.270 179.628 1.642 19613 3147 1 10 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.557 0.793 19613 3148 1 10 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.747 -0.117 19613 3149 1 10 . 1 1 20 20 LEU H H 20 8.610 8.610 8.679 -0.069 19613 3150 1 10 . 1 1 21 21 GLN N N 21 119.530 119.530 118.719 0.811 19613 3151 1 10 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.097 -0.177 19613 3152 1 10 . 1 1 21 21 GLN C C 21 177.950 177.950 178.274 -0.324 19613 3153 1 10 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.751 0.089 19613 3154 1 10 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.893 -0.493 19613 3155 1 10 . 1 1 21 21 GLN H H 21 8.630 8.630 8.251 0.379 19613 3156 1 10 . 1 1 22 22 GLU N N 22 118.500 118.500 118.861 -0.361 19613 3157 1 10 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.102 -0.092 19613 3158 1 10 . 1 1 22 22 GLU C C 22 178.790 178.790 178.256 0.534 19613 3159 1 10 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.612 0.018 19613 3160 1 10 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.886 -0.016 19613 3161 1 10 . 1 1 22 22 GLU H H 22 8.260 8.260 8.152 0.108 19613 3162 1 10 . 1 1 23 23 GLN N N 23 115.130 115.130 116.773 -1.643 19613 3163 1 10 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.276 -0.306 19613 3164 1 10 . 1 1 23 23 GLN C C 23 177.150 177.150 176.648 0.502 19613 3165 1 10 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.022 0.478 19613 3166 1 10 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.180 1.170 19613 3167 1 10 . 1 1 23 23 GLN H H 23 8.110 8.110 7.769 0.341 19613 3168 1 10 . 1 1 24 24 ASN N N 24 113.770 113.770 115.946 -2.176 19613 3169 1 10 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.379 0.171 19613 3170 1 10 . 1 1 24 24 ASN C C 24 173.280 173.280 173.884 -0.604 19613 3171 1 10 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.159 -0.299 19613 3172 1 10 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.594 0.246 19613 3173 1 10 . 1 1 24 24 ASN H H 24 8.000 8.000 8.221 -0.221 19613 3174 1 10 . 1 1 25 25 ARG N N 25 113.220 113.220 116.887 -3.667 19613 3175 1 10 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.681 0.049 19613 3176 1 10 . 1 1 25 25 ARG C C 25 172.740 172.740 173.435 -0.695 19613 3177 1 10 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.570 0.820 19613 3178 1 10 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.130 -0.630 19613 3179 1 10 . 1 1 25 25 ARG H H 25 7.100 7.100 7.685 -0.585 19613 3180 1 10 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.828 0.472 19613 3181 1 10 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.370 -1.040 19613 3182 1 10 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.102 0.588 19613 3183 1 10 . 1 1 27 27 TYR N N 27 118.560 118.560 122.815 -4.255 19613 3184 1 10 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.801 0.359 19613 3185 1 10 . 1 1 27 27 TYR C C 27 175.960 175.960 175.871 0.089 19613 3186 1 10 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.840 0.780 19613 3187 1 10 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.628 3.202 19613 3188 1 10 . 1 1 27 27 TYR H H 27 9.040 9.040 9.007 0.033 19613 3189 1 10 . 1 1 28 28 SER N N 28 117.540 117.540 118.834 -1.294 19613 3190 1 10 . 1 1 28 28 SER HA H 28 5.290 5.290 5.051 0.239 19613 3191 1 10 . 1 1 28 28 SER C C 28 175.120 175.120 176.124 -1.004 19613 3192 1 10 . 1 1 28 28 SER CA C 28 56.790 56.790 57.609 -0.819 19613 3193 1 10 . 1 1 28 28 SER CB C 28 65.290 65.290 65.118 0.173 19613 3194 1 10 . 1 1 28 28 SER H H 28 9.590 9.590 9.271 0.319 19613 3195 1 10 . 1 1 29 29 ALA N N 29 122.480 122.480 123.490 -1.010 19613 3196 1 10 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.074 -0.184 19613 3197 1 10 . 1 1 29 29 ALA C C 29 179.570 179.570 179.996 -0.426 19613 3198 1 10 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.720 -0.030 19613 3199 1 10 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.671 0.269 19613 3200 1 10 . 1 1 29 29 ALA H H 29 9.830 9.830 8.916 0.914 19613 3201 1 10 . 1 1 30 30 GLN N N 30 116.680 116.680 117.564 -0.884 19613 3202 1 10 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.170 -0.170 19613 3203 1 10 . 1 1 30 30 GLN C C 30 178.110 178.110 178.494 -0.384 19613 3204 1 10 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.876 0.145 19613 3205 1 10 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.638 -0.728 19613 3206 1 10 . 1 1 30 30 GLN H H 30 8.580 8.580 8.432 0.148 19613 3207 1 10 . 1 1 31 31 ASP N N 31 120.540 120.540 121.706 -1.166 19613 3208 1 10 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.497 0.073 19613 3209 1 10 . 1 1 31 31 ASP C C 31 178.000 178.000 178.938 -0.938 19613 3210 1 10 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.542 -0.472 19613 3211 1 10 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.749 0.261 19613 3212 1 10 . 1 1 31 31 ASP H H 31 7.950 7.950 8.239 -0.289 19613 3213 1 10 . 1 1 32 32 VAL N N 32 120.050 120.050 119.651 0.399 19613 3214 1 10 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.425 -0.315 19613 3215 1 10 . 1 1 32 32 VAL C C 32 176.700 176.700 177.652 -0.952 19613 3216 1 10 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.156 1.524 19613 3217 1 10 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.863 -0.853 19613 3218 1 10 . 1 1 32 32 VAL H H 32 8.220 8.220 8.332 -0.112 19613 3219 1 10 . 1 1 33 33 PHE N N 33 116.980 116.980 121.109 -4.129 19613 3220 1 10 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.112 0.018 19613 3221 1 10 . 1 1 33 33 PHE C C 33 177.340 177.340 177.199 0.141 19613 3222 1 10 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.102 -0.922 19613 3223 1 10 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.679 -0.259 19613 3224 1 10 . 1 1 33 33 PHE H H 33 8.290 8.290 7.825 0.465 19613 3225 1 10 . 1 1 34 34 GLY N N 34 105.970 105.970 106.028 -0.058 19613 3226 1 10 . 1 1 34 34 GLY C C 34 176.440 176.440 176.108 0.332 19613 3227 1 10 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.197 -0.437 19613 3228 1 10 . 1 1 34 34 GLY H H 34 8.560 8.560 8.477 0.083 19613 3229 1 10 . 1 1 35 35 ASN N N 35 119.330 119.330 120.097 -0.767 19613 3230 1 10 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.530 -0.030 19613 3231 1 10 . 1 1 35 35 ASN C C 35 177.080 177.080 177.538 -0.458 19613 3232 1 10 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.254 -0.674 19613 3233 1 10 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.323 -0.613 19613 3234 1 10 . 1 1 35 35 ASN H H 35 8.270 8.270 7.656 0.614 19613 3235 1 10 . 1 1 36 36 LEU N N 36 117.960 117.960 119.793 -1.833 19613 3236 1 10 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.338 0.142 19613 3237 1 10 . 1 1 36 36 LEU C C 36 177.990 177.990 178.524 -0.534 19613 3238 1 10 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.828 -0.738 19613 3239 1 10 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.092 1.178 19613 3240 1 10 . 1 1 36 36 LEU H H 36 7.450 7.450 7.927 -0.477 19613 3241 1 10 . 1 1 37 37 GLN N N 37 121.190 121.190 120.448 0.742 19613 3242 1 10 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.043 -0.193 19613 3243 1 10 . 1 1 37 37 GLN C C 37 178.240 178.240 177.658 0.582 19613 3244 1 10 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.108 1.173 19613 3245 1 10 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.233 -0.253 19613 3246 1 10 . 1 1 37 37 GLN H H 37 7.310 7.310 8.226 -0.916 19613 3247 1 10 . 1 1 38 38 LYS N N 38 119.590 119.590 118.172 1.418 19613 3248 1 10 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.184 -0.324 19613 3249 1 10 . 1 1 38 38 LYS C C 38 178.090 178.090 178.458 -0.368 19613 3250 1 10 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.127 1.273 19613 3251 1 10 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.755 -1.055 19613 3252 1 10 . 1 1 38 38 LYS H H 38 8.500 8.500 7.450 1.050 19613 3253 1 10 . 1 1 39 39 GLU N N 39 116.720 116.720 117.887 -1.167 19613 3254 1 10 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.040 -0.120 19613 3255 1 10 . 1 1 39 39 GLU C C 39 176.580 176.580 177.687 -1.107 19613 3256 1 10 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.574 -0.324 19613 3257 1 10 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.065 0.415 19613 3258 1 10 . 1 1 39 39 GLU H H 39 8.290 8.290 7.897 0.393 19613 3259 1 10 . 1 1 40 40 HIS N N 40 112.640 112.640 114.373 -1.733 19613 3260 1 10 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.728 -0.018 19613 3261 1 10 . 1 1 40 40 HIS C C 40 176.970 176.970 175.624 1.346 19613 3262 1 10 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.234 0.396 19613 3263 1 10 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.962 1.008 19613 3264 1 10 . 1 1 40 40 HIS H H 40 7.640 7.640 7.520 0.120 19613 3265 1 10 . 1 1 41 41 GLY N N 41 108.210 108.210 108.195 0.015 19613 3266 1 10 . 1 1 41 41 GLY C C 41 174.560 174.560 174.151 0.409 19613 3267 1 10 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.145 2.035 19613 3268 1 10 . 1 1 41 41 GLY H H 41 8.100 8.100 8.058 0.042 19613 3269 1 10 . 1 1 42 42 LEU N N 42 117.300 117.300 121.509 -4.209 19613 3270 1 10 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.432 -0.122 19613 3271 1 10 . 1 1 42 42 LEU C C 42 177.790 177.790 177.430 0.360 19613 3272 1 10 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.970 -0.560 19613 3273 1 10 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.462 0.358 19613 3274 1 10 . 1 1 42 42 LEU H H 42 6.850 6.850 7.755 -0.905 19613 3275 1 10 . 1 1 43 43 GLY N N 43 109.450 109.450 109.558 -0.108 19613 3276 1 10 . 1 1 43 43 GLY C C 43 173.630 173.630 175.075 -1.445 19613 3277 1 10 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.402 -0.062 19613 3278 1 10 . 1 1 43 43 GLY H H 43 8.690 8.690 8.351 0.339 19613 3279 1 10 . 1 1 44 44 LYS N N 44 123.130 123.130 120.514 2.616 19613 3280 1 10 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.401 -0.221 19613 3281 1 10 . 1 1 44 44 LYS C C 44 177.960 177.960 179.013 -1.053 19613 3282 1 10 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.702 0.748 19613 3283 1 10 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.066 -1.116 19613 3284 1 10 . 1 1 44 44 LYS H H 44 8.320 8.320 8.650 -0.330 19613 3285 1 10 . 1 1 45 45 ALA N N 45 119.150 119.150 122.065 -2.915 19613 3286 1 10 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.118 -0.148 19613 3287 1 10 . 1 1 45 45 ALA C C 45 180.320 180.320 179.605 0.715 19613 3288 1 10 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.748 0.232 19613 3289 1 10 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.917 -0.537 19613 3290 1 10 . 1 1 45 45 ALA H H 45 8.360 8.360 8.257 0.103 19613 3291 1 10 . 1 1 46 46 ALA N N 46 120.560 120.560 121.927 -1.367 19613 3292 1 10 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.095 -0.065 19613 3293 1 10 . 1 1 46 46 ALA C C 46 180.760 180.760 180.174 0.586 19613 3294 1 10 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.773 -0.243 19613 3295 1 10 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.201 -0.131 19613 3296 1 10 . 1 1 46 46 ALA H H 46 7.530 7.530 8.290 -0.760 19613 3297 1 10 . 1 1 47 47 VAL N N 47 120.280 120.280 118.792 1.488 19613 3298 1 10 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.539 -0.159 19613 3299 1 10 . 1 1 47 47 VAL C C 47 176.860 176.860 177.946 -1.086 19613 3300 1 10 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.595 0.125 19613 3301 1 10 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.942 -0.521 19613 3302 1 10 . 1 1 47 47 VAL H H 47 7.910 7.910 7.902 0.008 19613 3303 1 10 . 1 1 48 48 VAL N N 48 119.370 119.370 119.688 -0.318 19613 3304 1 10 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.459 -0.109 19613 3305 1 10 . 1 1 48 48 VAL C C 48 178.200 178.200 177.758 0.442 19613 3306 1 10 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.046 -0.186 19613 3307 1 10 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.356 0.624 19613 3308 1 10 . 1 1 48 48 VAL H H 48 8.240 8.240 7.871 0.369 19613 3309 1 10 . 1 1 49 49 LYS N N 49 117.640 117.640 118.989 -1.349 19613 3310 1 10 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.004 0.076 19613 3311 1 10 . 1 1 49 49 LYS C C 49 178.920 178.920 178.895 0.025 19613 3312 1 10 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.562 -0.572 19613 3313 1 10 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.166 0.354 19613 3314 1 10 . 1 1 49 49 LYS H H 49 7.830 7.830 8.227 -0.397 19613 3315 1 10 . 1 1 50 50 ALA N N 50 120.810 120.810 122.935 -2.125 19613 3316 1 10 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.119 -0.059 19613 3317 1 10 . 1 1 50 50 ALA C C 50 179.390 179.390 179.617 -0.227 19613 3318 1 10 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.867 -0.067 19613 3319 1 10 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.058 0.942 19613 3320 1 10 . 1 1 50 50 ALA H H 50 7.920 7.920 7.732 0.188 19613 3321 1 10 . 1 1 51 51 LEU N N 51 118.510 118.510 119.392 -0.882 19613 3322 1 10 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.631 -0.071 19613 3323 1 10 . 1 1 51 51 LEU C C 51 177.800 177.800 178.776 -0.976 19613 3324 1 10 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.110 0.100 19613 3325 1 10 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.107 -0.817 19613 3326 1 10 . 1 1 51 51 LEU H H 51 8.210 8.210 8.247 -0.037 19613 3327 1 10 . 1 1 52 52 ASP N N 52 116.940 116.940 118.331 -1.391 19613 3328 1 10 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.522 -0.002 19613 3329 1 10 . 1 1 52 52 ASP C C 52 178.800 178.800 178.966 -0.166 19613 3330 1 10 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.987 0.413 19613 3331 1 10 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.217 0.693 19613 3332 1 10 . 1 1 52 52 ASP H H 52 7.710 7.710 7.791 -0.081 19613 3333 1 10 . 1 1 53 53 GLN N N 53 120.360 120.360 120.988 -0.628 19613 3334 1 10 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.080 -0.100 19613 3335 1 10 . 1 1 53 53 GLN C C 53 178.310 178.310 178.370 -0.060 19613 3336 1 10 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.458 0.912 19613 3337 1 10 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.313 0.027 19613 3338 1 10 . 1 1 53 53 GLN H H 53 8.200 8.200 8.006 0.194 19613 3339 1 10 . 1 1 54 54 LEU N N 54 118.990 118.990 119.249 -0.259 19613 3340 1 10 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.099 -0.119 19613 3341 1 10 . 1 1 54 54 LEU C C 54 179.660 179.660 178.997 0.663 19613 3342 1 10 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.610 0.140 19613 3343 1 10 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.688 1.752 19613 3344 1 10 . 1 1 54 54 LEU H H 54 8.500 8.500 8.408 0.092 19613 3345 1 10 . 1 1 55 55 ALA N N 55 122.270 122.270 121.522 0.748 19613 3346 1 10 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.388 -0.018 19613 3347 1 10 . 1 1 55 55 ALA C C 55 181.940 181.940 179.995 1.945 19613 3348 1 10 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.507 0.203 19613 3349 1 10 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.669 -1.079 19613 3350 1 10 . 1 1 55 55 ALA H H 55 8.350 8.350 7.763 0.587 19613 3351 1 10 . 1 1 56 56 GLN N N 56 122.320 122.320 117.298 5.022 19613 3352 1 10 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.065 0.005 19613 3353 1 10 . 1 1 56 56 GLN C C 56 178.840 178.840 178.449 0.391 19613 3354 1 10 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.061 1.119 19613 3355 1 10 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.966 -0.916 19613 3356 1 10 . 1 1 56 56 GLN H H 56 8.610 8.610 8.104 0.506 19613 3357 1 10 . 1 1 57 57 GLU N N 57 115.890 115.890 117.409 -1.519 19613 3358 1 10 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.182 0.038 19613 3359 1 10 . 1 1 57 57 GLU C C 57 177.000 177.000 177.397 -0.397 19613 3360 1 10 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.962 -0.282 19613 3361 1 10 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.137 0.653 19613 3362 1 10 . 1 1 57 57 GLU H H 57 8.060 8.060 7.869 0.191 19613 3363 1 10 . 1 1 58 58 GLY N N 58 107.440 107.440 106.037 1.403 19613 3364 1 10 . 1 1 58 58 GLY C C 58 174.340 174.340 175.155 -0.815 19613 3365 1 10 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.335 0.245 19613 3366 1 10 . 1 1 58 58 GLY H H 58 7.920 7.920 7.989 -0.069 19613 3367 1 10 . 1 1 59 59 LYS N N 59 118.190 118.190 118.853 -0.663 19613 3368 1 10 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.398 -0.238 19613 3369 1 10 . 1 1 59 59 LYS C C 59 176.150 176.150 176.032 0.118 19613 3370 1 10 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.877 0.913 19613 3371 1 10 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.541 0.639 19613 3372 1 10 . 1 1 59 59 LYS H H 59 8.170 8.170 8.468 -0.298 19613 3373 1 10 . 1 1 60 60 ILE N N 60 107.860 107.860 113.146 -5.286 19613 3374 1 10 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.726 -0.156 19613 3375 1 10 . 1 1 60 60 ILE C C 60 172.900 172.900 174.211 -1.311 19613 3376 1 10 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.201 -0.661 19613 3377 1 10 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.872 -0.962 19613 3378 1 10 . 1 1 60 60 ILE H H 60 7.140 7.140 7.339 -0.199 19613 3379 1 10 . 1 1 61 61 LYS N N 61 119.750 119.750 121.650 -1.900 19613 3380 1 10 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.575 -0.165 19613 3381 1 10 . 1 1 61 61 LYS C C 61 173.930 173.930 174.577 -0.647 19613 3382 1 10 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.668 -0.408 19613 3383 1 10 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.313 -0.644 19613 3384 1 10 . 1 1 61 61 LYS H H 61 8.670 8.670 8.378 0.292 19613 3385 1 10 . 1 1 62 62 GLU N N 62 117.580 117.580 119.282 -1.702 19613 3386 1 10 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.052 0.088 19613 3387 1 10 . 1 1 62 62 GLU C C 62 175.630 175.630 175.061 0.569 19613 3388 1 10 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.221 -0.641 19613 3389 1 10 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.248 0.662 19613 3390 1 10 . 1 1 62 62 GLU H H 62 8.130 8.130 8.170 -0.040 19613 3391 1 10 . 1 1 63 63 LYS N N 63 122.890 122.890 122.366 0.524 19613 3392 1 10 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.470 0.080 19613 3393 1 10 . 1 1 63 63 LYS C C 63 174.510 174.510 174.434 0.076 19613 3394 1 10 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.324 -0.314 19613 3395 1 10 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.729 0.551 19613 3396 1 10 . 1 1 63 63 LYS H H 63 8.880 8.880 8.643 0.237 19613 3397 1 10 . 1 1 64 64 THR N N 64 117.560 117.560 122.557 -4.997 19613 3398 1 10 . 1 1 64 64 THR HA H 64 4.760 4.760 4.522 0.238 19613 3399 1 10 . 1 1 64 64 THR C C 64 173.870 173.870 173.768 0.102 19613 3400 1 10 . 1 1 64 64 THR CA C 64 62.120 62.120 62.964 -0.844 19613 3401 1 10 . 1 1 64 64 THR CB C 64 69.740 69.740 69.103 0.637 19613 3402 1 10 . 1 1 64 64 THR H H 64 8.410 8.410 8.217 0.193 19613 3403 1 10 . 1 1 65 65 TYR N N 65 127.630 127.630 128.297 -0.667 19613 3404 1 10 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.491 0.219 19613 3405 1 10 . 1 1 65 65 TYR C C 65 175.780 175.780 176.114 -0.334 19613 3406 1 10 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.168 -0.638 19613 3407 1 10 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.781 1.439 19613 3408 1 10 . 1 1 65 65 TYR H H 65 8.770 8.770 9.069 -0.299 19613 3409 1 10 . 1 1 67 67 LYS N N 67 120.220 120.220 124.065 -3.845 19613 3410 1 10 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.496 -0.296 19613 3411 1 10 . 1 1 67 67 LYS C C 67 175.890 175.890 175.962 -0.072 19613 3412 1 10 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.999 0.301 19613 3413 1 10 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.524 -1.344 19613 3414 1 10 . 1 1 67 67 LYS H H 67 8.110 8.110 8.568 -0.458 19613 3415 1 10 . 1 1 68 68 GLN N N 68 119.090 119.090 119.908 -0.818 19613 3416 1 10 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.625 0.055 19613 3417 1 10 . 1 1 68 68 GLN C C 68 174.080 174.080 174.536 -0.456 19613 3418 1 10 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.369 0.431 19613 3419 1 10 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.353 0.237 19613 3420 1 10 . 1 1 68 68 GLN H H 68 7.920 7.920 7.656 0.264 19613 3421 1 10 . 1 1 69 69 LYS N N 69 123.400 123.400 120.767 2.633 19613 3422 1 10 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.940 -0.200 19613 3423 1 10 . 1 1 69 69 LYS C C 69 175.820 175.820 175.543 0.277 19613 3424 1 10 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.553 0.537 19613 3425 1 10 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.128 -1.218 19613 3426 1 10 . 1 1 69 69 LYS H H 69 8.370 8.370 8.615 -0.245 19613 3427 1 10 . 1 1 70 70 ILE N N 70 120.640 120.640 121.314 -0.674 19613 3428 1 10 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.746 -0.186 19613 3429 1 10 . 1 1 70 70 ILE C C 70 173.330 173.330 174.404 -1.074 19613 3430 1 10 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.426 -1.376 19613 3431 1 10 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.112 -0.432 19613 3432 1 10 . 1 1 70 70 ILE H H 70 8.780 8.780 8.824 -0.044 19613 3433 1 10 . 1 1 71 71 TYR N N 71 120.200 120.200 124.689 -4.489 19613 3434 1 10 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.598 -0.008 19613 3435 1 10 . 1 1 71 71 TYR C C 71 175.840 175.840 175.177 0.663 19613 3436 1 10 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.993 0.817 19613 3437 1 10 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.937 0.583 19613 3438 1 10 . 1 1 71 71 TYR H H 71 8.810 8.810 9.314 -0.504 19613 3439 1 10 . 1 1 72 72 PHE N N 72 113.950 113.950 116.451 -2.501 19613 3440 1 10 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.195 -0.195 19613 3441 1 10 . 1 1 72 72 PHE C C 72 172.950 172.950 173.512 -0.562 19613 3442 1 10 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.938 -0.228 19613 3443 1 10 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.099 -2.049 19613 3444 1 10 . 1 1 72 72 PHE H H 72 8.470 8.470 8.724 -0.254 19613 3445 1 10 . 1 1 73 73 ALA N N 73 123.890 123.890 123.747 0.143 19613 3446 1 10 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.206 0.334 19613 3447 1 10 . 1 1 73 73 ALA C C 73 176.090 176.090 176.536 -0.446 19613 3448 1 10 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.198 -0.728 19613 3449 1 10 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.454 0.526 19613 3450 1 10 . 1 1 73 73 ALA H H 73 8.850 8.850 8.877 -0.027 19613 3451 1 11 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.162 -0.202 19613 3452 1 11 . 1 1 13 13 PRO C C 13 177.740 177.740 179.040 -1.300 19613 3453 1 11 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.134 0.846 19613 3454 1 11 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.972 -0.552 19613 3455 1 11 . 1 1 14 14 GLY N N 14 103.910 103.910 105.808 -1.898 19613 3456 1 11 . 1 1 14 14 GLY C C 14 176.450 176.450 176.527 -0.077 19613 3457 1 11 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.735 0.465 19613 3458 1 11 . 1 1 14 14 GLY H H 14 7.620 7.620 8.340 -0.720 19613 3459 1 11 . 1 1 15 15 ILE N N 15 122.900 122.900 123.373 -0.473 19613 3460 1 11 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.547 -0.077 19613 3461 1 11 . 1 1 15 15 ILE C C 15 178.810 178.810 177.933 0.877 19613 3462 1 11 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.328 -0.588 19613 3463 1 11 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.757 1.023 19613 3464 1 11 . 1 1 15 15 ILE H H 15 7.660 7.660 7.713 -0.053 19613 3465 1 11 . 1 1 16 16 ILE N N 16 120.300 120.300 119.910 0.390 19613 3466 1 11 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.653 -0.323 19613 3467 1 11 . 1 1 16 16 ILE C C 16 176.680 176.680 178.002 -1.322 19613 3468 1 11 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.489 -0.039 19613 3469 1 11 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.793 0.077 19613 3470 1 11 . 1 1 16 16 ILE H H 16 8.130 8.130 8.476 -0.346 19613 3471 1 11 . 1 1 17 17 LEU N N 17 120.680 120.680 120.991 -0.311 19613 3472 1 11 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.967 -0.107 19613 3473 1 11 . 1 1 17 17 LEU C C 17 177.830 177.830 178.337 -0.507 19613 3474 1 11 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.556 0.005 19613 3475 1 11 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.524 0.116 19613 3476 1 11 . 1 1 17 17 LEU H H 17 8.560 8.560 8.218 0.342 19613 3477 1 11 . 1 1 18 18 ARG N N 18 116.160 116.160 118.397 -2.237 19613 3478 1 11 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.925 0.155 19613 3479 1 11 . 1 1 18 18 ARG C C 18 178.250 178.250 178.476 -0.226 19613 3480 1 11 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.460 -0.140 19613 3481 1 11 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.941 -0.351 19613 3482 1 11 . 1 1 18 18 ARG H H 18 7.580 7.580 7.970 -0.390 19613 3483 1 11 . 1 1 19 19 TYR N N 19 119.280 119.280 120.974 -1.694 19613 3484 1 11 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.223 0.127 19613 3485 1 11 . 1 1 19 19 TYR C C 19 177.480 177.480 177.949 -0.469 19613 3486 1 11 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.405 0.155 19613 3487 1 11 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.292 0.108 19613 3488 1 11 . 1 1 19 19 TYR H H 19 7.820 7.820 8.136 -0.316 19613 3489 1 11 . 1 1 20 20 LEU N N 20 117.650 117.650 118.662 -1.012 19613 3490 1 11 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.870 0.050 19613 3491 1 11 . 1 1 20 20 LEU C C 20 181.270 181.270 179.604 1.666 19613 3492 1 11 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.652 0.698 19613 3493 1 11 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.694 -0.063 19613 3494 1 11 . 1 1 20 20 LEU H H 20 8.610 8.610 8.674 -0.064 19613 3495 1 11 . 1 1 21 21 GLN N N 21 119.530 119.530 118.650 0.880 19613 3496 1 11 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.095 -0.175 19613 3497 1 11 . 1 1 21 21 GLN C C 21 177.950 177.950 178.250 -0.300 19613 3498 1 11 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.631 0.209 19613 3499 1 11 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.893 -0.493 19613 3500 1 11 . 1 1 21 21 GLN H H 21 8.630 8.630 8.116 0.514 19613 3501 1 11 . 1 1 22 22 GLU N N 22 118.500 118.500 118.879 -0.379 19613 3502 1 11 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.096 -0.086 19613 3503 1 11 . 1 1 22 22 GLU C C 22 178.790 178.790 178.212 0.578 19613 3504 1 11 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.646 -0.016 19613 3505 1 11 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.878 -0.008 19613 3506 1 11 . 1 1 22 22 GLU H H 22 8.260 8.260 8.113 0.147 19613 3507 1 11 . 1 1 23 23 GLN N N 23 115.130 115.130 116.531 -1.401 19613 3508 1 11 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.246 -0.276 19613 3509 1 11 . 1 1 23 23 GLN C C 23 177.150 177.150 176.502 0.648 19613 3510 1 11 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.270 0.230 19613 3511 1 11 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.367 0.983 19613 3512 1 11 . 1 1 23 23 GLN H H 23 8.110 8.110 7.798 0.312 19613 3513 1 11 . 1 1 24 24 ASN N N 24 113.770 113.770 113.708 0.062 19613 3514 1 11 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.328 0.222 19613 3515 1 11 . 1 1 24 24 ASN C C 24 173.280 173.280 174.112 -0.832 19613 3516 1 11 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.431 -0.571 19613 3517 1 11 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.222 0.618 19613 3518 1 11 . 1 1 24 24 ASN H H 24 8.000 8.000 8.281 -0.281 19613 3519 1 11 . 1 1 25 25 ARG N N 25 113.220 113.220 117.829 -4.609 19613 3520 1 11 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.726 0.004 19613 3521 1 11 . 1 1 25 25 ARG C C 25 172.740 172.740 173.506 -0.766 19613 3522 1 11 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.551 0.839 19613 3523 1 11 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.893 -0.393 19613 3524 1 11 . 1 1 25 25 ARG H H 25 7.100 7.100 7.687 -0.587 19613 3525 1 11 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.715 0.585 19613 3526 1 11 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.389 -1.059 19613 3527 1 11 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.153 0.537 19613 3528 1 11 . 1 1 27 27 TYR N N 27 118.560 118.560 122.201 -3.641 19613 3529 1 11 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.777 0.383 19613 3530 1 11 . 1 1 27 27 TYR C C 27 175.960 175.960 175.822 0.138 19613 3531 1 11 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.852 0.768 19613 3532 1 11 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.587 3.243 19613 3533 1 11 . 1 1 27 27 TYR H H 27 9.040 9.040 8.915 0.125 19613 3534 1 11 . 1 1 28 28 SER N N 28 117.540 117.540 118.887 -1.347 19613 3535 1 11 . 1 1 28 28 SER HA H 28 5.290 5.290 4.949 0.341 19613 3536 1 11 . 1 1 28 28 SER C C 28 175.120 175.120 176.090 -0.970 19613 3537 1 11 . 1 1 28 28 SER CA C 28 56.790 56.790 57.657 -0.867 19613 3538 1 11 . 1 1 28 28 SER CB C 28 65.290 65.290 65.071 0.219 19613 3539 1 11 . 1 1 28 28 SER H H 28 9.590 9.590 9.254 0.336 19613 3540 1 11 . 1 1 29 29 ALA N N 29 122.480 122.480 123.225 -0.745 19613 3541 1 11 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.111 -0.221 19613 3542 1 11 . 1 1 29 29 ALA C C 29 179.570 179.570 180.025 -0.455 19613 3543 1 11 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.657 0.032 19613 3544 1 11 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.719 0.221 19613 3545 1 11 . 1 1 29 29 ALA H H 29 9.830 9.830 8.910 0.920 19613 3546 1 11 . 1 1 30 30 GLN N N 30 116.680 116.680 117.455 -0.775 19613 3547 1 11 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.211 -0.211 19613 3548 1 11 . 1 1 30 30 GLN C C 30 178.110 178.110 178.377 -0.267 19613 3549 1 11 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.805 0.215 19613 3550 1 11 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.706 -0.796 19613 3551 1 11 . 1 1 30 30 GLN H H 30 8.580 8.580 8.418 0.162 19613 3552 1 11 . 1 1 31 31 ASP N N 31 120.540 120.540 121.780 -1.240 19613 3553 1 11 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.493 0.077 19613 3554 1 11 . 1 1 31 31 ASP C C 31 178.000 178.000 178.935 -0.935 19613 3555 1 11 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.574 -0.504 19613 3556 1 11 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.742 0.268 19613 3557 1 11 . 1 1 31 31 ASP H H 31 7.950 7.950 8.248 -0.298 19613 3558 1 11 . 1 1 32 32 VAL N N 32 120.050 120.050 119.533 0.517 19613 3559 1 11 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.494 -0.384 19613 3560 1 11 . 1 1 32 32 VAL C C 32 176.700 176.700 177.714 -1.014 19613 3561 1 11 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.142 1.538 19613 3562 1 11 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.829 -0.819 19613 3563 1 11 . 1 1 32 32 VAL H H 32 8.220 8.220 8.263 -0.043 19613 3564 1 11 . 1 1 33 33 PHE N N 33 116.980 116.980 121.422 -4.442 19613 3565 1 11 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.146 -0.016 19613 3566 1 11 . 1 1 33 33 PHE C C 33 177.340 177.340 177.135 0.205 19613 3567 1 11 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.778 -0.598 19613 3568 1 11 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.565 -0.145 19613 3569 1 11 . 1 1 33 33 PHE H H 33 8.290 8.290 7.598 0.692 19613 3570 1 11 . 1 1 34 34 GLY N N 34 105.970 105.970 105.907 0.063 19613 3571 1 11 . 1 1 34 34 GLY C C 34 176.440 176.440 176.077 0.363 19613 3572 1 11 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.136 -0.376 19613 3573 1 11 . 1 1 34 34 GLY H H 34 8.560 8.560 8.580 -0.020 19613 3574 1 11 . 1 1 35 35 ASN N N 35 119.330 119.330 120.065 -0.735 19613 3575 1 11 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.483 0.017 19613 3576 1 11 . 1 1 35 35 ASN C C 35 177.080 177.080 177.202 -0.122 19613 3577 1 11 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.247 -0.667 19613 3578 1 11 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.412 -0.702 19613 3579 1 11 . 1 1 35 35 ASN H H 35 8.270 8.270 7.946 0.324 19613 3580 1 11 . 1 1 36 36 LEU N N 36 117.960 117.960 119.654 -1.694 19613 3581 1 11 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.282 0.198 19613 3582 1 11 . 1 1 36 36 LEU C C 36 177.990 177.990 178.352 -0.362 19613 3583 1 11 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.758 -0.668 19613 3584 1 11 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.159 1.111 19613 3585 1 11 . 1 1 36 36 LEU H H 36 7.450 7.450 7.947 -0.497 19613 3586 1 11 . 1 1 37 37 GLN N N 37 121.190 121.190 120.795 0.395 19613 3587 1 11 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.097 -0.247 19613 3588 1 11 . 1 1 37 37 GLN C C 37 178.240 178.240 177.703 0.537 19613 3589 1 11 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.436 0.844 19613 3590 1 11 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.355 -0.375 19613 3591 1 11 . 1 1 37 37 GLN H H 37 7.310 7.310 8.167 -0.857 19613 3592 1 11 . 1 1 38 38 LYS N N 38 119.590 119.590 117.294 2.296 19613 3593 1 11 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.141 -0.281 19613 3594 1 11 . 1 1 38 38 LYS C C 38 178.090 178.090 177.887 0.203 19613 3595 1 11 . 1 1 38 38 LYS CA C 38 59.400 59.400 57.871 1.529 19613 3596 1 11 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.352 -0.652 19613 3597 1 11 . 1 1 38 38 LYS H H 38 8.500 8.500 7.597 0.903 19613 3598 1 11 . 1 1 39 39 GLU N N 39 116.720 116.720 118.737 -2.017 19613 3599 1 11 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.115 -0.195 19613 3600 1 11 . 1 1 39 39 GLU C C 39 176.580 176.580 177.614 -1.034 19613 3601 1 11 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.434 -0.184 19613 3602 1 11 . 1 1 39 39 GLU CB C 39 30.480 30.480 29.891 0.589 19613 3603 1 11 . 1 1 39 39 GLU H H 39 8.290 8.290 7.873 0.417 19613 3604 1 11 . 1 1 40 40 HIS N N 40 112.640 112.640 114.224 -1.584 19613 3605 1 11 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.767 -0.057 19613 3606 1 11 . 1 1 40 40 HIS C C 40 176.970 176.970 175.490 1.480 19613 3607 1 11 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.403 0.227 19613 3608 1 11 . 1 1 40 40 HIS CB C 40 32.970 32.970 32.017 0.954 19613 3609 1 11 . 1 1 40 40 HIS H H 40 7.640 7.640 7.517 0.123 19613 3610 1 11 . 1 1 41 41 GLY N N 41 108.210 108.210 108.060 0.150 19613 3611 1 11 . 1 1 41 41 GLY C C 41 174.560 174.560 174.120 0.440 19613 3612 1 11 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.104 2.076 19613 3613 1 11 . 1 1 41 41 GLY H H 41 8.100 8.100 8.079 0.021 19613 3614 1 11 . 1 1 42 42 LEU N N 42 117.300 117.300 121.610 -4.310 19613 3615 1 11 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.433 -0.123 19613 3616 1 11 . 1 1 42 42 LEU C C 42 177.790 177.790 177.503 0.287 19613 3617 1 11 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.932 -0.522 19613 3618 1 11 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.495 0.325 19613 3619 1 11 . 1 1 42 42 LEU H H 42 6.850 6.850 7.767 -0.917 19613 3620 1 11 . 1 1 43 43 GLY N N 43 109.450 109.450 109.305 0.145 19613 3621 1 11 . 1 1 43 43 GLY C C 43 173.630 173.630 174.598 -0.968 19613 3622 1 11 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.531 -0.190 19613 3623 1 11 . 1 1 43 43 GLY H H 43 8.690 8.690 8.334 0.356 19613 3624 1 11 . 1 1 44 44 LYS N N 44 123.130 123.130 121.206 1.924 19613 3625 1 11 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.125 0.055 19613 3626 1 11 . 1 1 44 44 LYS C C 44 177.960 177.960 178.503 -0.543 19613 3627 1 11 . 1 1 44 44 LYS CA C 44 60.450 60.450 58.988 1.462 19613 3628 1 11 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.812 -0.862 19613 3629 1 11 . 1 1 44 44 LYS H H 44 8.320 8.320 8.617 -0.297 19613 3630 1 11 . 1 1 45 45 ALA N N 45 119.150 119.150 121.442 -2.292 19613 3631 1 11 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.079 -0.109 19613 3632 1 11 . 1 1 45 45 ALA C C 45 180.320 180.320 179.437 0.883 19613 3633 1 11 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.678 0.302 19613 3634 1 11 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.836 -0.456 19613 3635 1 11 . 1 1 45 45 ALA H H 45 8.360 8.360 8.321 0.039 19613 3636 1 11 . 1 1 46 46 ALA N N 46 120.560 120.560 121.913 -1.353 19613 3637 1 11 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.097 -0.067 19613 3638 1 11 . 1 1 46 46 ALA C C 46 180.760 180.760 180.118 0.642 19613 3639 1 11 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.706 -0.176 19613 3640 1 11 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.200 -0.130 19613 3641 1 11 . 1 1 46 46 ALA H H 46 7.530 7.530 8.157 -0.627 19613 3642 1 11 . 1 1 47 47 VAL N N 47 120.280 120.280 119.032 1.248 19613 3643 1 11 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.514 -0.134 19613 3644 1 11 . 1 1 47 47 VAL C C 47 176.860 176.860 177.941 -1.081 19613 3645 1 11 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.627 0.093 19613 3646 1 11 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.898 -0.478 19613 3647 1 11 . 1 1 47 47 VAL H H 47 7.910 7.910 8.020 -0.110 19613 3648 1 11 . 1 1 48 48 VAL N N 48 119.370 119.370 119.694 -0.324 19613 3649 1 11 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.443 -0.093 19613 3650 1 11 . 1 1 48 48 VAL C C 48 178.200 178.200 177.726 0.474 19613 3651 1 11 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.071 -0.211 19613 3652 1 11 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.336 0.644 19613 3653 1 11 . 1 1 48 48 VAL H H 48 8.240 8.240 8.146 0.094 19613 3654 1 11 . 1 1 49 49 LYS N N 49 117.640 117.640 119.020 -1.380 19613 3655 1 11 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.988 0.092 19613 3656 1 11 . 1 1 49 49 LYS C C 49 178.920 178.920 178.918 0.002 19613 3657 1 11 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.544 -0.554 19613 3658 1 11 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.161 0.359 19613 3659 1 11 . 1 1 49 49 LYS H H 49 7.830 7.830 8.082 -0.252 19613 3660 1 11 . 1 1 50 50 ALA N N 50 120.810 120.810 122.888 -2.078 19613 3661 1 11 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.104 -0.044 19613 3662 1 11 . 