data_19274 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19274 _Entry.PDB_ID 2M8U 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 19274 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.375 -1.305 19274 2 1 1 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.074 1.686 19274 3 1 1 . 1 1 4 4 MET N N 4 120.140 120.140 123.777 -3.637 19274 4 1 1 . 1 1 4 4 MET HA H 4 4.390 4.390 4.760 -0.370 19274 5 1 1 . 1 1 4 4 MET CA C 4 55.160 55.160 54.781 0.379 19274 6 1 1 . 1 1 4 4 MET CB C 4 32.400 32.400 34.640 -2.240 19274 7 1 1 . 1 1 4 4 MET H H 4 8.380 8.380 8.512 -0.132 19274 8 1 1 . 1 1 5 5 ASN N N 5 119.370 119.370 123.966 -4.596 19274 9 1 1 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.073 0.597 19274 10 1 1 . 1 1 5 5 ASN CB C 5 38.690 38.690 37.618 1.071 19274 11 1 1 . 1 1 5 5 ASN H H 5 8.360 8.360 8.921 -0.561 19274 12 1 1 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.626 0.074 19274 13 1 1 . 1 1 6 6 HIS C C 6 174.900 174.900 174.859 0.041 19274 14 1 1 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.222 -0.122 19274 15 1 1 . 1 1 6 6 HIS CB C 6 29.920 29.920 31.678 -1.758 19274 16 1 1 . 1 1 7 7 ILE N N 7 121.430 121.430 123.777 -2.347 19274 17 1 1 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.054 0.026 19274 18 1 1 . 1 1 7 7 ILE C C 7 175.940 175.940 175.144 0.796 19274 19 1 1 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.846 0.865 19274 20 1 1 . 1 1 7 7 ILE CB C 7 38.560 38.560 37.629 0.931 19274 21 1 1 . 1 1 7 7 ILE H H 7 8.090 8.090 7.579 0.511 19274 22 1 1 . 1 1 8 8 ASN N N 8 121.280 121.280 128.389 -7.109 19274 23 1 1 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.954 -0.074 19274 24 1 1 . 1 1 8 8 ASN C C 8 175.360 175.360 174.479 0.881 19274 25 1 1 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.205 1.425 19274 26 1 1 . 1 1 8 8 ASN CB C 8 39.590 39.590 37.926 1.664 19274 27 1 1 . 1 1 8 8 ASN H H 8 8.520 8.520 8.648 -0.128 19274 28 1 1 . 1 1 9 9 THR N N 9 112.710 112.710 118.488 -5.778 19274 29 1 1 . 1 1 9 9 THR HA H 9 4.370 4.370 4.589 -0.219 19274 30 1 1 . 1 1 9 9 THR C C 9 174.690 174.690 174.943 -0.253 19274 31 1 1 . 1 1 9 9 THR CA C 9 62.100 62.100 62.042 0.057 19274 32 1 1 . 1 1 9 9 THR CB C 9 71.021 71.021 69.934 1.087 19274 33 1 1 . 1 1 9 9 THR H H 9 8.020 8.020 7.859 0.161 19274 34 1 1 . 1 1 10 10 LYS N N 10 122.130 122.130 126.722 -4.592 19274 35 1 1 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.831 -0.571 19274 36 1 1 . 1 1 10 10 LYS C C 10 177.710 177.710 177.509 0.201 19274 37 1 1 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.464 1.736 19274 38 1 1 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.610 0.460 19274 39 1 1 . 1 1 10 10 LYS H H 10 8.390 8.390 9.008 -0.618 19274 40 1 1 . 1 1 11 11 ALA N N 11 118.760 118.760 122.152 -3.392 19274 41 1 1 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.145 -0.105 19274 42 1 1 . 1 1 11 11 ALA C C 11 180.540 180.540 179.385 1.155 19274 43 1 1 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.466 0.525 19274 44 1 1 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.402 -0.352 19274 45 1 1 . 1 1 11 11 ALA H H 11 8.120 8.120 8.168 -0.048 19274 46 1 1 . 1 1 12 12 GLN N N 12 116.840 116.840 118.566 -1.726 19274 47 1 1 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.004 0.036 19274 48 1 1 . 1 1 12 12 GLN C C 12 178.940 178.940 178.441 0.499 19274 49 1 1 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.668 -0.107 19274 50 1 1 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.513 0.607 19274 51 1 1 . 1 1 12 12 GLN H H 12 7.700 7.700 7.572 0.128 19274 52 1 1 . 1 1 13 13 VAL N N 13 121.610 121.610 119.228 2.382 19274 53 1 1 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.714 -0.254 19274 54 1 1 . 1 1 13 13 VAL C C 13 176.920 176.920 177.211 -0.291 19274 55 1 1 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.848 1.643 19274 56 1 1 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.451 -0.141 19274 57 1 1 . 1 1 13 13 VAL H H 13 7.990 7.990 7.322 0.668 19274 58 1 1 . 1 1 14 14 ILE N N 14 118.850 118.850 119.423 -0.573 19274 59 1 1 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.956 -0.156 19274 60 1 1 . 1 1 14 14 ILE C C 14 178.130 178.130 178.284 -0.154 19274 61 1 1 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.913 0.497 19274 62 1 1 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.700 -0.530 19274 63 1 1 . 1 1 14 14 ILE H H 14 8.220 8.220 7.288 0.932 19274 64 1 1 . 1 1 15 15 GLU N N 15 118.090 118.090 118.596 -0.506 19274 65 1 1 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.087 -0.127 19274 66 1 1 . 1 1 15 15 GLU C C 15 178.310 178.310 178.762 -0.452 19274 67 1 1 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.444 0.896 19274 68 1 1 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.790 0.471 19274 69 1 1 . 1 1 15 15 GLU H H 15 7.940 7.940 8.228 -0.288 19274 70 1 1 . 1 1 16 16 ALA N N 16 120.860 120.860 122.364 -1.504 19274 71 1 1 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.151 -0.021 19274 72 1 1 . 1 1 16 16 ALA C C 16 180.840 180.840 179.867 0.973 19274 73 1 1 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.785 0.016 19274 74 1 1 . 1 1 16 16 ALA CB C 16 17.790 17.790 17.964 -0.174 19274 75 1 1 . 1 1 16 16 ALA H H 16 7.560 7.560 7.391 0.169 19274 76 1 1 . 1 1 17 17 PHE N N 17 116.830 116.830 116.883 -0.053 19274 77 1 1 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.220 0.170 19274 78 1 1 . 1 1 17 17 PHE C C 17 177.550 177.550 177.731 -0.181 19274 79 1 1 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.974 -2.043 19274 80 1 1 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.063 -0.173 19274 81 1 1 . 1 1 17 17 PHE H H 17 7.730 7.730 7.742 -0.012 19274 82 1 1 . 1 1 18 18 LYS N N 18 119.360 119.360 118.734 0.626 19274 83 1 1 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.198 -0.228 19274 84 1 1 . 1 1 18 18 LYS C C 18 178.860 178.860 177.828 1.032 19274 85 1 1 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.904 0.727 19274 86 1 1 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.479 -0.019 19274 87 1 1 . 1 1 18 18 LYS H H 18 8.290 8.290 7.400 0.890 19274 88 1 1 . 1 1 19 19 VAL N N 19 116.479 116.479 118.461 -1.982 19274 89 1 1 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.712 -0.062 19274 90 1 1 . 1 1 19 19 VAL C C 19 177.020 177.020 177.033 -0.013 19274 91 1 1 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.326 -0.275 19274 92 1 1 . 1 1 19 19 VAL CB C 19 31.990 31.990 32.022 -0.032 19274 93 1 1 . 1 1 19 19 VAL H H 19 7.400 7.400 7.650 -0.250 19274 94 1 1 . 1 1 20 20 PHE N N 20 118.120 118.120 118.584 -0.464 19274 95 1 1 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.156 0.174 19274 96 1 1 . 1 1 20 20 PHE C C 20 175.750 175.750 175.914 -0.164 19274 97 1 1 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.419 -0.628 19274 98 1 1 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.484 0.496 19274 99 1 1 . 1 1 20 20 PHE H H 20 7.260 7.260 7.463 -0.203 19274 100 1 1 . 