1 1 50 50 ALA C C 50 179.390 179.390 179.638 -0.248 19613 3663 1 11 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.877 -0.077 19613 3664 1 11 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.059 0.941 19613 3665 1 11 . 1 1 50 50 ALA H H 50 7.920 7.920 7.797 0.123 19613 3666 1 11 . 1 1 51 51 LEU N N 51 118.510 118.510 119.355 -0.845 19613 3667 1 11 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.630 -0.070 19613 3668 1 11 . 1 1 51 51 LEU C C 51 177.800 177.800 178.715 -0.915 19613 3669 1 11 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.098 0.112 19613 3670 1 11 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.088 -0.798 19613 3671 1 11 . 1 1 51 51 LEU H H 51 8.210 8.210 8.220 -0.010 19613 3672 1 11 . 1 1 52 52 ASP N N 52 116.940 116.940 118.204 -1.264 19613 3673 1 11 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.514 0.006 19613 3674 1 11 . 1 1 52 52 ASP C C 52 178.800 178.800 178.977 -0.177 19613 3675 1 11 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.133 0.268 19613 3676 1 11 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.153 0.757 19613 3677 1 11 . 1 1 52 52 ASP H H 52 7.710 7.710 7.841 -0.131 19613 3678 1 11 . 1 1 53 53 GLN N N 53 120.360 120.360 120.629 -0.269 19613 3679 1 11 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.123 -0.143 19613 3680 1 11 . 1 1 53 53 GLN C C 53 178.310 178.310 178.393 -0.083 19613 3681 1 11 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.462 0.909 19613 3682 1 11 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.330 0.010 19613 3683 1 11 . 1 1 53 53 GLN H H 53 8.200 8.200 7.940 0.260 19613 3684 1 11 . 1 1 54 54 LEU N N 54 118.990 118.990 119.585 -0.595 19613 3685 1 11 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.003 -0.023 19613 3686 1 11 . 1 1 54 54 LEU C C 54 179.660 179.660 178.930 0.730 19613 3687 1 11 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.783 -0.034 19613 3688 1 11 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.637 1.803 19613 3689 1 11 . 1 1 54 54 LEU H H 54 8.500 8.500 8.374 0.126 19613 3690 1 11 . 1 1 55 55 ALA N N 55 122.270 122.270 120.910 1.360 19613 3691 1 11 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.338 0.032 19613 3692 1 11 . 1 1 55 55 ALA C C 55 181.940 181.940 179.777 2.163 19613 3693 1 11 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.494 0.216 19613 3694 1 11 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.540 -0.950 19613 3695 1 11 . 1 1 55 55 ALA H H 55 8.350 8.350 8.041 0.309 19613 3696 1 11 . 1 1 56 56 GLN N N 56 122.320 122.320 118.423 3.897 19613 3697 1 11 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.122 -0.052 19613 3698 1 11 . 1 1 56 56 GLN C C 56 178.840 178.840 178.172 0.668 19613 3699 1 11 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.063 1.117 19613 3700 1 11 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.705 -0.655 19613 3701 1 11 . 1 1 56 56 GLN H H 56 8.610 8.610 8.004 0.606 19613 3702 1 11 . 1 1 57 57 GLU N N 57 115.890 115.890 116.165 -0.275 19613 3703 1 11 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.258 -0.038 19613 3704 1 11 . 1 1 57 57 GLU C C 57 177.000 177.000 177.045 -0.045 19613 3705 1 11 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.528 0.152 19613 3706 1 11 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.277 0.513 19613 3707 1 11 . 1 1 57 57 GLU H H 57 8.060 8.060 7.840 0.220 19613 3708 1 11 . 1 1 58 58 GLY N N 58 107.440 107.440 106.515 0.925 19613 3709 1 11 . 1 1 58 58 GLY C C 58 174.340 174.340 175.291 -0.951 19613 3710 1 11 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.514 0.066 19613 3711 1 11 . 1 1 58 58 GLY H H 58 7.920 7.920 7.896 0.024 19613 3712 1 11 . 1 1 59 59 LYS N N 59 118.190 118.190 118.968 -0.778 19613 3713 1 11 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.387 -0.227 19613 3714 1 11 . 1 1 59 59 LYS C C 59 176.150 176.150 176.322 -0.172 19613 3715 1 11 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.033 0.757 19613 3716 1 11 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.343 0.837 19613 3717 1 11 . 1 1 59 59 LYS H H 59 8.170 8.170 8.587 -0.417 19613 3718 1 11 . 1 1 60 60 ILE N N 60 107.860 107.860 112.964 -5.104 19613 3719 1 11 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.481 0.089 19613 3720 1 11 . 1 1 60 60 ILE C C 60 172.900 172.900 174.100 -1.200 19613 3721 1 11 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.283 -0.743 19613 3722 1 11 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.668 -0.758 19613 3723 1 11 . 1 1 60 60 ILE H H 60 7.140 7.140 7.263 -0.123 19613 3724 1 11 . 1 1 61 61 LYS N N 61 119.750 119.750 120.606 -0.856 19613 3725 1 11 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.530 -0.120 19613 3726 1 11 . 1 1 61 61 LYS C C 61 173.930 173.930 174.569 -0.639 19613 3727 1 11 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.762 -0.502 19613 3728 1 11 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.067 -0.397 19613 3729 1 11 . 1 1 61 61 LYS H H 61 8.670 8.670 8.396 0.274 19613 3730 1 11 . 1 1 62 62 GLU N N 62 117.580 117.580 122.882 -5.302 19613 3731 1 11 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.003 0.137 19613 3732 1 11 . 1 1 62 62 GLU C C 62 175.630 175.630 175.666 -0.036 19613 3733 1 11 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.547 -0.967 19613 3734 1 11 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.102 1.808 19613 3735 1 11 . 1 1 62 62 GLU H H 62 8.130 8.130 8.474 -0.344 19613 3736 1 11 . 1 1 63 63 LYS N N 63 122.890 122.890 125.650 -2.760 19613 3737 1 11 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.757 -0.207 19613 3738 1 11 . 1 1 63 63 LYS C C 63 174.510 174.510 175.112 -0.602 19613 3739 1 11 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.609 0.401 19613 3740 1 11 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.529 -0.249 19613 3741 1 11 . 1 1 63 63 LYS H H 63 8.880 8.880 8.982 -0.102 19613 3742 1 11 . 1 1 64 64 THR N N 64 117.560 117.560 117.726 -0.166 19613 3743 1 11 . 1 1 64 64 THR HA H 64 4.760 4.760 4.834 -0.074 19613 3744 1 11 . 1 1 64 64 THR C C 64 173.870 173.870 173.782 0.088 19613 3745 1 11 . 1 1 64 64 THR CA C 64 62.120 62.120 62.095 0.025 19613 3746 1 11 . 1 1 64 64 THR CB C 64 69.740 69.740 69.603 0.137 19613 3747 1 11 . 1 1 64 64 THR H H 64 8.410 8.410 8.479 -0.069 19613 3748 1 11 . 1 1 65 65 TYR N N 65 127.630 127.630 129.895 -2.265 19613 3749 1 11 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.494 0.216 19613 3750 1 11 . 1 1 65 65 TYR C C 65 175.780 175.780 175.738 0.042 19613 3751 1 11 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.454 0.076 19613 3752 1 11 . 1 1 65 65 TYR CB C 65 39.220 39.220 38.378 0.842 19613 3753 1 11 . 1 1 65 65 TYR H H 65 8.770 8.770 8.781 -0.011 19613 3754 1 11 . 1 1 67 67 LYS N N 67 120.220 120.220 124.014 -3.794 19613 3755 1 11 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.424 -0.224 19613 3756 1 11 . 1 1 67 67 LYS C C 67 175.890 175.890 176.064 -0.174 19613 3757 1 11 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.977 0.323 19613 3758 1 11 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.111 -0.931 19613 3759 1 11 . 1 1 67 67 LYS H H 67 8.110 8.110 8.390 -0.280 19613 3760 1 11 . 1 1 68 68 GLN N N 68 119.090 119.090 119.356 -0.266 19613 3761 1 11 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.728 -0.048 19613 3762 1 11 . 1 1 68 68 GLN C C 68 174.080 174.080 174.620 -0.540 19613 3763 1 11 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.370 0.430 19613 3764 1 11 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.407 0.183 19613 3765 1 11 . 1 1 68 68 GLN H H 68 7.920 7.920 7.764 0.156 19613 3766 1 11 . 1 1 69 69 LYS N N 69 123.400 123.400 120.777 2.623 19613 3767 1 11 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.032 -0.292 19613 3768 1 11 . 1 1 69 69 LYS C C 69 175.820 175.820 175.573 0.247 19613 3769 1 11 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.534 0.556 19613 3770 1 11 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.207 -1.297 19613 3771 1 11 . 1 1 69 69 LYS H H 69 8.370 8.370 8.546 -0.176 19613 3772 1 11 . 1 1 70 70 ILE N N 70 120.640 120.640 121.887 -1.247 19613 3773 1 11 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.654 -0.094 19613 3774 1 11 . 1 1 70 70 ILE C C 70 173.330 173.330 174.158 -0.828 19613 3775 1 11 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.443 -1.393 19613 3776 1 11 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.145 -0.465 19613 3777 1 11 . 1 1 70 70 ILE H H 70 8.780 8.780 8.835 -0.055 19613 3778 1 11 . 1 1 71 71 TYR N N 71 120.200 120.200 125.075 -4.875 19613 3779 1 11 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.689 -0.099 19613 3780 1 11 . 1 1 71 71 TYR C C 71 175.840 175.840 175.219 0.621 19613 3781 1 11 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.883 0.927 19613 3782 1 11 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.718 0.802 19613 3783 1 11 . 1 1 71 71 TYR H H 71 8.810 8.810 9.291 -0.481 19613 3784 1 11 . 1 1 72 72 PHE N N 72 113.950 113.950 117.120 -3.170 19613 3785 1 11 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.188 -0.188 19613 3786 1 11 . 1 1 72 72 PHE C C 72 172.950 172.950 173.352 -0.402 19613 3787 1 11 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.025 -0.315 19613 3788 1 11 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.110 -2.060 19613 3789 1 11 . 1 1 72 72 PHE H H 72 8.470 8.470 8.726 -0.256 19613 3790 1 11 . 1 1 73 73 ALA N N 73 123.890 123.890 123.410 0.480 19613 3791 1 11 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.285 0.255 19613 3792 1 11 . 1 1 73 73 ALA C C 73 176.090 176.090 176.241 -0.151 19613 3793 1 11 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.822 -0.352 19613 3794 1 11 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.963 0.017 19613 3795 1 11 . 1 1 73 73 ALA H H 73 8.850 8.850 8.877 -0.027 19613 3796 1 12 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.168 -0.208 19613 3797 1 12 . 1 1 13 13 PRO C C 13 177.740 177.740 179.067 -1.327 19613 3798 1 12 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.117 0.863 19613 3799 1 12 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.979 -0.559 19613 3800 1 12 . 1 1 14 14 GLY N N 14 103.910 103.910 105.821 -1.911 19613 3801 1 12 . 1 1 14 14 GLY C C 14 176.450 176.450 176.546 -0.096 19613 3802 1 12 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.760 0.441 19613 3803 1 12 . 1 1 14 14 GLY H H 14 7.620 7.620 8.435 -0.815 19613 3804 1 12 . 1 1 15 15 ILE N N 15 122.900 122.900 123.370 -0.470 19613 3805 1 12 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.573 -0.103 19613 3806 1 12 . 1 1 15 15 ILE C C 15 178.810 178.810 178.014 0.796 19613 3807 1 12 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.346 -0.606 19613 3808 1 12 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.892 0.888 19613 3809 1 12 . 1 1 15 15 ILE H H 15 7.660 7.660 7.708 -0.049 19613 3810 1 12 . 1 1 16 16 ILE N N 16 120.300 120.300 119.843 0.457 19613 3811 1 12 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.699 -0.369 19613 3812 1 12 . 1 1 16 16 ILE C C 16 176.680 176.680 177.971 -1.291 19613 3813 1 12 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.327 0.123 19613 3814 1 12 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.864 0.006 19613 3815 1 12 . 1 1 16 16 ILE H H 16 8.130 8.130 8.383 -0.253 19613 3816 1 12 . 1 1 17 17 LEU N N 17 120.680 120.680 121.275 -0.595 19613 3817 1 12 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.991 -0.131 19613 3818 1 12 . 1 1 17 17 LEU C C 17 177.830 177.830 178.429 -0.599 19613 3819 1 12 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.470 0.090 19613 3820 1 12 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.586 0.054 19613 3821 1 12 . 1 1 17 17 LEU H H 17 8.560 8.560 8.305 0.255 19613 3822 1 12 . 1 1 18 18 ARG N N 18 116.160 116.160 118.815 -2.655 19613 3823 1 12 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.944 0.136 19613 3824 1 12 . 1 1 18 18 ARG C C 18 178.250 178.250 178.229 0.021 19613 3825 1 12 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.575 -0.255 19613 3826 1 12 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.103 -0.513 19613 3827 1 12 . 1 1 18 18 ARG H H 18 7.580 7.580 7.916 -0.336 19613 3828 1 12 . 1 1 19 19 TYR N N 19 119.280 119.280 121.304 -2.024 19613 3829 1 12 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.174 0.176 19613 3830 1 12 . 1 1 19 19 TYR C C 19 177.480 177.480 177.799 -0.319 19613 3831 1 12 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.643 -0.083 19613 3832 1 12 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.302 0.098 19613 3833 1 12 . 1 1 19 19 TYR H H 19 7.820 7.820 8.152 -0.332 19613 3834 1 12 . 1 1 20 20 LEU N N 20 117.650 117.650 118.120 -0.470 19613 3835 1 12 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.924 -0.004 19613 3836 1 12 . 1 1 20 20 LEU C C 20 181.270 181.270 179.454 1.816 19613 3837 1 12 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.130 1.220 19613 3838 1 12 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.659 -0.029 19613 3839 1 12 . 1 1 20 20 LEU H H 20 8.610 8.610 8.782 -0.172 19613 3840 1 12 . 1 1 21 21 GLN N N 21 119.530 119.530 119.663 -0.133 19613 3841 1 12 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.095 -0.175 19613 3842 1 12 . 1 1 21 21 GLN C C 21 177.950 177.950 177.982 -0.032 19613 3843 1 12 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.400 0.440 19613 3844 1 12 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.477 -0.077 19613 3845 1 12 . 1 1 21 21 GLN H H 21 8.630 8.630 8.154 0.476 19613 3846 1 12 . 1 1 22 22 GLU N N 22 118.500 118.500 118.717 -0.217 19613 3847 1 12 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.126 -0.116 19613 3848 1 12 . 1 1 22 22 GLU C C 22 178.790 178.790 178.499 0.291 19613 3849 1 12 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.106 0.524 19613 3850 1 12 . 1 1 22 22 GLU CB C 22 29.870 29.870 30.025 -0.155 19613 3851 1 12 . 1 1 22 22 GLU H H 22 8.260 8.260 8.114 0.146 19613 3852 1 12 . 1 1 23 23 GLN N N 23 115.130 115.130 117.461 -2.331 19613 3853 1 12 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.200 -0.230 19613 3854 1 12 . 1 1 23 23 GLN C C 23 177.150 177.150 176.737 0.413 19613 3855 1 12 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.632 -0.132 19613 3856 1 12 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.032 1.318 19613 3857 1 12 . 1 1 23 23 GLN H H 23 8.110 8.110 7.808 0.302 19613 3858 1 12 . 1 1 24 24 ASN N N 24 113.770 113.770 116.777 -3.007 19613 3859 1 12 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.361 0.189 19613 3860 1 12 . 1 1 24 24 ASN C C 24 173.280 173.280 173.923 -0.643 19613 3861 1 12 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.055 -0.195 19613 3862 1 12 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.514 0.326 19613 3863 1 12 . 1 1 24 24 ASN H H 24 8.000 8.000 8.128 -0.128 19613 3864 1 12 . 1 1 25 25 ARG N N 25 113.220 113.220 118.614 -5.394 19613 3865 1 12 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.537 0.193 19613 3866 1 12 . 1 1 25 25 ARG C C 25 172.740 172.740 173.296 -0.556 19613 3867 1 12 . 1 1 25 25 ARG CA C 25 53.390 53.390 53.224 0.166 19613 3868 1 12 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.616 -1.116 19613 3869 1 12 . 1 1 25 25 ARG H H 25 7.100 7.100 7.686 -0.586 19613 3870 1 12 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.694 0.606 19613 3871 1 12 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.914 -1.584 19613 3872 1 12 . 1 1 26 26 PRO CB C 26 32.690 32.690 31.750 0.940 19613 3873 1 12 . 1 1 27 27 TYR N N 27 118.560 118.560 123.428 -4.868 19613 3874 1 12 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.775 0.385 19613 3875 1 12 . 1 1 27 27 TYR C C 27 175.960 175.960 175.864 0.096 19613 3876 1 12 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.934 0.685 19613 3877 1 12 . 1 1 27 27 TYR CB C 27 45.830 45.830 43.095 2.735 19613 3878 1 12 . 1 1 27 27 TYR H H 27 9.040 9.040 9.050 -0.010 19613 3879 1 12 . 1 1 28 28 SER N N 28 117.540 117.540 118.096 -0.556 19613 3880 1 12 . 1 1 28 28 SER HA H 28 5.290 5.290 5.134 0.156 19613 3881 1 12 . 1 1 28 28 SER C C 28 175.120 175.120 176.199 -1.079 19613 3882 1 12 . 1 1 28 28 SER CA C 28 56.790 56.790 57.504 -0.714 19613 3883 1 12 . 1 1 28 28 SER CB C 28 65.290 65.290 65.155 0.135 19613 3884 1 12 . 1 1 28 28 SER H H 28 9.590 9.590 8.676 0.914 19613 3885 1 12 . 1 1 29 29 ALA N N 29 122.480 122.480 123.703 -1.223 19613 3886 1 12 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.050 -0.160 19613 3887 1 12 . 1 1 29 29 ALA C C 29 179.570 179.570 179.966 -0.396 19613 3888 1 12 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.768 -0.078 19613 3889 1 12 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.651 0.289 19613 3890 1 12 . 1 1 29 29 ALA H H 29 9.830 9.830 8.751 1.079 19613 3891 1 12 . 1 1 30 30 GLN N N 30 116.680 116.680 117.638 -0.958 19613 3892 1 12 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.168 -0.168 19613 3893 1 12 . 1 1 30 30 GLN C C 30 178.110 178.110 178.459 -0.349 19613 3894 1 12 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.998 0.022 19613 3895 1 12 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.655 -0.745 19613 3896 1 12 . 1 1 30 30 GLN H H 30 8.580 8.580 8.388 0.192 19613 3897 1 12 . 1 1 31 31 ASP N N 31 120.540 120.540 121.404 -0.864 19613 3898 1 12 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.516 0.054 19613 3899 1 12 . 1 1 31 31 ASP C C 31 178.000 178.000 179.003 -1.003 19613 3900 1 12 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.386 -0.316 19613 3901 1 12 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.758 0.252 19613 3902 1 12 . 1 1 31 31 ASP H H 31 7.950 7.950 8.228 -0.278 19613 3903 1 12 . 1 1 32 32 VAL N N 32 120.050 120.050 119.827 0.223 19613 3904 1 12 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.376 -0.266 19613 3905 1 12 . 1 1 32 32 VAL C C 32 176.700 176.700 177.530 -0.830 19613 3906 1 12 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.160 1.520 19613 3907 1 12 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.826 -0.816 19613 3908 1 12 . 1 1 32 32 VAL H H 32 8.220 8.220 8.360 -0.140 19613 3909 1 12 . 1 1 33 33 PHE N N 33 116.980 116.980 121.235 -4.255 19613 3910 1 12 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.103 0.027 19613 3911 1 12 . 1 1 33 33 PHE C C 33 177.340 177.340 177.177 0.163 19613 3912 1 12 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.027 -0.847 19613 3913 1 12 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.665 -0.245 19613 3914 1 12 . 1 1 33 33 PHE H H 33 8.290 8.290 7.877 0.413 19613 3915 1 12 . 1 1 34 34 GLY N N 34 105.970 105.970 105.881 0.089 19613 3916 1 12 . 1 1 34 34 GLY C C 34 176.440 176.440 176.061 0.379 19613 3917 1 12 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.195 -0.435 19613 3918 1 12 . 1 1 34 34 GLY H H 34 8.560 8.560 8.565 -0.005 19613 3919 1 12 . 1 1 35 35 ASN N N 35 119.330 119.330 120.097 -0.767 19613 3920 1 12 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.492 0.008 19613 3921 1 12 . 1 1 35 35 ASN C C 35 177.080 177.080 177.346 -0.266 19613 3922 1 12 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.143 -0.563 19613 3923 1 12 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.474 -0.764 19613 3924 1 12 . 1 1 35 35 ASN H H 35 8.270 8.270 7.598 0.672 19613 3925 1 12 . 1 1 36 36 LEU N N 36 117.960 117.960 119.906 -1.946 19613 3926 1 12 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.344 0.136 19613 3927 1 12 . 1 1 36 36 LEU C C 36 177.990 177.990 178.779 -0.789 19613 3928 1 12 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.874 -0.784 19613 3929 1 12 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.218 1.052 19613 3930 1 12 . 1 1 36 36 LEU H H 36 7.450 7.450 7.766 -0.316 19613 3931 1 12 . 1 1 37 37 GLN N N 37 121.190 121.190 120.488 0.702 19613 3932 1 12 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.048 -0.198 19613 3933 1 12 . 1 1 37 37 GLN C C 37 178.240 178.240 177.578 0.662 19613 3934 1 12 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.111 1.169 19613 3935 1 12 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.196 -0.216 19613 3936 1 12 . 1 1 37 37 GLN H H 37 7.310 7.310 8.254 -0.944 19613 3937 1 12 . 1 1 38 38 LYS N N 38 119.590 119.590 117.561 2.029 19613 3938 1 12 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.227 -0.367 19613 3939 1 12 . 1 1 38 38 LYS C C 38 178.090 178.090 178.458 -0.368 19613 3940 1 12 . 1 1 38 38 LYS CA C 38 59.400 59.400 57.875 1.525 19613 3941 1 12 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.846 -1.146 19613 3942 1 12 . 1 1 38 38 LYS H H 38 8.500 8.500 7.478 1.022 19613 3943 1 12 . 1 1 39 39 GLU N N 39 116.720 116.720 118.319 -1.599 19613 3944 1 12 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.071 -0.151 19613 3945 1 12 . 1 1 39 39 GLU C C 39 176.580 176.580 177.786 -1.206 19613 3946 1 12 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.640 -0.390 19613 3947 1 12 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.176 0.304 19613 3948 1 12 . 1 1 39 39 GLU H H 39 8.290 8.290 7.896 0.394 19613 3949 1 12 . 1 1 40 40 HIS N N 40 112.640 112.640 114.119 -1.479 19613 3950 1 12 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.737 -0.027 19613 3951 1 12 . 1 1 40 40 HIS C C 40 176.970 176.970 175.447 1.523 19613 3952 1 12 . 1 1 40 40 HIS CA C 40 56.630 56.630 55.970 0.660 19613 3953 1 12 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.411 1.559 19613 3954 1 12 . 1 1 40 40 HIS H H 40 7.640 7.640 7.501 0.139 19613 3955 1 12 . 1 1 41 41 GLY N N 41 108.210 108.210 108.460 -0.250 19613 3956 1 12 . 1 1 41 41 GLY C C 41 174.560 174.560 174.165 0.395 19613 3957 1 12 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.503 1.677 19613 3958 1 12 . 1 1 41 41 GLY H H 41 8.100 8.100 8.109 -0.009 19613 3959 1 12 . 1 1 42 42 LEU N N 42 117.300 117.300 121.272 -3.972 19613 3960 1 12 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.471 -0.161 19613 3961 1 12 . 1 1 42 42 LEU C C 42 177.790 177.790 177.330 0.460 19613 3962 1 12 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.728 -0.318 19613 3963 1 12 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.545 0.275 19613 3964 1 12 . 1 1 42 42 LEU H H 42 6.850 6.850 7.739 -0.889 19613 3965 1 12 . 1 1 43 43 GLY N N 43 109.450 109.450 109.463 -0.013 19613 3966 1 12 . 1 1 43 43 GLY C C 43 173.630 173.630 175.075 -1.445 19613 3967 1 12 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.387 -0.047 19613 3968 1 12 . 1 1 43 43 GLY H H 43 8.690 8.690 8.396 0.293 19613 3969 1 12 . 1 1 44 44 LYS N N 44 123.130 123.130 120.283 2.847 19613 3970 1 12 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.404 -0.224 19613 3971 1 12 . 1 1 44 44 LYS C C 44 177.960 177.960 179.010 -1.050 19613 3972 1 12 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.681 0.769 19613 3973 1 12 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.058 -1.108 19613 3974 1 12 . 1 1 44 44 LYS H H 44 8.320 8.320 8.644 -0.324 19613 3975 1 12 . 1 1 45 45 ALA N N 45 119.150 119.150 122.082 -2.932 19613 3976 1 12 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.114 -0.144 19613 3977 1 12 . 1 1 45 45 ALA C C 45 180.320 180.320 179.616 0.704 19613 3978 1 12 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.761 0.219 19613 3979 1 12 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.913 -0.533 19613 3980 1 12 . 1 1 45 45 ALA H H 45 8.360 8.360 8.253 0.107 19613 3981 1 12 . 1 1 46 46 ALA N N 46 120.560 120.560 121.902 -1.342 19613 3982 1 12 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.094 -0.064 19613 3983 1 12 . 1 1 46 46 ALA C C 46 180.760 180.760 180.168 0.592 19613 3984 1 12 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.766 -0.236 19613 3985 1 12 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.206 -0.136 19613 3986 1 12 . 1 1 46 46 ALA H H 46 7.530 7.530 8.271 -0.741 19613 3987 1 12 . 1 1 47 47 VAL N N 47 120.280 120.280 118.771 1.509 19613 3988 1 12 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.531 -0.151 19613 3989 1 12 . 1 1 47 47 VAL C C 47 176.860 176.860 177.934 -1.074 19613 3990 1 12 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.585 0.135 19613 3991 1 12 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.949 -0.529 19613 3992 1 12 . 1 1 47 47 VAL H H 47 7.910 7.910 7.875 0.034 19613 3993 1 12 . 1 1 48 48 VAL N N 48 119.370 119.370 119.568 -0.198 19613 3994 1 12 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.448 -0.098 19613 3995 1 12 . 1 1 48 48 VAL C C 48 178.200 178.200 177.711 0.489 19613 3996 1 12 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.010 -0.150 19613 3997 1 12 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.348 0.632 19613 3998 1 12 . 1 1 48 48 VAL H H 48 8.240 8.240 7.924 0.316 19613 3999 1 12 . 1 1 49 49 LYS N N 49 117.640 117.640 118.941 -1.301 19613 4000 1 12 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.995 0.085 19613 4001 1 12 . 1 1 49 49 LYS C C 49 178.920 178.920 178.873 0.047 19613 4002 1 12 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.564 -0.574 19613 4003 1 12 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.154 0.366 19613 4004 1 12 . 1 1 49 49 LYS H H 49 7.830 7.830 8.137 -0.307 19613 4005 1 12 . 1 1 50 50 ALA N N 50 120.810 120.810 122.920 -2.110 19613 4006 1 12 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.120 -0.060 19613 4007 1 12 . 1 1 50 50 ALA C C 50 179.390 179.390 179.596 -0.206 19613 4008 1 12 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.846 -0.046 19613 4009 1 12 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.047 0.953 19613 4010 1 12 . 1 1 50 50 ALA H H 50 7.920 7.920 7.664 0.256 19613 4011 1 12 . 1 1 51 51 LEU N N 51 118.510 118.510 119.351 -0.841 19613 4012 1 12 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.619 -0.059 19613 4013 1 12 . 1 1 51 51 LEU C C 51 177.800 177.800 178.803 -1.003 19613 4014 1 12 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.108 0.102 19613 4015 1 12 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.078 -0.788 19613 4016 1 12 . 1 1 51 51 LEU H H 51 8.210 8.210 8.230 -0.020 19613 4017 1 12 . 1 1 52 52 ASP N N 52 116.940 116.940 118.276 -1.336 19613 4018 1 12 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.542 -0.022 19613 4019 1 12 . 1 1 52 52 ASP C C 52 178.800 178.800 178.919 -0.119 19613 4020 1 12 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.936 0.464 19613 4021 1 12 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.272 0.638 19613 4022 1 12 . 1 1 52 52 ASP H H 52 7.710 7.710 7.715 -0.005 19613 4023 1 12 . 1 1 53 53 GLN N N 53 120.360 120.360 121.011 -0.651 19613 4024 1 12 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.072 -0.092 19613 4025 1 12 . 1 1 53 53 GLN C C 53 178.310 178.310 178.397 -0.087 19613 4026 1 12 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.489 0.881 19613 4027 1 12 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.307 0.033 19613 4028 1 12 . 1 1 53 53 GLN H H 53 8.200 8.200 7.999 0.201 19613 4029 1 12 . 1 1 54 54 LEU N N 54 118.990 118.990 119.107 -0.117 19613 4030 1 12 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.100 -0.120 19613 4031 1 12 . 1 1 54 54 LEU C C 54 179.660 179.660 178.982 0.678 19613 4032 1 12 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.623 0.127 19613 4033 1 12 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.674 1.766 19613 4034 1 12 . 1 1 54 54 LEU H H 54 8.500 8.500 8.413 0.087 19613 4035 1 12 . 1 1 55 55 ALA N N 55 122.270 122.270 121.543 0.727 19613 4036 1 12 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.365 0.005 19613 4037 1 12 . 1 1 55 55 ALA C C 55 181.940 181.940 179.994 1.946 19613 4038 1 12 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.498 0.212 19613 4039 1 12 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.654 -1.064 19613 4040 1 12 . 1 1 55 55 ALA H H 55 8.350 8.350 7.663 0.687 19613 4041 1 12 . 1 1 56 56 GLN N N 56 122.320 122.320 117.256 5.064 19613 4042 1 12 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.080 -0.010 19613 4043 1 12 . 1 1 56 56 GLN C C 56 178.840 178.840 178.422 0.418 19613 4044 1 12 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.032 1.147 19613 4045 1 12 . 1 1 56 56 GLN CB C 56 28.050 28.050 29.003 -0.953 19613 4046 1 12 . 1 1 56 56 GLN H H 56 8.610 8.610 8.185 0.425 19613 4047 1 12 . 1 1 57 57 GLU N N 57 115.890 115.890 117.523 -1.633 19613 4048 1 12 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.188 0.032 19613 4049 1 12 . 1 1 57 57 GLU C C 57 177.000 177.000 177.297 -0.297 19613 4050 1 12 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.979 -0.299 19613 4051 1 12 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.183 0.607 19613 4052 1 12 . 1 1 57 57 GLU H H 57 8.060 8.060 7.860 0.200 19613 4053 1 12 . 1 1 58 58 GLY N N 58 107.440 107.440 106.036 1.404 19613 4054 1 12 . 1 1 58 58 GLY C C 58 174.340 174.340 175.156 -0.816 19613 4055 1 12 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.447 0.133 19613 4056 1 12 . 1 1 58 58 GLY H H 58 7.920 7.920 7.878 0.042 19613 4057 1 12 . 1 1 59 59 LYS N N 59 118.190 118.190 118.942 -0.752 19613 4058 1 12 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.472 -0.312 19613 4059 1 12 . 1 1 59 59 LYS C C 59 176.150 176.150 176.437 -0.287 19613 4060 1 12 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.887 0.903 19613 4061 1 12 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.546 0.634 19613 4062 1 12 . 1 1 59 59 LYS H H 59 8.170 8.170 8.589 -0.419 19613 4063 1 12 . 1 1 60 60 ILE N N 60 107.860 107.860 113.653 -5.793 19613 4064 1 12 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.435 0.135 19613 4065 1 12 . 1 1 60 60 ILE C C 60 172.900 172.900 174.096 -1.196 19613 4066 1 12 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.352 -0.812 19613 4067 1 12 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.340 -0.430 19613 4068 1 12 . 1 1 60 60 ILE H H 60 7.140 7.140 7.282 -0.142 19613 4069 1 12 . 1 1 61 61 LYS N N 61 119.750 119.750 121.202 -1.452 19613 4070 1 12 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.558 -0.148 19613 4071 1 12 . 1 1 61 61 LYS C C 61 173.930 173.930 174.479 -0.549 19613 4072 1 12 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.724 -0.464 19613 4073 1 12 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.193 -0.523 19613 4074 1 12 . 1 1 61 61 LYS H H 61 8.670 8.670 8.352 0.318 19613 4075 1 12 . 1 1 62 62 GLU N N 62 117.580 117.580 119.265 -1.685 19613 4076 1 12 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.259 -0.119 19613 4077 1 12 . 1 1 62 62 GLU C C 62 175.630 175.630 174.980 0.650 19613 4078 1 12 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.133 -0.553 19613 4079 1 12 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.270 0.640 19613 4080 1 12 . 1 1 62 62 GLU H H 62 8.130 8.130 8.120 0.010 19613 4081 1 12 . 1 1 63 63 LYS N N 63 122.890 122.890 120.192 2.698 19613 4082 1 12 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.691 -0.141 19613 4083 1 12 . 1 1 63 63 LYS C C 63 174.510 174.510 174.746 -0.236 19613 4084 1 12 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.868 0.142 19613 4085 1 12 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.809 0.471 19613 4086 1 12 . 1 1 63 63 LYS H H 63 8.880 8.880 8.946 -0.066 19613 4087 1 12 . 1 1 64 64 THR N N 64 117.560 117.560 117.013 0.547 19613 4088 1 12 . 1 1 64 64 THR HA H 64 4.760 4.760 4.649 0.111 19613 4089 1 12 . 1 1 64 64 THR C C 64 173.870 173.870 173.434 0.436 19613 4090 1 12 . 1 1 64 64 THR CA C 64 62.120 62.120 62.437 -0.317 19613 4091 1 12 . 1 1 64 64 THR CB C 64 69.740 69.740 69.528 0.212 19613 4092 1 12 . 1 1 64 64 THR H H 64 8.410 8.410 8.411 -0.001 19613 4093 1 12 . 1 1 65 65 TYR N N 65 127.630 127.630 129.294 -1.664 19613 4094 1 12 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.528 0.182 19613 4095 1 12 . 1 1 65 65 TYR C C 65 175.780 175.780 175.353 0.427 19613 4096 1 12 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.900 -0.370 19613 4097 1 12 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.428 -0.208 19613 4098 1 12 . 1 1 65 65 TYR H H 65 8.770 8.770 8.849 -0.079 19613 4099 1 12 . 1 1 67 67 LYS N N 67 120.220 120.220 123.916 -3.696 19613 4100 1 12 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.414 -0.214 19613 4101 1 12 . 1 1 67 67 LYS C C 67 175.890 175.890 176.274 -0.384 19613 4102 1 12 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.205 0.095 19613 4103 1 12 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.025 -0.845 19613 4104 1 12 . 1 1 67 67 LYS H H 67 8.110 8.110 8.435 -0.325 19613 4105 1 12 . 1 1 68 68 GLN N N 68 119.090 119.090 119.372 -0.282 19613 4106 1 12 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.736 -0.056 19613 4107 1 12 . 1 1 68 68 GLN C C 68 174.080 174.080 174.561 -0.481 19613 4108 1 12 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.273 0.527 19613 4109 1 12 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.364 0.226 19613 4110 1 12 . 1 1 68 68 GLN H H 68 7.920 7.920 7.676 0.244 19613 4111 1 12 . 1 1 69 69 LYS N N 69 123.400 123.400 121.269 2.131 19613 4112 1 12 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.839 -0.099 19613 4113 1 12 . 1 1 69 69 LYS C C 69 175.820 175.820 175.487 0.333 19613 4114 1 12 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.596 0.494 19613 4115 1 12 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.411 -0.501 19613 4116 1 12 . 1 1 69 69 LYS H H 69 8.370 8.370 8.547 -0.177 19613 4117 1 12 . 1 1 70 70 ILE N N 70 120.640 120.640 122.232 -1.592 19613 4118 1 12 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.632 -0.072 19613 4119 1 12 . 1 1 70 70 ILE C C 70 173.330 173.330 174.800 -1.470 19613 4120 1 12 . 1 1 70 70 ILE CA C 70 59.050 59.050 58.603 0.447 19613 4121 1 12 . 1 1 70 70 ILE CB C 70 40.680 40.680 38.550 2.130 19613 4122 1 12 . 1 1 70 70 ILE H H 70 8.780 8.780 8.890 -0.110 19613 4123 1 12 . 1 1 71 71 TYR N N 71 120.200 120.200 125.858 -5.658 19613 4124 1 12 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.357 0.233 19613 4125 1 12 . 1 1 71 71 TYR C C 71 175.840 175.840 175.105 0.735 19613 4126 1 12 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.073 0.737 19613 4127 1 12 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.736 0.784 19613 4128 1 12 . 1 1 71 71 TYR H H 71 8.810 8.810 9.255 -0.445 19613 4129 1 12 . 1 1 72 72 PHE N N 72 113.950 113.950 117.134 -3.184 19613 4130 1 12 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.149 -0.149 19613 4131 1 12 . 1 1 72 72 PHE C C 72 172.950 172.950 173.329 -0.379 19613 4132 1 12 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.941 -0.231 19613 4133 1 12 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.053 -2.003 19613 4134 1 12 . 1 1 72 72 PHE H H 72 8.470 8.470 8.741 -0.271 19613 4135 1 12 . 1 1 73 73 ALA N N 73 123.890 123.890 123.326 0.564 19613 4136 1 12 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.271 0.269 19613 4137 1 12 . 1 1 73 73 ALA C C 73 176.090 176.090 176.452 -0.362 19613 4138 1 12 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.846 -0.376 19613 4139 1 12 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.872 0.108 19613 4140 1 12 . 1 1 73 73 ALA H H 73 8.850 8.850 8.770 0.080 19613 4141 1 13 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.164 -0.204 19613 4142 1 13 . 1 1 13 13 PRO C C 13 177.740 177.740 179.061 -1.321 19613 4143 1 13 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.113 0.867 19613 4144 1 13 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.980 -0.560 19613 4145 1 13 . 1 1 14 14 GLY N N 14 103.910 103.910 105.696 -1.786 19613 4146 1 13 . 1 1 14 14 GLY C C 14 176.450 176.450 176.501 -0.051 19613 4147 1 13 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.695 0.505 19613 4148 1 13 . 1 1 14 14 GLY H H 14 7.620 7.620 8.337 -0.717 19613 4149 1 13 . 1 1 15 15 ILE N N 15 122.900 122.900 123.363 -0.463 19613 4150 1 13 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.543 -0.073 19613 4151 1 13 . 1 1 15 15 ILE C C 15 178.810 178.810 177.933 0.877 19613 4152 1 13 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.313 -0.573 19613 4153 1 13 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.803 0.977 19613 4154 1 13 . 1 1 15 15 ILE H H 15 7.660 7.660 7.625 0.035 19613 4155 1 13 . 1 1 16 16 ILE N N 16 120.300 120.300 119.767 0.533 19613 4156 1 13 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.688 -0.358 19613 4157 1 13 . 1 1 16 16 ILE C C 16 176.680 176.680 178.013 -1.333 19613 4158 1 13 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.392 0.057 19613 4159 1 13 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.849 0.021 19613 4160 1 13 . 1 1 16 16 ILE H H 16 8.130 8.130 8.362 -0.232 19613 4161 1 13 . 1 1 17 17 LEU N N 17 120.680 120.680 121.264 -0.584 19613 4162 1 13 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.960 -0.100 19613 4163 1 13 . 1 1 17 17 LEU C C 17 177.830 177.830 178.544 -0.714 19613 4164 1 13 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.682 -0.122 19613 4165 1 13 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.648 -0.008 19613 4166 1 13 . 1 1 17 17 LEU H H 17 8.560 8.560 8.172 0.388 19613 4167 1 13 . 1 1 18 18 ARG N N 18 116.160 116.160 117.377 -1.217 19613 4168 1 13 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.020 0.060 19613 4169 1 13 . 1 1 18 18 ARG C C 18 178.250 178.250 179.005 -0.755 19613 4170 1 13 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.382 -0.062 19613 4171 1 13 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.012 -0.423 19613 4172 1 13 . 1 1 18 18 ARG H H 18 7.580 7.580 7.940 -0.360 19613 4173 1 13 . 1 1 19 19 TYR N N 19 119.280 119.280 122.662 -3.382 19613 4174 1 13 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.277 0.073 19613 4175 1 13 . 1 1 19 19 TYR C C 19 177.480 177.480 177.729 -0.249 19613 4176 1 13 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.300 0.260 19613 4177 1 13 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.350 0.050 19613 4178 1 13 . 1 1 19 19 TYR H H 19 7.820 7.820 8.218 -0.398 19613 4179 1 13 . 1 1 20 20 LEU N N 20 117.650 117.650 119.116 -1.466 19613 4180 1 13 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.894 0.026 19613 4181 1 13 . 