1 1 21 21 ASP N N 21 120.640 120.640 119.337 1.303 19274 101 1 1 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.482 0.648 19274 102 1 1 . 1 1 21 21 ASP C C 21 176.520 176.520 176.480 0.040 19274 103 1 1 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.361 -0.821 19274 104 1 1 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.890 0.090 19274 105 1 1 . 1 1 21 21 ASP H H 21 7.910 7.910 8.017 -0.107 19274 106 1 1 . 1 1 22 22 ARG N N 22 124.740 124.740 122.962 1.778 19274 107 1 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.256 -0.126 19274 108 1 1 . 1 1 22 22 ARG C C 22 177.980 177.980 177.309 0.671 19274 109 1 1 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.308 1.123 19274 110 1 1 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.332 0.058 19274 111 1 1 . 1 1 22 22 ARG H H 22 8.120 8.120 7.720 0.400 19274 112 1 1 . 1 1 23 23 ASP N N 23 116.400 116.400 118.593 -2.193 19274 113 1 1 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.544 0.206 19274 114 1 1 . 1 1 23 23 ASP C C 23 176.750 176.750 176.573 0.177 19274 115 1 1 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.139 0.582 19274 116 1 1 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.395 -0.175 19274 117 1 1 . 1 1 23 23 ASP H H 23 8.670 8.670 7.976 0.694 19274 118 1 1 . 1 1 24 24 GLY N N 24 110.310 110.310 107.310 3.000 19274 119 1 1 . 1 1 24 24 GLY C C 24 175.410 175.410 174.899 0.511 19274 120 1 1 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.093 1.971 19274 121 1 1 . 1 1 24 24 GLY H H 24 8.000 8.000 7.940 0.060 19274 122 1 1 . 1 1 25 25 ASN N N 25 118.870 118.870 118.791 0.079 19274 123 1 1 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.418 0.442 19274 124 1 1 . 1 1 25 25 ASN C C 25 176.610 176.610 176.667 -0.057 19274 125 1 1 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.274 -1.124 19274 126 1 1 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.930 0.500 19274 127 1 1 . 1 1 25 25 ASN H H 25 9.250 9.250 8.617 0.633 19274 128 1 1 . 1 1 26 26 GLY N N 26 110.130 110.130 108.627 1.503 19274 129 1 1 . 1 1 26 26 GLY C C 26 173.300 173.300 173.139 0.161 19274 130 1 1 . 1 1 26 26 GLY CA C 26 45.590 45.590 46.046 -0.456 19274 131 1 1 . 1 1 26 26 GLY H H 26 10.110 10.110 8.666 1.444 19274 132 1 1 . 1 1 27 27 TYR N N 27 118.030 118.030 120.156 -2.126 19274 133 1 1 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.518 0.132 19274 134 1 1 . 1 1 27 27 TYR C C 27 176.130 176.130 174.695 1.435 19274 135 1 1 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.536 1.755 19274 136 1 1 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.873 0.617 19274 137 1 1 . 1 1 27 27 TYR H H 27 8.010 8.010 7.379 0.631 19274 138 1 1 . 1 1 28 28 VAL N N 28 111.260 111.260 120.409 -9.149 19274 139 1 1 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.682 0.458 19274 140 1 1 . 1 1 28 28 VAL C C 28 175.330 175.330 176.638 -1.308 19274 141 1 1 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.263 -1.171 19274 142 1 1 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.452 0.888 19274 143 1 1 . 1 1 28 28 VAL H H 28 8.810 8.810 9.069 -0.259 19274 144 1 1 . 1 1 29 29 THR N N 29 111.560 111.560 114.333 -2.773 19274 145 1 1 . 1 1 29 29 THR HA H 29 4.680 4.680 4.634 0.046 19274 146 1 1 . 1 1 29 29 THR C C 29 176.260 176.260 175.929 0.331 19274 147 1 1 . 1 1 29 29 THR CA C 29 60.761 60.761 61.818 -1.057 19274 148 1 1 . 1 1 29 29 THR CB C 29 69.981 69.981 70.032 -0.051 19274 149 1 1 . 1 1 29 29 THR H H 29 7.450 7.450 8.406 -0.956 19274 150 1 1 . 1 1 30 30 VAL N N 30 119.990 119.990 120.590 -0.600 19274 151 1 1 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.806 -0.246 19274 152 1 1 . 1 1 30 30 VAL C C 30 177.080 177.080 176.867 0.213 19274 153 1 1 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.355 0.586 19274 154 1 1 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.101 -0.701 19274 155 1 1 . 1 1 30 30 VAL H H 30 7.990 7.990 8.040 -0.050 19274 156 1 1 . 1 1 31 31 ASP N N 31 117.730 117.730 119.508 -1.778 19274 157 1 1 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.297 0.023 19274 158 1 1 . 1 1 31 31 ASP C C 31 178.650 178.650 177.819 0.831 19274 159 1 1 . 1 1 31 31 ASP CA C 31 57.411 57.411 58.071 -0.660 19274 160 1 1 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.682 0.028 19274 161 1 1 . 1 1 31 31 ASP H H 31 8.060 8.060 8.546 -0.486 19274 162 1 1 . 1 1 32 32 TYR N N 32 121.060 121.060 120.193 0.867 19274 163 1 1 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.067 0.133 19274 164 1 1 . 1 1 32 32 TYR C C 32 177.040 177.040 177.098 -0.058 19274 165 1 1 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.904 0.267 19274 166 1 1 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.316 -0.476 19274 167 1 1 . 1 1 32 32 TYR H H 32 7.760 7.760 7.486 0.274 19274 168 1 1 . 1 1 33 33 LEU N N 33 120.480 120.480 120.757 -0.277 19274 169 1 1 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.202 -0.252 19274 170 1 1 . 1 1 33 33 LEU C C 33 178.060 178.060 178.913 -0.853 19274 171 1 1 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.530 0.250 19274 172 1 1 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.135 0.005 19274 173 1 1 . 1 1 33 33 LEU H H 33 8.170 8.170 7.776 0.394 19274 174 1 1 . 1 1 34 34 ARG N N 34 115.900 115.900 117.517 -1.617 19274 175 1 1 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.009 -0.319 19274 176 1 1 . 1 1 34 34 ARG C C 34 178.210 178.210 178.465 -0.255 19274 177 1 1 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.351 1.030 19274 178 1 1 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.068 0.262 19274 179 1 1 . 1 1 34 34 ARG H H 34 8.260 8.260 8.225 0.035 19274 180 1 1 . 1 1 35 35 LYS N N 35 119.800 119.800 120.711 -0.911 19274 181 1 1 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.946 0.014 19274 182 1 1 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.551 0.300 19274 183 1 1 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.157 0.453 19274 184 1 1 . 1 1 35 35 LYS H H 35 7.460 7.460 7.538 -0.078 19274 185 1 1 . 1 1 36 36 VAL N N 36 119.380 119.380 119.346 0.034 19274 186 1 1 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.791 -0.291 19274 187 1 1 . 1 1 36 36 VAL C C 36 178.790 178.790 177.454 1.336 19274 188 1 1 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.072 1.119 19274 189 1 1 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.537 0.283 19274 190 1 1 . 1 1 36 36 VAL H H 36 8.020 8.020 7.457 0.563 19274 191 1 1 . 1 1 37 37 LEU N N 37 116.970 116.970 118.027 -1.057 19274 192 1 1 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.186 -0.126 19274 193 1 1 . 1 1 37 37 LEU C C 37 179.560 179.560 177.718 1.842 19274 194 1 1 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.386 1.605 19274 195 1 1 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.156 -0.145 19274 196 1 1 . 1 1 37 37 LEU H H 37 8.250 8.250 7.350 0.900 19274 197 1 1 . 1 1 38 38 ASN N N 38 116.710 116.710 118.398 -1.688 19274 198 1 1 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.533 0.047 19274 199 1 1 . 