1 1 20 20 LEU C C 20 181.270 181.270 179.645 1.625 19613 4182 1 13 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.604 0.746 19613 4183 1 13 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.755 -0.125 19613 4184 1 13 . 1 1 20 20 LEU H H 20 8.610 8.610 8.710 -0.100 19613 4185 1 13 . 1 1 21 21 GLN N N 21 119.530 119.530 118.073 1.457 19613 4186 1 13 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.095 -0.175 19613 4187 1 13 . 1 1 21 21 GLN C C 21 177.950 177.950 177.850 0.100 19613 4188 1 13 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.538 0.302 19613 4189 1 13 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.739 -0.339 19613 4190 1 13 . 1 1 21 21 GLN H H 21 8.630 8.630 8.076 0.554 19613 4191 1 13 . 1 1 22 22 GLU N N 22 118.500 118.500 119.741 -1.241 19613 4192 1 13 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.076 -0.066 19613 4193 1 13 . 1 1 22 22 GLU C C 22 178.790 178.790 178.343 0.447 19613 4194 1 13 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.834 -0.204 19613 4195 1 13 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.914 -0.044 19613 4196 1 13 . 1 1 22 22 GLU H H 22 8.260 8.260 7.917 0.343 19613 4197 1 13 . 1 1 23 23 GLN N N 23 115.130 115.130 116.397 -1.267 19613 4198 1 13 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.282 -0.312 19613 4199 1 13 . 1 1 23 23 GLN C C 23 177.150 177.150 176.629 0.521 19613 4200 1 13 . 1 1 23 23 GLN CA C 23 56.500 56.500 55.925 0.575 19613 4201 1 13 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.397 0.953 19613 4202 1 13 . 1 1 23 23 GLN H H 23 8.110 8.110 7.943 0.167 19613 4203 1 13 . 1 1 24 24 ASN N N 24 113.770 113.770 115.874 -2.104 19613 4204 1 13 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.390 0.160 19613 4205 1 13 . 1 1 24 24 ASN C C 24 173.280 173.280 173.893 -0.613 19613 4206 1 13 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.107 -0.247 19613 4207 1 13 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.602 0.238 19613 4208 1 13 . 1 1 24 24 ASN H H 24 8.000 8.000 8.155 -0.155 19613 4209 1 13 . 1 1 25 25 ARG N N 25 113.220 113.220 117.021 -3.801 19613 4210 1 13 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.706 0.024 19613 4211 1 13 . 1 1 25 25 ARG C C 25 172.740 172.740 173.547 -0.807 19613 4212 1 13 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.548 0.842 19613 4213 1 13 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.093 -0.593 19613 4214 1 13 . 1 1 25 25 ARG H H 25 7.100 7.100 7.675 -0.575 19613 4215 1 13 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.862 0.438 19613 4216 1 13 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.366 -1.036 19613 4217 1 13 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.225 0.465 19613 4218 1 13 . 1 1 27 27 TYR N N 27 118.560 118.560 121.992 -3.432 19613 4219 1 13 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.797 0.363 19613 4220 1 13 . 1 1 27 27 TYR C C 27 175.960 175.960 175.836 0.124 19613 4221 1 13 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.901 0.719 19613 4222 1 13 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.674 3.156 19613 4223 1 13 . 1 1 27 27 TYR H H 27 9.040 9.040 9.033 0.007 19613 4224 1 13 . 1 1 28 28 SER N N 28 117.540 117.540 118.975 -1.435 19613 4225 1 13 . 1 1 28 28 SER HA H 28 5.290 5.290 4.947 0.343 19613 4226 1 13 . 1 1 28 28 SER C C 28 175.120 175.120 176.111 -0.991 19613 4227 1 13 . 1 1 28 28 SER CA C 28 56.790 56.790 57.776 -0.986 19613 4228 1 13 . 1 1 28 28 SER CB C 28 65.290 65.290 65.026 0.264 19613 4229 1 13 . 1 1 28 28 SER H H 28 9.590 9.590 8.728 0.862 19613 4230 1 13 . 1 1 29 29 ALA N N 29 122.480 122.480 123.432 -0.952 19613 4231 1 13 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.091 -0.201 19613 4232 1 13 . 1 1 29 29 ALA C C 29 179.570 179.570 180.005 -0.435 19613 4233 1 13 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.659 0.031 19613 4234 1 13 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.706 0.234 19613 4235 1 13 . 1 1 29 29 ALA H H 29 9.830 9.830 8.912 0.918 19613 4236 1 13 . 1 1 30 30 GLN N N 30 116.680 116.680 117.395 -0.715 19613 4237 1 13 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.190 -0.190 19613 4238 1 13 . 1 1 30 30 GLN C C 30 178.110 178.110 178.382 -0.272 19613 4239 1 13 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.836 0.184 19613 4240 1 13 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.749 -0.839 19613 4241 1 13 . 1 1 30 30 GLN H H 30 8.580 8.580 8.406 0.174 19613 4242 1 13 . 1 1 31 31 ASP N N 31 120.540 120.540 121.606 -1.066 19613 4243 1 13 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.542 0.028 19613 4244 1 13 . 1 1 31 31 ASP C C 31 178.000 178.000 179.000 -1.000 19613 4245 1 13 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.472 -0.402 19613 4246 1 13 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.786 0.224 19613 4247 1 13 . 1 1 31 31 ASP H H 31 7.950 7.950 8.246 -0.296 19613 4248 1 13 . 1 1 32 32 VAL N N 32 120.050 120.050 119.698 0.352 19613 4249 1 13 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.501 -0.391 19613 4250 1 13 . 1 1 32 32 VAL C C 32 176.700 176.700 177.566 -0.866 19613 4251 1 13 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.277 1.403 19613 4252 1 13 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.835 -0.825 19613 4253 1 13 . 1 1 32 32 VAL H H 32 8.220 8.220 8.390 -0.170 19613 4254 1 13 . 1 1 33 33 PHE N N 33 116.980 116.980 121.221 -4.241 19613 4255 1 13 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.124 0.006 19613 4256 1 13 . 1 1 33 33 PHE C C 33 177.340 177.340 177.163 0.177 19613 4257 1 13 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.093 -0.913 19613 4258 1 13 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.697 -0.277 19613 4259 1 13 . 1 1 33 33 PHE H H 33 8.290 8.290 7.556 0.734 19613 4260 1 13 . 1 1 34 34 GLY N N 34 105.970 105.970 105.917 0.053 19613 4261 1 13 . 1 1 34 34 GLY C C 34 176.440 176.440 176.138 0.302 19613 4262 1 13 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.217 -0.457 19613 4263 1 13 . 1 1 34 34 GLY H H 34 8.560 8.560 8.655 -0.095 19613 4264 1 13 . 1 1 35 35 ASN N N 35 119.330 119.330 120.202 -0.872 19613 4265 1 13 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.507 -0.007 19613 4266 1 13 . 1 1 35 35 ASN C C 35 177.080 177.080 177.235 -0.155 19613 4267 1 13 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.142 -0.562 19613 4268 1 13 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.522 -0.812 19613 4269 1 13 . 1 1 35 35 ASN H H 35 8.270 8.270 7.864 0.406 19613 4270 1 13 . 1 1 36 36 LEU N N 36 117.960 117.960 119.676 -1.716 19613 4271 1 13 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.278 0.202 19613 4272 1 13 . 1 1 36 36 LEU C C 36 177.990 177.990 178.404 -0.414 19613 4273 1 13 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.699 -0.609 19613 4274 1 13 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.040 1.230 19613 4275 1 13 . 1 1 36 36 LEU H H 36 7.450 7.450 7.909 -0.459 19613 4276 1 13 . 1 1 37 37 GLN N N 37 121.190 121.190 120.578 0.612 19613 4277 1 13 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.901 -0.051 19613 4278 1 13 . 1 1 37 37 GLN C C 37 178.240 178.240 177.639 0.601 19613 4279 1 13 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.123 1.157 19613 4280 1 13 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.247 -0.267 19613 4281 1 13 . 1 1 37 37 GLN H H 37 7.310 7.310 8.271 -0.961 19613 4282 1 13 . 1 1 38 38 LYS N N 38 119.590 119.590 118.112 1.478 19613 4283 1 13 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.164 -0.304 19613 4284 1 13 . 1 1 38 38 LYS C C 38 178.090 178.090 178.362 -0.272 19613 4285 1 13 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.197 1.203 19613 4286 1 13 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.689 -0.989 19613 4287 1 13 . 1 1 38 38 LYS H H 38 8.500 8.500 7.466 1.034 19613 4288 1 13 . 1 1 39 39 GLU N N 39 116.720 116.720 117.661 -0.941 19613 4289 1 13 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.061 -0.141 19613 4290 1 13 . 1 1 39 39 GLU C C 39 176.580 176.580 177.593 -1.013 19613 4291 1 13 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.398 -0.148 19613 4292 1 13 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.145 0.335 19613 4293 1 13 . 1 1 39 39 GLU H H 39 8.290 8.290 7.907 0.383 19613 4294 1 13 . 1 1 40 40 HIS N N 40 112.640 112.640 114.463 -1.823 19613 4295 1 13 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.726 -0.016 19613 4296 1 13 . 1 1 40 40 HIS C C 40 176.970 176.970 175.605 1.365 19613 4297 1 13 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.220 0.410 19613 4298 1 13 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.997 0.973 19613 4299 1 13 . 1 1 40 40 HIS H H 40 7.640 7.640 7.526 0.114 19613 4300 1 13 . 1 1 41 41 GLY N N 41 108.210 108.210 108.230 -0.020 19613 4301 1 13 . 1 1 41 41 GLY C C 41 174.560 174.560 174.169 0.391 19613 4302 1 13 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.168 2.012 19613 4303 1 13 . 1 1 41 41 GLY H H 41 8.100 8.100 8.042 0.058 19613 4304 1 13 . 1 1 42 42 LEU N N 42 117.300 117.300 121.518 -4.218 19613 4305 1 13 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.419 -0.109 19613 4306 1 13 . 1 1 42 42 LEU C C 42 177.790 177.790 177.438 0.352 19613 4307 1 13 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.993 -0.583 19613 4308 1 13 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.459 0.361 19613 4309 1 13 . 1 1 42 42 LEU H H 42 6.850 6.850 7.701 -0.851 19613 4310 1 13 . 1 1 43 43 GLY N N 43 109.450 109.450 109.538 -0.088 19613 4311 1 13 . 1 1 43 43 GLY C C 43 173.630 173.630 175.042 -1.412 19613 4312 1 13 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.395 -0.055 19613 4313 1 13 . 1 1 43 43 GLY H H 43 8.690 8.690 8.323 0.367 19613 4314 1 13 . 1 1 44 44 LYS N N 44 123.130 123.130 120.587 2.543 19613 4315 1 13 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.468 -0.288 19613 4316 1 13 . 1 1 44 44 LYS C C 44 177.960 177.960 179.001 -1.041 19613 4317 1 13 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.686 0.764 19613 4318 1 13 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.051 -1.101 19613 4319 1 13 . 1 1 44 44 LYS H H 44 8.320 8.320 8.636 -0.316 19613 4320 1 13 . 1 1 45 45 ALA N N 45 119.150 119.150 122.086 -2.936 19613 4321 1 13 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.124 -0.154 19613 4322 1 13 . 1 1 45 45 ALA C C 45 180.320 180.320 179.658 0.662 19613 4323 1 13 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.728 0.252 19613 4324 1 13 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.921 -0.541 19613 4325 1 13 . 1 1 45 45 ALA H H 45 8.360 8.360 8.263 0.097 19613 4326 1 13 . 1 1 46 46 ALA N N 46 120.560 120.560 121.956 -1.396 19613 4327 1 13 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.121 -0.091 19613 4328 1 13 . 1 1 46 46 ALA C C 46 180.760 180.760 180.113 0.647 19613 4329 1 13 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.684 -0.154 19613 4330 1 13 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.252 -0.182 19613 4331 1 13 . 1 1 46 46 ALA H H 46 7.530 7.530 8.174 -0.644 19613 4332 1 13 . 1 1 47 47 VAL N N 47 120.280 120.280 119.051 1.229 19613 4333 1 13 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.536 -0.156 19613 4334 1 13 . 1 1 47 47 VAL C C 47 176.860 176.860 177.937 -1.077 19613 4335 1 13 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.677 0.043 19613 4336 1 13 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.957 -0.537 19613 4337 1 13 . 1 1 47 47 VAL H H 47 7.910 7.910 8.024 -0.114 19613 4338 1 13 . 1 1 48 48 VAL N N 48 119.370 119.370 119.570 -0.200 19613 4339 1 13 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.461 -0.111 19613 4340 1 13 . 1 1 48 48 VAL C C 48 178.200 178.200 177.476 0.724 19613 4341 1 13 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.157 -0.297 19613 4342 1 13 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.334 0.646 19613 4343 1 13 . 1 1 48 48 VAL H H 48 8.240 8.240 7.984 0.256 19613 4344 1 13 . 1 1 49 49 LYS N N 49 117.640 117.640 119.961 -2.321 19613 4345 1 13 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.927 0.153 19613 4346 1 13 . 1 1 49 49 LYS C C 49 178.920 178.920 178.588 0.332 19613 4347 1 13 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.619 -0.629 19613 4348 1 13 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.295 0.225 19613 4349 1 13 . 1 1 49 49 LYS H H 49 7.830 7.830 7.961 -0.131 19613 4350 1 13 . 1 1 50 50 ALA N N 50 120.810 120.810 122.098 -1.288 19613 4351 1 13 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.066 -0.006 19613 4352 1 13 . 1 1 50 50 ALA C C 50 179.390 179.390 179.838 -0.448 19613 4353 1 13 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.885 -0.085 19613 4354 1 13 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.065 0.935 19613 4355 1 13 . 1 1 50 50 ALA H H 50 7.920 7.920 7.803 0.117 19613 4356 1 13 . 1 1 51 51 LEU N N 51 118.510 118.510 119.174 -0.664 19613 4357 1 13 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.634 -0.074 19613 4358 1 13 . 1 1 51 51 LEU C C 51 177.800 177.800 178.809 -1.009 19613 4359 1 13 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.093 0.117 19613 4360 1 13 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.087 -0.797 19613 4361 1 13 . 1 1 51 51 LEU H H 51 8.210 8.210 8.271 -0.061 19613 4362 1 13 . 1 1 52 52 ASP N N 52 116.940 116.940 118.395 -1.455 19613 4363 1 13 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.539 -0.019 19613 4364 1 13 . 1 1 52 52 ASP C C 52 178.800 178.800 179.033 -0.233 19613 4365 1 13 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.989 0.411 19613 4366 1 13 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.242 0.668 19613 4367 1 13 . 1 1 52 52 ASP H H 52 7.710 7.710 7.870 -0.160 19613 4368 1 13 . 1 1 53 53 GLN N N 53 120.360 120.360 120.704 -0.344 19613 4369 1 13 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.100 -0.120 19613 4370 1 13 . 1 1 53 53 GLN C C 53 178.310 178.310 178.302 0.008 19613 4371 1 13 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.482 0.888 19613 4372 1 13 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.196 0.144 19613 4373 1 13 . 1 1 53 53 GLN H H 53 8.200 8.200 8.075 0.125 19613 4374 1 13 . 1 1 54 54 LEU N N 54 118.990 118.990 119.861 -0.871 19613 4375 1 13 . 1 1 54 54 LEU HA H 54 3.980 3.980 3.963 0.017 19613 4376 1 13 . 1 1 54 54 LEU C C 54 179.660 179.660 178.658 1.002 19613 4377 1 13 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.761 -0.011 19613 4378 1 13 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.559 1.881 19613 4379 1 13 . 1 1 54 54 LEU H H 54 8.500 8.500 8.528 -0.028 19613 4380 1 13 . 1 1 55 55 ALA N N 55 122.270 122.270 121.217 1.053 19613 4381 1 13 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.340 0.030 19613 4382 1 13 . 1 1 55 55 ALA C C 55 181.940 181.940 179.728 2.212 19613 4383 1 13 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.481 0.229 19613 4384 1 13 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.541 -0.951 19613 4385 1 13 . 1 1 55 55 ALA H H 55 8.350 8.350 7.780 0.570 19613 4386 1 13 . 1 1 56 56 GLN N N 56 122.320 122.320 117.738 4.582 19613 4387 1 13 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.077 -0.007 19613 4388 1 13 . 1 1 56 56 GLN C C 56 178.840 178.840 178.379 0.461 19613 4389 1 13 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.014 1.166 19613 4390 1 13 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.483 -0.433 19613 4391 1 13 . 1 1 56 56 GLN H H 56 8.610 8.610 7.999 0.611 19613 4392 1 13 . 1 1 57 57 GLU N N 57 115.890 115.890 117.121 -1.231 19613 4393 1 13 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.230 -0.010 19613 4394 1 13 . 1 1 57 57 GLU C C 57 177.000 177.000 177.386 -0.386 19613 4395 1 13 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.739 -0.059 19613 4396 1 13 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.194 0.596 19613 4397 1 13 . 1 1 57 57 GLU H H 57 8.060 8.060 8.050 0.010 19613 4398 1 13 . 1 1 58 58 GLY N N 58 107.440 107.440 106.538 0.902 19613 4399 1 13 . 1 1 58 58 GLY C C 58 174.340 174.340 174.989 -0.649 19613 4400 1 13 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.319 0.261 19613 4401 1 13 . 1 1 58 58 GLY H H 58 7.920 7.920 7.876 0.044 19613 4402 1 13 . 1 1 59 59 LYS N N 59 118.190 118.190 119.002 -0.812 19613 4403 1 13 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.487 -0.327 19613 4404 1 13 . 1 1 59 59 LYS C C 59 176.150 176.150 176.069 0.081 19613 4405 1 13 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.036 0.754 19613 4406 1 13 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.834 0.346 19613 4407 1 13 . 1 1 59 59 LYS H H 59 8.170 8.170 8.499 -0.329 19613 4408 1 13 . 1 1 60 60 ILE N N 60 107.860 107.860 114.085 -6.225 19613 4409 1 13 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.471 0.099 19613 4410 1 13 . 1 1 60 60 ILE C C 60 172.900 172.900 173.916 -1.016 19613 4411 1 13 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.243 -0.703 19613 4412 1 13 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.335 -0.425 19613 4413 1 13 . 1 1 60 60 ILE H H 60 7.140 7.140 7.310 -0.170 19613 4414 1 13 . 1 1 61 61 LYS N N 61 119.750 119.750 120.203 -0.453 19613 4415 1 13 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.449 -0.039 19613 4416 1 13 . 1 1 61 61 LYS C C 61 173.930 173.930 174.586 -0.656 19613 4417 1 13 . 1 1 61 61 LYS CA C 61 54.260 54.260 55.008 -0.748 19613 4418 1 13 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.812 -0.142 19613 4419 1 13 . 1 1 61 61 LYS H H 61 8.670 8.670 8.625 0.045 19613 4420 1 13 . 1 1 62 62 GLU N N 62 117.580 117.580 119.538 -1.958 19613 4421 1 13 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.010 0.130 19613 4422 1 13 . 1 1 62 62 GLU C C 62 175.630 175.630 175.475 0.155 19613 4423 1 13 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.471 -0.890 19613 4424 1 13 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.029 0.881 19613 4425 1 13 . 1 1 62 62 GLU H H 62 8.130 8.130 8.223 -0.093 19613 4426 1 13 . 1 1 63 63 LYS N N 63 122.890 122.890 123.752 -0.862 19613 4427 1 13 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.619 -0.069 19613 4428 1 13 . 1 1 63 63 LYS C C 63 174.510 174.510 175.223 -0.713 19613 4429 1 13 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.215 -0.206 19613 4430 1 13 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.214 0.066 19613 4431 1 13 . 1 1 63 63 LYS H H 63 8.880 8.880 8.839 0.041 19613 4432 1 13 . 1 1 64 64 THR N N 64 117.560 117.560 120.260 -2.700 19613 4433 1 13 . 1 1 64 64 THR HA H 64 4.760 4.760 4.634 0.126 19613 4434 1 13 . 1 1 64 64 THR C C 64 173.870 173.870 173.909 -0.039 19613 4435 1 13 . 1 1 64 64 THR CA C 64 62.120 62.120 62.444 -0.324 19613 4436 1 13 . 1 1 64 64 THR CB C 64 69.740 69.740 69.323 0.417 19613 4437 1 13 . 1 1 64 64 THR H H 64 8.410 8.410 8.470 -0.060 19613 4438 1 13 . 1 1 65 65 TYR N N 65 127.630 127.630 128.368 -0.738 19613 4439 1 13 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.514 0.196 19613 4440 1 13 . 1 1 65 65 TYR C C 65 175.780 175.780 176.092 -0.312 19613 4441 1 13 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.985 -0.455 19613 4442 1 13 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.564 1.656 19613 4443 1 13 . 1 1 65 65 TYR H H 65 8.770 8.770 9.003 -0.233 19613 4444 1 13 . 1 1 67 67 LYS N N 67 120.220 120.220 124.388 -4.168 19613 4445 1 13 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.439 -0.239 19613 4446 1 13 . 1 1 67 67 LYS C C 67 175.890 175.890 176.019 -0.129 19613 4447 1 13 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.151 0.149 19613 4448 1 13 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.217 -1.037 19613 4449 1 13 . 1 1 67 67 LYS H H 67 8.110 8.110 8.600 -0.490 19613 4450 1 13 . 1 1 68 68 GLN N N 68 119.090 119.090 119.766 -0.676 19613 4451 1 13 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.623 0.057 19613 4452 1 13 . 1 1 68 68 GLN C C 68 174.080 174.080 174.547 -0.467 19613 4453 1 13 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.392 0.408 19613 4454 1 13 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.360 0.230 19613 4455 1 13 . 1 1 68 68 GLN H H 68 7.920 7.920 7.633 0.287 19613 4456 1 13 . 1 1 69 69 LYS N N 69 123.400 123.400 120.788 2.612 19613 4457 1 13 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.980 -0.240 19613 4458 1 13 . 1 1 69 69 LYS C C 69 175.820 175.820 175.503 0.317 19613 4459 1 13 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.501 0.589 19613 4460 1 13 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.327 -1.417 19613 4461 1 13 . 1 1 69 69 LYS H H 69 8.370 8.370 8.618 -0.248 19613 4462 1 13 . 1 1 70 70 ILE N N 70 120.640 120.640 120.961 -0.321 19613 4463 1 13 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.737 -0.177 19613 4464 1 13 . 1 1 70 70 ILE C C 70 173.330 173.330 174.280 -0.950 19613 4465 1 13 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.480 -1.430 19613 4466 1 13 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.391 -0.711 19613 4467 1 13 . 1 1 70 70 ILE H H 70 8.780 8.780 8.908 -0.128 19613 4468 1 13 . 1 1 71 71 TYR N N 71 120.200 120.200 124.850 -4.650 19613 4469 1 13 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.488 0.102 19613 4470 1 13 . 1 1 71 71 TYR C C 71 175.840 175.840 175.170 0.670 19613 4471 1 13 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.077 0.734 19613 4472 1 13 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.570 0.950 19613 4473 1 13 . 1 1 71 71 TYR H H 71 8.810 8.810 9.326 -0.516 19613 4474 1 13 . 1 1 72 72 PHE N N 72 113.950 113.950 116.582 -2.632 19613 4475 1 13 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.183 -0.183 19613 4476 1 13 . 1 1 72 72 PHE C C 72 172.950 172.950 173.434 -0.484 19613 4477 1 13 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.069 -0.359 19613 4478 1 13 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.015 -1.965 19613 4479 1 13 . 1 1 72 72 PHE H H 72 8.470 8.470 8.754 -0.284 19613 4480 1 13 . 1 1 73 73 ALA N N 73 123.890 123.890 123.596 0.294 19613 4481 1 13 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.273 0.267 19613 4482 1 13 . 1 1 73 73 ALA C C 73 176.090 176.090 176.349 -0.259 19613 4483 1 13 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.880 -0.410 19613 4484 1 13 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.812 0.168 19613 4485 1 13 . 1 1 73 73 ALA H H 73 8.850 8.850 8.833 0.017 19613 4486 1 14 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.162 -0.202 19613 4487 1 14 . 1 1 13 13 PRO C C 13 177.740 177.740 179.047 -1.307 19613 4488 1 14 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.122 0.858 19613 4489 1 14 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.981 -0.561 19613 4490 1 14 . 1 1 14 14 GLY N N 14 103.910 103.910 105.848 -1.938 19613 4491 1 14 . 1 1 14 14 GLY C C 14 176.450 176.450 176.526 -0.076 19613 4492 1 14 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.733 0.467 19613 4493 1 14 . 1 1 14 14 GLY H H 14 7.620 7.620 8.406 -0.786 19613 4494 1 14 . 1 1 15 15 ILE N N 15 122.900 122.900 123.359 -0.459 19613 4495 1 14 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.540 -0.070 19613 4496 1 14 . 1 1 15 15 ILE C C 15 178.810 178.810 177.987 0.823 19613 4497 1 14 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.360 -0.620 19613 4498 1 14 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.778 1.002 19613 4499 1 14 . 1 1 15 15 ILE H H 15 7.660 7.660 7.709 -0.049 19613 4500 1 14 . 1 1 16 16 ILE N N 16 120.300 120.300 119.735 0.565 19613 4501 1 14 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.675 -0.345 19613 4502 1 14 . 1 1 16 16 ILE C C 16 176.680 176.680 178.015 -1.335 19613 4503 1 14 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.384 0.066 19613 4504 1 14 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.871 -0.001 19613 4505 1 14 . 1 1 16 16 ILE H H 16 8.130 8.130 8.333 -0.203 19613 4506 1 14 . 1 1 17 17 LEU N N 17 120.680 120.680 121.213 -0.533 19613 4507 1 14 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.963 -0.103 19613 4508 1 14 . 1 1 17 17 LEU C C 17 177.830 177.830 178.568 -0.738 19613 4509 1 14 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.624 -0.064 19613 4510 1 14 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.617 0.023 19613 4511 1 14 . 1 1 17 17 LEU H H 17 8.560 8.560 8.187 0.373 19613 4512 1 14 . 1 1 18 18 ARG N N 18 116.160 116.160 117.555 -1.395 19613 4513 1 14 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.007 0.073 19613 4514 1 14 . 1 1 18 18 ARG C C 18 178.250 178.250 178.921 -0.671 19613 4515 1 14 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.452 -0.132 19613 4516 1 14 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.003 -0.413 19613 4517 1 14 . 1 1 18 18 ARG H H 18 7.580 7.580 7.927 -0.347 19613 4518 1 14 . 1 1 19 19 TYR N N 19 119.280 119.280 122.472 -3.192 19613 4519 1 14 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.229 0.121 19613 4520 1 14 . 1 1 19 19 TYR C C 19 177.480 177.480 177.709 -0.229 19613 4521 1 14 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.438 0.122 19613 4522 1 14 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.252 0.148 19613 4523 1 14 . 1 1 19 19 TYR H H 19 7.820 7.820 8.248 -0.428 19613 4524 1 14 . 1 1 20 20 LEU N N 20 117.650 117.650 118.715 -1.065 19613 4525 1 14 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.876 0.044 19613 4526 1 14 . 1 1 20 20 LEU C C 20 181.270 181.270 179.620 1.650 19613 4527 1 14 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.621 0.729 19613 4528 1 14 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.701 -0.071 19613 4529 1 14 . 1 1 20 20 LEU H H 20 8.610 8.610 8.664 -0.054 19613 4530 1 14 . 1 1 21 21 GLN N N 21 119.530 119.530 118.564 0.966 19613 4531 1 14 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.090 -0.170 19613 4532 1 14 . 1 1 21 21 GLN C C 21 177.950 177.950 178.224 -0.274 19613 4533 1 14 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.675 0.165 19613 4534 1 14 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.836 -0.436 19613 4535 1 14 . 1 1 21 21 GLN H H 21 8.630 8.630 8.111 0.519 19613 4536 1 14 . 1 1 22 22 GLU N N 22 118.500 118.500 118.890 -0.390 19613 4537 1 14 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.095 -0.085 19613 4538 1 14 . 1 1 22 22 GLU C C 22 178.790 178.790 178.265 0.525 19613 4539 1 14 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.630 -0.000 19613 4540 1 14 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.879 -0.009 19613 4541 1 14 . 1 1 22 22 GLU H H 22 8.260 8.260 8.078 0.182 19613 4542 1 14 . 1 1 23 23 GLN N N 23 115.130 115.130 116.702 -1.572 19613 4543 1 14 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.272 -0.302 19613 4544 1 14 . 1 1 23 23 GLN C C 23 177.150 177.150 176.631 0.519 19613 4545 1 14 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.002 0.498 19613 4546 1 14 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.201 1.149 19613 4547 1 14 . 1 1 23 23 GLN H H 23 8.110 8.110 7.912 0.198 19613 4548 1 14 . 1 1 24 24 ASN N N 24 113.770 113.770 115.925 -2.155 19613 4549 1 14 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.375 0.175 19613 4550 1 14 . 1 1 24 24 ASN C C 24 173.280 173.280 173.878 -0.598 19613 4551 1 14 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.134 -0.274 19613 4552 1 14 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.585 0.255 19613 4553 1 14 . 1 1 24 24 ASN H H 24 8.000 8.000 8.195 -0.195 19613 4554 1 14 . 1 1 25 25 ARG N N 25 113.220 113.220 117.080 -3.860 19613 4555 1 14 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.684 0.046 19613 4556 1 14 . 1 1 25 25 ARG C C 25 172.740 172.740 173.432 -0.692 19613 4557 1 14 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.513 0.877 19613 4558 1 14 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.108 -0.608 19613 4559 1 14 . 1 1 25 25 ARG H H 25 7.100 7.100 7.668 -0.568 19613 4560 1 14 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.730 0.570 19613 4561 1 14 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.404 -1.074 19613 4562 1 14 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.115 0.575 19613 4563 1 14 . 1 1 27 27 TYR N N 27 118.560 118.560 122.545 -3.985 19613 4564 1 14 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.778 0.382 19613 4565 1 14 . 1 1 27 27 TYR C C 27 175.960 175.960 175.833 0.127 19613 4566 1 14 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.825 0.795 19613 4567 1 14 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.554 3.276 19613 4568 1 14 . 1 1 27 27 TYR H H 27 9.040 9.040 8.913 0.127 19613 4569 1 14 . 1 1 28 28 SER N N 28 117.540 117.540 118.870 -1.330 19613 4570 1 14 . 1 1 28 28 SER HA H 28 5.290 5.290 4.955 0.335 19613 4571 1 14 . 1 1 28 28 SER C C 28 175.120 175.120 176.095 -0.975 19613 4572 1 14 . 1 1 28 28 SER CA C 28 56.790 56.790 57.635 -0.845 19613 4573 1 14 . 1 1 28 28 SER CB C 28 65.290 65.290 65.066 0.224 19613 4574 1 14 . 1 1 28 28 SER H H 28 9.590 9.590 9.235 0.355 19613 4575 1 14 . 1 1 29 29 ALA N N 29 122.480 122.480 122.842 -0.362 19613 4576 1 14 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.142 -0.252 19613 4577 1 14 . 1 1 29 29 ALA C C 29 179.570 179.570 180.002 -0.432 19613 4578 1 14 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.672 0.018 19613 4579 1 14 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.633 0.307 19613 4580 1 14 . 1 1 29 29 ALA H H 29 9.830 9.830 8.936 0.894 19613 4581 1 14 . 1 1 30 30 GLN N N 30 116.680 116.680 116.874 -0.194 19613 4582 1 14 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.342 -0.342 19613 4583 1 14 . 1 1 30 30 GLN C C 30 178.110 178.110 178.533 -0.423 19613 4584 1 14 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.063 0.957 19613 4585 1 14 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.394 -0.484 19613 4586 1 14 . 1 1 30 30 GLN H H 30 8.580 8.580 7.844 0.736 19613 4587 1 14 . 1 1 31 31 ASP N N 31 120.540 120.540 122.092 -1.552 19613 4588 1 14 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.514 0.056 19613 4589 1 14 . 1 1 31 31 ASP C C 31 178.000 178.000 178.946 -0.946 19613 4590 1 14 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.650 -0.580 19613 4591 1 14 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.661 0.349 19613 4592 1 14 . 1 1 31 31 ASP H H 31 7.950 7.950 8.323 -0.373 19613 4593 1 14 . 1 1 32 32 VAL N N 32 120.050 120.050 119.442 0.608 19613 4594 1 14 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.479 -0.369 19613 4595 1 14 . 1 1 32 32 VAL C C 32 176.700 176.700 177.598 -0.898 19613 4596 1 14 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.173 1.507 19613 4597 1 14 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.802 -0.792 19613 4598 1 14 . 1 1 32 32 VAL H H 32 8.220 8.220 8.239 -0.019 19613 4599 1 14 . 1 1 33 33 PHE N N 33 116.980 116.980 121.189 -4.209 19613 4600 1 14 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.112 0.018 19613 4601 1 14 . 1 1 33 33 PHE C C 33 177.340 177.340 177.166 0.174 19613 4602 1 14 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.114 -0.934 19613 4603 1 14 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.700 -0.280 19613 4604 1 14 . 1 1 33 33 PHE H H 33 8.290 8.290 7.504 0.786 19613 4605 1 14 . 1 1 34 34 GLY N N 34 105.970 105.970 105.830 0.140 19613 4606 1 14 . 1 1 34 34 GLY C C 34 176.440 176.440 176.096 0.344 19613 4607 1 14 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.218 -0.458 19613 4608 1 14 . 1 1 34 34 GLY H H 34 8.560 8.560 8.585 -0.025 19613 4609 1 14 . 1 1 35 35 ASN N N 35 119.330 119.330 120.051 -0.721 19613 4610 1 14 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.512 -0.012 19613 4611 1 14 . 1 1 35 35 ASN C C 35 177.080 177.080 177.301 -0.221 19613 4612 1 14 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.069 -0.489 19613 4613 1 14 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.517 -0.807 19613 4614 1 14 . 1 1 35 35 ASN H H 35 8.270 8.270 7.988 0.282 19613 4615 1 14 . 1 1 36 36 LEU N N 36 117.960 117.960 119.625 -1.665 19613 4616 1 14 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.284 0.196 19613 4617 1 14 . 1 1 36 36 LEU C C 36 177.990 177.990 178.168 -0.178 19613 4618 1 14 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.559 -0.469 19613 4619 1 14 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.156 1.114 19613 4620 1 14 . 1 1 36 36 LEU H H 36 7.450 7.450 7.803 -0.353 19613 4621 1 14 . 1 1 37 37 GLN N N 37 121.190 121.190 120.823 0.367 19613 4622 1 14 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.787 0.063 19613 4623 1 14 . 1 1 37 37 GLN C C 37 178.240 178.240 177.714 0.526 19613 4624 1 14 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.513 0.767 19613 4625 1 14 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.202 -0.222 19613 4626 1 14 . 1 1 37 37 GLN H H 37 7.310 7.310 8.039 -0.729 19613 4627 1 14 . 1 1 38 38 LYS N N 38 119.590 119.590 117.436 2.154 19613 4628 1 14 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.112 -0.252 19613 4629 1 14 . 1 1 38 38 LYS C C 38 178.090 178.090 178.175 -0.085 19613 4630 1 14 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.196 1.204 19613 4631 1 14 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.387 -0.687 19613 4632 1 14 . 1 1 38 38 LYS H H 38 8.500 8.500 8.009 0.491 19613 4633 1 14 . 1 1 39 39 GLU N N 39 116.720 116.720 117.632 -0.912 19613 4634 1 14 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.073 -0.153 19613 4635 1 14 . 1 1 39 39 GLU C C 39 176.580 176.580 177.793 -1.213 19613 4636 1 14 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.396 -0.146 19613 4637 1 14 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.188 0.292 19613 4638 1 14 . 1 1 39 39 GLU H H 39 8.290 8.290 8.099 0.191 19613 4639 1 14 . 1 1 40 40 HIS N N 40 112.640 112.640 114.588 -1.948 19613 4640 1 14 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.717 -0.007 19613 4641 1 14 . 1 1 40 40 HIS C C 40 176.970 176.970 175.722 1.248 19613 4642 1 14 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.299 0.331 19613 4643 1 14 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.913 1.057 19613 4644 1 14 . 1 1 40 40 HIS H H 40 7.640 7.640 7.688 -0.048 19613 4645 1 14 . 1 1 41 41 GLY N N 41 108.210 108.210 108.307 -0.097 19613 4646 1 14 . 1 1 41 41 GLY C C 41 174.560 174.560 174.208 0.352 19613 4647 1 14 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.290 1.890 19613 4648 1 14 . 1 1 41 41 GLY H H 41 8.100 8.100 8.181 -0.081 19613 4649 1 14 . 1 1 42 42 LEU N N 42 117.300 117.300 121.574 -4.274 19613 4650 1 14 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.413 -0.103 19613 4651 1 14 . 1 1 42 42 LEU C C 42 177.790 177.790 177.459 0.331 19613 4652 1 14 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.885 -0.475 19613 4653 1 14 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.442 0.378 19613 4654 1 14 . 1 1 42 42 LEU H H 42 6.850 6.850 7.311 -0.461 19613 4655 1 14 . 1 1 43 43 GLY N N 43 109.450 109.450 109.432 0.018 19613 4656 1 14 . 1 1 43 43 GLY C C 43 173.630 173.630 175.027 -1.397 19613 4657 1 14 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.387 -0.047 19613 4658 1 14 . 1 1 43 43 GLY H H 43 8.690 8.690 8.336 0.354 19613 4659 1 14 . 1 1 44 44 LYS N N 44 123.130 123.130 120.683 2.447 19613 4660 1 14 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.462 -0.282 19613 4661 1 14 . 1 1 44 44 LYS C C 44 177.960 177.960 178.997 -1.037 19613 4662 1 14 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.673 0.777 19613 4663 1 14 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.040 -1.090 19613 4664 1 14 . 1 1 44 44 LYS H H 44 8.320 8.320 8.624 -0.304 19613 4665 1 14 . 1 1 45 45 ALA N N 45 119.150 119.150 122.098 -2.948 19613 4666 1 14 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.118 -0.148 19613 4667 1 14 . 1 1 45 45 ALA C C 45 180.320 180.320 179.609 0.711 19613 4668 1 14 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.766 0.214 19613 4669 1 14 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.924 -0.544 19613 4670 1 14 . 1 1 45 45 ALA H H 45 8.360 8.360 8.255 0.105 19613 4671 1 14 . 1 1 46 46 ALA N N 46 120.560 120.560 121.892 -1.332 19613 4672 1 14 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.102 -0.072 19613 4673 1 14 . 1 1 46 46 ALA C C 46 180.760 180.760 180.162 0.598 19613 4674 1 14 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.746 -0.216 19613 4675 1 14 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.212 -0.142 19613 4676 1 14 . 1 1 46 46 ALA H H 46 7.530 7.530 8.273 -0.743 19613 4677 1 14 . 1 1 47 47 VAL N N 47 120.280 120.280 118.891 1.389 19613 4678 1 14 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.526 -0.146 19613 4679 1 14 . 1 1 47 47 VAL C C 47 176.860 176.860 177.947 -1.087 19613 4680 1 14 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.634 0.086 19613 4681 1 14 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.927 -0.507 19613 4682 1 14 . 1 1 47 47 VAL H H 47 7.910 7.910 7.978 -0.068 19613 4683 1 14 . 1 1 48 48 VAL N N 48 119.370 119.370 119.673 -0.303 19613 4684 1 14 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.461 -0.111 19613 4685 1 14 . 1 1 48 48 VAL C C 48 178.200 178.200 177.745 0.455 19613 4686 1 14 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.067 -0.206 19613 4687 1 14 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.354 0.626 19613 4688 1 14 . 1 1 48 48 VAL H H 48 8.240 8.240 7.948 0.292 19613 4689 1 14 . 1 1 49 49 LYS N N 49 117.640 117.640 119.001 -1.361 19613 4690 1 14 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.995 0.085 19613 4691 1 14 . 1 1 49 49 LYS C C 49 178.920 178.920 178.904 0.016 19613 4692 1 14 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.581 -0.591 19613 4693 1 14 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.145 0.375 19613 4694 1 14 . 1 1 49 49 LYS H H 49 7.830 7.830 8.142 -0.312 19613 4695 1 14 . 1 1 50 50 ALA N N 50 120.810 120.810 122.930 -2.120 19613 4696 1 14 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.117 -0.057 19613 4697 1 14 . 1 1 50 50 ALA C C 50 179.390 179.390 179.627 -0.237 19613 4698 1 14 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.874 -0.074 19613 4699 1 14 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.064 0.936 19613 4700 1 14 . 1 1 50 50 ALA H H 50 7.920 7.920 7.782 0.138 19613 4701 1 14 . 1 1 51 51 LEU N N 51 118.510 118.510 119.364 -0.854 19613 4702 1 14 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.616 -0.056 19613 4703 1 14 . 1 1 51 51 LEU C C 51 177.800 177.800 178.758 -0.958 19613 4704 1 14 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.066 0.144 19613 4705 1 14 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.095 -0.805 19613 4706 1 14 . 1 1 51 51 LEU H H 51 8.210 8.210 8.184 0.026 19613 4707 1 14 . 1 1 52 52 ASP N N 52 116.940 116.940 118.282 -1.342 19613 4708 1 14 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.490 0.030 19613 4709 1 14 . 1 1 52 52 ASP C C 52 178.800 178.800 178.898 -0.098 19613 4710 1 14 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.164 0.236 19613 4711 1 14 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.151 0.759 19613 4712 1 14 . 1 1 52 52 ASP H H 52 7.710 7.710 7.841 -0.131 19613 4713 1 14 . 1 1 53 53 GLN N N 53 120.360 120.360 120.979 -0.619 19613 4714 1 14 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.078 -0.098 19613 4715 1 14 . 1 1 53 53 GLN C C 53 178.310 178.310 178.379 -0.069 19613 4716 1 14 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.463 0.907 19613 4717 1 14 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.317 0.023 19613 4718 1 14 . 1 1 53 53 GLN H H 53 8.200 8.200 7.996 0.204 19613 4719 1 14 . 1 1 54 54 LEU N N 54 118.990 118.990 119.209 -0.219 19613 4720 1 14 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.099 -0.119 19613 4721 1 14 . 1 1 54 54 LEU C C 54 179.660 179.660 178.996 0.664 19613 4722 1 14 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.575 0.174 19613 4723 1 14 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.668 1.772 19613 4724 1 14 . 1 1 54 54 LEU H H 54 8.500 8.500 8.389 0.111 19613 4725 1 14 . 1 1 55 55 ALA N N 55 122.270 122.270 121.712 0.558 19613 4726 1 14 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.309 0.061 19613 4727 1 14 . 1 1 55 55 ALA C C 55 181.940 181.940 179.973 1.967 19613 4728 1 14 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.584 0.126 19613 4729 1 14 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.649 -1.059 19613 4730 1 14 . 1 1 55 55 ALA H H 55 8.350 8.350 7.861 0.489 19613 4731 1 14 . 1 1 56 56 GLN N N 56 122.320 122.320 117.658 4.662 19613 4732 1 14 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.084 -0.014 19613 4733 1 14 . 1 1 56 56 GLN C C 56 178.840 178.840 178.439 0.401 19613 4734 1 14 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.130 1.050 19613 4735 1 14 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.881 -0.831 19613 4736 1 14 . 1 1 56 56 GLN H H 56 8.610 8.610 8.169 0.441 19613 4737 1 14 . 1 1 57 57 GLU N N 57 115.890 115.890 117.328 -1.438 19613 4738 1 14 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.192 0.028 19613 4739 1 14 . 1 1 57 57 GLU C C 57 177.000 177.000 177.309 -0.309 19613 4740 1 14 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.904 -0.224 19613 4741 1 14 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.120 0.669 19613 4742 1 14 . 1 1 57 57 GLU H H 57 8.060 8.060 7.833 0.227 19613 4743 1 14 . 1 1 58 58 GLY N N 58 107.440 107.440 106.196 1.244 19613 4744 1 14 . 1 1 58 58 GLY C C 58 174.340 174.340 175.261 -0.921 19613 4745 1 14 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.472 0.108 19613 4746 1 14 . 1 1 58 58 GLY H H 58 7.920 7.920 7.902 0.018 19613 4747 1 14 . 1 1 59 59 LYS N N 59 118.190 118.190 119.036 -0.846 19613 4748 1 14 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.411 -0.251 19613 4749 1 14 . 1 1 59 59 LYS C C 59 176.150 176.150 176.302 -0.152 19613 4750 1 14 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.007 0.783 19613 4751 1 14 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.415 0.765 19613 4752 1 14 . 1 1 59 59 LYS H H 59 8.170 8.170 8.630 -0.460 19613 4753 1 14 . 1 1 60 60 ILE N N 60 107.860 107.860 113.029 -5.169 19613 4754 1 14 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.497 0.073 19613 4755 1 14 . 1 1 60 60 ILE C C 60 172.900 172.900 174.107 -1.207 19613 4756 1 14 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.291 -0.750 19613 4757 1 14 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.699 -0.789 19613 4758 1 14 . 1 1 60 60 ILE H H 60 7.140 7.140 7.272 -0.132 19613 4759 1 14 . 1 1 61 61 LYS N N 61 119.750 119.750 120.571 -0.821 19613 4760 1 14 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.535 -0.125 19613 4761 1 14 . 1 1 61 61 LYS C C 61 173.930 173.930 174.597 -0.667 19613 4762 1 14 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.757 -0.497 19613 4763 1 14 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.078 -0.408 19613 4764 1 14 . 1 1 61 61 LYS H H 61 8.670 8.670 8.399 0.271 19613 4765 1 14 . 1 1 62 62 GLU N N 62 117.580 117.580 122.637 -5.057 19613 4766 1 14 . 1 1 62 62 GLU HA H 62 5.140 5.140 4.983 0.157 19613 4767 1 14 . 1 1 62 62 GLU C C 62 175.630 175.630 175.664 -0.034 19613 4768 1 14 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.623 -1.043 19613 4769 1 14 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.291 1.619 19613 4770 1 14 . 1 1 62 62 GLU H H 62 8.130 8.130 8.488 -0.358 19613 4771 1 14 . 1 1 63 63 LYS N N 63 122.890 122.890 127.018 -4.128 19613 4772 1 14 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.785 -0.235 19613 4773 1 14 . 1 1 63 63 LYS C C 63 174.510 174.510 175.404 -0.894 19613 4774 1 14 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.856 0.154 19613 4775 1 14 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.189 0.091 19613 4776 1 14 . 1 1 63 63 LYS H H 63 8.880 8.880 8.988 -0.108 19613 4777 1 14 . 1 1 64 64 THR N N 64 117.560 117.560 119.993 -2.433 19613 4778 1 14 . 1 1 64 64 THR HA H 64 4.760 4.760 4.848 -0.088 19613 4779 1 14 . 1 1 64 64 THR C C 64 173.870 173.870 174.067 -0.197 19613 4780 1 14 . 1 1 64 64 THR CA C 64 62.120 62.120 62.297 -0.177 19613 4781 1 14 . 1 1 64 64 THR CB C 64 69.740 69.740 69.573 0.167 19613 4782 1 14 . 1 1 64 64 THR H H 64 8.410 8.410 8.631 -0.221 19613 4783 1 14 . 1 1 65 65 TYR N N 65 127.630 127.630 130.233 -2.603 19613 4784 1 14 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.418 0.292 19613 4785 1 14 . 1 1 65 65 TYR C C 65 175.780 175.780 175.904 -0.124 19613 4786 1 14 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.801 -0.271 19613 4787 1 14 . 1 1 65 65 TYR CB C 65 39.220 39.220 38.131 1.089 19613 4788 1 14 . 1 1 65 65 TYR H H 65 8.770 8.770 8.739 0.031 19613 4789 1 14 . 1 1 67 67 LYS N N 67 120.220 120.220 124.254 -4.034 19613 4790 1 14 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.467 -0.267 19613 4791 1 14 . 1 1 67 67 LYS C C 67 175.890 175.890 175.652 0.238 19613 4792 1 14 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.860 0.440 19613 4793 1 14 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.225 -1.046 19613 4794 1 14 . 1 1 67 67 LYS H H 67 8.110 8.110 8.510 -0.400 19613 4795 1 14 . 1 1 68 68 GLN N N 68 119.090 119.090 119.884 -0.794 19613 4796 1 14 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.607 0.073 19613 4797 1 14 . 1 1 68 68 GLN C C 68 174.080 174.080 174.745 -0.665 19613 4798 1 14 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.221 0.579 19613 4799 1 14 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.338 0.252 19613 4800 1 14 . 1 1 68 68 GLN H H 68 7.920 7.920 7.911 0.009 19613 4801 1 14 . 1 1 69 69 LYS N N 69 123.400 123.400 121.125 2.275 19613 4802 1 14 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.879 -0.139 19613 4803 1 14 . 1 1 69 69 LYS C C 69 175.820 175.820 175.511 0.309 19613 4804 1 14 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.688 0.402 19613 4805 1 14 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.905 -0.995 19613 4806 1 14 . 1 1 69 69 LYS H H 69 8.370 8.370 8.587 -0.217 19613 4807 1 14 . 1 1 70 70 ILE N N 70 120.640 120.640 122.183 -1.543 19613 4808 1 14 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.660 -0.100 19613 4809 1 14 . 1 1 70 70 ILE C C 70 173.330 173.330 174.193 -0.863 19613 4810 1 14 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.421 -1.371 19613 4811 1 14 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.150 -0.470 19613 4812 1 14 . 1 1 70 70 ILE H H 70 8.780 8.780 8.871 -0.091 19613 4813 1 14 . 1 1 71 71 TYR N N 71 120.200 120.200 125.093 -4.893 19613 4814 1 14 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.711 -0.121 19613 4815 1 14 . 1 1 71 71 TYR C C 71 175.840 175.840 175.237 0.603 19613 4816 1 14 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.876 0.934 19613 4817 1 14 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.702 0.818 19613 4818 1 14 . 1 1 71 71 TYR H H 71 8.810 8.810 9.290 -0.480 19613 4819 1 14 . 1 1 72 72 PHE N N 72 113.950 113.950 117.122 -3.172 19613 4820 1 14 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.188 -0.188 19613 4821 1 14 . 1 1 72 72 PHE C C 72 172.950 172.950 173.373 -0.423 19613 4822 1 14 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.982 -0.272 19613 4823 1 14 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.129 -2.079 19613 4824 1 14 . 1 1 72 72 PHE H H 72 8.470 8.470 8.718 -0.248 19613 4825 1 14 . 1 1 73 73 ALA N N 73 123.890 123.890 123.447 0.443 19613 4826 1 14 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.282 0.258 19613 4827 1 14 . 1 1 73 73 ALA C C 73 176.090 176.090 176.289 -0.199 19613 4828 1 14 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.823 -0.353 19613 4829 1 14 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.953 0.027 19613 4830 1 14 . 1 1 73 73 ALA H H 73 8.850 8.850 8.873 -0.023 19613 4831 1 15 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.161 -0.201 19613 4832 1 15 . 1 1 13 13 PRO C C 13 177.740 177.740 179.066 -1.326 19613 4833 1 15 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.145 0.835 19613 4834 1 15 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.969 -0.549 19613 4835 1 15 . 1 1 14 14 GLY N N 14 103.910 103.910 105.876 -1.966 19613 4836 1 15 . 1 1 14 14 GLY C C 14 176.450 176.450 176.527 -0.077 19613 4837 1 15 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.721 0.479 19613 4838 1 15 . 1 1 14 14 GLY H H 14 7.620 7.620 8.405 -0.785 19613 4839 1 15 . 1 1 15 15 ILE N N 15 122.900 122.900 123.361 -0.461 19613 4840 1 15 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.563 -0.093 19613 4841 1 15 . 1 1 15 15 ILE C C 15 178.810 178.810 177.989 0.821 19613 4842 1 15 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.368 -0.628 19613 4843 1 15 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.797 0.983 19613 4844 1 15 . 1 1 15 15 ILE H H 15 7.660 7.660 7.731 -0.071 19613 4845 1 15 . 1 1 16 16 ILE N N 16 120.300 120.300 119.857 0.443 19613 4846 1 15 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.676 -0.346 19613 4847 1 15 . 1 1 16 16 ILE C C 16 176.680 176.680 177.995 -1.315 19613 4848 1 15 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.422 0.028 19613 4849 1 15 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.873 -0.003 19613 4850 1 15 . 1 1 16 16 ILE H H 16 8.130 8.130 8.376 -0.246 19613 4851 1 15 . 1 1 17 17 LEU N N 17 120.680 120.680 121.055 -0.375 19613 4852 1 15 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.967 -0.107 19613 4853 1 15 . 1 1 17 17 LEU C C 17 177.830 177.830 178.330 -0.500 19613 4854 1 15 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.551 0.009 19613 4855 1 15 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.529 0.111 19613 4856 1 15 . 1 1 17 17 LEU H H 17 8.560 8.560 8.205 0.355 19613 4857 1 15 . 1 1 18 18 ARG N N 18 116.160 116.160 118.401 -2.241 19613 4858 1 15 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.928 0.152 19613 4859 1 15 . 1 1 18 18 ARG C C 18 178.250 178.250 178.455 -0.205 19613 4860 1 15 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.449 -0.129 19613 4861 1 15 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.938 -0.348 19613 4862 1 15 . 1 1 18 18 ARG H H 18 7.580 7.580 8.007 -0.427 19613 4863 1 15 . 1 1 19 19 TYR N N 19 119.280 119.280 120.945 -1.665 19613 4864 1 15 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.196 0.154 19613 4865 1 15 . 1 1 19 19 TYR C C 19 177.480 177.480 177.896 -0.416 19613 4866 1 15 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.434 0.126 19613 4867 1 15 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.250 0.150 19613 4868 1 15 . 1 1 19 19 TYR H H 19 7.820 7.820 8.101 -0.281 19613 4869 1 15 . 1 1 20 20 LEU N N 20 117.650 117.650 118.515 -0.865 19613 4870 1 15 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.835 0.085 19613 4871 1 15 . 1 1 20 20 LEU C C 20 181.270 181.270 179.603 1.667 19613 4872 1 15 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.566 0.784 19613 4873 1 15 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.679 -0.049 19613 4874 1 15 . 1 1 20 20 LEU H H 20 8.610 8.610 8.638 -0.028 19613 4875 1 15 . 1 1 21 21 GLN N N 21 119.530 119.530 118.862 0.668 19613 4876 1 15 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.084 -0.164 19613 4877 1 15 . 1 1 21 21 GLN C C 21 177.950 177.950 178.268 -0.318 19613 4878 1 15 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.762 0.078 19613 4879 1 15 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.824 -0.424 19613 4880 1 15 . 1 1 21 21 GLN H H 21 8.630 8.630 8.139 0.491 19613 4881 1 15 . 1 1 22 22 GLU N N 22 118.500 118.500 118.796 -0.296 19613 4882 1 15 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.098 -0.088 19613 4883 1 15 . 1 1 22 22 GLU C C 22 178.790 178.790 178.257 0.533 19613 4884 1 15 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.600 0.030 19613 4885 1 15 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.882 -0.012 19613 4886 1 15 . 1 1 22 22 GLU H H 22 8.260 8.260 8.100 0.160 19613 4887 1 15 . 1 1 23 23 GLN N N 23 115.130 115.130 116.836 -1.706 19613 4888 1 15 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.265 -0.295 19613 4889 1 15 . 1 1 23 23 GLN C C 23 177.150 177.150 176.659 0.491 19613 4890 1 15 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.081 0.419 19613 4891 1 15 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.192 1.157 19613 4892 1 15 . 1 1 23 23 GLN H H 23 8.110 8.110 7.816 0.294 19613 4893 1 15 . 1 1 24 24 ASN N N 24 113.770 113.770 115.989 -2.219 19613 4894 1 15 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.379 0.171 19613 4895 1 15 . 1 1 24 24 ASN C C 24 173.280 173.280 173.873 -0.593 19613 4896 1 15 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.135 -0.275 19613 4897 1 15 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.566 0.274 19613 4898 1 15 . 1 1 24 24 ASN H H 24 8.000 8.000 8.201 -0.201 19613 4899 1 15 . 1 1 25 25 ARG N N 25 113.220 113.220 116.963 -3.743 19613 4900 1 15 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.672 0.058 19613 4901 1 15 . 1 1 25 25 ARG C C 25 172.740 172.740 173.331 -0.591 19613 4902 1 15 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.559 0.831 19613 4903 1 15 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.108 -0.608 19613 4904 1 15 . 1 1 25 25 ARG H H 25 7.100 7.100 7.725 -0.625 19613 4905 1 15 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.682 0.618 19613 4906 1 15 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.411 -1.081 19613 4907 1 15 . 1 1 26 26 PRO CB C 26 32.690 32.690 31.989 0.701 19613 4908 1 15 . 1 1 27 27 TYR N N 27 118.560 118.560 123.048 -4.488 19613 4909 1 15 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.901 0.259 19613 4910 1 15 . 1 1 27 27 TYR C C 27 175.960 175.960 175.854 0.106 19613 4911 1 15 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.805 0.815 19613 4912 1 15 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.476 3.354 19613 4913 1 15 . 1 1 27 27 TYR H H 27 9.040 9.040 8.824 0.216 19613 4914 1 15 . 1 1 28 28 SER N N 28 117.540 117.540 119.065 -1.525 19613 4915 1 15 . 1 1 28 28 SER HA H 28 5.290 5.290 5.081 0.209 19613 4916 1 15 . 1 1 28 28 SER C C 28 175.120 175.120 176.139 -1.019 19613 4917 1 15 . 1 1 28 28 SER CA C 28 56.790 56.790 57.555 -0.765 19613 4918 1 15 . 1 1 28 28 SER CB C 28 65.290 65.290 65.150 0.140 19613 4919 1 15 . 1 1 28 28 SER H H 28 9.590 9.590 9.321 0.269 19613 4920 1 15 . 1 1 29 29 ALA N N 29 122.480 122.480 123.343 -0.863 19613 4921 1 15 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.091 -0.201 19613 4922 1 15 . 1 1 29 29 ALA C C 29 179.570 179.570 180.038 -0.468 19613 4923 1 15 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.711 -0.021 19613 4924 1 15 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.676 0.264 19613 4925 1 15 . 1 1 29 29 ALA H H 29 9.830 9.830 8.954 0.876 19613 4926 1 15 . 1 1 30 30 GLN N N 30 116.680 116.680 117.596 -0.916 19613 4927 1 15 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.192 -0.192 19613 4928 1 15 . 1 1 30 30 GLN C C 30 178.110 178.110 178.445 -0.335 19613 4929 1 15 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.911 0.109 19613 4930 1 15 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.656 -0.746 19613 4931 1 15 . 1 1 30 30 GLN H H 30 8.580 8.580 8.431 0.149 19613 4932 1 15 . 1 1 31 31 ASP N N 31 120.540 120.540 121.693 -1.153 19613 4933 1 15 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.507 0.063 19613 4934 1 15 . 1 1 31 31 ASP C C 31 178.000 178.000 178.970 -0.970 19613 4935 1 15 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.552 -0.482 19613 4936 1 15 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.768 0.242 19613 4937 1 15 . 1 1 31 31 ASP H H 31 7.950 7.950 8.240 -0.290 19613 4938 1 15 . 1 1 32 32 VAL N N 32 120.050 120.050 119.589 0.461 19613 4939 1 15 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.464 -0.354 19613 4940 1 15 . 1 1 32 32 VAL C C 32 176.700 176.700 177.753 -1.053 19613 4941 1 15 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.076 1.604 19613 4942 1 15 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.859 -0.849 19613 4943 1 15 . 1 1 32 32 VAL H H 32 8.220 8.220 8.357 -0.137 19613 4944 1 15 . 1 1 33 33 PHE N N 33 116.980 116.980 121.363 -4.383 19613 4945 1 15 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.119 0.011 19613 4946 1 15 . 1 1 33 33 PHE C C 33 177.340 177.340 177.127 0.213 19613 4947 1 15 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.891 -0.711 19613 4948 1 15 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.648 -0.228 19613 4949 1 15 . 1 1 33 33 PHE H H 33 8.290 8.290 7.742 0.548 19613 4950 1 15 . 1 1 34 34 GLY N N 34 105.970 105.970 105.516 0.454 19613 4951 1 15 . 1 1 34 34 GLY C C 34 176.440 176.440 176.099 0.341 19613 4952 1 15 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.028 -0.268 19613 4953 1 15 . 1 1 34 34 GLY H H 34 8.560 8.560 8.544 0.016 19613 4954 1 15 . 1 1 35 35 ASN N N 35 119.330 119.330 119.729 -0.399 19613 4955 1 15 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.506 -0.006 19613 4956 1 15 . 1 1 35 35 ASN C C 35 177.080 177.080 176.943 0.137 19613 4957 1 15 . 1 1 35 35 ASN CA C 35 54.580 54.580 54.892 -0.312 19613 4958 1 15 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.589 -0.879 19613 4959 1 15 . 1 1 35 35 ASN H H 35 8.270 8.270 7.944 0.326 19613 4960 1 15 . 1 1 36 36 LEU N N 36 117.960 117.960 118.878 -0.918 19613 4961 1 15 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.472 0.008 19613 4962 1 15 . 1 1 36 36 LEU C C 36 177.990 177.990 178.020 -0.030 19613 4963 1 15 . 1 1 36 36 LEU CA C 36 55.090 55.090 54.916 0.174 19613 4964 1 15 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.219 1.051 19613 4965 1 15 . 1 1 36 36 LEU H H 36 7.450 7.450 7.688 -0.238 19613 4966 1 15 . 1 1 37 37 GLN N N 37 121.190 121.190 121.235 -0.045 19613 4967 1 15 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.992 -0.142 19613 4968 1 15 . 1 1 37 37 GLN C C 37 178.240 178.240 177.660 0.580 19613 4969 1 15 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.262 1.018 19613 4970 1 15 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.345 -0.365 19613 4971 1 15 . 1 1 37 37 GLN H H 37 7.310 7.310 8.007 -0.697 19613 4972 1 15 . 1 1 38 38 LYS N N 38 119.590 119.590 118.120 1.470 19613 4973 1 15 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.228 -0.368 19613 4974 1 15 . 1 1 38 38 LYS C C 38 178.090 178.090 178.261 -0.171 19613 4975 1 15 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.110 1.290 19613 4976 1 15 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.718 -1.018 19613 4977 1 15 . 1 1 38 38 LYS H H 38 8.500 8.500 7.807 0.693 19613 4978 1 15 . 1 1 39 39 GLU N N 39 116.720 116.720 117.398 -0.678 19613 4979 1 15 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.095 -0.175 19613 4980 1 15 . 1 1 39 39 GLU C C 39 176.580 176.580 177.265 -0.685 19613 4981 1 15 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.189 0.061 19613 4982 1 15 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.169 0.311 19613 4983 1 15 . 1 1 39 39 GLU H H 39 8.290 8.290 8.246 0.044 19613 4984 1 15 . 1 1 40 40 HIS N N 40 112.640 112.640 114.684 -2.044 19613 4985 1 15 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.731 -0.021 19613 4986 1 15 . 1 1 40 40 HIS C C 40 176.970 176.970 175.487 1.483 19613 4987 1 15 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.259 0.371 19613 4988 1 15 . 1 1 40 40 HIS CB C 40 32.970 32.970 32.311 0.659 19613 4989 1 15 . 1 1 40 40 HIS H H 40 7.640 7.640 7.523 0.117 19613 4990 1 15 . 1 1 41 41 GLY N N 41 108.210 108.210 108.369 -0.159 19613 4991 1 15 . 1 1 41 41 GLY C C 41 174.560 174.560 174.149 0.411 19613 4992 1 15 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.193 1.987 19613 4993 1 15 . 1 1 41 41 GLY H H 41 8.100 8.100 8.052 0.048 19613 4994 1 15 . 1 1 42 42 LEU N N 42 117.300 117.300 121.679 -4.379 19613 4995 1 15 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.413 -0.103 19613 4996 1 15 . 1 1 42 42 LEU C C 42 177.790 177.790 177.518 0.272 19613 4997 1 15 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.955 -0.545 19613 4998 1 15 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.428 0.392 19613 4999 1 15 . 1 1 42 42 LEU H H 42 6.850 6.850 7.751 -0.901 19613 5000 1 15 . 1 1 43 43 GLY N N 43 109.450 109.450 109.598 -0.148 19613 5001 1 15 . 1 1 43 43 GLY C C 43 173.630 173.630 174.661 -1.031 19613 5002 1 15 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.584 -0.244 19613 5003 1 15 . 1 1 43 43 GLY H H 43 8.690 8.690 8.370 0.320 19613 5004 1 15 . 1 1 44 44 LYS N N 44 123.130 123.130 122.101 1.029 19613 5005 1 15 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.294 -0.114 19613 5006 1 15 . 1 1 44 44 LYS C C 44 177.960 177.960 178.515 -0.555 19613 5007 1 15 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.105 1.345 19613 5008 1 15 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.840 -0.890 19613 5009 1 15 . 1 1 44 44 LYS H H 44 8.320 8.320 8.670 -0.350 19613 5010 1 15 . 1 1 45 45 ALA N N 45 119.150 119.150 121.402 -2.252 19613 5011 1 15 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.097 -0.127 19613 5012 1 15 . 1 1 45 45 ALA C C 45 180.320 180.320 179.453 0.867 19613 5013 1 15 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.664 0.315 19613 5014 1 15 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.875 -0.495 19613 5015 1 15 . 1 1 45 45 ALA H H 45 8.360 8.360 8.338 0.022 19613 5016 1 15 . 1 1 46 46 ALA N N 46 120.560 120.560 121.945 -1.385 19613 5017 1 15 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.119 -0.089 19613 5018 1 15 . 1 1 46 46 ALA C C 46 180.760 180.760 180.116 0.644 19613 5019 1 15 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.666 -0.136 19613 5020 1 15 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.221 -0.152 19613 5021 1 15 . 1 1 46 46 ALA H H 46 7.530 7.530 8.169 -0.639 19613 5022 1 15 . 1 1 47 47 VAL N N 47 120.280 120.280 119.250 1.030 19613 5023 1 15 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.515 -0.135 19613 5024 1 15 . 1 1 47 47 VAL C C 47 176.860 176.860 177.940 -1.080 19613 5025 1 15 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.746 -0.026 19613 5026 1 15 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.910 -0.490 19613 5027 1 15 . 1 1 47 47 VAL H H 47 7.910 7.910 8.213 -0.303 19613 5028 1 15 . 1 1 48 48 VAL N N 48 119.370 119.370 119.595 -0.225 19613 5029 1 15 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.449 -0.099 19613 5030 1 15 . 1 1 48 48 VAL C C 48 178.200 178.200 177.479 0.721 19613 5031 1 15 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.112 -0.252 19613 5032 1 15 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.318 0.662 19613 5033 1 15 . 1 1 48 48 VAL H H 48 8.240 8.240 8.147 0.093 19613 5034 1 15 . 1 1 49 49 LYS N N 49 117.640 117.640 120.026 -2.386 19613 5035 1 15 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.924 0.156 19613 5036 1 15 . 1 1 49 49 LYS C C 49 178.920 178.920 178.554 0.366 19613 5037 1 15 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.632 -0.642 19613 5038 1 15 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.312 0.208 19613 5039 1 15 . 1 1 49 49 LYS H H 49 7.830 7.830 8.141 -0.311 19613 5040 1 15 . 1 1 50 50 ALA N N 50 120.810 120.810 122.213 -1.403 19613 5041 1 15 . 1 1 50 50 ALA HA H 50 4.060 4.060 3.963 0.097 19613 5042 1 15 . 1 1 50 50 ALA C C 50 179.390 179.390 179.330 0.060 19613 5043 1 15 . 1 1 50 50 ALA CA C 50 54.800 54.800 55.051 -0.251 19613 5044 1 15 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.424 0.576 19613 5045 1 15 . 1 1 50 50 ALA H H 50 7.920 7.920 7.862 0.058 19613 5046 1 15 . 1 1 51 51 LEU N N 51 118.510 118.510 119.262 -0.752 19613 5047 1 15 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.622 -0.062 19613 5048 1 15 . 1 1 51 51 LEU C C 51 177.800 177.800 178.711 -0.911 19613 5049 1 15 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.118 0.092 19613 5050 1 15 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.070 -0.780 19613 5051 1 15 . 1 1 51 51 LEU H H 51 8.210 8.210 8.167 0.043 19613 5052 1 15 . 1 1 52 52 ASP N N 52 116.940 116.940 118.439 -1.499 19613 5053 1 15 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.502 0.018 19613 5054 1 15 . 1 1 52 52 ASP C C 52 178.800 178.800 179.005 -0.205 19613 5055 1 15 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.142 0.258 19613 5056 1 15 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.163 0.747 19613 5057 1 15 . 1 1 52 52 ASP H H 52 7.710 7.710 7.832 -0.122 19613 5058 1 15 . 1 1 53 53 GLN N N 53 120.360 120.360 120.411 -0.051 19613 5059 1 15 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.132 -0.152 19613 5060 1 15 . 1 1 53 53 GLN C C 53 178.310 178.310 178.483 -0.173 19613 5061 1 15 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.345 1.025 19613 5062 1 15 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.369 -0.029 19613 5063 1 15 . 1 1 53 53 GLN H H 53 8.200 8.200 7.994 0.206 19613 5064 1 15 . 1 1 54 54 LEU N N 54 118.990 118.990 119.887 -0.897 19613 5065 1 15 . 1 1 54 54 LEU HA H 54 3.980 3.980 3.953 0.027 19613 5066 1 15 . 1 1 54 54 LEU C C 54 179.660 179.660 178.781 0.879 19613 5067 1 15 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.783 -0.033 19613 5068 1 15 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.658 1.782 19613 5069 1 15 . 1 1 54 54 LEU H H 54 8.500 8.500 8.396 0.104 19613 5070 1 15 . 1 1 55 55 ALA N N 55 122.270 122.270 120.534 1.736 19613 5071 1 15 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.372 -0.002 19613 5072 1 15 . 1 1 55 55 ALA C C 55 181.940 181.940 179.736 2.204 19613 5073 1 15 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.388 0.322 19613 5074 1 15 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.575 -0.985 19613 5075 1 15 . 1 1 55 55 ALA H H 55 8.350 8.350 7.965 0.385 19613 5076 1 15 . 1 1 56 56 GLN N N 56 122.320 122.320 118.371 3.949 19613 5077 1 15 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.121 -0.051 19613 5078 1 15 . 1 1 56 56 GLN C C 56 178.840 178.840 177.976 0.864 19613 5079 1 15 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.047 1.133 19613 5080 1 15 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.721 -0.672 19613 5081 1 15 . 1 1 56 56 GLN H H 56 8.610 8.610 8.102 0.508 19613 5082 1 15 . 1 1 57 57 GLU N N 57 115.890 115.890 115.927 -0.037 19613 5083 1 15 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.355 -0.135 19613 5084 1 15 . 1 1 57 57 GLU C C 57 177.000 177.000 176.725 0.275 19613 5085 1 15 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.177 0.503 19613 5086 1 15 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.263 0.527 19613 5087 1 15 . 1 1 57 57 GLU H H 57 8.060 8.060 7.600 0.460 19613 5088 1 15 . 1 1 58 58 GLY N N 58 107.440 107.440 107.000 0.440 19613 5089 1 15 . 1 1 58 58 GLY C C 58 174.340 174.340 175.324 -0.984 19613 5090 1 15 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.639 -0.059 19613 5091 1 15 . 1 1 58 58 GLY H H 58 7.920 7.920 7.649 0.271 19613 5092 1 15 . 1 1 59 59 LYS N N 59 118.190 118.190 118.924 -0.734 19613 5093 1 15 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.373 -0.213 19613 5094 1 15 . 1 1 59 59 LYS C C 59 176.150 176.150 176.320 -0.170 19613 5095 1 15 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.077 0.713 19613 5096 1 15 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.369 0.811 19613 5097 1 15 . 1 1 59 59 LYS H H 59 8.170 8.170 8.566 -0.396 19613 5098 1 15 . 1 1 60 60 ILE N N 60 107.860 107.860 112.711 -4.851 19613 5099 1 15 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.458 0.112 19613 5100 1 15 . 1 1 60 60 ILE C C 60 172.900 172.900 174.136 -1.236 19613 5101 1 15 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.187 -0.647 19613 5102 1 15 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.629 -0.719 19613 5103 1 15 . 1 1 60 60 ILE H H 60 7.140 7.140 7.259 -0.119 19613 5104 1 15 . 1 1 61 61 LYS N N 61 119.750 119.750 120.718 -0.968 19613 5105 1 15 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.511 -0.101 19613 5106 1 15 . 1 1 61 61 LYS C C 61 173.930 173.930 174.668 -0.738 19613 5107 1 15 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.858 -0.598 19613 5108 1 15 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.756 -0.086 19613 5109 1 15 . 1 1 61 61 LYS H H 61 8.670 8.670 8.336 0.334 19613 5110 1 15 . 1 1 62 62 GLU N N 62 117.580 117.580 122.487 -4.907 19613 5111 1 15 . 1 1 62 62 GLU HA H 62 5.140 5.140 4.835 0.305 19613 5112 1 15 . 1 1 62 62 GLU C C 62 175.630 175.630 175.314 0.316 19613 5113 1 15 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.509 -0.929 19613 5114 1 15 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.652 1.258 19613 5115 1 15 . 1 1 62 62 GLU H H 62 8.130 8.130 8.456 -0.326 19613 5116 1 15 . 1 1 63 63 LYS N N 63 122.890 122.890 127.856 -4.966 19613 5117 1 15 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.680 -0.130 19613 5118 1 15 . 1 1 63 63 LYS C C 63 174.510 174.510 175.075 -0.565 19613 5119 1 15 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.803 -0.793 19613 5120 1 15 . 1 1 63 63 LYS CB C 63 36.280 36.280 35.955 0.325 19613 5121 1 15 . 1 1 63 63 LYS H H 63 8.880 8.880 8.936 -0.056 19613 5122 1 15 . 1 1 64 64 THR N N 64 117.560 117.560 123.326 -5.766 19613 5123 1 15 . 1 1 64 64 THR HA H 64 4.760 4.760 4.500 0.260 19613 5124 1 15 . 1 1 64 64 THR C C 64 173.870 173.870 173.567 0.303 19613 5125 1 15 . 1 1 64 64 THR CA C 64 62.120 62.120 63.143 -1.023 19613 5126 1 15 . 1 1 64 64 THR CB C 64 69.740 69.740 69.253 0.487 19613 5127 1 15 . 1 1 64 64 THR H H 64 8.410 8.410 8.580 -0.170 19613 5128 1 15 . 1 1 65 65 TYR N N 65 127.630 127.630 129.321 -1.691 19613 5129 1 15 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.505 0.205 19613 5130 1 15 . 1 1 65 65 TYR C C 65 175.780 175.780 175.307 0.473 19613 5131 1 15 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.141 -0.611 19613 5132 1 15 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.732 -0.512 19613 5133 1 15 . 1 1 65 65 TYR H H 65 8.770 8.770 8.778 -0.008 19613 5134 1 15 . 1 1 67 67 LYS N N 67 120.220 120.220 123.708 -3.488 19613 5135 1 15 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.417 -0.217 19613 5136 1 15 . 1 1 67 67 LYS C C 67 175.890 175.890 176.427 -0.537 19613 5137 1 15 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.219 0.081 19613 5138 1 15 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.204 -1.024 19613 5139 1 15 . 1 1 67 67 LYS H H 67 8.110 8.110 8.491 -0.381 19613 5140 1 15 . 1 1 68 68 GLN N N 68 119.090 119.090 119.327 -0.237 19613 5141 1 15 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.736 -0.056 19613 5142 1 15 . 1 1 68 68 GLN C C 68 174.080 174.080 174.509 -0.429 19613 5143 1 15 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.309 0.491 19613 5144 1 15 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.306 0.284 19613 5145 1 15 . 1 1 68 68 GLN H H 68 7.920 7.920 7.544 0.376 19613 5146 1 15 . 1 1 69 69 LYS N N 69 123.400 123.400 120.382 3.018 19613 5147 1 15 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.540 0.200 19613 5148 1 15 . 1 1 69 69 LYS C C 69 175.820 175.820 175.536 0.284 19613 5149 1 15 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.682 0.408 19613 5150 1 15 . 1 1 69 69 LYS CB C 69 33.910 33.910 34.535 -0.625 19613 5151 1 15 . 1 1 69 69 LYS H H 69 8.370 8.370 8.541 -0.171 19613 5152 1 15 . 1 1 70 70 ILE N N 70 120.640 120.640 121.312 -0.672 19613 5153 1 15 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.659 -0.099 19613 5154 1 15 . 1 1 70 70 ILE C C 70 173.330 173.330 174.430 -1.100 19613 5155 1 15 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.410 -1.360 19613 5156 1 15 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.542 0.138 19613 5157 1 15 . 1 1 70 70 ILE H H 70 8.780 8.780 8.699 0.081 19613 5158 1 15 . 1 1 71 71 TYR N N 71 120.200 120.200 125.127 -4.927 19613 5159 1 15 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.684 -0.094 19613 5160 1 15 . 1 1 71 71 TYR C C 71 175.840 175.840 175.286 0.554 19613 5161 1 15 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.868 0.942 19613 5162 1 15 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.809 0.712 19613 5163 1 15 . 1 1 71 71 TYR H H 71 8.810 8.810 9.302 -0.492 19613 5164 1 15 . 1 1 72 72 PHE N N 72 113.950 113.950 116.730 -2.780 19613 5165 1 15 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.171 -0.171 19613 5166 1 15 . 1 1 72 72 PHE C C 72 172.950 172.950 173.367 -0.417 19613 5167 1 15 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.177 -0.467 19613 5168 1 15 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.009 -1.959 19613 5169 1 15 . 1 1 72 72 PHE H H 72 8.470 8.470 8.670 -0.200 19613 5170 1 15 . 1 1 73 73 ALA N N 73 123.890 123.890 123.264 0.626 19613 5171 1 15 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.296 0.244 19613 5172 1 15 . 1 1 73 73 ALA C C 73 176.090 176.090 176.168 -0.078 19613 5173 1 15 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.791 -0.321 19613 5174 1 15 . 1 1 73 73 ALA CB C 73 19.980 19.980 20.030 -0.050 19613 5175 1 15 . 1 1 73 73 ALA H H 73 8.850 8.850 8.876 -0.026 19613 5176 1 16 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.158 -0.198 19613 5177 1 16 . 1 1 13 13 PRO C C 13 177.740 177.740 179.049 -1.309 19613 5178 1 16 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.149 0.831 19613 5179 1 16 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.970 -0.550 19613 5180 1 16 . 1 1 14 14 GLY N N 14 103.910 103.910 105.822 -1.912 19613 5181 1 16 . 1 1 14 14 GLY C C 14 176.450 176.450 176.529 -0.079 19613 5182 1 16 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.742 0.458 19613 5183 1 16 . 1 1 14 14 GLY H H 14 7.620 7.620 8.415 -0.795 19613 5184 1 16 . 1 1 15 15 ILE N N 15 122.900 122.900 123.338 -0.438 19613 5185 1 16 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.550 -0.080 19613 5186 1 16 . 1 1 15 15 ILE C C 15 178.810 178.810 177.986 0.824 19613 5187 1 16 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.337 -0.597 19613 5188 1 16 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.764 1.016 19613 5189 1 16 . 1 1 15 15 ILE H H 15 7.660 7.660 7.706 -0.046 19613 5190 1 16 . 1 1 16 16 ILE N N 16 120.300 120.300 119.823 0.477 19613 5191 1 16 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.688 -0.358 19613 5192 1 16 . 1 1 16 16 ILE C C 16 176.680 176.680 178.034 -1.354 19613 5193 1 16 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.452 -0.002 19613 5194 1 16 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.871 -0.001 19613 5195 1 16 . 1 1 16 16 ILE H H 16 8.130 8.130 8.348 -0.218 19613 5196 1 16 . 1 1 17 17 LEU N N 17 120.680 120.680 121.130 -0.450 19613 5197 1 16 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.993 -0.133 19613 5198 1 16 . 1 1 17 17 LEU C C 17 177.830 177.830 178.570 -0.740 19613 5199 1 16 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.532 0.028 19613 5200 1 16 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.636 0.004 19613 5201 1 16 . 1 1 17 17 LEU H H 17 8.560 8.560 8.175 0.385 19613 5202 1 16 . 1 1 18 18 ARG N N 18 116.160 116.160 117.714 -1.554 19613 5203 1 16 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.008 0.072 19613 5204 1 16 . 1 1 18 18 ARG C C 18 178.250 178.250 178.970 -0.720 19613 5205 1 16 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.484 -0.164 19613 5206 1 16 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.008 -0.418 19613 5207 1 16 . 1 1 18 18 ARG H H 18 7.580 7.580 8.052 -0.472 19613 5208 1 16 . 1 1 19 19 TYR N N 19 119.280 119.280 122.528 -3.248 19613 5209 1 16 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.260 0.090 19613 5210 1 16 . 1 1 19 19 TYR C C 19 177.480 177.480 177.737 -0.257 19613 5211 1 16 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.306 0.254 19613 5212 1 16 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.325 0.075 19613 5213 1 16 . 1 1 19 19 TYR H H 19 7.820 7.820 8.228 -0.408 19613 5214 1 16 . 1 1 20 20 LEU N N 20 117.650 117.650 118.887 -1.237 19613 5215 1 16 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.841 0.079 19613 5216 1 16 . 