1 1 38 38 ASN C C 38 177.520 177.520 177.925 -0.405 19274 200 1 1 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.737 0.213 19274 201 1 1 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.882 0.208 19274 202 1 1 . 1 1 38 38 ASN H H 38 8.120 8.120 8.037 0.083 19274 203 1 1 . 1 1 39 39 GLU N N 39 118.700 118.700 121.406 -2.706 19274 204 1 1 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.106 0.143 19274 205 1 1 . 1 1 39 39 GLU C C 39 177.680 177.680 178.305 -0.625 19274 206 1 1 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.780 -0.979 19274 207 1 1 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.793 -0.223 19274 208 1 1 . 1 1 39 39 GLU H H 39 7.800 7.800 8.121 -0.321 19274 209 1 1 . 1 1 40 40 LEU N N 40 118.760 118.760 119.139 -0.379 19274 210 1 1 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.515 -0.145 19274 211 1 1 . 1 1 40 40 LEU C C 40 177.940 177.940 177.561 0.379 19274 212 1 1 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.038 1.713 19274 213 1 1 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.315 0.815 19274 214 1 1 . 1 1 40 40 LEU H H 40 7.710 7.710 7.905 -0.195 19274 215 1 1 . 1 1 41 41 GLY N N 41 106.700 106.700 108.093 -1.393 19274 216 1 1 . 1 1 41 41 GLY CA C 41 46.100 46.100 46.392 -0.292 19274 217 1 1 . 1 1 41 41 GLY H H 41 7.780 7.780 7.613 0.167 19274 218 1 1 . 1 1 42 42 ASP N N 42 120.920 120.920 119.690 1.230 19274 219 1 1 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.444 0.116 19274 220 1 1 . 1 1 42 42 ASP C C 42 176.280 176.280 177.359 -1.079 19274 221 1 1 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.484 -1.593 19274 222 1 1 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.044 -0.633 19274 223 1 1 . 1 1 42 42 ASP H H 42 8.440 8.440 8.033 0.407 19274 224 1 1 . 1 1 43 43 MET N N 43 118.550 118.550 117.276 1.274 19274 225 1 1 . 1 1 43 43 MET HA H 43 4.380 4.380 4.404 -0.024 19274 226 1 1 . 1 1 43 43 MET C C 43 175.810 175.810 176.162 -0.352 19274 227 1 1 . 1 1 43 43 MET CA C 43 56.801 56.801 55.422 1.379 19274 228 1 1 . 1 1 43 43 MET CB C 43 33.140 33.140 34.298 -1.158 19274 229 1 1 . 1 1 43 43 MET H H 43 8.180 8.180 7.529 0.651 19274 230 1 1 . 1 1 44 44 MET N N 44 119.050 119.050 119.443 -0.393 19274 231 1 1 . 1 1 44 44 MET HA H 44 4.870 4.870 4.618 0.252 19274 232 1 1 . 1 1 44 44 MET CA C 44 53.170 53.170 51.019 2.151 19274 233 1 1 . 1 1 44 44 MET CB C 44 33.870 33.870 32.026 1.844 19274 234 1 1 . 1 1 44 44 MET H H 44 7.920 7.920 7.976 -0.056 19274 235 1 1 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.481 0.049 19274 236 1 1 . 1 1 45 45 PRO C C 45 177.450 177.450 177.481 -0.031 19274 237 1 1 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.231 -0.480 19274 238 1 1 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.024 0.316 19274 239 1 1 . 1 1 46 46 ALA N N 46 126.480 126.480 129.933 -3.453 19274 240 1 1 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.997 0.093 19274 241 1 1 . 1 1 46 46 ALA CA C 46 55.531 55.531 55.490 0.041 19274 242 1 1 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.425 0.445 19274 243 1 1 . 1 1 46 46 ALA H H 46 8.660 8.660 8.729 -0.069 19274 244 1 1 . 1 1 47 47 ASP N N 47 115.320 115.320 117.693 -2.373 19274 245 1 1 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.533 -0.133 19274 246 1 1 . 1 1 47 47 ASP C C 47 179.710 179.710 178.826 0.884 19274 247 1 1 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.851 -1.150 19274 248 1 1 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.392 -0.702 19274 249 1 1 . 1 1 47 47 ASP H H 47 8.840 8.840 8.707 0.133 19274 250 1 1 . 1 1 48 48 GLU N N 48 120.590 120.590 119.774 0.816 19274 251 1 1 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.164 0.106 19274 252 1 1 . 1 1 48 48 GLU C C 48 178.700 178.700 178.638 0.062 19274 253 1 1 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.980 -0.459 19274 254 1 1 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.297 0.604 19274 255 1 1 . 1 1 48 48 GLU H H 48 7.580 7.580 8.415 -0.835 19274 256 1 1 . 1 1 49 49 ILE N N 49 119.990 119.990 119.962 0.028 19274 257 1 1 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.719 0.061 19274 258 1 1 . 1 1 49 49 ILE C C 49 177.640 177.640 178.432 -0.792 19274 259 1 1 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.153 -0.022 19274 260 1 1 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.070 -0.370 19274 261 1 1 . 1 1 49 49 ILE H H 49 7.690 7.690 7.867 -0.177 19274 262 1 1 . 1 1 50 50 GLU N N 50 117.290 117.290 118.854 -1.564 19274 263 1 1 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.020 -0.050 19274 264 1 1 . 1 1 50 50 GLU C C 50 179.400 179.400 178.930 0.470 19274 265 1 1 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.581 -0.400 19274 266 1 1 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.170 -0.520 19274 267 1 1 . 1 1 50 50 GLU H H 50 8.040 8.040 8.434 -0.394 19274 268 1 1 . 1 1 51 51 GLU N N 51 119.160 119.160 119.318 -0.158 19274 269 1 1 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.756 0.464 19274 270 1 1 . 1 1 51 51 GLU C C 51 179.810 179.810 178.757 1.053 19274 271 1 1 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.951 0.500 19274 272 1 1 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.520 -0.210 19274 273 1 1 . 1 1 51 51 GLU H H 51 7.750 7.750 7.456 0.294 19274 274 1 1 . 1 1 52 52 MET N N 52 118.780 118.780 117.385 1.395 19274 275 1 1 . 1 1 52 52 MET HA H 52 4.200 4.200 4.300 -0.100 19274 276 1 1 . 1 1 52 52 MET CA C 52 59.191 59.191 57.645 1.546 19274 277 1 1 . 1 1 52 52 MET CB C 52 33.580 33.580 32.208 1.373 19274 278 1 1 . 1 1 52 52 MET H H 52 7.998 7.998 7.496 0.502 19274 279 1 1 . 1 1 53 53 ILE N N 53 120.910 120.910 119.629 1.281 19274 280 1 1 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.118 0.412 19274 281 1 1 . 1 1 53 53 ILE C C 53 177.086 177.086 177.884 -0.798 19274 282 1 1 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.629 2.040 19274 283 1 1 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.150 0.530 19274 284 1 1 . 1 1 53 53 ILE H H 53 8.420 8.420 7.760 0.660 19274 285 1 1 . 1 1 54 54 TYR N N 54 119.030 119.030 118.957 0.073 19274 286 1 1 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.188 0.112 19274 287 1 1 . 1 1 54 54 TYR C C 54 177.910 177.910 177.925 -0.015 19274 288 1 1 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.456 1.315 19274 289 1 1 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.260 0.290 19274 290 1 1 . 1 1 54 54 TYR H H 54 7.850 7.850 7.814 0.036 19274 291 1 1 . 1 1 55 55 GLU N N 55 115.700 115.700 117.848 -2.148 19274 292 1 1 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.132 -0.232 19274 293 1 1 . 1 1 55 55 GLU C C 55 178.280 178.280 178.135 0.145 19274 294 1 1 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.090 0.301 19274 295 1 1 . 1 1 55 55 GLU CB C 55 29.510 29.510 28.973 0.537 19274 296 1 1 . 1 1 55 55 GLU H H 55 7.850 7.850 7.733 0.117 19274 297 1 1 . 1 1 56 56 ALA N N 56 119.710 119.710 120.436 -0.726 19274 298 1 1 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.087 0.303 19274 299 1 1 . 1 1 56 56 ALA C C 56 177.670 177.670 176.681 0.989 19274 300 1 1 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.257 -0.087 19274 301 1 1 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.257 0.733 19274 302 1 1 . 1 1 56 56 ALA H H 56 8.009 8.009 7.461 0.548 19274 303 1 1 . 1 1 57 57 ASP N N 57 117.020 117.020 116.847 0.173 19274 304 1 1 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.976 0.364 19274 305 1 1 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.273 1.037 19274 306 1 1 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.594 -0.724 19274 307 1 1 . 1 1 57 57 ASP H H 57 8.020 8.020 7.857 0.163 19274 308 1 1 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.626 -0.316 19274 309 1 1 . 1 1 58 58 PRO C C 58 178.470 178.470 177.617 0.853 19274 310 1 1 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.368 0.963 19274 311 1 1 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.130 -0.500 19274 312 1 1 . 1 1 59 59 GLN N N 59 115.810 115.810 115.946 -0.136 19274 313 1 1 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.149 0.361 19274 314 1 1 . 1 1 59 59 GLN C C 59 176.290 176.290 176.021 0.269 19274 315 1 1 . 1 1 59 59 GLN CA C 59 54.881 54.881 56.401 -1.520 19274 316 1 1 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.539 -0.959 19274 317 1 1 . 1 1 59 59 GLN H H 59 8.750 8.750 8.148 0.602 19274 318 1 1 . 1 1 60 60 ASN N N 60 118.250 118.250 114.616 3.634 19274 319 1 1 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.242 0.158 19274 320 1 1 . 1 1 60 60 ASN C C 60 175.330 175.330 175.380 -0.050 19274 321 1 1 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.903 0.508 19274 322 1 1 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.465 -0.695 19274 323 1 1 . 1 1 60 60 ASN H H 60 8.350 8.350 7.811 0.539 19274 324 1 1 . 1 1 61 61 SER N N 61 118.650 118.650 114.859 3.791 19274 325 1 1 . 1 1 61 61 SER HA H 61 4.300 4.300 4.375 -0.075 19274 326 1 1 . 1 1 61 61 SER C C 61 176.810 176.810 175.100 1.710 19274 327 1 1 . 1 1 61 61 SER CA C 61 60.881 60.881 59.200 1.681 19274 328 1 1 . 1 1 61 61 SER CB C 61 65.031 65.031 63.934 1.097 19274 329 1 1 . 1 1 61 61 SER H H 61 9.990 9.990 7.919 2.071 19274 330 1 1 . 1 1 62 62 GLY N N 62 112.630 112.630 109.704 2.926 19274 331 1 1 . 1 1 62 62 GLY C C 62 173.960 173.960 172.750 1.210 19274 332 1 1 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.944 0.386 19274 333 1 1 . 1 1 62 62 GLY H H 62 10.440 10.440 8.191 2.249 19274 334 1 1 . 1 1 63 63 TYR N N 63 121.250 121.250 119.009 2.241 19274 335 1 1 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.945 0.305 19274 336 1 1 . 1 1 63 63 TYR C C 63 173.900 173.900 174.429 -0.529 19274 337 1 1 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.085 0.186 19274 338 1 1 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.612 3.148 19274 339 1 1 . 1 1 63 63 TYR H H 63 8.180 8.180 7.604 0.576 19274 340 1 1 . 1 1 64 64 VAL N N 64 115.490 115.490 122.580 -7.090 19274 341 1 1 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.420 0.060 19274 342 1 1 . 1 1 64 64 VAL C C 64 174.240 174.240 174.749 -0.509 19274 343 1 1 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.782 0.399 19274 344 1 1 . 1 1 64 64 VAL CB C 64 36.590 36.590 36.211 0.379 19274 345 1 1 . 1 1 64 64 VAL H H 64 8.930 8.930 8.088 0.842 19274 346 1 1 . 1 1 65 65 GLN N N 65 128.370 128.370 129.081 -0.711 19274 347 1 1 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.406 0.024 19274 348 1 1 . 1 1 65 65 GLN C C 65 177.110 177.110 176.652 0.458 19274 349 1 1 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.034 0.137 19274 350 1 1 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.066 0.724 19274 351 1 1 . 1 1 65 65 GLN H H 65 8.870 8.870 8.650 0.220 19274 352 1 1 . 1 1 66 66 TYR N N 66 124.870 124.870 123.898 0.972 19274 353 1 1 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.967 0.043 19274 354 1 1 . 1 1 66 66 TYR C C 66 176.650 176.650 176.809 -0.159 19274 355 1 1 . 1 1 66 66 TYR CA C 66 60.281 60.281 61.054 -0.773 19274 356 1 1 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.016 0.494 19274 357 1 1 . 1 1 66 66 TYR H H 66 7.490 7.490 7.913 -0.423 19274 358 1 1 . 1 1 67 67 GLU N N 67 125.080 125.080 118.704 6.376 19274 359 1 1 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.854 0.096 19274 360 1 1 . 1 1 67 67 GLU C C 67 179.630 179.630 178.736 0.894 19274 361 1 1 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.818 0.923 19274 362 1 1 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.744 0.167 19274 363 1 1 . 1 1 67 67 GLU H H 67 9.010 9.010 8.081 0.929 19274 364 1 1 . 1 1 68 68 THR N N 68 114.620 114.620 113.337 1.283 19274 365 1 1 . 1 1 68 68 THR HA H 68 4.000 4.000 4.046 -0.046 19274 366 1 1 . 1 1 68 68 THR C C 68 176.510 176.510 176.582 -0.072 19274 367 1 1 . 1 1 68 68 THR CA C 68 64.921 64.921 65.311 -0.390 19274 368 1 1 . 1 1 68 68 THR CB C 68 68.451 68.451 68.296 0.155 19274 369 1 1 . 1 1 68 68 THR H H 68 7.550 7.550 7.527 0.023 19274 370 1 1 . 1 1 69 69 PHE N N 69 122.710 122.710 123.558 -0.848 19274 371 1 1 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.255 -0.125 19274 372 1 1 . 1 1 69 69 PHE C C 69 177.160 177.160 176.606 0.554 19274 373 1 1 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.442 1.349 19274 374 1 1 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.941 1.129 19274 375 1 1 . 1 1 69 69 PHE H H 69 7.740 7.740 7.939 -0.199 19274 376 1 1 . 1 1 70 70 VAL N N 70 116.340 116.340 117.759 -1.419 19274 377 1 1 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.245 0.445 19274 378 1 1 . 1 1 70 70 VAL C C 70 178.010 178.010 178.217 -0.207 19274 379 1 1 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.790 0.601 19274 380 1 1 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.963 0.657 19274 381 1 1 . 1 1 70 70 VAL H H 70 8.600 8.600 8.002 0.598 19274 382 1 1 . 1 1 71 71 GLY N N 71 105.990 105.990 108.171 -2.181 19274 383 1 1 . 1 1 71 71 GLY C C 71 174.980 174.980 174.986 -0.006 19274 384 1 1 . 1 1 71 71 GLY CA C 71 46.750 46.750 46.847 -0.097 19274 385 1 1 . 1 1 71 71 GLY H H 71 7.690 7.690 7.548 0.142 19274 386 1 1 . 1 1 72 72 MET N N 72 117.740 117.740 118.690 -0.950 19274 387 1 1 . 1 1 72 72 MET HA H 72 4.260 4.260 4.290 -0.030 19274 388 1 1 . 1 1 72 72 MET C C 72 176.400 176.400 177.877 -1.477 19274 389 1 1 . 1 1 72 72 MET CA C 72 56.611 56.611 57.120 -0.509 19274 390 1 1 . 1 1 72 72 MET CB C 72 33.000 33.000 32.852 0.148 19274 391 1 1 . 1 1 72 72 MET H H 72 7.450 7.450 7.504 -0.054 19274 392 1 1 . 1 1 73 73 LEU N N 73 118.370 118.370 121.102 -2.732 19274 393 1 1 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.912 0.108 19274 394 1 1 . 1 1 73 73 LEU C C 73 176.700 176.700 176.939 -0.239 19274 395 1 1 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.127 -1.606 19274 396 1 1 . 1 1 73 73 LEU CB C 73 43.100 43.100 42.307 0.793 19274 397 1 1 . 1 1 73 73 LEU H H 73 7.380 7.380 7.640 -0.260 19274 398 1 1 . 1 1 74 74 PHE N N 74 117.280 117.280 117.013 0.267 19274 399 1 1 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.751 -0.261 19274 400 1 1 . 1 1 74 74 PHE C C 74 175.380 175.380 176.802 -1.422 19274 401 1 1 . 