1 1 20 20 LEU C C 20 181.270 181.270 179.613 1.657 19613 5217 1 16 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.566 0.784 19613 5218 1 16 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.740 -0.111 19613 5219 1 16 . 1 1 20 20 LEU H H 20 8.610 8.610 8.625 -0.015 19613 5220 1 16 . 1 1 21 21 GLN N N 21 119.530 119.530 118.246 1.284 19613 5221 1 16 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.095 -0.175 19613 5222 1 16 . 1 1 21 21 GLN C C 21 177.950 177.950 177.860 0.090 19613 5223 1 16 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.423 0.417 19613 5224 1 16 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.797 -0.397 19613 5225 1 16 . 1 1 21 21 GLN H H 21 8.630 8.630 8.151 0.479 19613 5226 1 16 . 1 1 22 22 GLU N N 22 118.500 118.500 119.666 -1.166 19613 5227 1 16 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.073 -0.063 19613 5228 1 16 . 1 1 22 22 GLU C C 22 178.790 178.790 178.269 0.521 19613 5229 1 16 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.851 -0.221 19613 5230 1 16 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.895 -0.025 19613 5231 1 16 . 1 1 22 22 GLU H H 22 8.260 8.260 7.877 0.383 19613 5232 1 16 . 1 1 23 23 GLN N N 23 115.130 115.130 116.157 -1.027 19613 5233 1 16 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.287 -0.317 19613 5234 1 16 . 1 1 23 23 GLN C C 23 177.150 177.150 176.498 0.652 19613 5235 1 16 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.098 0.402 19613 5236 1 16 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.724 0.626 19613 5237 1 16 . 1 1 23 23 GLN H H 23 8.110 8.110 7.791 0.319 19613 5238 1 16 . 1 1 24 24 ASN N N 24 113.770 113.770 113.779 -0.009 19613 5239 1 16 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.369 0.181 19613 5240 1 16 . 1 1 24 24 ASN C C 24 173.280 173.280 174.105 -0.825 19613 5241 1 16 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.373 -0.513 19613 5242 1 16 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.176 0.664 19613 5243 1 16 . 1 1 24 24 ASN H H 24 8.000 8.000 8.243 -0.243 19613 5244 1 16 . 1 1 25 25 ARG N N 25 113.220 113.220 117.822 -4.602 19613 5245 1 16 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.722 0.008 19613 5246 1 16 . 1 1 25 25 ARG C C 25 172.740 172.740 173.541 -0.801 19613 5247 1 16 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.549 0.841 19613 5248 1 16 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.871 -0.371 19613 5249 1 16 . 1 1 25 25 ARG H H 25 7.100 7.100 7.659 -0.559 19613 5250 1 16 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.745 0.555 19613 5251 1 16 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.363 -1.033 19613 5252 1 16 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.100 0.590 19613 5253 1 16 . 1 1 27 27 TYR N N 27 118.560 118.560 122.486 -3.926 19613 5254 1 16 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.780 0.380 19613 5255 1 16 . 1 1 27 27 TYR C C 27 175.960 175.960 175.851 0.109 19613 5256 1 16 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.847 0.772 19613 5257 1 16 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.624 3.206 19613 5258 1 16 . 1 1 27 27 TYR H H 27 9.040 9.040 8.903 0.137 19613 5259 1 16 . 1 1 28 28 SER N N 28 117.540 117.540 118.894 -1.354 19613 5260 1 16 . 1 1 28 28 SER HA H 28 5.290 5.290 5.020 0.270 19613 5261 1 16 . 1 1 28 28 SER C C 28 175.120 175.120 176.120 -1.000 19613 5262 1 16 . 1 1 28 28 SER CA C 28 56.790 56.790 57.602 -0.812 19613 5263 1 16 . 1 1 28 28 SER CB C 28 65.290 65.290 65.108 0.182 19613 5264 1 16 . 1 1 28 28 SER H H 28 9.590 9.590 9.241 0.349 19613 5265 1 16 . 1 1 29 29 ALA N N 29 122.480 122.480 123.461 -0.981 19613 5266 1 16 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.092 -0.202 19613 5267 1 16 . 1 1 29 29 ALA C C 29 179.570 179.570 180.036 -0.466 19613 5268 1 16 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.735 -0.045 19613 5269 1 16 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.677 0.263 19613 5270 1 16 . 1 1 29 29 ALA H H 29 9.830 9.830 8.889 0.941 19613 5271 1 16 . 1 1 30 30 GLN N N 30 116.680 116.680 117.615 -0.935 19613 5272 1 16 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.195 -0.195 19613 5273 1 16 . 1 1 30 30 GLN C C 30 178.110 178.110 178.459 -0.349 19613 5274 1 16 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.922 0.097 19613 5275 1 16 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.648 -0.739 19613 5276 1 16 . 1 1 30 30 GLN H H 30 8.580 8.580 8.435 0.145 19613 5277 1 16 . 1 1 31 31 ASP N N 31 120.540 120.540 121.688 -1.148 19613 5278 1 16 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.500 0.070 19613 5279 1 16 . 1 1 31 31 ASP C C 31 178.000 178.000 178.970 -0.970 19613 5280 1 16 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.557 -0.487 19613 5281 1 16 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.757 0.253 19613 5282 1 16 . 1 1 31 31 ASP H H 31 7.950 7.950 8.241 -0.291 19613 5283 1 16 . 1 1 32 32 VAL N N 32 120.050 120.050 119.707 0.343 19613 5284 1 16 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.485 -0.375 19613 5285 1 16 . 1 1 32 32 VAL C C 32 176.700 176.700 177.742 -1.042 19613 5286 1 16 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.174 1.506 19613 5287 1 16 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.865 -0.855 19613 5288 1 16 . 1 1 32 32 VAL H H 32 8.220 8.220 8.408 -0.188 19613 5289 1 16 . 1 1 33 33 PHE N N 33 116.980 116.980 121.423 -4.443 19613 5290 1 16 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.140 -0.010 19613 5291 1 16 . 1 1 33 33 PHE C C 33 177.340 177.340 177.162 0.178 19613 5292 1 16 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.942 -0.762 19613 5293 1 16 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.550 -0.130 19613 5294 1 16 . 1 1 33 33 PHE H H 33 8.290 8.290 7.837 0.453 19613 5295 1 16 . 1 1 34 34 GLY N N 34 105.970 105.970 105.987 -0.017 19613 5296 1 16 . 1 1 34 34 GLY C C 34 176.440 176.440 176.033 0.407 19613 5297 1 16 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.136 -0.377 19613 5298 1 16 . 1 1 34 34 GLY H H 34 8.560 8.560 8.578 -0.018 19613 5299 1 16 . 1 1 35 35 ASN N N 35 119.330 119.330 120.370 -1.040 19613 5300 1 16 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.469 0.031 19613 5301 1 16 . 1 1 35 35 ASN C C 35 177.080 177.080 177.457 -0.377 19613 5302 1 16 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.301 -0.721 19613 5303 1 16 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.352 -0.642 19613 5304 1 16 . 1 1 35 35 ASN H H 35 8.270 8.270 7.939 0.331 19613 5305 1 16 . 1 1 36 36 LEU N N 36 117.960 117.960 119.752 -1.792 19613 5306 1 16 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.274 0.206 19613 5307 1 16 . 1 1 36 36 LEU C C 36 177.990 177.990 178.577 -0.587 19613 5308 1 16 . 1 1 36 36 LEU CA C 36 55.090 55.090 56.035 -0.945 19613 5309 1 16 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.319 0.951 19613 5310 1 16 . 1 1 36 36 LEU H H 36 7.450 7.450 7.925 -0.475 19613 5311 1 16 . 1 1 37 37 GLN N N 37 121.190 121.190 120.957 0.233 19613 5312 1 16 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.935 -0.085 19613 5313 1 16 . 1 1 37 37 GLN C C 37 178.240 178.240 178.066 0.174 19613 5314 1 16 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.242 1.038 19613 5315 1 16 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.232 -0.252 19613 5316 1 16 . 1 1 37 37 GLN H H 37 7.310 7.310 8.337 -1.027 19613 5317 1 16 . 1 1 38 38 LYS N N 38 119.590 119.590 118.175 1.415 19613 5318 1 16 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.117 -0.257 19613 5319 1 16 . 1 1 38 38 LYS C C 38 178.090 178.090 178.432 -0.342 19613 5320 1 16 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.551 0.849 19613 5321 1 16 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.524 -0.824 19613 5322 1 16 . 1 1 38 38 LYS H H 38 8.500 8.500 7.494 1.006 19613 5323 1 16 . 1 1 39 39 GLU N N 39 116.720 116.720 117.350 -0.630 19613 5324 1 16 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.100 -0.180 19613 5325 1 16 . 1 1 39 39 GLU C C 39 176.580 176.580 177.819 -1.239 19613 5326 1 16 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.287 -0.037 19613 5327 1 16 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.273 0.207 19613 5328 1 16 . 1 1 39 39 GLU H H 39 8.290 8.290 7.843 0.447 19613 5329 1 16 . 1 1 40 40 HIS N N 40 112.640 112.640 114.853 -2.213 19613 5330 1 16 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.726 -0.016 19613 5331 1 16 . 1 1 40 40 HIS C C 40 176.970 176.970 175.753 1.217 19613 5332 1 16 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.345 0.285 19613 5333 1 16 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.763 1.207 19613 5334 1 16 . 1 1 40 40 HIS H H 40 7.640 7.640 7.781 -0.141 19613 5335 1 16 . 1 1 41 41 GLY N N 41 108.210 108.210 108.259 -0.049 19613 5336 1 16 . 1 1 41 41 GLY C C 41 174.560 174.560 174.203 0.357 19613 5337 1 16 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.257 1.923 19613 5338 1 16 . 1 1 41 41 GLY H H 41 8.100 8.100 8.118 -0.018 19613 5339 1 16 . 1 1 42 42 LEU N N 42 117.300 117.300 121.570 -4.270 19613 5340 1 16 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.401 -0.091 19613 5341 1 16 . 1 1 42 42 LEU C C 42 177.790 177.790 177.649 0.141 19613 5342 1 16 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.897 -0.487 19613 5343 1 16 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.439 0.381 19613 5344 1 16 . 1 1 42 42 LEU H H 42 6.850 6.850 7.369 -0.519 19613 5345 1 16 . 1 1 43 43 GLY N N 43 109.450 109.450 109.225 0.225 19613 5346 1 16 . 1 1 43 43 GLY C C 43 173.630 173.630 174.661 -1.031 19613 5347 1 16 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.580 -0.240 19613 5348 1 16 . 1 1 43 43 GLY H H 43 8.690 8.690 8.303 0.387 19613 5349 1 16 . 1 1 44 44 LYS N N 44 123.130 123.130 121.622 1.508 19613 5350 1 16 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.230 -0.050 19613 5351 1 16 . 1 1 44 44 LYS C C 44 177.960 177.960 178.542 -0.582 19613 5352 1 16 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.031 1.419 19613 5353 1 16 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.863 -0.913 19613 5354 1 16 . 1 1 44 44 LYS H H 44 8.320 8.320 8.669 -0.349 19613 5355 1 16 . 1 1 45 45 ALA N N 45 119.150 119.150 121.461 -2.311 19613 5356 1 16 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.092 -0.122 19613 5357 1 16 . 1 1 45 45 ALA C C 45 180.320 180.320 179.430 0.890 19613 5358 1 16 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.659 0.321 19613 5359 1 16 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.865 -0.485 19613 5360 1 16 . 1 1 45 45 ALA H H 45 8.360 8.360 8.335 0.025 19613 5361 1 16 . 1 1 46 46 ALA N N 46 120.560 120.560 121.954 -1.394 19613 5362 1 16 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.108 -0.078 19613 5363 1 16 . 1 1 46 46 ALA C C 46 180.760 180.760 180.125 0.635 19613 5364 1 16 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.709 -0.179 19613 5365 1 16 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.208 -0.138 19613 5366 1 16 . 1 1 46 46 ALA H H 46 7.530 7.530 8.172 -0.642 19613 5367 1 16 . 1 1 47 47 VAL N N 47 120.280 120.280 119.018 1.262 19613 5368 1 16 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.523 -0.143 19613 5369 1 16 . 1 1 47 47 VAL C C 47 176.860 176.860 177.971 -1.111 19613 5370 1 16 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.645 0.075 19613 5371 1 16 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.897 -0.477 19613 5372 1 16 . 1 1 47 47 VAL H H 47 7.910 7.910 8.072 -0.162 19613 5373 1 16 . 1 1 48 48 VAL N N 48 119.370 119.370 119.756 -0.386 19613 5374 1 16 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.469 -0.119 19613 5375 1 16 . 1 1 48 48 VAL C C 48 178.200 178.200 177.775 0.425 19613 5376 1 16 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.029 -0.169 19613 5377 1 16 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.357 0.623 19613 5378 1 16 . 1 1 48 48 VAL H H 48 8.240 8.240 8.040 0.200 19613 5379 1 16 . 1 1 49 49 LYS N N 49 117.640 117.640 119.218 -1.578 19613 5380 1 16 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.004 0.076 19613 5381 1 16 . 1 1 49 49 LYS C C 49 178.920 178.920 178.930 -0.010 19613 5382 1 16 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.524 -0.534 19613 5383 1 16 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.173 0.347 19613 5384 1 16 . 1 1 49 49 LYS H H 49 7.830 7.830 8.214 -0.384 19613 5385 1 16 . 1 1 50 50 ALA N N 50 120.810 120.810 122.878 -2.068 19613 5386 1 16 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.110 -0.050 19613 5387 1 16 . 1 1 50 50 ALA C C 50 179.390 179.390 179.613 -0.223 19613 5388 1 16 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.903 -0.103 19613 5389 1 16 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.083 0.917 19613 5390 1 16 . 1 1 50 50 ALA H H 50 7.920 7.920 7.860 0.060 19613 5391 1 16 . 1 1 51 51 LEU N N 51 118.510 118.510 119.140 -0.630 19613 5392 1 16 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.637 -0.077 19613 5393 1 16 . 1 1 51 51 LEU C C 51 177.800 177.800 178.706 -0.906 19613 5394 1 16 . 1 1 51 51 LEU CA C 51 58.210 58.210 57.977 0.233 19613 5395 1 16 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.094 -0.804 19613 5396 1 16 . 1 1 51 51 LEU H H 51 8.210 8.210 8.178 0.032 19613 5397 1 16 . 1 1 52 52 ASP N N 52 116.940 116.940 118.496 -1.556 19613 5398 1 16 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.447 0.073 19613 5399 1 16 . 1 1 52 52 ASP C C 52 178.800 178.800 178.905 -0.105 19613 5400 1 16 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.358 0.043 19613 5401 1 16 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.106 0.804 19613 5402 1 16 . 1 1 52 52 ASP H H 52 7.710 7.710 8.014 -0.304 19613 5403 1 16 . 1 1 53 53 GLN N N 53 120.360 120.360 120.470 -0.110 19613 5404 1 16 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.130 -0.150 19613 5405 1 16 . 1 1 53 53 GLN C C 53 178.310 178.310 178.408 -0.098 19613 5406 1 16 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.432 0.938 19613 5407 1 16 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.355 -0.015 19613 5408 1 16 . 1 1 53 53 GLN H H 53 8.200 8.200 7.926 0.274 19613 5409 1 16 . 1 1 54 54 LEU N N 54 118.990 118.990 119.619 -0.629 19613 5410 1 16 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.021 -0.041 19613 5411 1 16 . 1 1 54 54 LEU C C 54 179.660 179.660 178.941 0.719 19613 5412 1 16 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.763 -0.013 19613 5413 1 16 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.651 1.788 19613 5414 1 16 . 1 1 54 54 LEU H H 54 8.500 8.500 8.377 0.123 19613 5415 1 16 . 1 1 55 55 ALA N N 55 122.270 122.270 120.896 1.374 19613 5416 1 16 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.348 0.022 19613 5417 1 16 . 1 1 55 55 ALA C C 55 181.940 181.940 179.773 2.167 19613 5418 1 16 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.477 0.233 19613 5419 1 16 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.554 -0.964 19613 5420 1 16 . 1 1 55 55 ALA H H 55 8.350 8.350 8.075 0.275 19613 5421 1 16 . 1 1 56 56 GLN N N 56 122.320 122.320 118.443 3.877 19613 5422 1 16 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.117 -0.047 19613 5423 1 16 . 1 1 56 56 GLN C C 56 178.840 178.840 178.188 0.652 19613 5424 1 16 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.072 1.108 19613 5425 1 16 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.689 -0.639 19613 5426 1 16 . 1 1 56 56 GLN H H 56 8.610 8.610 8.065 0.545 19613 5427 1 16 . 1 1 57 57 GLU N N 57 115.890 115.890 116.208 -0.318 19613 5428 1 16 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.245 -0.025 19613 5429 1 16 . 1 1 57 57 GLU C C 57 177.000 177.000 177.094 -0.094 19613 5430 1 16 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.572 0.108 19613 5431 1 16 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.269 0.521 19613 5432 1 16 . 1 1 57 57 GLU H H 57 8.060 8.060 7.853 0.207 19613 5433 1 16 . 1 1 58 58 GLY N N 58 107.440 107.440 106.426 1.014 19613 5434 1 16 . 1 1 58 58 GLY C C 58 174.340 174.340 175.282 -0.942 19613 5435 1 16 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.478 0.102 19613 5436 1 16 . 1 1 58 58 GLY H H 58 7.920 7.920 7.903 0.017 19613 5437 1 16 . 1 1 59 59 LYS N N 59 118.190 118.190 118.958 -0.768 19613 5438 1 16 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.375 -0.215 19613 5439 1 16 . 1 1 59 59 LYS C C 59 176.150 176.150 176.491 -0.341 19613 5440 1 16 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.993 0.797 19613 5441 1 16 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.322 0.858 19613 5442 1 16 . 1 1 59 59 LYS H H 59 8.170 8.170 8.591 -0.421 19613 5443 1 16 . 1 1 60 60 ILE N N 60 107.860 107.860 112.684 -4.824 19613 5444 1 16 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.612 -0.042 19613 5445 1 16 . 1 1 60 60 ILE C C 60 172.900 172.900 174.173 -1.273 19613 5446 1 16 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.238 -0.698 19613 5447 1 16 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.974 -1.064 19613 5448 1 16 . 1 1 60 60 ILE H H 60 7.140 7.140 7.263 -0.123 19613 5449 1 16 . 1 1 61 61 LYS N N 61 119.750 119.750 120.589 -0.839 19613 5450 1 16 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.551 -0.141 19613 5451 1 16 . 1 1 61 61 LYS C C 61 173.930 173.930 174.633 -0.703 19613 5452 1 16 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.704 -0.444 19613 5453 1 16 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.117 -0.447 19613 5454 1 16 . 1 1 61 61 LYS H H 61 8.670 8.670 8.275 0.395 19613 5455 1 16 . 1 1 62 62 GLU N N 62 117.580 117.580 123.237 -5.657 19613 5456 1 16 . 1 1 62 62 GLU HA H 62 5.140 5.140 4.677 0.463 19613 5457 1 16 . 1 1 62 62 GLU C C 62 175.630 175.630 175.692 -0.062 19613 5458 1 16 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.652 -1.072 19613 5459 1 16 . 1 1 62 62 GLU CB C 62 33.910 33.910 31.707 2.203 19613 5460 1 16 . 1 1 62 62 GLU H H 62 8.130 8.130 8.482 -0.352 19613 5461 1 16 . 1 1 63 63 LYS N N 63 122.890 122.890 125.711 -2.821 19613 5462 1 16 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.738 -0.188 19613 5463 1 16 . 1 1 63 63 LYS C C 63 174.510 174.510 175.096 -0.586 19613 5464 1 16 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.581 0.429 19613 5465 1 16 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.664 -0.384 19613 5466 1 16 . 1 1 63 63 LYS H H 63 8.880 8.880 8.856 0.024 19613 5467 1 16 . 1 1 64 64 THR N N 64 117.560 117.560 117.451 0.109 19613 5468 1 16 . 1 1 64 64 THR HA H 64 4.760 4.760 4.654 0.106 19613 5469 1 16 . 1 1 64 64 THR C C 64 173.870 173.870 173.499 0.371 19613 5470 1 16 . 1 1 64 64 THR CA C 64 62.120 62.120 62.170 -0.050 19613 5471 1 16 . 1 1 64 64 THR CB C 64 69.740 69.740 69.560 0.180 19613 5472 1 16 . 1 1 64 64 THR H H 64 8.410 8.410 8.454 -0.044 19613 5473 1 16 . 1 1 65 65 TYR N N 65 127.630 127.630 129.371 -1.741 19613 5474 1 16 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.530 0.180 19613 5475 1 16 . 1 1 65 65 TYR C C 65 175.780 175.780 175.239 0.541 19613 5476 1 16 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.068 -0.538 19613 5477 1 16 . 1 1 65 65 TYR CB C 65 39.220 39.220 39.504 -0.284 19613 5478 1 16 . 1 1 65 65 TYR H H 65 8.770 8.770 8.898 -0.128 19613 5479 1 16 . 1 1 67 67 LYS N N 67 120.220 120.220 123.641 -3.421 19613 5480 1 16 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.443 -0.243 19613 5481 1 16 . 1 1 67 67 LYS C C 67 175.890 175.890 176.399 -0.509 19613 5482 1 16 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.132 0.168 19613 5483 1 16 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.291 -1.111 19613 5484 1 16 . 1 1 67 67 LYS H H 67 8.110 8.110 8.474 -0.364 19613 5485 1 16 . 1 1 68 68 GLN N N 68 119.090 119.090 119.401 -0.311 19613 5486 1 16 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.759 -0.079 19613 5487 1 16 . 1 1 68 68 GLN C C 68 174.080 174.080 174.557 -0.477 19613 5488 1 16 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.308 0.492 19613 5489 1 16 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.357 0.233 19613 5490 1 16 . 1 1 68 68 GLN H H 68 7.920 7.920 7.562 0.358 19613 5491 1 16 . 1 1 69 69 LYS N N 69 123.400 123.400 120.170 3.230 19613 5492 1 16 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.062 -0.323 19613 5493 1 16 . 1 1 69 69 LYS C C 69 175.820 175.820 175.683 0.137 19613 5494 1 16 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.318 0.772 19613 5495 1 16 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.127 -1.216 19613 5496 1 16 . 1 1 69 69 LYS H H 69 8.370 8.370 8.483 -0.113 19613 5497 1 16 . 1 1 70 70 ILE N N 70 120.640 120.640 120.659 -0.019 19613 5498 1 16 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.649 -0.089 19613 5499 1 16 . 1 1 70 70 ILE C C 70 173.330 173.330 174.378 -1.048 19613 5500 1 16 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.429 -1.379 19613 5501 1 16 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.803 -0.123 19613 5502 1 16 . 1 1 70 70 ILE H H 70 8.780 8.780 8.728 0.052 19613 5503 1 16 . 1 1 71 71 TYR N N 71 120.200 120.200 125.269 -5.069 19613 5504 1 16 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.766 -0.176 19613 5505 1 16 . 1 1 71 71 TYR C C 71 175.840 175.840 175.338 0.502 19613 5506 1 16 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.845 0.965 19613 5507 1 16 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.835 0.685 19613 5508 1 16 . 1 1 71 71 TYR H H 71 8.810 8.810 9.276 -0.466 19613 5509 1 16 . 1 1 72 72 PHE N N 72 113.950 113.950 116.970 -3.020 19613 5510 1 16 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.184 -0.184 19613 5511 1 16 . 1 1 72 72 PHE C C 72 172.950 172.950 173.366 -0.416 19613 5512 1 16 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.035 -0.325 19613 5513 1 16 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.247 -2.197 19613 5514 1 16 . 1 1 72 72 PHE H H 72 8.470 8.470 8.413 0.057 19613 5515 1 16 . 1 1 73 73 ALA N N 73 123.890 123.890 124.200 -0.310 19613 5516 1 16 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.520 0.020 19613 5517 1 16 . 1 1 73 73 ALA C C 73 176.090 176.090 176.791 -0.701 19613 5518 1 16 . 1 1 73 73 ALA CA C 73 51.470 51.470 50.674 0.796 19613 5519 1 16 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.567 0.413 19613 5520 1 16 . 1 1 73 73 ALA H H 73 8.850 8.850 8.796 0.054 19613 5521 1 17 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.161 -0.201 19613 5522 1 17 . 1 1 13 13 PRO C C 13 177.740 177.740 179.050 -1.310 19613 5523 1 17 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.169 0.811 19613 5524 1 17 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.974 -0.554 19613 5525 1 17 . 1 1 14 14 GLY N N 14 103.910 103.910 105.620 -1.710 19613 5526 1 17 . 1 1 14 14 GLY C C 14 176.450 176.450 176.552 -0.102 19613 5527 1 17 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.728 0.472 19613 5528 1 17 . 1 1 14 14 GLY H H 14 7.620 7.620 8.372 -0.752 19613 5529 1 17 . 1 1 15 15 ILE N N 15 122.900 122.900 123.422 -0.522 19613 5530 1 17 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.535 -0.065 19613 5531 1 17 . 1 1 15 15 ILE C C 15 178.810 178.810 177.876 0.934 19613 5532 1 17 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.361 -0.620 19613 5533 1 17 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.749 1.030 19613 5534 1 17 . 1 1 15 15 ILE H H 15 7.660 7.660 7.673 -0.013 19613 5535 1 17 . 1 1 16 16 ILE N N 16 120.300 120.300 119.919 0.381 19613 5536 1 17 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.732 -0.402 19613 5537 1 17 . 1 1 16 16 ILE C C 16 176.680 176.680 178.042 -1.362 19613 5538 1 17 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.439 0.010 19613 5539 1 17 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.912 -0.042 19613 5540 1 17 . 1 1 16 16 ILE H H 16 8.130 8.130 8.370 -0.240 19613 5541 1 17 . 1 1 17 17 LEU N N 17 120.680 120.680 121.110 -0.430 19613 5542 1 17 . 1 1 17 17 LEU HA H 17 3.860 3.860 4.022 -0.162 19613 5543 1 17 . 1 1 17 17 LEU C C 17 177.830 177.830 178.461 -0.631 19613 5544 1 17 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.395 0.165 19613 5545 1 17 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.622 0.018 19613 5546 1 17 . 1 1 17 17 LEU H H 17 8.560 8.560 8.270 0.290 19613 5547 1 17 . 1 1 18 18 ARG N N 18 116.160 116.160 119.028 -2.868 19613 5548 1 17 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.951 0.129 19613 5549 1 17 . 1 1 18 18 ARG C C 18 178.250 178.250 178.241 0.009 19613 5550 1 17 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.650 -0.330 19613 5551 1 17 . 1 1 18 18 ARG CB C 18 29.590 29.590 30.088 -0.498 19613 5552 1 17 . 1 1 18 18 ARG H H 18 7.580 7.580 8.081 -0.501 19613 5553 1 17 . 1 1 19 19 TYR N N 19 119.280 119.280 121.344 -2.064 19613 5554 1 17 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.208 0.142 19613 5555 1 17 . 1 1 19 19 TYR C C 19 177.480 177.480 177.838 -0.358 19613 5556 1 17 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.594 -0.034 19613 5557 1 17 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.334 0.066 19613 5558 1 17 . 1 1 19 19 TYR H H 19 7.820 7.820 8.255 -0.435 19613 5559 1 17 . 1 1 20 20 LEU N N 20 117.650 117.650 118.295 -0.645 19613 5560 1 17 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.959 -0.039 19613 5561 1 17 . 1 1 20 20 LEU C C 20 181.270 181.270 179.557 1.713 19613 5562 1 17 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.094 1.256 19613 5563 1 17 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.723 -0.093 19613 5564 1 17 . 1 1 20 20 LEU H H 20 8.610 8.610 8.689 -0.079 19613 5565 1 17 . 1 1 21 21 GLN N N 21 119.530 119.530 119.643 -0.113 19613 5566 1 17 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.127 -0.207 19613 5567 1 17 . 1 1 21 21 GLN C C 21 177.950 177.950 177.987 -0.037 19613 5568 1 17 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.328 0.512 19613 5569 1 17 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.503 -0.103 19613 5570 1 17 . 1 1 21 21 GLN H H 21 8.630 8.630 8.246 0.384 19613 5571 1 17 . 1 1 22 22 GLU N N 22 118.500 118.500 118.863 -0.363 19613 5572 1 17 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.113 -0.103 19613 5573 1 17 . 1 1 22 22 GLU C C 22 178.790 178.790 178.482 0.308 19613 5574 1 17 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.273 0.357 19613 5575 1 17 . 1 1 22 22 GLU CB C 22 29.870 29.870 30.016 -0.146 19613 5576 1 17 . 1 1 22 22 GLU H H 22 8.260 8.260 8.209 0.051 19613 5577 1 17 . 1 1 23 23 GLN N N 23 115.130 115.130 116.876 -1.746 19613 5578 1 17 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.263 -0.293 19613 5579 1 17 . 1 1 23 23 GLN C C 23 177.150 177.150 176.666 0.484 19613 5580 1 17 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.160 0.340 19613 5581 1 17 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.110 1.240 19613 5582 1 17 . 1 1 23 23 GLN H H 23 8.110 8.110 7.730 0.380 19613 5583 1 17 . 1 1 24 24 ASN N N 24 113.770 113.770 115.769 -1.999 19613 5584 1 17 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.384 0.166 19613 5585 1 17 . 1 1 24 24 ASN C C 24 173.280 173.280 173.892 -0.612 19613 5586 1 17 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.134 -0.274 19613 5587 1 17 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.619 0.221 19613 5588 1 17 . 1 1 24 24 ASN H H 24 8.000 8.000 8.175 -0.175 19613 5589 1 17 . 1 1 25 25 ARG N N 25 113.220 113.220 116.869 -3.649 19613 5590 1 17 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.685 0.045 19613 5591 1 17 . 1 1 25 25 ARG C C 25 172.740 172.740 173.488 -0.748 19613 5592 1 17 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.551 0.839 19613 5593 1 17 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.142 -0.642 19613 5594 1 17 . 1 1 25 25 ARG H H 25 7.100 7.100 7.705 -0.605 19613 5595 1 17 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.906 0.394 19613 5596 1 17 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.360 -1.030 19613 5597 1 17 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.181 0.509 19613 5598 1 17 . 1 1 27 27 TYR N N 27 118.560 118.560 122.645 -4.085 19613 5599 1 17 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.775 0.385 19613 5600 1 17 . 1 1 27 27 TYR C C 27 175.960 175.960 175.793 0.167 19613 5601 1 17 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.938 0.682 19613 5602 1 17 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.773 3.057 19613 5603 1 17 . 1 1 27 27 TYR H H 27 9.040 9.040 9.101 -0.061 19613 5604 1 17 . 1 1 28 28 SER N N 28 117.540 117.540 118.092 -0.552 19613 5605 1 17 . 1 1 28 28 SER HA H 28 5.290 5.290 5.070 0.220 19613 5606 1 17 . 1 1 28 28 SER C C 28 175.120 175.120 176.109 -0.989 19613 5607 1 17 . 1 1 28 28 SER CA C 28 56.790 56.790 58.132 -1.341 19613 5608 1 17 . 1 1 28 28 SER CB C 28 65.290 65.290 64.995 0.295 19613 5609 1 17 . 1 1 28 28 SER H H 28 9.590 9.590 8.846 0.744 19613 5610 1 17 . 1 1 29 29 ALA N N 29 122.480 122.480 124.613 -2.133 19613 5611 1 17 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.036 -0.146 19613 5612 1 17 . 1 1 29 29 ALA C C 29 179.570 179.570 179.901 -0.331 19613 5613 1 17 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.861 -0.171 19613 5614 1 17 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.642 0.298 19613 5615 1 17 . 1 1 29 29 ALA H H 29 9.830 9.830 8.724 1.106 19613 5616 1 17 . 1 1 30 30 GLN N N 30 116.680 116.680 117.604 -0.924 19613 5617 1 17 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.150 -0.150 19613 5618 1 17 . 1 1 30 30 GLN C C 30 178.110 178.110 178.502 -0.392 19613 5619 1 17 . 1 1 30 30 GLN CA C 30 59.020 59.020 59.078 -0.058 19613 5620 1 17 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.600 -0.690 19613 5621 1 17 . 1 1 30 30 GLN H H 30 8.580 8.580 8.450 0.130 19613 5622 1 17 . 1 1 31 31 ASP N N 31 120.540 120.540 121.250 -0.710 19613 5623 1 17 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.534 0.036 19613 5624 1 17 . 1 1 31 31 ASP C C 31 178.000 178.000 178.963 -0.963 19613 5625 1 17 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.270 -0.200 19613 5626 1 17 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.799 0.211 19613 5627 1 17 . 1 1 31 31 ASP H H 31 7.950 7.950 8.047 -0.097 19613 5628 1 17 . 1 1 32 32 VAL N N 32 120.050 120.050 120.140 -0.090 19613 5629 1 17 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.351 -0.241 19613 5630 1 17 . 1 1 32 32 VAL C C 32 176.700 176.700 177.566 -0.866 19613 5631 1 17 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.266 1.414 19613 5632 1 17 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.832 -0.822 19613 5633 1 17 . 1 1 32 32 VAL H H 32 8.220 8.220 8.493 -0.273 19613 5634 1 17 . 1 1 33 33 PHE N N 33 116.980 116.980 121.147 -4.167 19613 5635 1 17 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.097 0.033 19613 5636 1 17 . 1 1 33 33 PHE C C 33 177.340 177.340 177.153 0.187 19613 5637 1 17 . 1 1 33 33 PHE CA C 33 60.180 60.180 61.106 -0.926 19613 5638 1 17 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.667 -0.247 19613 5639 1 17 . 1 1 33 33 PHE H H 33 8.290 8.290 8.143 0.147 19613 5640 1 17 . 1 1 34 34 GLY N N 34 105.970 105.970 105.891 0.079 19613 5641 1 17 . 1 1 34 34 GLY C C 34 176.440 176.440 176.052 0.388 19613 5642 1 17 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.198 -0.438 19613 5643 1 17 . 1 1 34 34 GLY H H 34 8.560 8.560 8.575 -0.015 19613 5644 1 17 . 1 1 35 35 ASN N N 35 119.330 119.330 119.816 -0.486 19613 5645 1 17 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.516 -0.016 19613 5646 1 17 . 1 1 35 35 ASN C C 35 177.080 177.080 177.169 -0.089 19613 5647 1 17 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.063 -0.483 19613 5648 1 17 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.529 -0.819 19613 5649 1 17 . 1 1 35 35 ASN H H 35 8.270 8.270 7.751 0.519 19613 5650 1 17 . 1 1 36 36 LEU N N 36 117.960 117.960 119.684 -1.724 19613 5651 1 17 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.308 0.172 19613 5652 1 17 . 1 1 36 36 LEU C C 36 177.990 177.990 178.228 -0.238 19613 5653 1 17 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.727 -0.638 19613 5654 1 17 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.132 1.139 19613 5655 1 17 . 1 1 36 36 LEU H H 36 7.450 7.450 7.794 -0.344 19613 5656 1 17 . 1 1 37 37 GLN N N 37 121.190 121.190 120.801 0.389 19613 5657 1 17 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.008 -0.158 19613 5658 1 17 . 1 1 37 37 GLN C C 37 178.240 178.240 177.680 0.560 19613 5659 1 17 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.443 0.837 19613 5660 1 17 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.291 -0.311 19613 5661 1 17 . 1 1 37 37 GLN H H 37 7.310 7.310 8.064 -0.754 19613 5662 1 17 . 1 1 38 38 LYS N N 38 119.590 119.590 117.283 2.307 19613 5663 1 17 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.124 -0.264 19613 5664 1 17 . 1 1 38 38 LYS C C 38 178.090 178.090 177.871 0.219 19613 5665 1 17 . 1 1 38 38 LYS CA C 38 59.400 59.400 57.889 1.510 19613 5666 1 17 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.286 -0.586 19613 5667 1 17 . 1 1 38 38 LYS H H 38 8.500 8.500 7.666 0.834 19613 5668 1 17 . 1 1 39 39 GLU N N 39 116.720 116.720 118.626 -1.906 19613 5669 1 17 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.108 -0.188 19613 5670 1 17 . 1 1 39 39 GLU C C 39 176.580 176.580 177.546 -0.966 19613 5671 1 17 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.398 -0.147 19613 5672 1 17 . 1 1 39 39 GLU CB C 39 30.480 30.480 29.901 0.579 19613 5673 1 17 . 1 1 39 39 GLU H H 39 8.290 8.290 7.883 0.407 19613 5674 1 17 . 1 1 40 40 HIS N N 40 112.640 112.640 114.093 -1.453 19613 5675 1 17 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.772 -0.062 19613 5676 1 17 . 1 1 40 40 HIS C C 40 176.970 176.970 175.433 1.537 19613 5677 1 17 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.374 0.256 19613 5678 1 17 . 1 1 40 40 HIS CB C 40 32.970 32.970 32.187 0.783 19613 5679 1 17 . 1 1 40 40 HIS H H 40 7.640 7.640 7.481 0.159 19613 5680 1 17 . 1 1 41 41 GLY N N 41 108.210 108.210 108.169 0.041 19613 5681 1 17 . 1 1 41 41 GLY C C 41 174.560 174.560 174.069 0.491 19613 5682 1 17 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.098 2.082 19613 5683 1 17 . 1 1 41 41 GLY H H 41 8.100 8.100 8.156 -0.056 19613 5684 1 17 . 1 1 42 42 LEU N N 42 117.300 117.300 121.654 -4.354 19613 5685 1 17 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.425 -0.115 19613 5686 1 17 . 1 1 42 42 LEU C C 42 177.790 177.790 177.335 0.455 19613 5687 1 17 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.987 -0.577 19613 5688 1 17 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.413 0.407 19613 5689 1 17 . 1 1 42 42 LEU H H 42 6.850 6.850 7.746 -0.896 19613 5690 1 17 . 1 1 43 43 GLY N N 43 109.450 109.450 109.801 -0.351 19613 5691 1 17 . 1 1 43 43 GLY C C 43 173.630 173.630 174.987 -1.357 19613 5692 1 17 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.348 -0.008 19613 5693 1 17 . 1 1 43 43 GLY H H 43 8.690 8.690 8.380 0.310 19613 5694 1 17 . 1 1 44 44 LYS N N 44 123.130 123.130 120.486 2.644 19613 5695 1 17 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.464 -0.284 19613 5696 1 17 . 1 1 44 44 LYS C C 44 177.960 177.960 178.994 -1.034 19613 5697 1 17 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.664 0.785 19613 5698 1 17 . 1 1 44 44 LYS CB C 44 30.950 30.950 32.028 -1.078 19613 5699 1 17 . 1 1 44 44 LYS H H 44 8.320 8.320 8.615 -0.295 19613 5700 1 17 . 1 1 45 45 ALA N N 45 119.150 119.150 122.111 -2.961 19613 5701 1 17 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.118 -0.148 19613 5702 1 17 . 1 1 45 45 ALA C C 45 180.320 180.320 179.599 0.721 19613 5703 1 17 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.754 0.226 19613 5704 1 17 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.931 -0.551 19613 5705 1 17 . 1 1 45 45 ALA H H 45 8.360 8.360 8.257 0.103 19613 5706 1 17 . 1 1 46 46 ALA N N 46 120.560 120.560 121.884 -1.324 19613 5707 1 17 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.108 -0.078 19613 5708 1 17 . 1 1 46 46 ALA C C 46 180.760 180.760 180.164 0.596 19613 5709 1 17 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.739 -0.208 19613 5710 1 17 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.206 -0.136 19613 5711 1 17 . 1 1 46 46 ALA H H 46 7.530 7.530 8.285 -0.755 19613 5712 1 17 . 1 1 47 47 VAL N N 47 120.280 120.280 118.919 1.361 19613 5713 1 17 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.531 -0.151 19613 5714 1 17 . 1 1 47 47 VAL C C 47 176.860 176.860 177.953 -1.093 19613 5715 1 17 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.641 0.079 19613 5716 1 17 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.910 -0.490 19613 5717 1 17 . 1 1 47 47 VAL H H 47 7.910 7.910 7.989 -0.079 19613 5718 1 17 . 1 1 48 48 VAL N N 48 119.370 119.370 119.698 -0.328 19613 5719 1 17 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.453 -0.103 19613 5720 1 17 . 1 1 48 48 VAL C C 48 178.200 178.200 177.813 0.387 19613 5721 1 17 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.019 -0.159 19613 5722 1 17 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.366 0.614 19613 5723 1 17 . 1 1 48 48 VAL H H 48 8.240 8.240 7.935 0.305 19613 5724 1 17 . 1 1 49 49 LYS N N 49 117.640 117.640 119.237 -1.597 19613 5725 1 17 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.013 0.067 19613 5726 1 17 . 1 1 49 49 LYS C C 49 178.920 178.920 178.935 -0.015 19613 5727 1 17 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.531 -0.541 19613 5728 1 17 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.189 0.331 19613 5729 1 17 . 1 1 49 49 LYS H H 49 7.830 7.830 8.207 -0.377 19613 5730 1 17 . 1 1 50 50 ALA N N 50 120.810 120.810 122.866 -2.056 19613 5731 1 17 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.112 -0.052 19613 5732 1 17 . 1 1 50 50 ALA C C 50 179.390 179.390 179.650 -0.260 19613 5733 1 17 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.920 -0.120 19613 5734 1 17 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.088 0.912 19613 5735 1 17 . 