1 1 74 74 PHE CA C 74 57.381 57.381 57.046 0.335 19274 402 1 1 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.383 1.026 19274 403 1 1 . 1 1 74 74 PHE H H 74 7.830 7.830 7.937 -0.107 19274 404 1 1 . 1 1 75 75 LEU N N 75 120.310 120.310 121.034 -0.724 19274 405 1 1 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.279 -0.129 19274 406 1 1 . 1 1 75 75 LEU C C 75 176.640 176.640 177.999 -1.359 19274 407 1 1 . 1 1 75 75 LEU CA C 75 55.451 55.451 56.299 -0.848 19274 408 1 1 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.232 0.558 19274 409 1 1 . 1 1 75 75 LEU H H 75 7.270 7.270 7.809 -0.539 19274 410 1 1 . 1 1 76 76 TRP N N 76 119.350 119.350 118.624 0.726 19274 411 1 1 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.762 0.048 19274 412 1 1 . 1 1 76 76 TRP C C 76 175.050 175.050 176.779 -1.729 19274 413 1 1 . 1 1 76 76 TRP CA C 76 57.081 57.081 54.308 2.773 19274 414 1 1 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.441 2.259 19274 415 1 1 . 1 1 76 76 TRP H H 76 7.870 7.870 7.922 -0.052 19274 416 1 2 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.062 -0.992 19274 417 1 2 . 1 1 3 3 HIS CB C 3 31.760 31.760 29.791 1.970 19274 418 1 2 . 1 1 4 4 MET N N 4 120.140 120.140 120.863 -0.723 19274 419 1 2 . 1 1 4 4 MET HA H 4 4.390 4.390 4.058 0.332 19274 420 1 2 . 1 1 4 4 MET CA C 4 55.160 55.160 55.337 -0.178 19274 421 1 2 . 1 1 4 4 MET CB C 4 32.400 32.400 32.019 0.381 19274 422 1 2 . 1 1 4 4 MET H H 4 8.380 8.380 8.561 -0.181 19274 423 1 2 . 1 1 5 5 ASN N N 5 119.370 119.370 119.486 -0.116 19274 424 1 2 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.753 0.917 19274 425 1 2 . 1 1 5 5 ASN CB C 5 38.690 38.690 39.852 -1.162 19274 426 1 2 . 1 1 5 5 ASN H H 5 8.360 8.360 8.127 0.233 19274 427 1 2 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.540 0.160 19274 428 1 2 . 1 1 6 6 HIS C C 6 174.900 174.900 174.953 -0.053 19274 429 1 2 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.817 0.283 19274 430 1 2 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.082 0.838 19274 431 1 2 . 1 1 7 7 ILE N N 7 121.430 121.430 126.663 -5.233 19274 432 1 2 . 1 1 7 7 ILE HA H 7 4.080 4.080 3.974 0.106 19274 433 1 2 . 1 1 7 7 ILE C C 7 175.940 175.940 175.805 0.135 19274 434 1 2 . 1 1 7 7 ILE CA C 7 61.711 61.711 61.114 0.597 19274 435 1 2 . 1 1 7 7 ILE CB C 7 38.560 38.560 36.519 2.041 19274 436 1 2 . 1 1 7 7 ILE H H 7 8.090 8.090 8.137 -0.047 19274 437 1 2 . 1 1 8 8 ASN N N 8 121.280 121.280 127.126 -5.846 19274 438 1 2 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.706 0.174 19274 439 1 2 . 1 1 8 8 ASN C C 8 175.360 175.360 174.436 0.924 19274 440 1 2 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.765 -0.135 19274 441 1 2 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.259 1.331 19274 442 1 2 . 1 1 8 8 ASN H H 8 8.520 8.520 8.304 0.216 19274 443 1 2 . 1 1 9 9 THR N N 9 112.710 112.710 118.968 -6.258 19274 444 1 2 . 1 1 9 9 THR HA H 9 4.370 4.370 4.569 -0.199 19274 445 1 2 . 1 1 9 9 THR C C 9 174.690 174.690 174.021 0.669 19274 446 1 2 . 1 1 9 9 THR CA C 9 62.100 62.100 61.114 0.986 19274 447 1 2 . 1 1 9 9 THR CB C 9 71.021 71.021 70.974 0.047 19274 448 1 2 . 1 1 9 9 THR H H 9 8.020 8.020 7.727 0.293 19274 449 1 2 . 1 1 10 10 LYS N N 10 122.130 122.130 126.567 -4.437 19274 450 1 2 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.853 -0.593 19274 451 1 2 . 1 1 10 10 LYS C C 10 177.710 177.710 177.153 0.557 19274 452 1 2 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.123 3.077 19274 453 1 2 . 1 1 10 10 LYS CB C 10 32.070 32.070 30.694 1.376 19274 454 1 2 . 1 1 10 10 LYS H H 10 8.390 8.390 8.597 -0.207 19274 455 1 2 . 1 1 11 11 ALA N N 11 118.760 118.760 123.043 -4.283 19274 456 1 2 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.039 0.001 19274 457 1 2 . 1 1 11 11 ALA C C 11 180.540 180.540 179.427 1.113 19274 458 1 2 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.856 0.135 19274 459 1 2 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.302 -0.252 19274 460 1 2 . 1 1 11 11 ALA H H 11 8.120 8.120 7.552 0.568 19274 461 1 2 . 1 1 12 12 GLN N N 12 116.840 116.840 117.229 -0.389 19274 462 1 2 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.154 -0.114 19274 463 1 2 . 1 1 12 12 GLN C C 12 178.940 178.940 178.541 0.399 19274 464 1 2 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.601 -0.040 19274 465 1 2 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.147 0.973 19274 466 1 2 . 1 1 12 12 GLN H H 12 7.700 7.700 7.656 0.044 19274 467 1 2 . 1 1 13 13 VAL N N 13 121.610 121.610 119.573 2.037 19274 468 1 2 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.769 -0.309 19274 469 1 2 . 1 1 13 13 VAL C C 13 176.920 176.920 177.622 -0.702 19274 470 1 2 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.101 1.390 19274 471 1 2 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.332 -0.022 19274 472 1 2 . 1 1 13 13 VAL H H 13 7.990 7.990 7.838 0.152 19274 473 1 2 . 1 1 14 14 ILE N N 14 118.850 118.850 119.060 -0.210 19274 474 1 2 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.978 -0.178 19274 475 1 2 . 1 1 14 14 ILE C C 14 178.130 178.130 178.355 -0.225 19274 476 1 2 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.609 0.801 19274 477 1 2 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.761 -0.591 19274 478 1 2 . 1 1 14 14 ILE H H 14 8.220 8.220 7.289 0.931 19274 479 1 2 . 1 1 15 15 GLU N N 15 118.090 118.090 119.461 -1.371 19274 480 1 2 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.079 -0.119 19274 481 1 2 . 1 1 15 15 GLU C C 15 178.310 178.310 178.657 -0.347 19274 482 1 2 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.103 0.236 19274 483 1 2 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.392 -0.132 19274 484 1 2 . 1 1 15 15 GLU H H 15 7.940 7.940 8.284 -0.344 19274 485 1 2 . 1 1 16 16 ALA N N 16 120.860 120.860 122.437 -1.577 19274 486 1 2 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.145 -0.015 19274 487 1 2 . 1 1 16 16 ALA C C 16 180.840 180.840 179.621 1.219 19274 488 1 2 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.813 -0.012 19274 489 1 2 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.157 -0.367 19274 490 1 2 . 1 1 16 16 ALA H H 16 7.560 7.560 7.634 -0.074 19274 491 1 2 . 1 1 17 17 PHE N N 17 116.830 116.830 116.939 -0.109 19274 492 1 2 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.216 0.174 19274 493 1 2 . 1 1 17 17 PHE C C 17 177.550 177.550 177.508 0.042 19274 494 1 2 . 1 1 17 17 PHE CA C 17 59.931 59.931 62.014 -2.083 19274 495 1 2 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.242 -0.352 19274 496 1 2 . 1 1 17 17 PHE H H 17 7.730 7.730 7.736 -0.006 19274 497 1 2 . 1 1 18 18 LYS N N 18 119.360 119.360 118.727 0.633 19274 498 1 2 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.200 -0.230 19274 499 1 2 . 1 1 18 18 LYS C C 18 178.860 178.860 177.818 1.042 19274 500 1 2 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.715 0.916 19274 501 1 2 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.362 0.098 19274 502 1 2 . 1 1 18 18 LYS H H 18 8.290 8.290 7.441 0.849 19274 503 1 2 . 1 1 19 19 VAL N N 19 116.479 116.479 118.552 -2.073 19274 504 1 2 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.780 -0.130 19274 505 1 2 . 1 1 19 19 VAL C C 19 177.020 177.020 177.114 -0.094 19274 506 1 2 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.796 0.256 19274 507 1 2 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.378 0.612 19274 508 1 2 . 1 1 19 19 VAL H H 19 7.400 7.400 7.355 0.045 19274 509 1 2 . 1 1 20 20 PHE N N 20 118.120 118.120 119.452 -1.332 19274 510 1 2 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.044 0.286 19274 511 1 2 . 1 1 20 20 PHE C C 20 175.750 175.750 176.371 -0.621 19274 512 1 2 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.762 -0.971 19274 513 1 2 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.312 0.668 19274 514 1 2 . 1 1 20 20 PHE H H 20 7.260 7.260 7.336 -0.076 19274 515 1 2 . 1 1 21 21 ASP N N 21 120.640 120.640 119.484 1.156 19274 516 1 2 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.425 0.705 19274 517 1 2 . 1 1 21 21 ASP C C 21 176.520 176.520 176.210 0.310 19274 518 1 2 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.106 -0.566 19274 519 1 2 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.003 -0.023 19274 520 1 2 . 1 1 21 21 ASP H H 21 7.910 7.910 8.171 -0.261 19274 521 1 2 . 1 1 22 22 ARG N N 22 124.740 124.740 123.565 1.175 19274 522 1 2 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.128 0.002 19274 523 1 2 . 1 1 22 22 ARG C C 22 177.980 177.980 177.084 0.896 19274 524 1 2 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.375 1.056 19274 525 1 2 . 1 1 22 22 ARG CB C 22 30.390 30.390 29.993 0.397 19274 526 1 2 . 1 1 22 22 ARG H H 22 8.120 8.120 7.714 0.406 19274 527 1 2 . 1 1 23 23 ASP N N 23 116.400 116.400 116.443 -0.043 19274 528 1 2 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.570 0.180 19274 529 1 2 . 1 1 23 23 ASP C C 23 176.750 176.750 176.200 0.550 19274 530 1 2 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.584 0.137 19274 531 1 2 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.949 0.271 19274 532 1 2 . 1 1 23 23 ASP H H 23 8.670 8.670 7.996 0.674 19274 533 1 2 . 1 1 24 24 GLY N N 24 110.310 110.310 107.675 2.635 19274 534 1 2 . 1 1 24 24 GLY C C 24 175.410 175.410 174.835 0.575 19274 535 1 2 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.453 1.611 19274 536 1 2 . 1 1 24 24 GLY H H 24 8.000 8.000 7.942 0.058 19274 537 1 2 . 1 1 25 25 ASN N N 25 118.870 118.870 118.565 0.305 19274 538 1 2 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.383 0.477 19274 539 1 2 . 1 1 25 25 ASN C C 25 176.610 176.610 176.590 0.020 19274 540 1 2 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.016 -0.866 19274 541 1 2 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.794 0.636 19274 542 1 2 . 1 1 25 25 ASN H H 25 9.250 9.250 8.489 0.761 19274 543 1 2 . 1 1 26 26 GLY N N 26 110.130 110.130 105.943 4.187 19274 544 1 2 . 1 1 26 26 GLY C C 26 173.300 173.300 173.056 0.244 19274 545 1 2 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.074 0.516 19274 546 1 2 . 1 1 26 26 GLY H H 26 10.110 10.110 8.281 1.829 19274 547 1 2 . 1 1 27 27 TYR N N 27 118.030 118.030 115.719 2.311 19274 548 1 2 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.996 0.654 19274 549 1 2 . 1 1 27 27 TYR C C 27 176.130 176.130 173.160 2.970 19274 550 1 2 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.268 1.023 19274 551 1 2 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.583 0.907 19274 552 1 2 . 1 1 27 27 TYR H H 27 8.010 8.010 7.266 0.744 19274 553 1 2 . 1 1 28 28 VAL N N 28 111.260 111.260 114.329 -3.069 19274 554 1 2 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.976 0.164 19274 555 1 2 . 1 1 28 28 VAL C C 28 175.330 175.330 175.806 -0.476 19274 556 1 2 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.635 -0.544 19274 557 1 2 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.075 1.265 19274 558 1 2 . 1 1 28 28 VAL H H 28 8.810 8.810 8.646 0.164 19274 559 1 2 . 1 1 29 29 THR N N 29 111.560 111.560 111.127 0.433 19274 560 1 2 . 1 1 29 29 THR HA H 29 4.680 4.680 4.802 -0.122 19274 561 1 2 . 1 1 29 29 THR C C 29 176.260 176.260 175.911 0.349 19274 562 1 2 . 1 1 29 29 THR CA C 29 60.761 60.761 61.197 -0.436 19274 563 1 2 . 1 1 29 29 THR CB C 29 69.981 69.981 70.100 -0.119 19274 564 1 2 . 1 1 29 29 THR H H 29 7.450 7.450 8.634 -1.184 19274 565 1 2 . 1 1 30 30 VAL N N 30 119.990 119.990 121.876 -1.886 19274 566 1 2 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.820 -0.260 19274 567 1 2 . 1 1 30 30 VAL C C 30 177.080 177.080 176.477 0.603 19274 568 1 2 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.051 0.890 19274 569 1 2 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.747 -0.347 19274 570 1 2 . 1 1 30 30 VAL H H 30 7.990 7.990 7.927 0.063 19274 571 1 2 . 1 1 31 31 ASP N N 31 117.730 117.730 120.325 -2.595 19274 572 1 2 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.289 0.031 19274 573 1 2 . 1 1 31 31 ASP C C 31 178.650 178.650 177.777 0.873 19274 574 1 2 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.450 -0.039 19274 575 1 2 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.783 -0.073 19274 576 1 2 . 1 1 31 31 ASP H H 31 8.060 8.060 8.369 -0.309 19274 577 1 2 . 1 1 32 32 TYR N N 32 121.060 121.060 120.234 0.826 19274 578 1 2 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.959 0.241 19274 579 1 2 . 1 1 32 32 TYR C C 32 177.040 177.040 177.084 -0.044 19274 580 1 2 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.749 0.422 19274 581 1 2 . 1 1 32 32 TYR CB C 32 37.840 37.840 37.849 -0.009 19274 582 1 2 . 1 1 32 32 TYR H H 32 7.760 7.760 7.298 0.462 19274 583 1 2 . 1 1 33 33 LEU N N 33 120.480 120.480 120.311 0.169 19274 584 1 2 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.064 -0.114 19274 585 1 2 . 1 1 33 33 LEU C C 33 178.060 178.060 178.760 -0.700 19274 586 1 2 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.702 0.078 19274 587 1 2 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.068 0.072 19274 588 1 2 . 1 1 33 33 LEU H H 33 8.170 8.170 7.695 0.475 19274 589 1 2 . 1 1 34 34 ARG N N 34 115.900 115.900 117.608 -1.708 19274 590 1 2 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.984 -0.294 19274 591 1 2 . 1 1 34 34 ARG C C 34 178.210 178.210 178.527 -0.317 19274 592 1 2 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.421 0.960 19274 593 1 2 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.967 0.363 19274 594 1 2 . 1 1 34 34 ARG H H 34 8.260 8.260 7.975 0.285 19274 595 1 2 . 1 1 35 35 LYS N N 35 119.800 119.800 119.953 -0.153 19274 596 1 2 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.918 0.042 19274 597 1 2 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.419 0.432 19274 598 1 2 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.223 0.387 19274 599 1 2 . 1 1 35 35 LYS H H 35 7.460 7.460 7.461 -0.001 19274 600 1 2 . 1 1 36 36 VAL N N 36 119.380 119.380 118.869 0.511 19274 601 1 2 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.666 -0.166 19274 602 1 2 . 