1 1 50 50 ALA H H 50 7.920 7.920 7.812 0.108 19613 5736 1 17 . 1 1 51 51 LEU N N 51 118.510 118.510 119.105 -0.595 19613 5737 1 17 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.718 -0.158 19613 5738 1 17 . 1 1 51 51 LEU C C 51 177.800 177.800 178.783 -0.983 19613 5739 1 17 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.048 0.162 19613 5740 1 17 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.164 -0.874 19613 5741 1 17 . 1 1 51 51 LEU H H 51 8.210 8.210 8.167 0.043 19613 5742 1 17 . 1 1 52 52 ASP N N 52 116.940 116.940 118.664 -1.724 19613 5743 1 17 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.439 0.081 19613 5744 1 17 . 1 1 52 52 ASP C C 52 178.800 178.800 178.904 -0.104 19613 5745 1 17 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.402 -0.002 19613 5746 1 17 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.094 0.816 19613 5747 1 17 . 1 1 52 52 ASP H H 52 7.710 7.710 8.072 -0.362 19613 5748 1 17 . 1 1 53 53 GLN N N 53 120.360 120.360 120.434 -0.074 19613 5749 1 17 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.135 -0.155 19613 5750 1 17 . 1 1 53 53 GLN C C 53 178.310 178.310 178.422 -0.112 19613 5751 1 17 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.427 0.943 19613 5752 1 17 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.371 -0.031 19613 5753 1 17 . 1 1 53 53 GLN H H 53 8.200 8.200 7.922 0.278 19613 5754 1 17 . 1 1 54 54 LEU N N 54 118.990 118.990 119.657 -0.667 19613 5755 1 17 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.032 -0.052 19613 5756 1 17 . 1 1 54 54 LEU C C 54 179.660 179.660 178.964 0.696 19613 5757 1 17 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.770 -0.020 19613 5758 1 17 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.678 1.762 19613 5759 1 17 . 1 1 54 54 LEU H H 54 8.500 8.500 8.396 0.104 19613 5760 1 17 . 1 1 55 55 ALA N N 55 122.270 122.270 120.900 1.370 19613 5761 1 17 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.362 0.008 19613 5762 1 17 . 1 1 55 55 ALA C C 55 181.940 181.940 179.765 2.175 19613 5763 1 17 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.444 0.266 19613 5764 1 17 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.526 -0.936 19613 5765 1 17 . 1 1 55 55 ALA H H 55 8.350 8.350 8.102 0.248 19613 5766 1 17 . 1 1 56 56 GLN N N 56 122.320 122.320 118.481 3.839 19613 5767 1 17 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.105 -0.035 19613 5768 1 17 . 1 1 56 56 GLN C C 56 178.840 178.840 178.192 0.648 19613 5769 1 17 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.084 1.096 19613 5770 1 17 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.670 -0.620 19613 5771 1 17 . 1 1 56 56 GLN H H 56 8.610 8.610 8.104 0.506 19613 5772 1 17 . 1 1 57 57 GLU N N 57 115.890 115.890 116.197 -0.307 19613 5773 1 17 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.244 -0.024 19613 5774 1 17 . 1 1 57 57 GLU C C 57 177.000 177.000 177.093 -0.093 19613 5775 1 17 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.575 0.105 19613 5776 1 17 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.256 0.534 19613 5777 1 17 . 1 1 57 57 GLU H H 57 8.060 8.060 7.836 0.224 19613 5778 1 17 . 1 1 58 58 GLY N N 58 107.440 107.440 106.384 1.056 19613 5779 1 17 . 1 1 58 58 GLY C C 58 174.340 174.340 175.221 -0.881 19613 5780 1 17 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.460 0.120 19613 5781 1 17 . 1 1 58 58 GLY H H 58 7.920 7.920 7.917 0.003 19613 5782 1 17 . 1 1 59 59 LYS N N 59 118.190 118.190 118.292 -0.102 19613 5783 1 17 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.376 -0.216 19613 5784 1 17 . 1 1 59 59 LYS C C 59 176.150 176.150 176.143 0.007 19613 5785 1 17 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.972 0.818 19613 5786 1 17 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.493 0.687 19613 5787 1 17 . 1 1 59 59 LYS H H 59 8.170 8.170 8.500 -0.330 19613 5788 1 17 . 1 1 60 60 ILE N N 60 107.860 107.860 113.006 -5.146 19613 5789 1 17 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.880 -0.310 19613 5790 1 17 . 1 1 60 60 ILE C C 60 172.900 172.900 174.364 -1.464 19613 5791 1 17 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.126 -0.586 19613 5792 1 17 . 1 1 60 60 ILE CB C 60 40.910 40.910 42.032 -1.122 19613 5793 1 17 . 1 1 60 60 ILE H H 60 7.140 7.140 7.308 -0.168 19613 5794 1 17 . 1 1 61 61 LYS N N 61 119.750 119.750 119.859 -0.109 19613 5795 1 17 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.627 -0.217 19613 5796 1 17 . 1 1 61 61 LYS C C 61 173.930 173.930 174.104 -0.174 19613 5797 1 17 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.146 0.114 19613 5798 1 17 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.927 -1.257 19613 5799 1 17 . 1 1 61 61 LYS H H 61 8.670 8.670 8.650 0.020 19613 5800 1 17 . 1 1 62 62 GLU N N 62 117.580 117.580 119.177 -1.597 19613 5801 1 17 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.252 -0.112 19613 5802 1 17 . 1 1 62 62 GLU C C 62 175.630 175.630 175.544 0.086 19613 5803 1 17 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.215 -0.635 19613 5804 1 17 . 1 1 62 62 GLU CB C 62 33.910 33.910 33.059 0.851 19613 5805 1 17 . 1 1 62 62 GLU H H 62 8.130 8.130 8.236 -0.106 19613 5806 1 17 . 1 1 63 63 LYS N N 63 122.890 122.890 123.187 -0.297 19613 5807 1 17 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.657 -0.107 19613 5808 1 17 . 1 1 63 63 LYS C C 63 174.510 174.510 175.384 -0.874 19613 5809 1 17 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.986 0.024 19613 5810 1 17 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.194 0.086 19613 5811 1 17 . 1 1 63 63 LYS H H 63 8.880 8.880 8.923 -0.043 19613 5812 1 17 . 1 1 64 64 THR N N 64 117.560 117.560 119.565 -2.005 19613 5813 1 17 . 1 1 64 64 THR HA H 64 4.760 4.760 4.518 0.242 19613 5814 1 17 . 1 1 64 64 THR C C 64 173.870 173.870 173.934 -0.064 19613 5815 1 17 . 1 1 64 64 THR CA C 64 62.120 62.120 62.400 -0.280 19613 5816 1 17 . 1 1 64 64 THR CB C 64 69.740 69.740 69.287 0.453 19613 5817 1 17 . 1 1 64 64 THR H H 64 8.410 8.410 8.448 -0.038 19613 5818 1 17 . 1 1 65 65 TYR N N 65 127.630 127.630 128.696 -1.066 19613 5819 1 17 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.586 0.124 19613 5820 1 17 . 1 1 65 65 TYR C C 65 175.780 175.780 176.047 -0.267 19613 5821 1 17 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.899 -0.369 19613 5822 1 17 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.489 1.731 19613 5823 1 17 . 1 1 65 65 TYR H H 65 8.770 8.770 8.718 0.052 19613 5824 1 17 . 1 1 67 67 LYS N N 67 120.220 120.220 124.828 -4.608 19613 5825 1 17 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.423 -0.223 19613 5826 1 17 . 1 1 67 67 LYS C C 67 175.890 175.890 175.625 0.265 19613 5827 1 17 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.023 0.277 19613 5828 1 17 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.245 -1.065 19613 5829 1 17 . 1 1 67 67 LYS H H 67 8.110 8.110 8.603 -0.493 19613 5830 1 17 . 1 1 68 68 GLN N N 68 119.090 119.090 120.761 -1.671 19613 5831 1 17 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.568 0.112 19613 5832 1 17 . 1 1 68 68 GLN C C 68 174.080 174.080 174.605 -0.525 19613 5833 1 17 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.882 -0.082 19613 5834 1 17 . 1 1 68 68 GLN CB C 68 31.590 31.590 30.764 0.826 19613 5835 1 17 . 1 1 68 68 GLN H H 68 7.920 7.920 7.685 0.235 19613 5836 1 17 . 1 1 69 69 LYS N N 69 123.400 123.400 126.580 -3.180 19613 5837 1 17 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.723 0.017 19613 5838 1 17 . 1 1 69 69 LYS C C 69 175.820 175.820 175.363 0.457 19613 5839 1 17 . 1 1 69 69 LYS CA C 69 56.090 56.090 56.178 -0.088 19613 5840 1 17 . 1 1 69 69 LYS CB C 69 33.910 33.910 33.578 0.332 19613 5841 1 17 . 1 1 69 69 LYS H H 69 8.370 8.370 8.882 -0.512 19613 5842 1 17 . 1 1 70 70 ILE N N 70 120.640 120.640 124.017 -3.377 19613 5843 1 17 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.633 -0.073 19613 5844 1 17 . 1 1 70 70 ILE C C 70 173.330 173.330 175.019 -1.689 19613 5845 1 17 . 1 1 70 70 ILE CA C 70 59.050 59.050 58.740 0.310 19613 5846 1 17 . 1 1 70 70 ILE CB C 70 40.680 40.680 38.177 2.503 19613 5847 1 17 . 1 1 70 70 ILE H H 70 8.780 8.780 8.719 0.061 19613 5848 1 17 . 1 1 71 71 TYR N N 71 120.200 120.200 126.576 -6.376 19613 5849 1 17 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.597 -0.007 19613 5850 1 17 . 1 1 71 71 TYR C C 71 175.840 175.840 175.279 0.561 19613 5851 1 17 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.992 0.818 19613 5852 1 17 . 1 1 71 71 TYR CB C 71 42.520 42.520 42.059 0.461 19613 5853 1 17 . 1 1 71 71 TYR H H 71 8.810 8.810 9.366 -0.556 19613 5854 1 17 . 1 1 72 72 PHE N N 72 113.950 113.950 116.892 -2.942 19613 5855 1 17 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.201 -0.201 19613 5856 1 17 . 1 1 72 72 PHE C C 72 172.950 172.950 173.561 -0.611 19613 5857 1 17 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.763 -0.053 19613 5858 1 17 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.123 -2.073 19613 5859 1 17 . 1 1 72 72 PHE H H 72 8.470 8.470 8.724 -0.254 19613 5860 1 17 . 1 1 73 73 ALA N N 73 123.890 123.890 124.056 -0.166 19613 5861 1 17 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.244 0.296 19613 5862 1 17 . 1 1 73 73 ALA C C 73 176.090 176.090 176.862 -0.772 19613 5863 1 17 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.443 -0.973 19613 5864 1 17 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.407 0.573 19613 5865 1 17 . 1 1 73 73 ALA H H 73 8.850 8.850 8.854 -0.004 19613 5866 1 18 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.173 -0.213 19613 5867 1 18 . 1 1 13 13 PRO C C 13 177.740 177.740 179.048 -1.308 19613 5868 1 18 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.127 0.853 19613 5869 1 18 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.988 -0.569 19613 5870 1 18 . 1 1 14 14 GLY N N 14 103.910 103.910 105.764 -1.854 19613 5871 1 18 . 1 1 14 14 GLY C C 14 176.450 176.450 176.542 -0.092 19613 5872 1 18 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.755 0.445 19613 5873 1 18 . 1 1 14 14 GLY H H 14 7.620 7.620 8.441 -0.821 19613 5874 1 18 . 1 1 15 15 ILE N N 15 122.900 122.900 123.380 -0.480 19613 5875 1 18 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.562 -0.092 19613 5876 1 18 . 1 1 15 15 ILE C C 15 178.810 178.810 177.971 0.839 19613 5877 1 18 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.313 -0.573 19613 5878 1 18 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.823 0.957 19613 5879 1 18 . 1 1 15 15 ILE H H 15 7.660 7.660 7.695 -0.035 19613 5880 1 18 . 1 1 16 16 ILE N N 16 120.300 120.300 119.967 0.333 19613 5881 1 18 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.675 -0.345 19613 5882 1 18 . 1 1 16 16 ILE C C 16 176.680 176.680 178.037 -1.357 19613 5883 1 18 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.500 -0.050 19613 5884 1 18 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.854 0.016 19613 5885 1 18 . 1 1 16 16 ILE H H 16 8.130 8.130 8.341 -0.211 19613 5886 1 18 . 1 1 17 17 LEU N N 17 120.680 120.680 121.166 -0.486 19613 5887 1 18 . 1 1 17 17 LEU HA H 17 3.860 3.860 4.027 -0.167 19613 5888 1 18 . 1 1 17 17 LEU C C 17 177.830 177.830 178.634 -0.804 19613 5889 1 18 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.448 0.112 19613 5890 1 18 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.620 0.020 19613 5891 1 18 . 1 1 17 17 LEU H H 17 8.560 8.560 8.157 0.403 19613 5892 1 18 . 1 1 18 18 ARG N N 18 116.160 116.160 119.166 -3.006 19613 5893 1 18 . 1 1 18 18 ARG HA H 18 4.080 4.080 4.022 0.058 19613 5894 1 18 . 1 1 18 18 ARG C C 18 178.250 178.250 178.211 0.039 19613 5895 1 18 . 1 1 18 18 ARG CA C 18 59.320 59.320 58.304 1.016 19613 5896 1 18 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.510 0.080 19613 5897 1 18 . 1 1 18 18 ARG H H 18 7.580 7.580 7.990 -0.410 19613 5898 1 18 . 1 1 19 19 TYR N N 19 119.280 119.280 121.395 -2.115 19613 5899 1 18 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.215 0.135 19613 5900 1 18 . 1 1 19 19 TYR C C 19 177.480 177.480 177.775 -0.295 19613 5901 1 18 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.621 -0.061 19613 5902 1 18 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.209 0.191 19613 5903 1 18 . 1 1 19 19 TYR H H 19 7.820 7.820 8.168 -0.348 19613 5904 1 18 . 1 1 20 20 LEU N N 20 117.650 117.650 118.290 -0.640 19613 5905 1 18 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.934 -0.014 19613 5906 1 18 . 1 1 20 20 LEU C C 20 181.270 181.270 179.552 1.718 19613 5907 1 18 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.111 1.239 19613 5908 1 18 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.647 -0.017 19613 5909 1 18 . 1 1 20 20 LEU H H 20 8.610 8.610 8.721 -0.111 19613 5910 1 18 . 1 1 21 21 GLN N N 21 119.530 119.530 119.641 -0.111 19613 5911 1 18 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.123 -0.203 19613 5912 1 18 . 1 1 21 21 GLN C C 21 177.950 177.950 177.957 -0.007 19613 5913 1 18 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.322 0.518 19613 5914 1 18 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.478 -0.078 19613 5915 1 18 . 1 1 21 21 GLN H H 21 8.630 8.630 8.185 0.445 19613 5916 1 18 . 1 1 22 22 GLU N N 22 118.500 118.500 118.876 -0.376 19613 5917 1 18 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.108 -0.098 19613 5918 1 18 . 1 1 22 22 GLU C C 22 178.790 178.790 178.496 0.294 19613 5919 1 18 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.310 0.320 19613 5920 1 18 . 1 1 22 22 GLU CB C 22 29.870 29.870 30.023 -0.152 19613 5921 1 18 . 1 1 22 22 GLU H H 22 8.260 8.260 8.223 0.037 19613 5922 1 18 . 1 1 23 23 GLN N N 23 115.130 115.130 116.791 -1.661 19613 5923 1 18 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.267 -0.297 19613 5924 1 18 . 1 1 23 23 GLN C C 23 177.150 177.150 176.650 0.500 19613 5925 1 18 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.121 0.379 19613 5926 1 18 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.131 1.219 19613 5927 1 18 . 1 1 23 23 GLN H H 23 8.110 8.110 7.808 0.302 19613 5928 1 18 . 1 1 24 24 ASN N N 24 113.770 113.770 115.838 -2.068 19613 5929 1 18 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.384 0.166 19613 5930 1 18 . 1 1 24 24 ASN C C 24 173.280 173.280 173.886 -0.606 19613 5931 1 18 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.110 -0.250 19613 5932 1 18 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.602 0.238 19613 5933 1 18 . 1 1 24 24 ASN H H 24 8.000 8.000 8.153 -0.153 19613 5934 1 18 . 1 1 25 25 ARG N N 25 113.220 113.220 116.979 -3.759 19613 5935 1 18 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.679 0.051 19613 5936 1 18 . 1 1 25 25 ARG C C 25 172.740 172.740 173.504 -0.764 19613 5937 1 18 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.505 0.885 19613 5938 1 18 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.094 -0.594 19613 5939 1 18 . 1 1 25 25 ARG H H 25 7.100 7.100 7.734 -0.634 19613 5940 1 18 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.841 0.459 19613 5941 1 18 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.398 -1.067 19613 5942 1 18 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.121 0.569 19613 5943 1 18 . 1 1 27 27 TYR N N 27 118.560 118.560 122.639 -4.079 19613 5944 1 18 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.791 0.369 19613 5945 1 18 . 1 1 27 27 TYR C C 27 175.960 175.960 175.936 0.024 19613 5946 1 18 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.864 0.756 19613 5947 1 18 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.613 3.217 19613 5948 1 18 . 1 1 27 27 TYR H H 27 9.040 9.040 8.988 0.052 19613 5949 1 18 . 1 1 28 28 SER N N 28 117.540 117.540 118.987 -1.447 19613 5950 1 18 . 1 1 28 28 SER HA H 28 5.290 5.290 4.935 0.355 19613 5951 1 18 . 1 1 28 28 SER C C 28 175.120 175.120 176.118 -0.998 19613 5952 1 18 . 1 1 28 28 SER CA C 28 56.790 56.790 57.886 -1.096 19613 5953 1 18 . 1 1 28 28 SER CB C 28 65.290 65.290 64.899 0.391 19613 5954 1 18 . 1 1 28 28 SER H H 28 9.590 9.590 8.742 0.848 19613 5955 1 18 . 1 1 29 29 ALA N N 29 122.480 122.480 123.340 -0.860 19613 5956 1 18 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.061 -0.171 19613 5957 1 18 . 1 1 29 29 ALA C C 29 179.570 179.570 180.036 -0.466 19613 5958 1 18 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.640 0.050 19613 5959 1 18 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.667 0.273 19613 5960 1 18 . 1 1 29 29 ALA H H 29 9.830 9.830 8.987 0.843 19613 5961 1 18 . 1 1 30 30 GLN N N 30 116.680 116.680 116.659 0.021 19613 5962 1 18 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.310 -0.310 19613 5963 1 18 . 1 1 30 30 GLN C C 30 178.110 178.110 178.485 -0.375 19613 5964 1 18 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.278 0.742 19613 5965 1 18 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.313 -0.403 19613 5966 1 18 . 1 1 30 30 GLN H H 30 8.580 8.580 8.420 0.160 19613 5967 1 18 . 1 1 31 31 ASP N N 31 120.540 120.540 121.944 -1.404 19613 5968 1 18 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.532 0.038 19613 5969 1 18 . 1 1 31 31 ASP C C 31 178.000 178.000 179.017 -1.017 19613 5970 1 18 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.478 -0.409 19613 5971 1 18 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.725 0.285 19613 5972 1 18 . 1 1 31 31 ASP H H 31 7.950 7.950 8.323 -0.373 19613 5973 1 18 . 1 1 32 32 VAL N N 32 120.050 120.050 119.857 0.193 19613 5974 1 18 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.476 -0.366 19613 5975 1 18 . 1 1 32 32 VAL C C 32 176.700 176.700 177.595 -0.895 19613 5976 1 18 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.258 1.422 19613 5977 1 18 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.854 -0.844 19613 5978 1 18 . 1 1 32 32 VAL H H 32 8.220 8.220 8.451 -0.231 19613 5979 1 18 . 1 1 33 33 PHE N N 33 116.980 116.980 121.267 -4.287 19613 5980 1 18 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.139 -0.009 19613 5981 1 18 . 1 1 33 33 PHE C C 33 177.340 177.340 177.182 0.158 19613 5982 1 18 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.794 -0.614 19613 5983 1 18 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.519 -0.099 19613 5984 1 18 . 1 1 33 33 PHE H H 33 8.290 8.290 7.727 0.563 19613 5985 1 18 . 1 1 34 34 GLY N N 34 105.970 105.970 106.011 -0.041 19613 5986 1 18 . 1 1 34 34 GLY C C 34 176.440 176.440 176.031 0.409 19613 5987 1 18 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.134 -0.374 19613 5988 1 18 . 1 1 34 34 GLY H H 34 8.560 8.560 8.525 0.035 19613 5989 1 18 . 1 1 35 35 ASN N N 35 119.330 119.330 120.423 -1.093 19613 5990 1 18 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.470 0.030 19613 5991 1 18 . 1 1 35 35 ASN C C 35 177.080 177.080 177.408 -0.328 19613 5992 1 18 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.312 -0.732 19613 5993 1 18 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.364 -0.654 19613 5994 1 18 . 1 1 35 35 ASN H H 35 8.270 8.270 7.872 0.398 19613 5995 1 18 . 1 1 36 36 LEU N N 36 117.960 117.960 119.652 -1.692 19613 5996 1 18 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.336 0.144 19613 5997 1 18 . 1 1 36 36 LEU C C 36 177.990 177.990 178.853 -0.863 19613 5998 1 18 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.969 -0.879 19613 5999 1 18 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.250 1.020 19613 6000 1 18 . 1 1 36 36 LEU H H 36 7.450 7.450 7.921 -0.471 19613 6001 1 18 . 1 1 37 37 GLN N N 37 121.190 121.190 120.503 0.687 19613 6002 1 18 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.121 -0.271 19613 6003 1 18 . 1 1 37 37 GLN C C 37 178.240 178.240 177.781 0.459 19613 6004 1 18 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.210 1.070 19613 6005 1 18 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.326 -0.346 19613 6006 1 18 . 1 1 37 37 GLN H H 37 7.310 7.310 8.211 -0.901 19613 6007 1 18 . 1 1 38 38 LYS N N 38 119.590 119.590 118.021 1.569 19613 6008 1 18 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.128 -0.268 19613 6009 1 18 . 1 1 38 38 LYS C C 38 178.090 178.090 178.175 -0.085 19613 6010 1 18 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.409 0.991 19613 6011 1 18 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.574 -0.874 19613 6012 1 18 . 1 1 38 38 LYS H H 38 8.500 8.500 7.534 0.966 19613 6013 1 18 . 1 1 39 39 GLU N N 39 116.720 116.720 117.730 -1.010 19613 6014 1 18 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.115 -0.195 19613 6015 1 18 . 1 1 39 39 GLU C C 39 176.580 176.580 177.852 -1.272 19613 6016 1 18 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.364 -0.114 19613 6017 1 18 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.268 0.211 19613 6018 1 18 . 1 1 39 39 GLU H H 39 8.290 8.290 7.910 0.380 19613 6019 1 18 . 1 1 40 40 HIS N N 40 112.640 112.640 114.643 -2.003 19613 6020 1 18 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.733 -0.023 19613 6021 1 18 . 1 1 40 40 HIS C C 40 176.970 176.970 175.568 1.402 19613 6022 1 18 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.030 0.600 19613 6023 1 18 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.158 1.812 19613 6024 1 18 . 1 1 40 40 HIS H H 40 7.640 7.640 7.554 0.086 19613 6025 1 18 . 1 1 41 41 GLY N N 41 108.210 108.210 108.234 -0.024 19613 6026 1 18 . 1 1 41 41 GLY C C 41 174.560 174.560 174.267 0.293 19613 6027 1 18 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.453 1.727 19613 6028 1 18 . 1 1 41 41 GLY H H 41 8.100 8.100 8.055 0.045 19613 6029 1 18 . 1 1 42 42 LEU N N 42 117.300 117.300 121.335 -4.035 19613 6030 1 18 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.422 -0.112 19613 6031 1 18 . 1 1 42 42 LEU C C 42 177.790 177.790 177.552 0.238 19613 6032 1 18 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.921 -0.511 19613 6033 1 18 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.477 0.343 19613 6034 1 18 . 1 1 42 42 LEU H H 42 6.850 6.850 7.808 -0.958 19613 6035 1 18 . 1 1 43 43 GLY N N 43 109.450 109.450 109.140 0.310 19613 6036 1 18 . 1 1 43 43 GLY C C 43 173.630 173.630 174.685 -1.055 19613 6037 1 18 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.547 -0.207 19613 6038 1 18 . 1 1 43 43 GLY H H 43 8.690 8.690 8.298 0.392 19613 6039 1 18 . 1 1 44 44 LYS N N 44 123.130 123.130 120.886 2.244 19613 6040 1 18 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.134 0.046 19613 6041 1 18 . 1 1 44 44 LYS C C 44 177.960 177.960 178.546 -0.586 19613 6042 1 18 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.049 1.401 19613 6043 1 18 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.915 -0.965 19613 6044 1 18 . 1 1 44 44 LYS H H 44 8.320 8.320 8.669 -0.349 19613 6045 1 18 . 1 1 45 45 ALA N N 45 119.150 119.150 121.446 -2.296 19613 6046 1 18 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.089 -0.119 19613 6047 1 18 . 1 1 45 45 ALA C C 45 180.320 180.320 179.434 0.886 19613 6048 1 18 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.649 0.331 19613 6049 1 18 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.860 -0.480 19613 6050 1 18 . 1 1 45 45 ALA H H 45 8.360 8.360 8.335 0.025 19613 6051 1 18 . 1 1 46 46 ALA N N 46 120.560 120.560 121.965 -1.405 19613 6052 1 18 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.101 -0.071 19613 6053 1 18 . 1 1 46 46 ALA C C 46 180.760 180.760 180.133 0.627 19613 6054 1 18 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.727 -0.197 19613 6055 1 18 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.210 -0.140 19613 6056 1 18 . 1 1 46 46 ALA H H 46 7.530 7.530 8.174 -0.644 19613 6057 1 18 . 1 1 47 47 VAL N N 47 120.280 120.280 118.925 1.355 19613 6058 1 18 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.524 -0.144 19613 6059 1 18 . 1 1 47 47 VAL C C 47 176.860 176.860 177.951 -1.091 19613 6060 1 18 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.609 0.112 19613 6061 1 18 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.902 -0.482 19613 6062 1 18 . 1 1 47 47 VAL H H 47 7.910 7.910 7.967 -0.057 19613 6063 1 18 . 1 1 48 48 VAL N N 48 119.370 119.370 119.704 -0.334 19613 6064 1 18 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.437 -0.087 19613 6065 1 18 . 1 1 48 48 VAL C C 48 178.200 178.200 177.787 0.413 19613 6066 1 18 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.006 -0.146 19613 6067 1 18 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.334 0.646 19613 6068 1 18 . 1 1 48 48 VAL H H 48 8.240 8.240 7.965 0.275 19613 6069 1 18 . 1 1 49 49 LYS N N 49 117.640 117.640 119.187 -1.547 19613 6070 1 18 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.014 0.066 19613 6071 1 18 . 1 1 49 49 LYS C C 49 178.920 178.920 178.914 0.006 19613 6072 1 18 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.481 -0.491 19613 6073 1 18 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.183 0.337 19613 6074 1 18 . 1 1 49 49 LYS H H 49 7.830 7.830 8.237 -0.407 19613 6075 1 18 . 1 1 50 50 ALA N N 50 120.810 120.810 122.915 -2.105 19613 6076 1 18 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.120 -0.060 19613 6077 1 18 . 1 1 50 50 ALA C C 50 179.390 179.390 179.638 -0.248 19613 6078 1 18 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.905 -0.105 19613 6079 1 18 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.077 0.923 19613 6080 1 18 . 1 1 50 50 ALA H H 50 7.920 7.920 7.819 0.101 19613 6081 1 18 . 1 1 51 51 LEU N N 51 118.510 118.510 119.199 -0.689 19613 6082 1 18 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.727 -0.167 19613 6083 1 18 . 1 1 51 51 LEU C C 51 177.800 177.800 178.781 -0.981 19613 6084 1 18 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.065 0.145 19613 6085 1 18 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.170 -0.880 19613 6086 1 18 . 1 1 51 51 LEU H H 51 8.210 8.210 8.198 0.012 19613 6087 1 18 . 1 1 52 52 ASP N N 52 116.940 116.940 118.709 -1.769 19613 6088 1 18 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.480 0.040 19613 6089 1 18 . 1 1 52 52 ASP C C 52 178.800 178.800 179.002 -0.202 19613 6090 1 18 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.269 0.131 19613 6091 1 18 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.099 0.811 19613 6092 1 18 . 1 1 52 52 ASP H H 52 7.710 7.710 8.053 -0.343 19613 6093 1 18 . 1 1 53 53 GLN N N 53 120.360 120.360 120.487 -0.127 19613 6094 1 18 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.140 -0.160 19613 6095 1 18 . 1 1 53 53 GLN C C 53 178.310 178.310 178.404 -0.094 19613 6096 1 18 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.462 0.908 19613 6097 1 18 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.372 -0.032 19613 6098 1 18 . 1 1 53 53 GLN H H 53 8.200 8.200 7.957 0.243 19613 6099 1 18 . 1 1 54 54 LEU N N 54 118.990 118.990 119.742 -0.752 19613 6100 1 18 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.092 -0.112 19613 6101 1 18 . 1 1 54 54 LEU C C 54 179.660 179.660 179.006 0.654 19613 6102 1 18 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.704 0.046 19613 6103 1 18 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.722 1.718 19613 6104 1 18 . 1 1 54 54 LEU H H 54 8.500 8.500 8.391 0.109 19613 6105 1 18 . 1 1 55 55 ALA N N 55 122.270 122.270 121.046 1.224 19613 6106 1 18 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.402 -0.032 19613 6107 1 18 . 1 1 55 55 ALA C C 55 181.940 181.940 179.766 2.174 19613 6108 1 18 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.462 0.248 19613 6109 1 18 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.558 -0.969 19613 6110 1 18 . 1 1 55 55 ALA H H 55 8.350 8.350 8.156 0.194 19613 6111 1 18 . 1 1 56 56 GLN N N 56 122.320 122.320 118.448 3.872 19613 6112 1 18 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.103 -0.033 19613 6113 1 18 . 1 1 56 56 GLN C C 56 178.840 178.840 178.250 0.590 19613 6114 1 18 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.089 1.091 19613 6115 1 18 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.651 -0.601 19613 6116 1 18 . 1 1 56 56 GLN H H 56 8.610 8.610 8.115 0.495 19613 6117 1 18 . 1 1 57 57 GLU N N 57 115.890 115.890 116.451 -0.561 19613 6118 1 18 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.205 0.015 19613 6119 1 18 . 1 1 57 57 GLU C C 57 177.000 177.000 177.244 -0.244 19613 6120 1 18 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.741 -0.061 19613 6121 1 18 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.258 0.532 19613 6122 1 18 . 1 1 57 57 GLU H H 57 8.060 8.060 7.906 0.154 19613 6123 1 18 . 1 1 58 58 GLY N N 58 107.440 107.440 106.012 1.428 19613 6124 1 18 . 1 1 58 58 GLY C C 58 174.340 174.340 175.173 -0.833 19613 6125 1 18 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.329 0.251 19613 6126 1 18 . 1 1 58 58 GLY H H 58 7.920 7.920 8.009 -0.089 19613 6127 1 18 . 1 1 59 59 LYS N N 59 118.190 118.190 118.525 -0.335 19613 6128 1 18 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.386 -0.226 19613 6129 1 18 . 1 1 59 59 LYS C C 59 176.150 176.150 176.032 0.118 19613 6130 1 18 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.956 0.834 19613 6131 1 18 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.549 0.631 19613 6132 1 18 . 1 1 59 59 LYS H H 59 8.170 8.170 8.582 -0.412 19613 6133 1 18 . 1 1 60 60 ILE N N 60 107.860 107.860 113.132 -5.272 19613 6134 1 18 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.846 -0.276 19613 6135 1 18 . 1 1 60 60 ILE C C 60 172.900 172.900 174.198 -1.298 19613 6136 1 18 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.179 -0.639 19613 6137 1 18 . 1 1 60 60 ILE CB C 60 40.910 40.910 42.083 -1.173 19613 6138 1 18 . 1 1 60 60 ILE H H 60 7.140 7.140 7.324 -0.184 19613 6139 1 18 . 1 1 61 61 LYS N N 61 119.750 119.750 121.515 -1.765 19613 6140 1 18 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.568 -0.158 19613 6141 1 18 . 1 1 61 61 LYS C C 61 173.930 173.930 174.553 -0.623 19613 6142 1 18 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.575 -0.315 19613 6143 1 18 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.394 -0.724 19613 6144 1 18 . 1 1 61 61 LYS H H 61 8.670 8.670 8.440 0.230 19613 6145 1 18 . 1 1 62 62 GLU N N 62 117.580 117.580 120.888 -3.308 19613 6146 1 18 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.075 0.065 19613 6147 1 18 . 1 1 62 62 GLU C C 62 175.630 175.630 175.529 0.101 19613 6148 1 18 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.075 -0.494 19613 6149 1 18 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.335 1.575 19613 6150 1 18 . 1 1 62 62 GLU H H 62 8.130 8.130 8.402 -0.272 19613 6151 1 18 . 1 1 63 63 LYS N N 63 122.890 122.890 123.480 -0.590 19613 6152 1 18 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.624 -0.074 19613 6153 1 18 . 1 1 63 63 LYS C C 63 174.510 174.510 175.344 -0.834 19613 6154 1 18 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.969 0.040 19613 6155 1 18 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.287 -0.007 19613 6156 1 18 . 1 1 63 63 LYS H H 63 8.880 8.880 8.757 0.123 19613 6157 1 18 . 1 1 64 64 THR N N 64 117.560 117.560 119.900 -2.340 19613 6158 1 18 . 1 1 64 64 THR HA H 64 4.760 4.760 4.648 0.112 19613 6159 1 18 . 1 1 64 64 THR C C 64 173.870 173.870 173.945 -0.075 19613 6160 1 18 . 1 1 64 64 THR CA C 64 62.120 62.120 62.605 -0.485 19613 6161 1 18 . 1 1 64 64 THR CB C 64 69.740 69.740 69.192 0.548 19613 6162 1 18 . 1 1 64 64 THR H H 64 8.410 8.410 8.490 -0.080 19613 6163 1 18 . 1 1 65 65 TYR N N 65 127.630 127.630 128.422 -0.792 19613 6164 1 18 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.513 0.197 19613 6165 1 18 . 1 1 65 65 TYR C C 65 175.780 175.780 176.169 -0.389 19613 6166 1 18 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.025 -0.495 19613 6167 1 18 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.660 1.560 19613 6168 1 18 . 1 1 65 65 TYR H H 65 8.770 8.770 9.102 -0.332 19613 6169 1 18 . 1 1 67 67 LYS N N 67 120.220 120.220 124.622 -4.402 19613 6170 1 18 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.460 -0.260 19613 6171 1 18 . 1 1 67 67 LYS C C 67 175.890 175.890 175.855 0.035 19613 6172 1 18 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.097 0.203 19613 6173 1 18 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.388 -1.208 19613 6174 1 18 . 1 1 67 67 LYS H H 67 8.110 8.110 8.629 -0.519 19613 6175 1 18 . 1 1 68 68 GLN N N 68 119.090 119.090 119.695 -0.605 19613 6176 1 18 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.612 0.068 19613 6177 1 18 . 1 1 68 68 GLN C C 68 174.080 174.080 174.318 -0.238 19613 6178 1 18 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.810 -0.010 19613 6179 1 18 . 1 1 68 68 GLN CB C 68 31.590 31.590 32.361 -0.771 19613 6180 1 18 . 1 1 68 68 GLN H H 68 7.920 7.920 7.603 0.317 19613 6181 1 18 . 1 1 69 69 LYS N N 69 123.400 123.400 121.110 2.290 19613 6182 1 18 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.117 -0.377 19613 6183 1 18 . 1 1 69 69 LYS C C 69 175.820 175.820 175.689 0.131 19613 6184 1 18 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.450 0.640 19613 6185 1 18 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.181 -1.271 19613 6186 1 18 . 1 1 69 69 LYS H H 69 8.370 8.370 8.658 -0.288 19613 6187 1 18 . 1 1 70 70 ILE N N 70 120.640 120.640 120.886 -0.246 19613 6188 1 18 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.726 -0.166 19613 6189 1 18 . 1 1 70 70 ILE C C 70 173.330 173.330 174.484 -1.154 19613 6190 1 18 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.520 -1.470 19613 6191 1 18 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.051 -0.371 19613 6192 1 18 . 1 1 70 70 ILE H H 70 8.780 8.780 8.972 -0.192 19613 6193 1 18 . 1 1 71 71 TYR N N 71 120.200 120.200 125.153 -4.953 19613 6194 1 18 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.677 -0.087 19613 6195 1 18 . 1 1 71 71 TYR C C 71 175.840 175.840 175.280 0.560 19613 6196 1 18 . 1 1 71 71 TYR CA C 71 56.810 56.810 56.026 0.784 19613 6197 1 18 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.649 0.871 19613 6198 1 18 . 1 1 71 71 TYR H H 71 8.810 8.810 9.346 -0.536 19613 6199 1 18 . 1 1 72 72 PHE N N 72 113.950 113.950 117.136 -3.186 19613 6200 1 18 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.205 -0.205 19613 6201 1 18 . 1 1 72 72 PHE C C 72 172.950 172.950 173.555 -0.605 19613 6202 1 18 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.642 0.068 19613 6203 1 18 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.188 -2.138 19613 6204 1 18 . 1 1 72 72 PHE H H 72 8.470 8.470 8.772 -0.302 19613 6205 1 18 . 1 1 73 73 ALA N N 73 123.890 123.890 124.091 -0.201 19613 6206 1 18 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.245 0.295 19613 6207 1 18 . 1 1 73 73 ALA C C 73 176.090 176.090 176.868 -0.778 19613 6208 1 18 . 1 1 73 73 ALA CA C 73 51.470 51.470 52.447 -0.977 19613 6209 1 18 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.409 0.571 19613 6210 1 18 . 1 1 73 73 ALA H H 73 8.850 8.850 8.848 0.002 19613 6211 1 19 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.164 -0.204 19613 6212 1 19 . 1 1 13 13 PRO C C 13 177.740 177.740 179.064 -1.324 19613 6213 1 19 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.151 0.829 19613 6214 1 19 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.970 -0.550 19613 6215 1 19 . 1 1 14 14 GLY N N 14 103.910 103.910 105.800 -1.890 19613 6216 1 19 . 1 1 14 14 GLY C C 14 176.450 176.450 176.543 -0.093 19613 6217 1 19 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.727 0.473 19613 6218 1 19 . 1 1 14 14 GLY H H 14 7.620 7.620 8.427 -0.806 19613 6219 1 19 . 1 1 15 15 ILE N N 15 122.900 122.900 123.332 -0.432 19613 6220 1 19 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.609 -0.139 19613 6221 1 19 . 1 1 15 15 ILE C C 15 178.810 178.810 178.003 0.807 19613 6222 1 19 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.372 -0.632 19613 6223 1 19 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.927 0.853 19613 6224 1 19 . 1 1 15 15 ILE H H 15 7.660 7.660 7.765 -0.105 19613 6225 1 19 . 1 1 16 16 ILE N N 16 120.300 120.300 120.007 0.293 19613 6226 1 19 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.658 -0.328 19613 6227 1 19 . 1 1 16 16 ILE C C 16 176.680 176.680 177.984 -1.304 19613 6228 1 19 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.478 -0.029 19613 6229 1 19 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.868 0.002 19613 6230 1 19 . 1 1 16 16 ILE H H 16 8.130 8.130 8.372 -0.242 19613 6231 1 19 . 1 1 17 17 LEU N N 17 120.680 120.680 120.905 -0.225 19613 6232 1 19 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.985 -0.125 19613 6233 1 19 . 1 1 17 17 LEU C C 17 177.830 177.830 178.372 -0.542 19613 6234 1 19 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.482 0.078 19613 6235 1 19 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.566 0.074 19613 6236 1 19 . 1 1 17 17 LEU H H 17 8.560 8.560 8.148 0.412 19613 6237 1 19 . 1 1 18 18 ARG N N 18 116.160 116.160 118.450 -2.290 19613 6238 1 19 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.956 0.124 19613 6239 1 19 . 1 1 18 18 ARG C C 18 178.250 178.250 178.445 -0.195 19613 6240 1 19 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.403 -0.083 19613 6241 1 19 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.979 -0.389 19613 6242 1 19 . 1 1 18 18 ARG H H 18 7.580 7.580 8.027 -0.447 19613 6243 1 19 . 1 1 19 19 TYR N N 19 119.280 119.280 121.171 -1.891 19613 6244 1 19 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.180 0.170 19613 6245 1 19 . 1 1 19 19 TYR C C 19 177.480 177.480 177.872 -0.392 19613 6246 1 19 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.413 0.147 19613 6247 1 19 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.207 0.193 19613 6248 1 19 . 1 1 19 19 TYR H H 19 7.820 7.820 8.140 -0.320 19613 6249 1 19 . 1 1 20 20 LEU N N 20 117.650 117.650 118.703 -1.053 19613 6250 1 19 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.861 0.059 19613 6251 1 19 . 1 1 20 20 LEU C C 20 181.270 181.270 179.618 1.652 19613 6252 1 19 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.609 0.741 19613 6253 1 19 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.762 -0.132 19613 6254 1 19 . 