1 1 36 36 VAL C C 36 178.790 178.790 177.328 1.462 19274 603 1 2 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.617 1.574 19274 604 1 2 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.773 0.047 19274 605 1 2 . 1 1 36 36 VAL H H 36 8.020 8.020 7.264 0.756 19274 606 1 2 . 1 1 37 37 LEU N N 37 116.970 116.970 118.591 -1.621 19274 607 1 2 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.093 -0.033 19274 608 1 2 . 1 1 37 37 LEU C C 37 179.560 179.560 177.845 1.715 19274 609 1 2 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.474 1.517 19274 610 1 2 . 1 1 37 37 LEU CB C 37 41.010 41.010 40.941 0.069 19274 611 1 2 . 1 1 37 37 LEU H H 37 8.250 8.250 7.626 0.624 19274 612 1 2 . 1 1 38 38 ASN N N 38 116.710 116.710 118.578 -1.868 19274 613 1 2 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.493 0.087 19274 614 1 2 . 1 1 38 38 ASN C C 38 177.520 177.520 176.928 0.592 19274 615 1 2 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.695 0.255 19274 616 1 2 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.700 0.390 19274 617 1 2 . 1 1 38 38 ASN H H 38 8.120 8.120 7.810 0.310 19274 618 1 2 . 1 1 39 39 GLU N N 39 118.700 118.700 118.724 -0.024 19274 619 1 2 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.187 0.063 19274 620 1 2 . 1 1 39 39 GLU C C 39 177.680 177.680 178.268 -0.588 19274 621 1 2 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.230 -0.429 19274 622 1 2 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.661 -0.091 19274 623 1 2 . 1 1 39 39 GLU H H 39 7.800 7.800 7.744 0.056 19274 624 1 2 . 1 1 40 40 LEU N N 40 118.760 118.760 118.581 0.179 19274 625 1 2 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.458 -0.088 19274 626 1 2 . 1 1 40 40 LEU C C 40 177.940 177.940 178.182 -0.242 19274 627 1 2 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.625 0.126 19274 628 1 2 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.234 -0.104 19274 629 1 2 . 1 1 40 40 LEU H H 40 7.710 7.710 7.513 0.197 19274 630 1 2 . 1 1 41 41 GLY N N 41 106.700 106.700 105.510 1.190 19274 631 1 2 . 1 1 41 41 GLY CA C 41 46.100 46.100 45.432 0.668 19274 632 1 2 . 1 1 41 41 GLY H H 41 7.780 7.780 7.687 0.093 19274 633 1 2 . 1 1 42 42 ASP N N 42 120.920 120.920 120.247 0.673 19274 634 1 2 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.456 0.104 19274 635 1 2 . 1 1 42 42 ASP C C 42 176.280 176.280 177.548 -1.268 19274 636 1 2 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.548 -1.657 19274 637 1 2 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.297 -0.887 19274 638 1 2 . 1 1 42 42 ASP H H 42 8.440 8.440 7.483 0.957 19274 639 1 2 . 1 1 43 43 MET N N 43 118.550 118.550 116.622 1.928 19274 640 1 2 . 1 1 43 43 MET HA H 43 4.380 4.380 4.430 -0.050 19274 641 1 2 . 1 1 43 43 MET C C 43 175.810 175.810 176.807 -0.997 19274 642 1 2 . 1 1 43 43 MET CA C 43 56.801 56.801 56.609 0.192 19274 643 1 2 . 1 1 43 43 MET CB C 43 33.140 33.140 33.439 -0.299 19274 644 1 2 . 1 1 43 43 MET H H 43 8.180 8.180 7.689 0.491 19274 645 1 2 . 1 1 44 44 MET N N 44 119.050 119.050 120.055 -1.005 19274 646 1 2 . 1 1 44 44 MET HA H 44 4.870 4.870 4.853 0.017 19274 647 1 2 . 1 1 44 44 MET CA C 44 53.170 53.170 51.369 1.801 19274 648 1 2 . 1 1 44 44 MET CB C 44 33.870 33.870 31.450 2.421 19274 649 1 2 . 1 1 44 44 MET H H 44 7.920 7.920 7.634 0.286 19274 650 1 2 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.362 0.168 19274 651 1 2 . 1 1 45 45 PRO C C 45 177.450 177.450 176.705 0.745 19274 652 1 2 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.350 -0.599 19274 653 1 2 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.681 0.659 19274 654 1 2 . 1 1 46 46 ALA N N 46 126.480 126.480 127.911 -1.431 19274 655 1 2 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.980 0.110 19274 656 1 2 . 1 1 46 46 ALA CA C 46 55.531 55.531 55.094 0.437 19274 657 1 2 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.863 0.007 19274 658 1 2 . 1 1 46 46 ALA H H 46 8.660 8.660 8.367 0.293 19274 659 1 2 . 1 1 47 47 ASP N N 47 115.320 115.320 117.760 -2.440 19274 660 1 2 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.491 -0.091 19274 661 1 2 . 1 1 47 47 ASP C C 47 179.710 179.710 178.126 1.584 19274 662 1 2 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.197 -0.496 19274 663 1 2 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.336 -0.646 19274 664 1 2 . 1 1 47 47 ASP H H 47 8.840 8.840 8.628 0.212 19274 665 1 2 . 1 1 48 48 GLU N N 48 120.590 120.590 118.608 1.982 19274 666 1 2 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.092 0.178 19274 667 1 2 . 1 1 48 48 GLU C C 48 178.700 178.700 179.142 -0.442 19274 668 1 2 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.271 -0.750 19274 669 1 2 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.222 0.678 19274 670 1 2 . 1 1 48 48 GLU H H 48 7.580 7.580 8.592 -1.012 19274 671 1 2 . 1 1 49 49 ILE N N 49 119.990 119.990 120.381 -0.391 19274 672 1 2 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.851 -0.071 19274 673 1 2 . 1 1 49 49 ILE C C 49 177.640 177.640 178.449 -0.809 19274 674 1 2 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.370 -0.239 19274 675 1 2 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.966 -0.266 19274 676 1 2 . 1 1 49 49 ILE H H 49 7.690 7.690 7.525 0.165 19274 677 1 2 . 1 1 50 50 GLU N N 50 117.290 117.290 118.632 -1.342 19274 678 1 2 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.080 -0.110 19274 679 1 2 . 1 1 50 50 GLU C C 50 179.400 179.400 179.337 0.063 19274 680 1 2 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.467 -0.286 19274 681 1 2 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.310 -0.660 19274 682 1 2 . 1 1 50 50 GLU H H 50 8.040 8.040 8.378 -0.338 19274 683 1 2 . 1 1 51 51 GLU N N 51 119.160 119.160 119.792 -0.632 19274 684 1 2 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.059 0.161 19274 685 1 2 . 1 1 51 51 GLU C C 51 179.810 179.810 178.866 0.944 19274 686 1 2 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.704 0.747 19274 687 1 2 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.392 -0.082 19274 688 1 2 . 1 1 51 51 GLU H H 51 7.750 7.750 7.610 0.140 19274 689 1 2 . 1 1 52 52 MET N N 52 118.780 118.780 118.064 0.716 19274 690 1 2 . 1 1 52 52 MET HA H 52 4.200 4.200 4.359 -0.160 19274 691 1 2 . 1 1 52 52 MET CA C 52 59.191 59.191 57.306 1.885 19274 692 1 2 . 1 1 52 52 MET CB C 52 33.580 33.580 32.263 1.317 19274 693 1 2 . 1 1 52 52 MET H H 52 7.998 7.998 8.012 -0.014 19274 694 1 2 . 1 1 53 53 ILE N N 53 120.910 120.910 119.341 1.569 19274 695 1 2 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.276 0.254 19274 696 1 2 . 1 1 53 53 ILE C C 53 177.086 177.086 177.571 -0.485 19274 697 1 2 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.964 1.705 19274 698 1 2 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.516 0.164 19274 699 1 2 . 1 1 53 53 ILE H H 53 8.420 8.420 8.166 0.254 19274 700 1 2 . 