1 1 20 20 LEU H H 20 8.610 8.610 8.627 -0.017 19613 6255 1 19 . 1 1 21 21 GLN N N 21 119.530 119.530 118.474 1.056 19613 6256 1 19 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.082 -0.162 19613 6257 1 19 . 1 1 21 21 GLN C C 21 177.950 177.950 178.262 -0.312 19613 6258 1 19 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.675 0.165 19613 6259 1 19 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.852 -0.452 19613 6260 1 19 . 1 1 21 21 GLN H H 21 8.630 8.630 8.052 0.578 19613 6261 1 19 . 1 1 22 22 GLU N N 22 118.500 118.500 118.394 0.106 19613 6262 1 19 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.113 -0.103 19613 6263 1 19 . 1 1 22 22 GLU C C 22 178.790 178.790 178.016 0.774 19613 6264 1 19 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.659 -0.029 19613 6265 1 19 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.774 0.096 19613 6266 1 19 . 1 1 22 22 GLU H H 22 8.260 8.260 8.029 0.231 19613 6267 1 19 . 1 1 23 23 GLN N N 23 115.130 115.130 115.267 -0.137 19613 6268 1 19 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.316 -0.346 19613 6269 1 19 . 1 1 23 23 GLN C C 23 177.150 177.150 176.125 1.025 19613 6270 1 19 . 1 1 23 23 GLN CA C 23 56.500 56.500 55.735 0.765 19613 6271 1 19 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.495 0.855 19613 6272 1 19 . 1 1 23 23 GLN H H 23 8.110 8.110 7.862 0.248 19613 6273 1 19 . 1 1 24 24 ASN N N 24 113.770 113.770 117.166 -3.396 19613 6274 1 19 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.376 0.174 19613 6275 1 19 . 1 1 24 24 ASN C C 24 173.280 173.280 173.578 -0.298 19613 6276 1 19 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.164 -0.304 19613 6277 1 19 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.225 0.615 19613 6278 1 19 . 1 1 24 24 ASN H H 24 8.000 8.000 8.012 -0.012 19613 6279 1 19 . 1 1 25 25 ARG N N 25 113.220 113.220 115.361 -2.141 19613 6280 1 19 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.636 0.094 19613 6281 1 19 . 1 1 25 25 ARG C C 25 172.740 172.740 173.084 -0.344 19613 6282 1 19 . 1 1 25 25 ARG CA C 25 53.390 53.390 53.711 -0.321 19613 6283 1 19 . 1 1 25 25 ARG CB C 25 31.500 31.500 31.351 0.149 19613 6284 1 19 . 1 1 25 25 ARG H H 25 7.100 7.100 7.638 -0.538 19613 6285 1 19 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.840 0.460 19613 6286 1 19 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.268 -0.938 19613 6287 1 19 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.296 0.394 19613 6288 1 19 . 1 1 27 27 TYR N N 27 118.560 118.560 120.681 -2.121 19613 6289 1 19 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.744 0.416 19613 6290 1 19 . 1 1 27 27 TYR C C 27 175.960 175.960 175.728 0.232 19613 6291 1 19 . 1 1 27 27 TYR CA C 27 57.620 57.620 57.024 0.596 19613 6292 1 19 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.857 2.973 19613 6293 1 19 . 1 1 27 27 TYR H H 27 9.040 9.040 8.926 0.114 19613 6294 1 19 . 1 1 28 28 SER N N 28 117.540 117.540 117.822 -0.282 19613 6295 1 19 . 1 1 28 28 SER HA H 28 5.290 5.290 5.064 0.226 19613 6296 1 19 . 1 1 28 28 SER C C 28 175.120 175.120 176.056 -0.936 19613 6297 1 19 . 1 1 28 28 SER CA C 28 56.790 56.790 57.976 -1.186 19613 6298 1 19 . 1 1 28 28 SER CB C 28 65.290 65.290 65.106 0.184 19613 6299 1 19 . 1 1 28 28 SER H H 28 9.590 9.590 8.719 0.871 19613 6300 1 19 . 1 1 29 29 ALA N N 29 122.480 122.480 124.147 -1.667 19613 6301 1 19 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.129 -0.239 19613 6302 1 19 . 1 1 29 29 ALA C C 29 179.570 179.570 179.955 -0.385 19613 6303 1 19 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.824 -0.134 19613 6304 1 19 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.711 0.229 19613 6305 1 19 . 1 1 29 29 ALA H H 29 9.830 9.830 8.937 0.893 19613 6306 1 19 . 1 1 30 30 GLN N N 30 116.680 116.680 117.602 -0.922 19613 6307 1 19 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.184 -0.184 19613 6308 1 19 . 1 1 30 30 GLN C C 30 178.110 178.110 178.467 -0.357 19613 6309 1 19 . 1 1 30 30 GLN CA C 30 59.020 59.020 59.004 0.016 19613 6310 1 19 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.634 -0.724 19613 6311 1 19 . 1 1 30 30 GLN H H 30 8.580 8.580 8.492 0.088 19613 6312 1 19 . 1 1 31 31 ASP N N 31 120.540 120.540 121.285 -0.745 19613 6313 1 19 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.528 0.042 19613 6314 1 19 . 1 1 31 31 ASP C C 31 178.000 178.000 178.984 -0.984 19613 6315 1 19 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.321 -0.251 19613 6316 1 19 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.824 0.186 19613 6317 1 19 . 1 1 31 31 ASP H H 31 7.950 7.950 7.961 -0.011 19613 6318 1 19 . 1 1 32 32 VAL N N 32 120.050 120.050 119.977 0.073 19613 6319 1 19 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.456 -0.346 19613 6320 1 19 . 1 1 32 32 VAL C C 32 176.700 176.700 177.673 -0.973 19613 6321 1 19 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.241 1.439 19613 6322 1 19 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.870 -0.860 19613 6323 1 19 . 1 1 32 32 VAL H H 32 8.220 8.220 8.431 -0.211 19613 6324 1 19 . 1 1 33 33 PHE N N 33 116.980 116.980 121.272 -4.292 19613 6325 1 19 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.119 0.011 19613 6326 1 19 . 1 1 33 33 PHE C C 33 177.340 177.340 177.199 0.141 19613 6327 1 19 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.780 -0.600 19613 6328 1 19 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.617 -0.197 19613 6329 1 19 . 1 1 33 33 PHE H H 33 8.290 8.290 7.858 0.432 19613 6330 1 19 . 1 1 34 34 GLY N N 34 105.970 105.970 105.449 0.521 19613 6331 1 19 . 1 1 34 34 GLY C C 34 176.440 176.440 176.009 0.431 19613 6332 1 19 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.078 -0.319 19613 6333 1 19 . 1 1 34 34 GLY H H 34 8.560 8.560 8.560 -0.000 19613 6334 1 19 . 1 1 35 35 ASN N N 35 119.330 119.330 119.797 -0.467 19613 6335 1 19 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.487 0.013 19613 6336 1 19 . 1 1 35 35 ASN C C 35 177.080 177.080 177.130 -0.050 19613 6337 1 19 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.017 -0.437 19613 6338 1 19 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.553 -0.843 19613 6339 1 19 . 1 1 35 35 ASN H H 35 8.270 8.270 7.837 0.433 19613 6340 1 19 . 1 1 36 36 LEU N N 36 117.960 117.960 118.927 -0.967 19613 6341 1 19 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.533 -0.053 19613 6342 1 19 . 1 1 36 36 LEU C C 36 177.990 177.990 178.059 -0.069 19613 6343 1 19 . 1 1 36 36 LEU CA C 36 55.090 55.090 54.779 0.311 19613 6344 1 19 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.232 1.038 19613 6345 1 19 . 1 1 36 36 LEU H H 36 7.450 7.450 7.636 -0.186 19613 6346 1 19 . 1 1 37 37 GLN N N 37 121.190 121.190 121.845 -0.655 19613 6347 1 19 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.172 -0.322 19613 6348 1 19 . 1 1 37 37 GLN C C 37 178.240 178.240 177.515 0.725 19613 6349 1 19 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.423 0.857 19613 6350 1 19 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.402 -0.422 19613 6351 1 19 . 1 1 37 37 GLN H H 37 7.310 7.310 7.988 -0.678 19613 6352 1 19 . 1 1 38 38 LYS N N 38 119.590 119.590 117.014 2.576 19613 6353 1 19 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.165 -0.305 19613 6354 1 19 . 1 1 38 38 LYS C C 38 178.090 178.090 178.723 -0.633 19613 6355 1 19 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.111 1.289 19613 6356 1 19 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.507 -0.807 19613 6357 1 19 . 1 1 38 38 LYS H H 38 8.500 8.500 7.881 0.619 19613 6358 1 19 . 1 1 39 39 GLU N N 39 116.720 116.720 117.765 -1.045 19613 6359 1 19 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.112 -0.192 19613 6360 1 19 . 1 1 39 39 GLU C C 39 176.580 176.580 177.552 -0.972 19613 6361 1 19 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.245 0.005 19613 6362 1 19 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.138 0.342 19613 6363 1 19 . 1 1 39 39 GLU H H 39 8.290 8.290 8.322 -0.032 19613 6364 1 19 . 1 1 40 40 HIS N N 40 112.640 112.640 114.399 -1.759 19613 6365 1 19 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.702 0.008 19613 6366 1 19 . 1 1 40 40 HIS C C 40 176.970 176.970 174.868 2.102 19613 6367 1 19 . 1 1 40 40 HIS CA C 40 56.630 56.630 55.209 1.421 19613 6368 1 19 . 1 1 40 40 HIS CB C 40 32.970 32.970 30.842 2.128 19613 6369 1 19 . 1 1 40 40 HIS H H 40 7.640 7.640 7.607 0.033 19613 6370 1 19 . 1 1 41 41 GLY N N 41 108.210 108.210 108.636 -0.426 19613 6371 1 19 . 1 1 41 41 GLY C C 41 174.560 174.560 174.640 -0.080 19613 6372 1 19 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.552 1.628 19613 6373 1 19 . 1 1 41 41 GLY H H 41 8.100 8.100 7.704 0.396 19613 6374 1 19 . 1 1 42 42 LEU N N 42 117.300 117.300 121.332 -4.032 19613 6375 1 19 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.501 -0.191 19613 6376 1 19 . 1 1 42 42 LEU C C 42 177.790 177.790 177.163 0.627 19613 6377 1 19 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.544 -0.134 19613 6378 1 19 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.599 0.221 19613 6379 1 19 . 1 1 42 42 LEU H H 42 6.850 6.850 7.751 -0.901 19613 6380 1 19 . 1 1 43 43 GLY N N 43 109.450 109.450 109.622 -0.172 19613 6381 1 19 . 1 1 43 43 GLY C C 43 173.630 173.630 174.493 -0.863 19613 6382 1 19 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.406 -0.066 19613 6383 1 19 . 1 1 43 43 GLY H H 43 8.690 8.690 8.454 0.236 19613 6384 1 19 . 1 1 44 44 LYS N N 44 123.130 123.130 120.668 2.462 19613 6385 1 19 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.199 -0.019 19613 6386 1 19 . 1 1 44 44 LYS C C 44 177.960 177.960 178.540 -0.580 19613 6387 1 19 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.028 1.422 19613 6388 1 19 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.888 -0.938 19613 6389 1 19 . 1 1 44 44 LYS H H 44 8.320 8.320 8.648 -0.328 19613 6390 1 19 . 1 1 45 45 ALA N N 45 119.150 119.150 121.491 -2.341 19613 6391 1 19 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.087 -0.117 19613 6392 1 19 . 1 1 45 45 ALA C C 45 180.320 180.320 179.442 0.878 19613 6393 1 19 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.693 0.287 19613 6394 1 19 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.847 -0.467 19613 6395 1 19 . 1 1 45 45 ALA H H 45 8.360 8.360 8.338 0.022 19613 6396 1 19 . 1 1 46 46 ALA N N 46 120.560 120.560 121.887 -1.327 19613 6397 1 19 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.103 -0.073 19613 6398 1 19 . 1 1 46 46 ALA C C 46 180.760 180.760 180.137 0.623 19613 6399 1 19 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.729 -0.199 19613 6400 1 19 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.202 -0.132 19613 6401 1 19 . 1 1 46 46 ALA H H 46 7.530 7.530 8.248 -0.718 19613 6402 1 19 . 1 1 47 47 VAL N N 47 120.280 120.280 118.948 1.332 19613 6403 1 19 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.528 -0.148 19613 6404 1 19 . 1 1 47 47 VAL C C 47 176.860 176.860 177.942 -1.082 19613 6405 1 19 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.599 0.121 19613 6406 1 19 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.918 -0.498 19613 6407 1 19 . 1 1 47 47 VAL H H 47 7.910 7.910 7.977 -0.067 19613 6408 1 19 . 1 1 48 48 VAL N N 48 119.370 119.370 119.853 -0.483 19613 6409 1 19 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.436 -0.086 19613 6410 1 19 . 1 1 48 48 VAL C C 48 178.200 178.200 177.707 0.493 19613 6411 1 19 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.112 -0.252 19613 6412 1 19 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.342 0.638 19613 6413 1 19 . 1 1 48 48 VAL H H 48 8.240 8.240 8.136 0.104 19613 6414 1 19 . 1 1 49 49 LYS N N 49 117.640 117.640 119.046 -1.406 19613 6415 1 19 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.986 0.094 19613 6416 1 19 . 1 1 49 49 LYS C C 49 178.920 178.920 178.893 0.027 19613 6417 1 19 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.618 -0.628 19613 6418 1 19 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.148 0.372 19613 6419 1 19 . 1 1 49 49 LYS H H 49 7.830 7.830 8.148 -0.318 19613 6420 1 19 . 1 1 50 50 ALA N N 50 120.810 120.810 123.332 -2.522 19613 6421 1 19 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.137 -0.077 19613 6422 1 19 . 1 1 50 50 ALA C C 50 179.390 179.390 179.506 -0.116 19613 6423 1 19 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.773 0.027 19613 6424 1 19 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.385 0.615 19613 6425 1 19 . 1 1 50 50 ALA H H 50 7.920 7.920 7.709 0.211 19613 6426 1 19 . 1 1 51 51 LEU N N 51 118.510 118.510 119.323 -0.813 19613 6427 1 19 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.612 -0.052 19613 6428 1 19 . 1 1 51 51 LEU C C 51 177.800 177.800 178.764 -0.964 19613 6429 1 19 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.111 0.099 19613 6430 1 19 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.047 -0.757 19613 6431 1 19 . 1 1 51 51 LEU H H 51 8.210 8.210 8.180 0.030 19613 6432 1 19 . 1 1 52 52 ASP N N 52 116.940 116.940 118.532 -1.592 19613 6433 1 19 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.458 0.062 19613 6434 1 19 . 1 1 52 52 ASP C C 52 178.800 178.800 178.874 -0.074 19613 6435 1 19 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.207 0.193 19613 6436 1 19 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.194 0.716 19613 6437 1 19 . 1 1 52 52 ASP H H 52 7.710 7.710 7.817 -0.107 19613 6438 1 19 . 1 1 53 53 GLN N N 53 120.360 120.360 121.100 -0.740 19613 6439 1 19 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.005 -0.025 19613 6440 1 19 . 1 1 53 53 GLN C C 53 178.310 178.310 178.437 -0.127 19613 6441 1 19 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.855 0.515 19613 6442 1 19 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.702 -0.362 19613 6443 1 19 . 1 1 53 53 GLN H H 53 8.200 8.200 7.979 0.221 19613 6444 1 19 . 1 1 54 54 LEU N N 54 118.990 118.990 119.507 -0.517 19613 6445 1 19 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.041 -0.061 19613 6446 1 19 . 1 1 54 54 LEU C C 54 179.660 179.660 179.043 0.617 19613 6447 1 19 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.712 0.038 19613 6448 1 19 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.710 1.730 19613 6449 1 19 . 1 1 54 54 LEU H H 54 8.500 8.500 8.442 0.058 19613 6450 1 19 . 1 1 55 55 ALA N N 55 122.270 122.270 120.933 1.337 19613 6451 1 19 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.332 0.038 19613 6452 1 19 . 1 1 55 55 ALA C C 55 181.940 181.940 179.991 1.949 19613 6453 1 19 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.463 0.247 19613 6454 1 19 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.656 -1.066 19613 6455 1 19 . 1 1 55 55 ALA H H 55 8.350 8.350 7.699 0.651 19613 6456 1 19 . 1 1 56 56 GLN N N 56 122.320 122.320 117.766 4.554 19613 6457 1 19 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.080 -0.010 19613 6458 1 19 . 1 1 56 56 GLN C C 56 178.840 178.840 178.440 0.400 19613 6459 1 19 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.154 1.026 19613 6460 1 19 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.881 -0.831 19613 6461 1 19 . 1 1 56 56 GLN H H 56 8.610 8.610 7.925 0.685 19613 6462 1 19 . 1 1 57 57 GLU N N 57 115.890 115.890 117.196 -1.306 19613 6463 1 19 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.197 0.023 19613 6464 1 19 . 1 1 57 57 GLU C C 57 177.000 177.000 177.333 -0.333 19613 6465 1 19 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.949 -0.269 19613 6466 1 19 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.153 0.637 19613 6467 1 19 . 1 1 57 57 GLU H H 57 8.060 8.060 8.185 -0.125 19613 6468 1 19 . 1 1 58 58 GLY N N 58 107.440 107.440 106.082 1.358 19613 6469 1 19 . 1 1 58 58 GLY C C 58 174.340 174.340 175.235 -0.895 19613 6470 1 19 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.390 0.190 19613 6471 1 19 . 1 1 58 58 GLY H H 58 7.920 7.920 7.895 0.025 19613 6472 1 19 . 1 1 59 59 LYS N N 59 118.190 118.190 118.899 -0.709 19613 6473 1 19 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.361 -0.201 19613 6474 1 19 . 1 1 59 59 LYS C C 59 176.150 176.150 176.213 -0.063 19613 6475 1 19 . 1 1 59 59 LYS CA C 59 57.790 57.790 56.950 0.840 19613 6476 1 19 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.370 0.810 19613 6477 1 19 . 1 1 59 59 LYS H H 59 8.170 8.170 8.534 -0.364 19613 6478 1 19 . 1 1 60 60 ILE N N 60 107.860 107.860 113.259 -5.399 19613 6479 1 19 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.433 0.137 19613 6480 1 19 . 1 1 60 60 ILE C C 60 172.900 172.900 174.183 -1.283 19613 6481 1 19 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.191 -0.650 19613 6482 1 19 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.484 -0.574 19613 6483 1 19 . 1 1 60 60 ILE H H 60 7.140 7.140 7.291 -0.151 19613 6484 1 19 . 1 1 61 61 LYS N N 61 119.750 119.750 120.554 -0.804 19613 6485 1 19 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.509 -0.099 19613 6486 1 19 . 1 1 61 61 LYS C C 61 173.930 173.930 174.705 -0.775 19613 6487 1 19 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.863 -0.603 19613 6488 1 19 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.750 -0.080 19613 6489 1 19 . 1 1 61 61 LYS H H 61 8.670 8.670 8.323 0.347 19613 6490 1 19 . 1 1 62 62 GLU N N 62 117.580 117.580 123.047 -5.467 19613 6491 1 19 . 1 1 62 62 GLU HA H 62 5.140 5.140 4.907 0.233 19613 6492 1 19 . 1 1 62 62 GLU C C 62 175.630 175.630 175.659 -0.029 19613 6493 1 19 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.762 -1.182 19613 6494 1 19 . 1 1 62 62 GLU CB C 62 33.910 33.910 31.932 1.978 19613 6495 1 19 . 1 1 62 62 GLU H H 62 8.130 8.130 8.487 -0.357 19613 6496 1 19 . 1 1 63 63 LYS N N 63 122.890 122.890 125.933 -3.043 19613 6497 1 19 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.758 -0.208 19613 6498 1 19 . 1 1 63 63 LYS C C 63 174.510 174.510 174.853 -0.343 19613 6499 1 19 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.675 0.335 19613 6500 1 19 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.885 -0.605 19613 6501 1 19 . 1 1 63 63 LYS H H 63 8.880 8.880 8.976 -0.096 19613 6502 1 19 . 1 1 64 64 THR N N 64 117.560 117.560 117.134 0.426 19613 6503 1 19 . 1 1 64 64 THR HA H 64 4.760 4.760 4.948 -0.188 19613 6504 1 19 . 1 1 64 64 THR C C 64 173.870 173.870 173.521 0.349 19613 6505 1 19 . 1 1 64 64 THR CA C 64 62.120 62.120 61.767 0.353 19613 6506 1 19 . 1 1 64 64 THR CB C 64 69.740 69.740 70.086 -0.346 19613 6507 1 19 . 1 1 64 64 THR H H 64 8.410 8.410 8.428 -0.018 19613 6508 1 19 . 1 1 65 65 TYR N N 65 127.630 127.630 129.607 -1.977 19613 6509 1 19 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.475 0.235 19613 6510 1 19 . 1 1 65 65 TYR C C 65 175.780 175.780 175.761 0.019 19613 6511 1 19 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.460 0.070 19613 6512 1 19 . 1 1 65 65 TYR CB C 65 39.220 39.220 38.258 0.962 19613 6513 1 19 . 1 1 65 65 TYR H H 65 8.770 8.770 9.025 -0.255 19613 6514 1 19 . 1 1 67 67 LYS N N 67 120.220 120.220 124.883 -4.663 19613 6515 1 19 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.396 -0.196 19613 6516 1 19 . 1 1 67 67 LYS C C 67 175.890 175.890 175.704 0.186 19613 6517 1 19 . 1 1 67 67 LYS CA C 67 56.300 56.300 55.929 0.371 19613 6518 1 19 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.162 -0.982 19613 6519 1 19 . 1 1 67 67 LYS H H 67 8.110 8.110 8.501 -0.391 19613 6520 1 19 . 1 1 68 68 GLN N N 68 119.090 119.090 120.376 -1.286 19613 6521 1 19 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.495 0.185 19613 6522 1 19 . 1 1 68 68 GLN C C 68 174.080 174.080 174.783 -0.703 19613 6523 1 19 . 1 1 68 68 GLN CA C 68 54.800 54.800 55.099 -0.299 19613 6524 1 19 . 1 1 68 68 GLN CB C 68 31.590 31.590 30.886 0.704 19613 6525 1 19 . 1 1 68 68 GLN H H 68 7.920 7.920 7.847 0.073 19613 6526 1 19 . 1 1 69 69 LYS N N 69 123.400 123.400 123.103 0.297 19613 6527 1 19 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.638 0.102 19613 6528 1 19 . 1 1 69 69 LYS C C 69 175.820 175.820 175.518 0.302 19613 6529 1 19 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.086 1.004 19613 6530 1 19 . 1 1 69 69 LYS CB C 69 33.910 33.910 33.888 0.022 19613 6531 1 19 . 1 1 69 69 LYS H H 69 8.370 8.370 8.746 -0.376 19613 6532 1 19 . 1 1 70 70 ILE N N 70 120.640 120.640 123.016 -2.376 19613 6533 1 19 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.626 -0.066 19613 6534 1 19 . 1 1 70 70 ILE C C 70 173.330 173.330 174.149 -0.819 19613 6535 1 19 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.508 -1.458 19613 6536 1 19 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.676 0.004 19613 6537 1 19 . 1 1 70 70 ILE H H 70 8.780 8.780 8.809 -0.029 19613 6538 1 19 . 1 1 71 71 TYR N N 71 120.200 120.200 125.211 -5.011 19613 6539 1 19 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.577 0.013 19613 6540 1 19 . 1 1 71 71 TYR C C 71 175.840 175.840 174.972 0.868 19613 6541 1 19 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.976 0.834 19613 6542 1 19 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.916 0.604 19613 6543 1 19 . 1 1 71 71 TYR H H 71 8.810 8.810 9.318 -0.508 19613 6544 1 19 . 1 1 72 72 PHE N N 72 113.950 113.950 117.528 -3.578 19613 6545 1 19 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.183 -0.183 19613 6546 1 19 . 1 1 72 72 PHE C C 72 172.950 172.950 173.237 -0.287 19613 6547 1 19 . 1 1 72 72 PHE CA C 72 55.710 55.710 56.052 -0.342 19613 6548 1 19 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.138 -2.088 19613 6549 1 19 . 1 1 72 72 PHE H H 72 8.470 8.470 8.536 -0.066 19613 6550 1 19 . 1 1 73 73 ALA N N 73 123.890 123.890 123.615 0.275 19613 6551 1 19 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.249 0.291 19613 6552 1 19 . 1 1 73 73 ALA C C 73 176.090 176.090 176.238 -0.148 19613 6553 1 19 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.781 -0.311 19613 6554 1 19 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.945 0.035 19613 6555 1 19 . 1 1 73 73 ALA H H 73 8.850 8.850 8.805 0.045 19613 6556 1 20 . 1 1 13 13 PRO HA H 13 3.960 3.960 4.164 -0.204 19613 6557 1 20 . 1 1 13 13 PRO C C 13 177.740 177.740 179.054 -1.314 19613 6558 1 20 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.132 0.849 19613 6559 1 20 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.975 -0.555 19613 6560 1 20 . 1 1 14 14 GLY N N 14 103.910 103.910 105.859 -1.949 19613 6561 1 20 . 1 1 14 14 GLY C C 14 176.450 176.450 176.527 -0.077 19613 6562 1 20 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.756 0.444 19613 6563 1 20 . 1 1 14 14 GLY H H 14 7.620 7.620 8.423 -0.803 19613 6564 1 20 . 1 1 15 15 ILE N N 15 122.900 122.900 123.354 -0.454 19613 6565 1 20 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.540 -0.070 19613 6566 1 20 . 1 1 15 15 ILE C C 15 178.810 178.810 177.980 0.830 19613 6567 1 20 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.328 -0.588 19613 6568 1 20 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.813 0.967 19613 6569 1 20 . 1 1 15 15 ILE H H 15 7.660 7.660 7.672 -0.012 19613 6570 1 20 . 1 1 16 16 ILE N N 16 120.300 120.300 119.829 0.471 19613 6571 1 20 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.671 -0.341 19613 6572 1 20 . 1 1 16 16 ILE C C 16 176.680 176.680 177.985 -1.305 19613 6573 1 20 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.386 0.064 19613 6574 1 20 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.856 0.014 19613 6575 1 20 . 1 1 16 16 ILE H H 16 8.130 8.130 8.371 -0.241 19613 6576 1 20 . 1 1 17 17 LEU N N 17 120.680 120.680 121.152 -0.472 19613 6577 1 20 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.953 -0.093 19613 6578 1 20 . 1 1 17 17 LEU C C 17 177.830 177.830 178.307 -0.477 19613 6579 1 20 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.586 -0.026 19613 6580 1 20 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.506 0.134 19613 6581 1 20 . 1 1 17 17 LEU H H 17 8.560 8.560 8.267 0.293 19613 6582 1 20 . 1 1 18 18 ARG N N 18 116.160 116.160 118.326 -2.166 19613 6583 1 20 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.922 0.158 19613 6584 1 20 . 1 1 18 18 ARG C C 18 178.250 178.250 178.469 -0.219 19613 6585 1 20 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.441 -0.121 19613 6586 1 20 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.940 -0.350 19613 6587 1 20 . 1 1 18 18 ARG H H 18 7.580 7.580 7.896 -0.316 19613 6588 1 20 . 1 1 19 19 TYR N N 19 119.280 119.280 120.943 -1.663 19613 6589 1 20 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.201 0.149 19613 6590 1 20 . 1 1 19 19 TYR C C 19 177.480 177.480 177.923 -0.443 19613 6591 1 20 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.417 0.143 19613 6592 1 20 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.263 0.137 19613 6593 1 20 . 1 1 19 19 TYR H H 19 7.820 7.820 8.162 -0.342 19613 6594 1 20 . 1 1 20 20 LEU N N 20 117.650 117.650 118.648 -0.998 19613 6595 1 20 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.858 0.062 19613 6596 1 20 . 1 1 20 20 LEU C C 20 181.270 181.270 179.602 1.668 19613 6597 1 20 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.645 0.704 19613 6598 1 20 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.687 -0.057 19613 6599 1 20 . 1 1 20 20 LEU H H 20 8.610 8.610 8.704 -0.094 19613 6600 1 20 . 1 1 21 21 GLN N N 21 119.530 119.530 118.648 0.882 19613 6601 1 20 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.086 -0.166 19613 6602 1 20 . 1 1 21 21 GLN C C 21 177.950 177.950 178.269 -0.319 19613 6603 1 20 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.729 0.111 19613 6604 1 20 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.847 -0.447 19613 6605 1 20 . 1 1 21 21 GLN H H 21 8.630 8.630 8.109 0.521 19613 6606 1 20 . 1 1 22 22 GLU N N 22 118.500 118.500 118.849 -0.349 19613 6607 1 20 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.098 -0.088 19613 6608 1 20 . 1 1 22 22 GLU C C 22 178.790 178.790 178.256 0.534 19613 6609 1 20 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.614 0.016 19613 6610 1 20 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.883 -0.013 19613 6611 1 20 . 1 1 22 22 GLU H H 22 8.260 8.260 8.090 0.170 19613 6612 1 20 . 1 1 23 23 GLN N N 23 115.130 115.130 116.822 -1.692 19613 6613 1 20 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.269 -0.299 19613 6614 1 20 . 1 1 23 23 GLN C C 23 177.150 177.150 176.673 0.477 19613 6615 1 20 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.078 0.422 19613 6616 1 20 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.212 1.138 19613 6617 1 20 . 1 1 23 23 GLN H H 23 8.110 8.110 7.833 0.277 19613 6618 1 20 . 1 1 24 24 ASN N N 24 113.770 113.770 115.943 -2.173 19613 6619 1 20 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.385 0.165 19613 6620 1 20 . 1 1 24 24 ASN C C 24 173.280 173.280 173.887 -0.607 19613 6621 1 20 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.154 -0.294 19613 6622 1 20 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.581 0.259 19613 6623 1 20 . 1 1 24 24 ASN H H 24 8.000 8.000 8.231 -0.231 19613 6624 1 20 . 1 1 25 25 ARG N N 25 113.220 113.220 116.915 -3.695 19613 6625 1 20 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.709 0.021 19613 6626 1 20 . 1 1 25 25 ARG C C 25 172.740 172.740 173.511 -0.771 19613 6627 1 20 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.556 0.834 19613 6628 1 20 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.037 -0.537 19613 6629 1 20 . 1 1 25 25 ARG H H 25 7.100 7.100 7.741 -0.641 19613 6630 1 20 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.803 0.497 19613 6631 1 20 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.398 -1.068 19613 6632 1 20 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.086 0.604 19613 6633 1 20 . 1 1 27 27 TYR N N 27 118.560 118.560 122.618 -4.058 19613 6634 1 20 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.794 0.366 19613 6635 1 20 . 1 1 27 27 TYR C C 27 175.960 175.960 175.888 0.072 19613 6636 1 20 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.815 0.805 19613 6637 1 20 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.506 3.324 19613 6638 1 20 . 1 1 27 27 TYR H H 27 9.040 9.040 9.064 -0.024 19613 6639 1 20 . 1 1 28 28 SER N N 28 117.540 117.540 119.057 -1.517 19613 6640 1 20 . 1 1 28 28 SER HA H 28 5.290 5.290 4.973 0.317 19613 6641 1 20 . 1 1 28 28 SER C C 28 175.120 175.120 176.092 -0.972 19613 6642 1 20 . 1 1 28 28 SER CA C 28 56.790 56.790 57.660 -0.870 19613 6643 1 20 . 1 1 28 28 SER CB C 28 65.290 65.290 65.096 0.194 19613 6644 1 20 . 1 1 28 28 SER H H 28 9.590 9.590 9.279 0.311 19613 6645 1 20 . 1 1 29 29 ALA N N 29 122.480 122.480 123.301 -0.821 19613 6646 1 20 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.079 -0.189 19613 6647 1 20 . 1 1 29 29 ALA C C 29 179.570 179.570 180.026 -0.456 19613 6648 1 20 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.708 -0.018 19613 6649 1 20 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.691 0.249 19613 6650 1 20 . 1 1 29 29 ALA H H 29 9.830 9.830 8.753 1.077 19613 6651 1 20 . 1 1 30 30 GLN N N 30 116.680 116.680 117.379 -0.699 19613 6652 1 20 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.217 -0.217 19613 6653 1 20 . 1 1 30 30 GLN C C 30 178.110 178.110 178.416 -0.306 19613 6654 1 20 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.844 0.176 19613 6655 1 20 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.683 -0.773 19613 6656 1 20 . 1 1 30 30 GLN H H 30 8.580 8.580 8.415 0.165 19613 6657 1 20 . 1 1 31 31 ASP N N 31 120.540 120.540 121.809 -1.269 19613 6658 1 20 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.503 0.067 19613 6659 1 20 . 1 1 31 31 ASP C C 31 178.000 178.000 178.947 -0.947 19613 6660 1 20 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.556 -0.486 19613 6661 1 20 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.764 0.246 19613 6662 1 20 . 1 1 31 31 ASP H H 31 7.950 7.950 8.255 -0.305 19613 6663 1 20 . 1 1 32 32 VAL N N 32 120.050 120.050 119.595 0.455 19613 6664 1 20 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.477 -0.367 19613 6665 1 20 . 1 1 32 32 VAL C C 32 176.700 176.700 177.722 -1.022 19613 6666 1 20 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.105 1.575 19613 6667 1 20 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.842 -0.832 19613 6668 1 20 . 1 1 32 32 VAL H H 32 8.220 8.220 8.285 -0.065 19613 6669 1 20 . 1 1 33 33 PHE N N 33 116.980 116.980 121.496 -4.516 19613 6670 1 20 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.139 -0.009 19613 6671 1 20 . 1 1 33 33 PHE C C 33 177.340 177.340 177.163 0.177 19613 6672 1 20 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.800 -0.620 19613 6673 1 20 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.548 -0.128 19613 6674 1 20 . 1 1 33 33 PHE H H 33 8.290 8.290 7.711 0.579 19613 6675 1 20 . 1 1 34 34 GLY N N 34 105.970 105.970 105.665 0.305 19613 6676 1 20 . 1 1 34 34 GLY C C 34 176.440 176.440 176.103 0.337 19613 6677 1 20 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.087 -0.327 19613 6678 1 20 . 1 1 34 34 GLY H H 34 8.560 8.560 8.480 0.080 19613 6679 1 20 . 1 1 35 35 ASN N N 35 119.330 119.330 119.791 -0.461 19613 6680 1 20 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.485 0.015 19613 6681 1 20 . 1 1 35 35 ASN C C 35 177.080 177.080 177.178 -0.098 19613 6682 1 20 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.129 -0.549 19613 6683 1 20 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.452 -0.742 19613 6684 1 20 . 1 1 35 35 ASN H H 35 8.270 8.270 7.877 0.393 19613 6685 1 20 . 1 1 36 36 LEU N N 36 117.960 117.960 119.434 -1.474 19613 6686 1 20 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.335 0.145 19613 6687 1 20 . 1 1 36 36 LEU C C 36 177.990 177.990 178.416 -0.426 19613 6688 1 20 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.465 -0.375 19613 6689 1 20 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.270 1.000 19613 6690 1 20 . 1 1 36 36 LEU H H 36 7.450 7.450 7.825 -0.375 19613 6691 1 20 . 1 1 37 37 GLN N N 37 121.190 121.190 120.985 0.205 19613 6692 1 20 . 1 1 37 37 GLN HA H 37 3.850 3.850 4.133 -0.283 19613 6693 1 20 . 1 1 37 37 GLN C C 37 178.240 178.240 177.421 0.819 19613 6694 1 20 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.374 0.906 19613 6695 1 20 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.338 -0.358 19613 6696 1 20 . 1 1 37 37 GLN H H 37 7.310 7.310 8.109 -0.799 19613 6697 1 20 . 1 1 38 38 LYS N N 38 119.590 119.590 116.178 3.412 19613 6698 1 20 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.242 -0.382 19613 6699 1 20 . 1 1 38 38 LYS C C 38 178.090 178.090 177.655 0.435 19613 6700 1 20 . 1 1 38 38 LYS CA C 38 59.400 59.400 57.205 2.195 19613 6701 1 20 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.548 -0.848 19613 6702 1 20 . 1 1 38 38 LYS H H 38 8.500 8.500 7.751 0.749 19613 6703 1 20 . 1 1 39 39 GLU N N 39 116.720 116.720 119.390 -2.670 19613 6704 1 20 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.140 -0.220 19613 6705 1 20 . 1 1 39 39 GLU C C 39 176.580 176.580 177.683 -1.103 19613 6706 1 20 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.501 -0.251 19613 6707 1 20 . 1 1 39 39 GLU CB C 39 30.480 30.480 29.921 0.559 19613 6708 1 20 . 1 1 39 39 GLU H H 39 8.290 8.290 8.027 0.263 19613 6709 1 20 . 1 1 40 40 HIS N N 40 112.640 112.640 114.486 -1.846 19613 6710 1 20 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.767 -0.057 19613 6711 1 20 . 1 1 40 40 HIS C C 40 176.970 176.970 175.397 1.573 19613 6712 1 20 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.103 0.527 19613 6713 1 20 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.482 1.488 19613 6714 1 20 . 1 1 40 40 HIS H H 40 7.640 7.640 7.533 0.107 19613 6715 1 20 . 1 1 41 41 GLY N N 41 108.210 108.210 108.308 -0.098 19613 6716 1 20 . 1 1 41 41 GLY C C 41 174.560 174.560 174.121 0.439 19613 6717 1 20 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.349 1.831 19613 6718 1 20 . 1 1 41 41 GLY H H 41 8.100 8.100 8.099 0.001 19613 6719 1 20 . 1 1 42 42 LEU N N 42 117.300 117.300 121.355 -4.055 19613 6720 1 20 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.487 -0.177 19613 6721 1 20 . 1 1 42 42 LEU C C 42 177.790 177.790 177.362 0.428 19613 6722 1 20 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.697 -0.287 19613 6723 1 20 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.622 0.198 19613 6724 1 20 . 1 1 42 42 LEU H H 42 6.850 6.850 7.768 -0.918 19613 6725 1 20 . 1 1 43 43 GLY N N 43 109.450 109.450 109.138 0.312 19613 6726 1 20 . 1 1 43 43 GLY C C 43 173.630 173.630 174.550 -0.920 19613 6727 1 20 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.462 -0.121 19613 6728 1 20 . 1 1 43 43 GLY H H 43 8.690 8.690 8.373 0.317 19613 6729 1 20 . 1 1 44 44 LYS N N 44 123.130 123.130 120.717 2.413 19613 6730 1 20 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.122 0.058 19613 6731 1 20 . 1 1 44 44 LYS C C 44 177.960 177.960 178.502 -0.542 19613 6732 1 20 . 1 1 44 44 LYS CA C 44 60.450 60.450 58.941 1.509 19613 6733 1 20 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.810 -0.860 19613 6734 1 20 . 1 1 44 44 LYS H H 44 8.320 8.320 8.602 -0.282 19613 6735 1 20 . 1 1 45 45 ALA N N 45 119.150 119.150 121.476 -2.326 19613 6736 1 20 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.081 -0.111 19613 6737 1 20 . 1 1 45 45 ALA C C 45 180.320 180.320 179.442 0.878 19613 6738 1 20 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.687 0.293 19613 6739 1 20 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.837 -0.457 19613 6740 1 20 . 1 1 45 45 ALA H H 45 8.360 8.360 8.320 0.040 19613 6741 1 20 . 1 1 46 46 ALA N N 46 120.560 120.560 121.885 -1.325 19613 6742 1 20 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.099 -0.069 19613 6743 1 20 . 1 1 46 46 ALA C C 46 180.760 180.760 180.121 0.639 19613 6744 1 20 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.715 -0.185 19613 6745 1 20 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.203 -0.133 19613 6746 1 20 . 1 1 46 46 ALA H H 46 7.530 7.530 8.236 -0.706 19613 6747 1 20 . 1 1 47 47 VAL N N 47 120.280 120.280 118.981 1.299 19613 6748 1 20 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.518 -0.138 19613 6749 1 20 . 1 1 47 47 VAL C C 47 176.860 176.860 177.949 -1.089 19613 6750 1 20 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.594 0.126 19613 6751 1 20 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.910 -0.490 19613 6752 1 20 . 1 1 47 47 VAL H H 47 7.910 7.910 7.955 -0.045 19613 6753 1 20 . 1 1 48 48 VAL N N 48 119.370 119.370 120.085 -0.715 19613 6754 1 20 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.437 -0.087 19613 6755 1 20 . 1 1 48 48 VAL C C 48 178.200 178.200 177.890 0.310 19613 6756 1 20 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.060 -0.200 19613 6757 1 20 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.384 0.595 19613 6758 1 20 . 1 1 48 48 VAL H H 48 8.240 8.240 8.103 0.137 19613 6759 1 20 . 1 1 49 49 LYS N N 49 117.640 117.640 119.004 -1.364 19613 6760 1 20 . 1 1 49 49 LYS HA H 49 4.080 4.080 4.013 0.067 19613 6761 1 20 . 1 1 49 49 LYS C C 49 178.920 178.920 178.901 0.019 19613 6762 1 20 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.463 -0.473 19613 6763 1 20 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.217 0.303 19613 6764 1 20 . 1 1 49 49 LYS H H 49 7.830 7.830 8.108 -0.278 19613 6765 1 20 . 1 1 50 50 ALA N N 50 120.810 120.810 122.833 -2.023 19613 6766 1 20 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.119 -0.059 19613 6767 1 20 . 1 1 50 50 ALA C C 50 179.390 179.390 179.623 -0.233 19613 6768 1 20 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.862 -0.062 19613 6769 1 20 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.073 0.927 19613 6770 1 20 . 1 1 50 50 ALA H H 50 7.920 7.920 7.765 0.155 19613 6771 1 20 . 1 1 51 51 LEU N N 51 118.510 118.510 118.784 -0.274 19613 6772 1 20 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.643 -0.083 19613 6773 1 20 . 1 1 51 51 LEU C C 51 177.800 177.800 178.631 -0.831 19613 6774 1 20 . 1 1 51 51 LEU CA C 51 58.210 58.210 57.926 0.284 19613 6775 1 20 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.080 -0.790 19613 6776 1 20 . 1 1 51 51 LEU H H 51 8.210 8.210 8.204 0.006 19613 6777 1 20 . 1 1 52 52 ASP N N 52 116.940 116.940 118.373 -1.433 19613 6778 1 20 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.611 -0.091 19613 6779 1 20 . 1 1 52 52 ASP C C 52 178.800 178.800 178.919 -0.119 19613 6780 1 20 . 1 1 52 52 ASP CA C 52 57.400 57.400 56.893 0.507 19613 6781 1 20 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.435 0.475 19613 6782 1 20 . 1 1 52 52 ASP H H 52 7.710 7.710 7.785 -0.075 19613 6783 1 20 . 1 1 53 53 GLN N N 53 120.360 120.360 121.106 -0.746 19613 6784 1 20 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.124 -0.144 19613 6785 1 20 . 1 1 53 53 GLN C C 53 178.310 178.310 178.345 -0.035 19613 6786 1 20 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.461 0.909 19613 6787 1 20 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.328 0.012 19613 6788 1 20 . 1 1 53 53 GLN H H 53 8.200 8.200 8.003 0.197 19613 6789 1 20 . 1 1 54 54 LEU N N 54 118.990 118.990 119.472 -0.482 19613 6790 1 20 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.079 -0.099 19613 6791 1 20 . 1 1 54 54 LEU C C 54 179.660 179.660 178.919 0.741 19613 6792 1 20 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.719 0.031 19613 6793 1 20 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.693 1.747 19613 6794 1 20 . 1 1 54 54 LEU H H 54 8.500 8.500 8.405 0.095 19613 6795 1 20 . 1 1 55 55 ALA N N 55 122.270 122.270 120.825 1.445 19613 6796 1 20 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.374 -0.004 19613 6797 1 20 . 1 1 55 55 ALA C C 55 181.940 181.940 179.764 2.176 19613 6798 1 20 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.463 0.247 19613 6799 1 20 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.547 -0.957 19613 6800 1 20 . 1 1 55 55 ALA H H 55 8.350 8.350 7.788 0.562 19613 6801 1 20 . 1 1 56 56 GLN N N 56 122.320 122.320 118.295 4.025 19613 6802 1 20 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.095 -0.025 19613 6803 1 20 . 1 1 56 56 GLN C C 56 178.840 178.840 178.331 0.509 19613 6804 1 20 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.045 1.135 19613 6805 1 20 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.652 -0.602 19613 6806 1 20 . 1 1 56 56 GLN H H 56 8.610 8.610 8.049 0.561 19613 6807 1 20 . 1 1 57 57 GLU N N 57 115.890 115.890 116.478 -0.588 19613 6808 1 20 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.205 0.015 19613 6809 1 20 . 1 1 57 57 GLU C C 57 177.000 177.000 177.249 -0.249 19613 6810 1 20 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.745 -0.065 19613 6811 1 20 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.290 0.501 19613 6812 1 20 . 1 1 57 57 GLU H H 57 8.060 8.060 7.890 0.170 19613 6813 1 20 . 1 1 58 58 GLY N N 58 107.440 107.440 105.957 1.483 19613 6814 1 20 . 1 1 58 58 GLY C C 58 174.340 174.340 175.194 -0.854 19613 6815 1 20 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.296 0.284 19613 6816 1 20 . 1 1 58 58 GLY H H 58 7.920 7.920 7.985 -0.065 19613 6817 1 20 . 1 1 59 59 LYS N N 59 118.190 118.190 119.263 -1.073 19613 6818 1 20 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.418 -0.258 19613 6819 1 20 . 1 1 59 59 LYS C C 59 176.150 176.150 176.437 -0.287 19613 6820 1 20 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.023 0.767 19613 6821 1 20 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.422 0.758 19613 6822 1 20 . 1 1 59 59 LYS H H 59 8.170 8.170 8.690 -0.520 19613 6823 1 20 . 1 1 60 60 ILE N N 60 107.860 107.860 112.905 -5.045 19613 6824 1 20 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.416 0.154 19613 6825 1 20 . 1 1 60 60 ILE C C 60 172.900 172.900 174.109 -1.209 19613 6826 1 20 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.355 -0.815 19613 6827 1 20 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.260 -0.350 19613 6828 1 20 . 1 1 60 60 ILE H H 60 7.140 7.140 7.283 -0.143 19613 6829 1 20 . 1 1 61 61 LYS N N 61 119.750 119.750 121.062 -1.312 19613 6830 1 20 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.570 -0.160 19613 6831 1 20 . 1 1 61 61 LYS C C 61 173.930 173.930 175.083 -1.153 19613 6832 1 20 . 1 1 61 61 LYS CA C 61 54.260 54.260 53.923 0.337 19613 6833 1 20 . 1 1 61 61 LYS CB C 61 34.670 34.670 34.354 0.316 19613 6834 1 20 . 1 1 61 61 LYS H H 61 8.670 8.670 8.487 0.183 19613 6835 1 20 . 1 1 62 62 GLU N N 62 117.580 117.580 118.856 -1.276 19613 6836 1 20 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.058 0.082 19613 6837 1 20 . 1 1 62 62 GLU C C 62 175.630 175.630 175.386 0.244 19613 6838 1 20 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.518 -0.938 19613 6839 1 20 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.721 1.189 19613 6840 1 20 . 1 1 62 62 GLU H H 62 8.130 8.130 8.348 -0.218 19613 6841 1 20 . 1 1 63 63 LYS N N 63 122.890 122.890 123.683 -0.793 19613 6842 1 20 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.652 -0.102 19613 6843 1 20 . 1 1 63 63 LYS C C 63 174.510 174.510 175.274 -0.764 19613 6844 1 20 . 1 1 63 63 LYS CA C 63 55.010 55.010 55.170 -0.160 19613 6845 1 20 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.395 -0.115 19613 6846 1 20 . 1 1 63 63 LYS H H 63 8.880 8.880 8.837 0.043 19613 6847 1 20 . 1 1 64 64 THR N N 64 117.560 117.560 119.942 -2.382 19613 6848 1 20 . 1 1 64 64 THR HA H 64 4.760 4.760 4.707 0.053 19613 6849 1 20 . 1 1 64 64 THR C C 64 173.870 173.870 173.926 -0.056 19613 6850 1 20 . 1 1 64 64 THR CA C 64 62.120 62.120 62.389 -0.269 19613 6851 1 20 . 1 1 64 64 THR CB C 64 69.740 69.740 69.345 0.395 19613 6852 1 20 . 1 1 64 64 THR H H 64 8.410 8.410 8.474 -0.064 19613 6853 1 20 . 1 1 65 65 TYR N N 65 127.630 127.630 128.368 -0.738 19613 6854 1 20 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.510 0.200 19613 6855 1 20 . 1 1 65 65 TYR C C 65 175.780 175.780 176.124 -0.344 19613 6856 1 20 . 1 1 65 65 TYR CA C 65 56.530 56.530 57.019 -0.489 19613 6857 1 20 . 1 1 65 65 TYR CB C 65 39.220 39.220 37.716 1.504 19613 6858 1 20 . 1 1 65 65 TYR H H 65 8.770 8.770 8.778 -0.008 19613 6859 1 20 . 1 1 67 67 LYS N N 67 120.220 120.220 124.070 -3.850 19613 6860 1 20 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.416 -0.216 19613 6861 1 20 . 1 1 67 67 LYS C C 67 175.890 175.890 176.393 -0.503 19613 6862 1 20 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.297 0.003 19613 6863 1 20 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.055 -0.875 19613 6864 1 20 . 1 1 67 67 LYS H H 67 8.110 8.110 8.531 -0.421 19613 6865 1 20 . 1 1 68 68 GLN N N 68 119.090 119.090 119.151 -0.061 19613 6866 1 20 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.747 -0.067 19613 6867 1 20 . 1 1 68 68 GLN C C 68 174.080 174.080 174.485 -0.405 19613 6868 1 20 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.398 0.402 19613 6869 1 20 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.473 0.117 19613 6870 1 20 . 1 1 68 68 GLN H H 68 7.920 7.920 7.560 0.360 19613 6871 1 20 . 1 1 69 69 LYS N N 69 123.400 123.400 120.063 3.337 19613 6872 1 20 . 1 1 69 69 LYS HA H 69 4.740 4.740 5.079 -0.339 19613 6873 1 20 . 1 1 69 69 LYS C C 69 175.820 175.820 175.378 0.442 19613 6874 1 20 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.455 0.635 19613 6875 1 20 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.817 -1.907 19613 6876 1 20 . 1 1 69 69 LYS H H 69 8.370 8.370 8.488 -0.118 19613 6877 1 20 . 1 1 70 70 ILE N N 70 120.640 120.640 121.115 -0.475 19613 6878 1 20 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.713 -0.153 19613 6879 1 20 . 1 1 70 70 ILE C C 70 173.330 173.330 174.208 -0.878 19613 6880 1 20 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.476 -1.426 19613 6881 1 20 . 1 1 70 70 ILE CB C 70 40.680 40.680 41.313 -0.633 19613 6882 1 20 . 1 1 70 70 ILE H H 70 8.780 8.780 8.965 -0.185 19613 6883 1 20 . 1 1 71 71 TYR N N 71 120.200 120.200 124.866 -4.666 19613 6884 1 20 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.572 0.018 19613 6885 1 20 . 1 1 71 71 TYR C C 71 175.840 175.840 175.214 0.626 19613 6886 1 20 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.989 0.821 19613 6887 1 20 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.563 0.957 19613 6888 1 20 . 1 1 71 71 TYR H H 71 8.810 8.810 9.323 -0.513 19613 6889 1 20 . 1 1 72 72 PHE N N 72 113.950 113.950 116.774 -2.824 19613 6890 1 20 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.191 -0.191 19613 6891 1 20 . 1 1 72 72 PHE C C 72 172.950 172.950 173.531 -0.581 19613 6892 1 20 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.940 -0.230 19613 6893 1 20 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.081 -2.031 19613 6894 1 20 . 1 1 72 72 PHE H H 72 8.470 8.470 8.770 -0.300 19613 6895 1 20 . 1 1 73 73 ALA N N 73 123.890 123.890 123.566 0.324 19613 6896 1 20 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.272 0.268 19613 6897 1 20 . 1 1 73 73 ALA C C 73 176.090 176.090 176.463 -0.373 19613 6898 1 20 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.963 -0.493 19613 6899 1 20 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.658 0.322 19613 6900 1 20 . 1 1 73 73 ALA H H 73 8.850 8.850 8.879 -0.029 19613 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 58 2.005 0.957 1.777 19613 2 1 1 "Average Difference" HA 65 0.198 0.013 0.200 19613 3 1 1 "Average Difference" C 59 0.741 0.141 0.734 19613 4 1 1 "Average Difference" CA 60 0.659 -0.099 0.657 19613 5 1 1 "Average Difference" CB 55 0.866 -0.053 0.872 19613 6 1 1 "Average Difference" HN 58 0.356 0.034 0.357 19613 7 1 2 "Average Difference" N 58 2.121 1.080 1.841 19613 8 1 2 "Average Difference" HA 65 0.204 -0.005 0.206 19613 9 1 2 "Average Difference" C 59 0.742 0.142 0.735 19613 10 1 2 "Average Difference" CA 60 0.666 -0.049 0.670 19613 11 1 2 "Average Difference" CB 55 0.866 -0.083 0.870 19613 12 1 2 "Average Difference" HN 58 0.393 0.018 0.396 19613 13 1 3 "Average Difference" N 58 2.048 0.957 1.827 19613 14 1 3 "Average Difference" HA 65 0.216 0.033 0.215 19613 15 1 3 "Average Difference" C 59 0.750 0.108 0.748 19613 16 1 3 "Average Difference" CA 60 0.649 -0.134 0.640 19613 17 1 3 "Average Difference" CB 55 0.880 -0.035 0.888 19613 18 1 3 "Average Difference" HN 58 0.321 0.034 0.322 19613 19 1 4 "Average Difference" N 58 2.223 1.077 1.962 19613 20 1 4 "Average Difference" HA 65 0.210 0.016 0.211 19613 21 1 4 "Average Difference" C 59 0.738 0.126 0.734 19613 22 1 4 "Average Difference" CA 60 0.678 -0.086 0.678 19613 23 1 4 "Average Difference" CB 55 0.892 -0.045 0.899 19613 24 1 4 "Average Difference" HN 58 0.377 0.041 0.378 19613 25 1 5 "Average Difference" N 58 2.082 0.906 1.891 19613 26 1 5 "Average Difference" HA 65 0.204 0.009 0.205 19613 27 1 5 "Average Difference" C 59 0.737 0.097 0.737 19613 28 1 5 "Average Difference" CA 60 0.659 -0.107 0.656 19613 29 1 5 "Average Difference" CB 55 0.833 -0.033 0.840 19613 30 1 5 "Average Difference" HN 58 0.379 -0.008 0.382 19613 31 1 6 "Average Difference" N 58 2.128 0.996 1.897 19613 32 1 6 "Average Difference" HA 65 0.210 0.006 0.211 19613 33 1 6 "Average Difference" C 59 0.731 0.126 0.726 19613 34 1 6 "Average Difference" CA 60 0.663 -0.096 0.662 19613 35 1 6 "Average Difference" CB 55 0.817 -0.039 0.823 19613 36 1 6 "Average Difference" HN 58 0.386 0.027 0.388 19613 37 1 7 "Average Difference" N 58 2.232 1.116 1.949 19613 38 1 7 "Average Difference" HA 65 0.205 0.013 0.206 19613 39 1 7 "Average Difference" C 59 0.772 0.143 0.765 19613 40 1 7 "Average Difference" CA 60 0.695 -0.057 0.699 19613 41 1 7 "Average Difference" CB 55 0.833 -0.049 0.839 19613 42 1 7 "Average Difference" HN 58 0.364 0.013 0.367 19613 43 1 8 "Average Difference" N 58 2.053 0.970 1.825 19613 44 1 8 "Average Difference" HA 65 0.216 0.019 0.216 19613 45 1 8 "Average Difference" C 59 0.760 0.191 0.742 19613 46 1 8 "Average Difference" CA 60 0.668 -0.073 0.669 19613 47 1 8 "Average Difference" CB 55 0.913 -0.060 0.919 19613 48 1 8 "Average Difference" HN 58 0.410 0.029 0.412 19613 49 1 9 "Average Difference" N 58 2.043 1.040 1.774 19613 50 1 9 "Average Difference" HA 65 0.209 0.007 0.210 19613 51 1 9 "Average Difference" C 59 0.783 0.134 0.778 19613 52 1 9 "Average Difference" CA 60 0.687 -0.097 0.686 19613 53 1 9 "Average Difference" CB 55 0.827 -0.061 0.832 19613 54 1 9 "Average Difference" HN 58 0.387 0.018 0.390 19613 55 1 10 "Average Difference" N 58 2.168 1.036 1.920 19613 56 1 10 "Average Difference" HA 65 0.200 0.017 0.201 19613 57 1 10 "Average Difference" C 59 0.750 0.160 0.739 19613 58 1 10 "Average Difference" CA 60 0.682 -0.065 0.685 19613 59 1 10 "Average Difference" CB 55 0.885 -0.050 0.892 19613 60 1 10 "Average Difference" HN 58 0.400 0.006 0.404 19613 61 1 11 "Average Difference" N 58 2.172 1.042 1.922 19613 62 1 11 "Average Difference" HA 65 0.210 0.010 0.212 19613 63 1 11 "Average Difference" C 59 0.738 0.114 0.736 19613 64 1 11 "Average Difference" CA 60 0.685 -0.109 0.682 19613 65 1 11 "Average Difference" CB 55 0.864 -0.077 0.869 19613 66 1 11 "Average Difference" HN 58 0.382 0.021 0.385 19613 67 1 12 "Average Difference" N 58 2.303 1.020 2.083 19613 68 1 12 "Average Difference" HA 65 0.204 0.011 0.205 19613 69 1 12 "Average Difference" C 59 0.774 0.138 0.768 19613 70 1 12 "Average Difference" CA 60 0.654 -0.115 0.649 19613 71 1 12 "Average Difference" CB 55 0.869 -0.081 0.873 19613 72 1 12 "Average Difference" HN 58 0.416 -0.011 0.420 19613 73 1 13 "Average Difference" N 58 2.137 1.035 1.886 19613 74 1 13 "Average Difference" HA 65 0.205 0.012 0.206 19613 75 1 13 "Average Difference" C 59 0.762 0.142 0.755 19613 76 1 13 "Average Difference" CA 60 0.669 -0.072 0.671 19613 77 1 13 "Average Difference" CB 55 0.862 -0.054 0.868 19613 78 1 13 "Average Difference" HN 58 0.412 0.011 0.415 19613 79 1 14 "Average Difference" N 58 2.296 1.172 1.991 19613 80 1 14 "Average Difference" HA 65 0.209 0.014 0.210 19613 81 1 14 "Average Difference" C 59 0.743 0.174 0.729 19613 82 1 14 "Average Difference" CA 60 0.659 -0.095 0.658 19613 83 1 14 "Average Difference" CB 55 0.872 -0.073 0.877 19613 84 1 14 "Average Difference" HN 58 0.367 0.020 0.370 19613 85 1 15 "Average Difference" N 58 2.314 1.193 2.001 19613 86 1 15 "Average Difference" HA 65 0.206 -0.002 0.207 19613 87 1 15 "Average Difference" C 59 0.752 0.075 0.755 19613 88 1 15 "Average Difference" CA 60 0.694 -0.084 0.695 19613 89 1 15 "Average Difference" CB 55 0.828 -0.050 0.835 19613 90 1 15 "Average Difference" HN 58 0.365 0.020 0.368 19613 91 1 16 "Average Difference" N 58 2.190 1.067 1.930 19613 92 1 16 "Average Difference" HA 65 0.211 0.010 0.212 19613 93 1 16 "Average Difference" C 59 0.764 0.175 0.751 19613 94 1 16 "Average Difference" CA 60 0.686 -0.109 0.683 19613 95 1 16 "Average Difference" CB 55 0.881 -0.048 0.887 19613 96 1 16 "Average Difference" HN 58 0.390 0.014 0.393 19613 97 1 17 "Average Difference" N 58 2.227 1.204 1.890 19613 98 1 17 "Average Difference" HA 65 0.199 0.026 0.199 19613 99 1 17 "Average Difference" C 59 0.790 0.141 0.784 19613 100 1 17 "Average Difference" CA 60 0.656 -0.105 0.653 19613 101 1 17 "Average Difference" CB 55 0.930 -0.137 0.929 19613 102 1 17 "Average Difference" HN 58 0.396 0.033 0.398 19613 103 1 18 "Average Difference" N 58 2.116 1.079 1.837 19613 104 1 18 "Average Difference" HA 65 0.213 0.024 0.213 19613 105 1 18 "Average Difference" C 59 0.763 0.173 0.750 19613 106 1 18 "Average Difference" CA 60 0.697 -0.126 0.691 19613 107 1 18 "Average Difference" CB 55 0.921 -0.086 0.925 19613 108 1 18 "Average Difference" HN 58 0.412 0.042 0.413 19613 109 1 19 "Average Difference" N 58 2.204 1.098 1.928 19613 110 1 19 "Average Difference" HA 65 0.204 0.008 0.205 19613 111 1 19 "Average Difference" C 59 0.757 0.076 0.760 19613 112 1 19 "Average Difference" CA 60 0.670 -0.118 0.665 19613 113 1 19 "Average Difference" CB 55 0.869 -0.096 0.872 19613 114 1 19 "Average Difference" HN 58 0.386 0.013 0.389 19613 115 1 20 "Average Difference" N 58 2.102 0.940 1.896 19613 116 1 20 "Average Difference" HA 65 0.206 0.020 0.207 19613 117 1 20 "Average Difference" C 59 0.759 0.134 0.754 19613 118 1 20 "Average Difference" CA 60 0.705 -0.135 0.698 19613 119 1 20 "Average Difference" CB 55 0.891 -0.087 0.895 19613 120 1 20 "Average Difference" HN 58 0.385 0.023 0.388 19613 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 19613 _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 13 13 PRO HA H 13 3.960 3.960 4.162 -0.202 19613 2 1 . 1 1 13 13 PRO C C 13 177.740 177.740 179.059 -1.319 19613 3 1 . 1 1 13 13 PRO CA C 13 66.980 66.980 66.148 0.832 19613 4 1 . 1 1 13 13 PRO CB C 13 30.420 30.420 30.972 -0.552 19613 5 1 . 1 1 14 14 GLY N N 14 103.910 103.910 105.794 -1.884 19613 6 1 . 1 1 14 14 GLY C C 14 176.450 176.450 176.531 -0.081 19613 7 1 . 1 1 14 14 GLY CA C 14 47.200 47.200 46.739 0.461 19613 8 1 . 1 1 14 14 GLY H H 14 7.620 7.620 8.388 -0.768 19613 9 1 . 1 1 15 15 ILE N N 15 122.900 122.900 123.357 -0.457 19613 10 1 . 1 1 15 15 ILE HA H 15 3.470 3.470 3.558 -0.088 19613 11 1 . 1 1 15 15 ILE C C 15 178.810 178.810 177.965 0.845 19613 12 1 . 1 1 15 15 ILE CA C 15 64.740 64.740 65.339 -0.599 19613 13 1 . 1 1 15 15 ILE CB C 15 38.780 38.780 37.800 0.980 19613 14 1 . 1 1 15 15 ILE H H 15 7.660 7.660 7.678 -0.018 19613 15 1 . 1 1 16 16 ILE N N 16 120.300 120.300 119.856 0.444 19613 16 1 . 1 1 16 16 ILE HA H 16 3.330 3.330 3.684 -0.354 19613 17 1 . 1 1 16 16 ILE C C 16 176.680 176.680 178.007 -1.327 19613 18 1 . 1 1 16 16 ILE CA C 16 65.450 65.450 65.419 0.031 19613 19 1 . 1 1 16 16 ILE CB C 16 37.870 37.870 37.862 0.008 19613 20 1 . 1 1 16 16 ILE H H 16 8.130 8.130 8.363 -0.233 19613 21 1 . 1 1 17 17 LEU N N 17 120.680 120.680 121.131 -0.451 19613 22 1 . 1 1 17 17 LEU HA H 17 3.860 3.860 3.976 -0.116 19613 23 1 . 1 1 17 17 LEU C C 17 177.830 177.830 178.424 -0.594 19613 24 1 . 1 1 17 17 LEU CA C 17 58.560 58.560 58.551 0.009 19613 25 1 . 1 1 17 17 LEU CB C 17 41.640 41.640 41.575 0.065 19613 26 1 . 1 1 17 17 LEU H H 17 8.560 8.560 8.226 0.334 19613 27 1 . 1 1 18 18 ARG N N 18 116.160 116.160 118.315 -2.155 19613 28 1 . 1 1 18 18 ARG HA H 18 4.080 4.080 3.957 0.123 19613 29 1 . 1 1 18 18 ARG C C 18 178.250 178.250 178.529 -0.279 19613 30 1 . 1 1 18 18 ARG CA C 18 59.320 59.320 59.425 -0.105 19613 31 1 . 1 1 18 18 ARG CB C 18 29.590 29.590 29.969 -0.379 19613 32 1 . 1 1 18 18 ARG H H 18 7.580 7.580 7.965 -0.385 19613 33 1 . 1 1 19 19 TYR N N 19 119.280 119.280 121.449 -2.169 19613 34 1 . 1 1 19 19 TYR HA H 19 4.350 4.350 4.211 0.139 19613 35 1 . 1 1 19 19 TYR C C 19 177.480 177.480 177.837 -0.357 19613 36 1 . 1 1 19 19 TYR CA C 19 61.560 61.560 61.452 0.108 19613 37 1 . 1 1 19 19 TYR CB C 19 38.400 38.400 38.272 0.128 19613 38 1 . 1 1 19 19 TYR H H 19 7.820 7.820 8.163 -0.342 19613 39 1 . 1 1 20 20 LEU N N 20 117.650 117.650 118.573 -0.923 19613 40 1 . 1 1 20 20 LEU HA H 20 3.920 3.920 3.874 0.046 19613 41 1 . 1 1 20 20 LEU C C 20 181.270 181.270 179.587 1.683 19613 42 1 . 1 1 20 20 LEU CA C 20 58.350 58.350 57.475 0.875 19613 43 1 . 1 1 20 20 LEU CB C 20 41.630 41.630 41.699 -0.069 19613 44 1 . 1 1 20 20 LEU H H 20 8.610 8.610 8.668 -0.058 19613 45 1 . 1 1 21 21 GLN N N 21 119.530 119.530 118.859 0.671 19613 46 1 . 1 1 21 21 GLN HA H 21 3.920 3.920 4.097 -0.177 19613 47 1 . 1 1 21 21 GLN C C 21 177.950 177.950 178.143 -0.193 19613 48 1 . 1 1 21 21 GLN CA C 21 58.840 58.840 58.587 0.253 19613 49 1 . 1 1 21 21 GLN CB C 21 28.400 28.400 28.764 -0.364 19613 50 1 . 1 1 21 21 GLN H H 21 8.630 8.630 8.166 0.464 19613 51 1 . 1 1 22 22 GLU N N 22 118.500 118.500 118.906 -0.406 19613 52 1 . 1 1 22 22 GLU HA H 22 4.010 4.010 4.102 -0.092 19613 53 1 . 1 1 22 22 GLU C C 22 178.790 178.790 178.298 0.492 19613 54 1 . 1 1 22 22 GLU CA C 22 58.630 58.630 58.546 0.084 19613 55 1 . 1 1 22 22 GLU CB C 22 29.870 29.870 29.918 -0.048 19613 56 1 . 1 1 22 22 GLU H H 22 8.260 8.260 8.100 0.161 19613 57 1 . 1 1 23 23 GLN N N 23 115.130 115.130 116.684 -1.554 19613 58 1 . 1 1 23 23 GLN HA H 23 3.970 3.970 4.263 -0.292 19613 59 1 . 1 1 23 23 GLN C C 23 177.150 177.150 176.590 0.560 19613 60 1 . 1 1 23 23 GLN CA C 23 56.500 56.500 56.162 0.338 19613 61 1 . 1 1 23 23 GLN CB C 23 30.350 30.350 29.267 1.083 19613 62 1 . 1 1 23 23 GLN H H 23 8.110 8.110 7.813 0.297 19613 63 1 . 1 1 24 24 ASN N N 24 113.770 113.770 115.391 -1.621 19613 64 1 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.370 0.180 19613 65 1 . 1 1 24 24 ASN C C 24 173.280 173.280 173.938 -0.658 19613 66 1 . 1 1 24 24 ASN CA C 24 53.860 53.860 54.213 -0.353 19613 67 1 . 1 1 24 24 ASN CB C 24 37.840 37.840 37.449 0.391 19613 68 1 . 1 1 24 24 ASN H H 24 8.000 8.000 8.202 -0.202 19613 69 1 . 1 1 25 25 ARG N N 25 113.220 113.220 117.293 -4.073 19613 70 1 . 1 1 25 25 ARG HA H 25 4.730 4.730 4.681 0.049 19613 71 1 . 1 1 25 25 ARG C C 25 172.740 172.740 173.440 -0.700 19613 72 1 . 1 1 25 25 ARG CA C 25 53.390 53.390 52.668 0.722 19613 73 1 . 1 1 25 25 ARG CB C 25 31.500 31.500 32.046 -0.546 19613 74 1 . 1 1 25 25 ARG H H 25 7.100 7.100 7.707 -0.607 19613 75 1 . 1 1 26 26 PRO HA H 26 5.300 5.300 4.790 0.510 19613 76 1 . 1 1 26 26 PRO CA C 26 61.330 61.330 62.422 -1.092 19613 77 1 . 1 1 26 26 PRO CB C 26 32.690 32.690 32.092 0.598 19613 78 1 . 1 1 27 27 TYR N N 27 118.560 118.560 122.632 -4.072 19613 79 1 . 1 1 27 27 TYR HA H 27 5.160 5.160 4.790 0.370 19613 80 1 . 1 1 27 27 TYR C C 27 175.960 175.960 175.868 0.092 19613 81 1 . 1 1 27 27 TYR CA C 27 57.620 57.620 56.873 0.747 19613 82 1 . 1 1 27 27 TYR CB C 27 45.830 45.830 42.643 3.187 19613 83 1 . 1 1 27 27 TYR H H 27 9.040 9.040 8.995 0.045 19613 84 1 . 1 1 28 28 SER N N 28 117.540 117.540 118.789 -1.249 19613 85 1 . 1 1 28 28 SER HA H 28 5.290 5.290 5.025 0.265 19613 86 1 . 1 1 28 28 SER C C 28 175.120 175.120 176.105 -0.985 19613 87 1 . 1 1 28 28 SER CA C 28 56.790 56.790 57.670 -0.880 19613 88 1 . 1 1 28 28 SER CB C 28 65.290 65.290 65.103 0.187 19613 89 1 . 1 1 28 28 SER H H 28 9.590 9.590 9.106 0.484 19613 90 1 . 1 1 29 29 ALA N N 29 122.480 122.480 123.470 -0.990 19613 91 1 . 1 1 29 29 ALA HA H 29 3.890 3.890 4.082 -0.192 19613 92 1 . 1 1 29 29 ALA C C 29 179.570 179.570 180.006 -0.436 19613 93 1 . 1 1 29 29 ALA CA C 29 55.690 55.690 55.727 -0.037 19613 94 1 . 1 1 29 29 ALA CB C 29 18.940 18.940 18.667 0.273 19613 95 1 . 1 1 29 29 ALA H H 29 9.830 9.830 8.874 0.956 19613 96 1 . 1 1 30 30 GLN N N 30 116.680 116.680 117.466 -0.786 19613 97 1 . 1 1 30 30 GLN HA H 30 4.000 4.000 4.204 -0.204 19613 98 1 . 1 1 30 30 GLN C C 30 178.110 178.110 178.471 -0.361 19613 99 1 . 1 1 30 30 GLN CA C 30 59.020 59.020 58.825 0.195 19613 100 1 . 1 1 30 30 GLN CB C 30 27.910 27.910 28.630 -0.720 19613 101 1 . 1 1 30 30 GLN H H 30 8.580 8.580 8.361 0.219 19613 102 1 . 1 1 31 31 ASP N N 31 120.540 120.540 121.649 -1.109 19613 103 1 . 1 1 31 31 ASP HA H 31 4.570 4.570 4.512 0.058 19613 104 1 . 1 1 31 31 ASP C C 31 178.000 178.000 178.961 -0.961 19613 105 1 . 1 1 31 31 ASP CA C 31 57.070 57.070 57.496 -0.426 19613 106 1 . 1 1 31 31 ASP CB C 31 41.010 41.010 40.772 0.238 19613 107 1 . 1 1 31 31 ASP H H 31 7.950 7.950 8.199 -0.249 19613 108 1 . 1 1 32 32 VAL N N 32 120.050 120.050 119.733 0.317 19613 109 1 . 1 1 32 32 VAL HA H 32 3.110 3.110 3.454 -0.344 19613 110 1 . 1 1 32 32 VAL C C 32 176.700 176.700 177.669 -0.969 19613 111 1 . 1 1 32 32 VAL CA C 32 67.680 67.680 66.172 1.508 19613 112 1 . 1 1 32 32 VAL CB C 32 31.010 31.010 31.850 -0.840 19613 113 1 . 1 1 32 32 VAL H H 32 8.220 8.220 8.355 -0.135 19613 114 1 . 1 1 33 33 PHE N N 33 116.980 116.980 121.303 -4.323 19613 115 1 . 1 1 33 33 PHE HA H 33 4.130 4.130 4.122 0.008 19613 116 1 . 1 1 33 33 PHE C C 33 177.340 177.340 177.172 0.168 19613 117 1 . 1 1 33 33 PHE CA C 33 60.180 60.180 60.989 -0.809 19613 118 1 . 1 1 33 33 PHE CB C 33 38.420 38.420 38.619 -0.199 19613 119 1 . 1 1 33 33 PHE H H 33 8.290 8.290 7.796 0.494 19613 120 1 . 1 1 34 34 GLY N N 34 105.970 105.970 105.810 0.160 19613 121 1 . 1 1 34 34 GLY C C 34 176.440 176.440 176.053 0.387 19613 122 1 . 1 1 34 34 GLY CA C 34 46.760 46.760 47.130 -0.370 19613 123 1 . 1 1 34 34 GLY H H 34 8.560 8.560 8.551 0.009 19613 124 1 . 1 1 35 35 ASN N N 35 119.330 119.330 120.064 -0.734 19613 125 1 . 1 1 35 35 ASN HA H 35 4.500 4.500 4.492 0.008 19613 126 1 . 1 1 35 35 ASN C C 35 177.080 177.080 177.253 -0.173 19613 127 1 . 1 1 35 35 ASN CA C 35 54.580 54.580 55.139 -0.559 19613 128 1 . 1 1 35 35 ASN CB C 35 37.710 37.710 38.446 -0.736 19613 129 1 . 1 1 35 35 ASN H H 35 8.270 8.270 7.868 0.402 19613 130 1 . 1 1 36 36 LEU N N 36 117.960 117.960 119.432 -1.472 19613 131 1 . 1 1 36 36 LEU HA H 36 4.480 4.480 4.342 0.138 19613 132 1 . 1 1 36 36 LEU C C 36 177.990 177.990 178.391 -0.401 19613 133 1 . 1 1 36 36 LEU CA C 36 55.090 55.090 55.632 -0.542 19613 134 1 . 1 1 36 36 LEU CB C 36 42.270 42.270 41.268 1.002 19613 135 1 . 1 1 36 36 LEU H H 36 7.450 7.450 7.836 -0.386 19613 136 1 . 1 1 37 37 GLN N N 37 121.190 121.190 120.986 0.204 19613 137 1 . 1 1 37 37 GLN HA H 37 3.850 3.850 3.961 -0.111 19613 138 1 . 1 1 37 37 GLN C C 37 178.240 178.240 177.787 0.453 19613 139 1 . 1 1 37 37 GLN CA C 37 60.280 60.280 59.300 0.980 19613 140 1 . 1 1 37 37 GLN CB C 37 27.980 27.980 28.258 -0.278 19613 141 1 . 1 1 37 37 GLN H H 37 7.310 7.310 8.172 -0.862 19613 142 1 . 1 1 38 38 LYS N N 38 119.590 119.590 117.707 1.883 19613 143 1 . 1 1 38 38 LYS HA H 38 3.860 3.860 4.154 -0.294 19613 144 1 . 1 1 38 38 LYS C C 38 178.090 178.090 178.260 -0.170 19613 145 1 . 1 1 38 38 LYS CA C 38 59.400 59.400 58.198 1.202 19613 146 1 . 1 1 38 38 LYS CB C 38 31.700 31.700 32.538 -0.838 19613 147 1 . 1 1 38 38 LYS H H 38 8.500 8.500 7.648 0.852 19613 148 1 . 1 1 39 39 GLU N N 39 116.720 116.720 117.773 -1.053 19613 149 1 . 1 1 39 39 GLU HA H 39 3.920 3.920 4.102 -0.182 19613 150 1 . 1 1 39 39 GLU C C 39 176.580 176.580 177.644 -1.064 19613 151 1 . 1 1 39 39 GLU CA C 39 58.250 58.250 58.305 -0.055 19613 152 1 . 1 1 39 39 GLU CB C 39 30.480 30.480 30.186 0.294 19613 153 1 . 1 1 39 39 GLU H H 39 8.290 8.290 8.001 0.289 19613 154 1 . 1 1 40 40 HIS N N 40 112.640 112.640 114.662 -2.022 19613 155 1 . 1 1 40 40 HIS HA H 40 4.710 4.710 4.732 -0.022 19613 156 1 . 1 1 40 40 HIS C C 40 176.970 176.970 175.593 1.377 19613 157 1 . 1 1 40 40 HIS CA C 40 56.630 56.630 56.211 0.419 19613 158 1 . 1 1 40 40 HIS CB C 40 32.970 32.970 31.780 1.190 19613 159 1 . 1 1 40 40 HIS H H 40 7.640 7.640 7.660 -0.020 19613 160 1 . 1 1 41 41 GLY N N 41 108.210 108.210 108.340 -0.130 19613 161 1 . 1 1 41 41 GLY C C 41 174.560 174.560 174.208 0.352 19613 162 1 . 1 1 41 41 GLY CA C 41 47.180 47.180 45.306 1.874 19613 163 1 . 1 1 41 41 GLY H H 41 8.100 8.100 8.110 -0.010 19613 164 1 . 1 1 42 42 LEU N N 42 117.300 117.300 121.523 -4.223 19613 165 1 . 1 1 42 42 LEU HA H 42 4.310 4.310 4.424 -0.114 19613 166 1 . 1 1 42 42 LEU C C 42 177.790 177.790 177.512 0.278 19613 167 1 . 1 1 42 42 LEU CA C 42 54.410 54.410 54.859 -0.449 19613 168 1 . 1 1 42 42 LEU CB C 42 42.820 42.820 42.472 0.348 19613 169 1 . 1 1 42 42 LEU H H 42 6.850 6.850 7.536 -0.686 19613 170 1 . 1 1 43 43 GLY N N 43 109.450 109.450 109.341 0.109 19613 171 1 . 1 1 43 43 GLY C C 43 173.630 173.630 174.747 -1.117 19613 172 1 . 1 1 43 43 GLY CA C 43 44.340 44.340 44.508 -0.168 19613 173 1 . 1 1 43 43 GLY H H 43 8.690 8.690 8.336 0.354 19613 174 1 . 1 1 44 44 LYS N N 44 123.130 123.130 121.207 1.923 19613 175 1 . 1 1 44 44 LYS HA H 44 3.180 3.180 3.307 -0.127 19613 176 1 . 1 1 44 44 LYS C C 44 177.960 177.960 178.660 -0.700 19613 177 1 . 1 1 44 44 LYS CA C 44 60.450 60.450 59.219 1.231 19613 178 1 . 1 1 44 44 LYS CB C 44 30.950 30.950 31.930 -0.980 19613 179 1 . 1 1 44 44 LYS H H 44 8.320 8.320 8.655 -0.335 19613 180 1 . 1 1 45 45 ALA N N 45 119.150 119.150 121.613 -2.463 19613 181 1 . 1 1 45 45 ALA HA H 45 3.970 3.970 4.101 -0.131 19613 182 1 . 1 1 45 45 ALA C C 45 180.320 180.320 179.484 0.836 19613 183 1 . 1 1 45 45 ALA CA C 45 54.980 54.980 54.687 0.293 19613 184 1 . 1 1 45 45 ALA CB C 45 17.380 17.380 17.876 -0.496 19613 185 1 . 1 1 45 45 ALA H H 45 8.360 8.360 8.319 0.041 19613 186 1 . 1 1 46 46 ALA N N 46 120.560 120.560 121.952 -1.392 19613 187 1 . 1 1 46 46 ALA HA H 46 4.030 4.030 4.106 -0.076 19613 188 1 . 1 1 46 46 ALA C C 46 180.760 180.760 180.134 0.626 19613 189 1 . 1 1 46 46 ALA CA C 46 54.530 54.530 54.722 -0.192 19613 190 1 . 1 1 46 46 ALA CB C 46 18.070 18.070 18.208 -0.138 19613 191 1 . 1 1 46 46 ALA H H 46 7.530 7.530 8.207 -0.677 19613 192 1 . 1 1 47 47 VAL N N 47 120.280 120.280 118.995 1.285 19613 193 1 . 1 1 47 47 VAL HA H 47 3.380 3.380 3.524 -0.144 19613 194 1 . 1 1 47 47 VAL C C 47 176.860 176.860 177.953 -1.093 19613 195 1 . 1 1 47 47 VAL CA C 47 66.720 66.720 66.643 0.077 19613 196 1 . 1 1 47 47 VAL CB C 47 31.420 31.420 31.909 -0.489 19613 197 1 . 1 1 47 47 VAL H H 47 7.910 7.910 8.029 -0.119 19613 198 1 . 1 1 48 48 VAL N N 48 119.370 119.370 119.708 -0.338 19613 199 1 . 1 1 48 48 VAL HA H 48 3.350 3.350 3.450 -0.100 19613 200 1 . 1 1 48 48 VAL C C 48 178.200 178.200 177.722 0.478 19613 201 1 . 1 1 48 48 VAL CA C 48 66.860 66.860 67.048 -0.188 19613 202 1 . 1 1 48 48 VAL CB C 48 31.980 31.980 31.350 0.630 19613 203 1 . 1 1 48 48 VAL H H 48 8.240 8.240 8.022 0.218 19613 204 1 . 1 1 49 49 LYS N N 49 117.640 117.640 119.238 -1.598 19613 205 1 . 1 1 49 49 LYS HA H 49 4.080 4.080 3.991 0.089 19613 206 1 . 1 1 49 49 LYS C C 49 178.920 178.920 178.866 0.054 19613 207 1 . 1 1 49 49 LYS CA C 49 58.990 58.990 59.546 -0.556 19613 208 1 . 1 1 49 49 LYS CB C 49 32.520 32.520 32.198 0.322 19613 209 1 . 1 1 49 49 LYS H H 49 7.830 7.830 8.172 -0.342 19613 210 1 . 1 1 50 50 ALA N N 50 120.810 120.810 122.830 -2.020 19613 211 1 . 1 1 50 50 ALA HA H 50 4.060 4.060 4.095 -0.035 19613 212 1 . 1 1 50 50 ALA C C 50 179.390 179.390 179.597 -0.207 19613 213 1 . 1 1 50 50 ALA CA C 50 54.800 54.800 54.900 -0.100 19613 214 1 . 1 1 50 50 ALA CB C 50 19.000 19.000 18.131 0.869 19613 215 1 . 1 1 50 50 ALA H H 50 7.920 7.920 7.813 0.107 19613 216 1 . 1 1 51 51 LEU N N 51 118.510 118.510 119.204 -0.694 19613 217 1 . 1 1 51 51 LEU HA H 51 3.560 3.560 3.649 -0.089 19613 218 1 . 1 1 51 51 LEU C C 51 177.800 177.800 178.748 -0.948 19613 219 1 . 1 1 51 51 LEU CA C 51 58.210 58.210 58.067 0.143 19613 220 1 . 1 1 51 51 LEU CB C 51 40.290 40.290 41.098 -0.808 19613 221 1 . 1 1 51 51 LEU H H 51 8.210 8.210 8.199 0.011 19613 222 1 . 1 1 52 52 ASP N N 52 116.940 116.940 118.463 -1.523 19613 223 1 . 1 1 52 52 ASP HA H 52 4.520 4.520 4.506 0.014 19613 224 1 . 1 1 52 52 ASP C C 52 178.800 178.800 178.960 -0.160 19613 225 1 . 1 1 52 52 ASP CA C 52 57.400 57.400 57.119 0.281 19613 226 1 . 1 1 52 52 ASP CB C 52 40.910 40.910 40.207 0.703 19613 227 1 . 1 1 52 52 ASP H H 52 7.710 7.710 7.880 -0.170 19613 228 1 . 1 1 53 53 GLN N N 53 120.360 120.360 120.706 -0.346 19613 229 1 . 1 1 53 53 GLN HA H 53 3.980 3.980 4.109 -0.129 19613 230 1 . 1 1 53 53 GLN C C 53 178.310 178.310 178.408 -0.098 19613 231 1 . 1 1 53 53 GLN CA C 53 59.370 59.370 58.485 0.885 19613 232 1 . 1 1 53 53 GLN CB C 53 28.340 28.340 28.376 -0.036 19613 233 1 . 1 1 53 53 GLN H H 53 8.200 8.200 7.974 0.226 19613 234 1 . 1 1 54 54 LEU N N 54 118.990 118.990 119.564 -0.574 19613 235 1 . 1 1 54 54 LEU HA H 54 3.980 3.980 4.045 -0.065 19613 236 1 . 1 1 54 54 LEU C C 54 179.660 179.660 178.930 0.730 19613 237 1 . 1 1 54 54 LEU CA C 54 57.750 57.750 57.707 0.043 19613 238 1 . 1 1 54 54 LEU CB C 54 43.440 43.440 41.670 1.770 19613 239 1 . 1 1 54 54 LEU H H 54 8.500 8.500 8.409 0.091 19613 240 1 . 1 1 55 55 ALA N N 55 122.270 122.270 121.138 1.131 19613 241 1 . 1 1 55 55 ALA HA H 55 4.370 4.370 4.366 0.004 19613 242 1 . 1 1 55 55 ALA C C 55 181.940 181.940 179.813 2.127 19613 243 1 . 1 1 55 55 ALA CA C 55 54.710 54.710 54.484 0.226 19613 244 1 . 1 1 55 55 ALA CB C 55 17.590 17.590 18.583 -0.993 19613 245 1 . 1 1 55 55 ALA H H 55 8.350 8.350 7.929 0.421 19613 246 1 . 1 1 56 56 GLN N N 56 122.320 122.320 118.049 4.271 19613 247 1 . 1 1 56 56 GLN HA H 56 4.070 4.070 4.097 -0.027 19613 248 1 . 1 1 56 56 GLN C C 56 178.840 178.840 178.275 0.565 19613 249 1 . 1 1 56 56 GLN CA C 56 59.180 59.180 58.045 1.135 19613 250 1 . 1 1 56 56 GLN CB C 56 28.050 28.050 28.750 -0.700 19613 251 1 . 1 1 56 56 GLN H H 56 8.610 8.610 8.061 0.549 19613 252 1 . 1 1 57 57 GLU N N 57 115.890 115.890 116.782 -0.892 19613 253 1 . 1 1 57 57 GLU HA H 57 4.220 4.220 4.254 -0.034 19613 254 1 . 1 1 57 57 GLU C C 57 177.000 177.000 176.996 0.004 19613 255 1 . 1 1 57 57 GLU CA C 57 56.680 56.680 56.565 0.115 19613 256 1 . 1 1 57 57 GLU CB C 57 30.790 30.790 30.188 0.602 19613 257 1 . 1 1 57 57 GLU H H 57 8.060 8.060 7.860 0.200 19613 258 1 . 1 1 58 58 GLY N N 58 107.440 107.440 106.461 0.979 19613 259 1 . 1 1 58 58 GLY C C 58 174.340 174.340 175.181 -0.841 19613 260 1 . 1 1 58 58 GLY CA C 58 45.580 45.580 45.511 0.069 19613 261 1 . 1 1 58 58 GLY H H 58 7.920 7.920 7.838 0.082 19613 262 1 . 1 1 59 59 LYS N N 59 118.190 118.190 118.848 -0.658 19613 263 1 . 1 1 59 59 LYS HA H 59 4.160 4.160 4.410 -0.250 19613 264 1 . 1 1 59 59 LYS C C 59 176.150 176.150 176.196 -0.046 19613 265 1 . 1 1 59 59 LYS CA C 59 57.790 57.790 57.074 0.716 19613 266 1 . 1 1 59 59 LYS CB C 59 34.180 34.180 33.551 0.629 19613 267 1 . 1 1 59 59 LYS H H 59 8.170 8.170 8.535 -0.365 19613 268 1 . 1 1 60 60 ILE N N 60 107.860 107.860 113.249 -5.389 19613 269 1 . 1 1 60 60 ILE HA H 60 4.570 4.570 4.607 -0.037 19613 270 1 . 1 1 60 60 ILE C C 60 172.900 172.900 174.161 -1.261 19613 271 1 . 1 1 60 60 ILE CA C 60 58.540 58.540 59.203 -0.663 19613 272 1 . 1 1 60 60 ILE CB C 60 40.910 40.910 41.653 -0.742 19613 273 1 . 1 1 60 60 ILE H H 60 7.140 7.140 7.301 -0.161 19613 274 1 . 1 1 61 61 LYS N N 61 119.750 119.750 120.847 -1.097 19613 275 1 . 1 1 61 61 LYS HA H 61 4.410 4.410 4.541 -0.131 19613 276 1 . 1 1 61 61 LYS C C 61 173.930 173.930 174.546 -0.616 19613 277 1 . 1 1 61 61 LYS CA C 61 54.260 54.260 54.651 -0.392 19613 278 1 . 1 1 61 61 LYS CB C 61 34.670 34.670 35.121 -0.451 19613 279 1 . 1 1 61 61 LYS H H 61 8.670 8.670 8.466 0.204 19613 280 1 . 1 1 62 62 GLU N N 62 117.580 117.580 120.285 -2.705 19613 281 1 . 1 1 62 62 GLU HA H 62 5.140 5.140 5.064 0.076 19613 282 1 . 1 1 62 62 GLU C C 62 175.630 175.630 175.363 0.267 19613 283 1 . 1 1 62 62 GLU CA C 62 53.580 53.580 54.355 -0.775 19613 284 1 . 1 1 62 62 GLU CB C 62 33.910 33.910 32.772 1.138 19613 285 1 . 1 1 62 62 GLU H H 62 8.130 8.130 8.291 -0.161 19613 286 1 . 1 1 63 63 LYS N N 63 122.890 122.890 123.589 -0.699 19613 287 1 . 1 1 63 63 LYS HA H 63 4.550 4.550 4.671 -0.121 19613 288 1 . 1 1 63 63 LYS C C 63 174.510 174.510 175.141 -0.631 19613 289 1 . 1 1 63 63 LYS CA C 63 55.010 55.010 54.997 0.013 19613 290 1 . 1 1 63 63 LYS CB C 63 36.280 36.280 36.209 0.071 19613 291 1 . 1 1 63 63 LYS H H 63 8.880 8.880 8.869 0.011 19613 292 1 . 1 1 64 64 THR N N 64 117.560 117.560 119.452 -1.892 19613 293 1 . 1 1 64 64 THR HA H 64 4.760 4.760 4.662 0.098 19613 294 1 . 1 1 64 64 THR C C 64 173.870 173.870 173.777 0.093 19613 295 1 . 1 1 64 64 THR CA C 64 62.120 62.120 62.484 -0.364 19613 296 1 . 1 1 64 64 THR CB C 64 69.740 69.740 69.410 0.330 19613 297 1 . 1 1 64 64 THR H H 64 8.410 8.410 8.465 -0.055 19613 298 1 . 1 1 65 65 TYR N N 65 127.630 127.630 129.002 -1.373 19613 299 1 . 1 1 65 65 TYR HA H 65 4.710 4.710 4.520 0.190 19613 300 1 . 1 1 65 65 TYR C C 65 175.780 175.780 175.800 -0.021 19613 301 1 . 1 1 65 65 TYR CA C 65 56.530 56.530 56.917 -0.387 19613 302 1 . 1 1 65 65 TYR CB C 65 39.220 39.220 38.315 0.905 19613 303 1 . 1 1 65 65 TYR H H 65 8.770 8.770 8.927 -0.157 19613 304 1 . 1 1 67 67 LYS N N 67 120.220 120.220 124.192 -3.972 19613 305 1 . 1 1 67 67 LYS HA H 67 4.200 4.200 4.438 -0.238 19613 306 1 . 1 1 67 67 LYS C C 67 175.890 175.890 176.033 -0.143 19613 307 1 . 1 1 67 67 LYS CA C 67 56.300 56.300 56.091 0.209 19613 308 1 . 1 1 67 67 LYS CB C 67 32.180 32.180 33.216 -1.036 19613 309 1 . 1 1 67 67 LYS H H 67 8.110 8.110 8.527 -0.417 19613 310 1 . 1 1 68 68 GLN N N 68 119.090 119.090 119.662 -0.573 19613 311 1 . 1 1 68 68 GLN HA H 68 4.680 4.680 4.668 0.012 19613 312 1 . 1 1 68 68 GLN C C 68 174.080 174.080 174.556 -0.476 19613 313 1 . 1 1 68 68 GLN CA C 68 54.800 54.800 54.445 0.355 19613 314 1 . 1 1 68 68 GLN CB C 68 31.590 31.590 31.436 0.154 19613 315 1 . 1 1 68 68 GLN H H 68 7.920 7.920 7.665 0.255 19613 316 1 . 1 1 69 69 LYS N N 69 123.400 123.400 121.188 2.212 19613 317 1 . 1 1 69 69 LYS HA H 69 4.740 4.740 4.974 -0.234 19613 318 1 . 1 1 69 69 LYS C C 69 175.820 175.820 175.545 0.275 19613 319 1 . 1 1 69 69 LYS CA C 69 56.090 56.090 55.485 0.605 19613 320 1 . 1 1 69 69 LYS CB C 69 33.910 33.910 35.021 -1.111 19613 321 1 . 1 1 69 69 LYS H H 69 8.370 8.370 8.596 -0.226 19613 322 1 . 1 1 70 70 ILE N N 70 120.640 120.640 121.612 -0.972 19613 323 1 . 1 1 70 70 ILE HA H 70 4.560 4.560 4.668 -0.108 19613 324 1 . 1 1 70 70 ILE C C 70 173.330 173.330 174.385 -1.055 19613 325 1 . 1 1 70 70 ILE CA C 70 59.050 59.050 60.277 -1.227 19613 326 1 . 1 1 70 70 ILE CB C 70 40.680 40.680 40.692 -0.011 19613 327 1 . 1 1 70 70 ILE H H 70 8.780 8.780 8.817 -0.037 19613 328 1 . 1 1 71 71 TYR N N 71 120.200 120.200 125.138 -4.938 19613 329 1 . 1 1 71 71 TYR HA H 71 5.590 5.590 5.610 -0.020 19613 330 1 . 1 1 71 71 TYR C C 71 175.840 175.840 175.221 0.619 19613 331 1 . 1 1 71 71 TYR CA C 71 56.810 56.810 55.980 0.830 19613 332 1 . 1 1 71 71 TYR CB C 71 42.520 42.520 41.768 0.752 19613 333 1 . 1 1 71 71 TYR H H 71 8.810 8.810 9.306 -0.496 19613 334 1 . 1 1 72 72 PHE N N 72 113.950 113.950 116.728 -2.778 19613 335 1 . 1 1 72 72 PHE HA H 72 5.000 5.000 5.181 -0.181 19613 336 1 . 1 1 72 72 PHE C C 72 172.950 172.950 173.443 -0.493 19613 337 1 . 1 1 72 72 PHE CA C 72 55.710 55.710 55.979 -0.269 19613 338 1 . 1 1 72 72 PHE CB C 72 40.050 40.050 42.063 -2.013 19613 339 1 . 1 1 72 72 PHE H H 72 8.470 8.470 8.725 -0.255 19613 340 1 . 1 1 73 73 ALA N N 73 123.890 123.890 123.600 0.290 19613 341 1 . 1 1 73 73 ALA HA H 73 4.540 4.540 4.269 0.271 19613 342 1 . 1 1 73 73 ALA C C 73 176.090 176.090 176.506 -0.416 19613 343 1 . 1 1 73 73 ALA CA C 73 51.470 51.470 51.983 -0.513 19613 344 1 . 1 1 73 73 ALA CB C 73 19.980 19.980 19.698 0.282 19613 345 1 . 1 1 73 73 ALA H H 73 8.850 8.850 8.845 0.005 19613 stop_ save_