1 1 54 54 TYR N N 54 119.030 119.030 118.717 0.313 19274 701 1 2 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.267 0.033 19274 702 1 2 . 1 1 54 54 TYR C C 54 177.910 177.910 177.683 0.227 19274 703 1 2 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.691 1.080 19274 704 1 2 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.854 -0.304 19274 705 1 2 . 1 1 54 54 TYR H H 54 7.850 7.850 7.746 0.104 19274 706 1 2 . 1 1 55 55 GLU N N 55 115.700 115.700 117.537 -1.837 19274 707 1 2 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.218 -0.318 19274 708 1 2 . 1 1 55 55 GLU C C 55 178.280 178.280 177.586 0.694 19274 709 1 2 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.577 0.814 19274 710 1 2 . 1 1 55 55 GLU CB C 55 29.510 29.510 28.994 0.516 19274 711 1 2 . 1 1 55 55 GLU H H 55 7.850 7.850 7.692 0.158 19274 712 1 2 . 1 1 56 56 ALA N N 56 119.710 119.710 122.286 -2.576 19274 713 1 2 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.031 0.359 19274 714 1 2 . 1 1 56 56 ALA C C 56 177.670 177.670 177.138 0.532 19274 715 1 2 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.726 -0.556 19274 716 1 2 . 1 1 56 56 ALA CB C 56 19.990 19.990 18.907 1.083 19274 717 1 2 . 1 1 56 56 ALA H H 56 8.009 8.009 7.416 0.593 19274 718 1 2 . 1 1 57 57 ASP N N 57 117.020 117.020 117.447 -0.427 19274 719 1 2 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.047 0.293 19274 720 1 2 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.547 1.763 19274 721 1 2 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.449 -0.579 19274 722 1 2 . 1 1 57 57 ASP H H 57 8.020 8.020 7.728 0.292 19274 723 1 2 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.604 -0.294 19274 724 1 2 . 1 1 58 58 PRO C C 58 178.470 178.470 177.622 0.848 19274 725 1 2 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.020 1.311 19274 726 1 2 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.441 -0.811 19274 727 1 2 . 1 1 59 59 GLN N N 59 115.810 115.810 115.884 -0.074 19274 728 1 2 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.163 0.347 19274 729 1 2 . 1 1 59 59 GLN C C 59 176.290 176.290 176.008 0.282 19274 730 1 2 . 1 1 59 59 GLN CA C 59 54.881 54.881 56.240 -1.359 19274 731 1 2 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.300 -0.720 19274 732 1 2 . 1 1 59 59 GLN H H 59 8.750 8.750 8.447 0.303 19274 733 1 2 . 1 1 60 60 ASN N N 60 118.250 118.250 114.695 3.555 19274 734 1 2 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.429 -0.029 19274 735 1 2 . 1 1 60 60 ASN C C 60 175.330 175.330 174.846 0.484 19274 736 1 2 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.569 0.842 19274 737 1 2 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.022 -0.252 19274 738 1 2 . 1 1 60 60 ASN H H 60 8.350 8.350 8.125 0.225 19274 739 1 2 . 1 1 61 61 SER N N 61 118.650 118.650 115.145 3.505 19274 740 1 2 . 1 1 61 61 SER HA H 61 4.300 4.300 4.454 -0.154 19274 741 1 2 . 1 1 61 61 SER C C 61 176.810 176.810 175.664 1.146 19274 742 1 2 . 1 1 61 61 SER CA C 61 60.881 60.881 59.292 1.589 19274 743 1 2 . 1 1 61 61 SER CB C 61 65.031 65.031 64.032 0.998 19274 744 1 2 . 1 1 61 61 SER H H 61 9.990 9.990 8.001 1.989 19274 745 1 2 . 1 1 62 62 GLY N N 62 112.630 112.630 108.930 3.700 19274 746 1 2 . 1 1 62 62 GLY C C 62 173.960 173.960 172.886 1.074 19274 747 1 2 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.045 0.285 19274 748 1 2 . 1 1 62 62 GLY H H 62 10.440 10.440 8.119 2.321 19274 749 1 2 . 1 1 63 63 TYR N N 63 121.250 121.250 118.504 2.746 19274 750 1 2 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.318 -0.068 19274 751 1 2 . 1 1 63 63 TYR C C 63 173.900 173.900 174.714 -0.814 19274 752 1 2 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.270 0.001 19274 753 1 2 . 1 1 63 63 TYR CB C 63 42.760 42.760 41.667 1.093 19274 754 1 2 . 1 1 63 63 TYR H H 63 8.180 8.180 7.877 0.303 19274 755 1 2 . 1 1 64 64 VAL N N 64 115.490 115.490 122.150 -6.660 19274 756 1 2 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.577 -0.097 19274 757 1 2 . 1 1 64 64 VAL C C 64 174.240 174.240 174.454 -0.214 19274 758 1 2 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.551 0.630 19274 759 1 2 . 1 1 64 64 VAL CB C 64 36.590 36.590 36.418 0.172 19274 760 1 2 . 1 1 64 64 VAL H H 64 8.930 8.930 9.063 -0.133 19274 761 1 2 . 1 1 65 65 GLN N N 65 128.370 128.370 129.562 -1.192 19274 762 1 2 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.442 -0.012 19274 763 1 2 . 1 1 65 65 GLN C C 65 177.110 177.110 176.545 0.565 19274 764 1 2 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.423 -0.252 19274 765 1 2 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.255 0.535 19274 766 1 2 . 1 1 65 65 GLN H H 65 8.870 8.870 8.812 0.058 19274 767 1 2 . 1 1 66 66 TYR N N 66 124.870 124.870 122.358 2.512 19274 768 1 2 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.031 -0.021 19274 769 1 2 . 1 1 66 66 TYR C C 66 176.650 176.650 176.979 -0.329 19274 770 1 2 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.329 -0.048 19274 771 1 2 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.308 0.202 19274 772 1 2 . 1 1 66 66 TYR H H 66 7.490 7.490 8.264 -0.774 19274 773 1 2 . 1 1 67 67 GLU N N 67 125.080 125.080 119.044 6.036 19274 774 1 2 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.744 0.206 19274 775 1 2 . 1 1 67 67 GLU C C 67 179.630 179.630 178.423 1.207 19274 776 1 2 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.119 1.622 19274 777 1 2 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.515 0.395 19274 778 1 2 . 1 1 67 67 GLU H H 67 9.010 9.010 7.985 1.025 19274 779 1 2 . 1 1 68 68 THR N N 68 114.620 114.620 112.854 1.766 19274 780 1 2 . 1 1 68 68 THR HA H 68 4.000 4.000 4.169 -0.169 19274 781 1 2 . 1 1 68 68 THR C C 68 176.510 176.510 176.399 0.111 19274 782 1 2 . 1 1 68 68 THR CA C 68 64.921 64.921 64.381 0.540 19274 783 1 2 . 1 1 68 68 THR CB C 68 68.451 68.451 69.062 -0.611 19274 784 1 2 . 1 1 68 68 THR H H 68 7.550 7.550 7.518 0.032 19274 785 1 2 . 1 1 69 69 PHE N N 69 122.710 122.710 121.971 0.739 19274 786 1 2 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.411 -0.281 19274 787 1 2 . 1 1 69 69 PHE C C 69 177.160 177.160 177.130 0.030 19274 788 1 2 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.519 1.272 19274 789 1 2 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.418 0.652 19274 790 1 2 . 1 1 69 69 PHE H H 69 7.740 7.740 7.844 -0.104 19274 791 1 2 . 1 1 70 70 VAL N N 70 116.340 116.340 117.785 -1.445 19274 792 1 2 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.311 0.379 19274 793 1 2 . 1 1 70 70 VAL C C 70 178.010 178.010 177.884 0.126 19274 794 1 2 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.193 1.198 19274 795 1 2 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.986 0.634 19274 796 1 2 . 1 1 70 70 VAL H H 70 8.600 8.600 7.829 0.771 19274 797 1 2 . 1 1 71 71 GLY N N 71 105.990 105.990 107.993 -2.003 19274 798 1 2 . 1 1 71 71 GLY C C 71 174.980 174.980 175.906 -0.926 19274 799 1 2 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.104 -0.354 19274 800 1 2 . 1 1 71 71 GLY H H 71 7.690 7.690 7.693 -0.003 19274 801 1 2 . 1 1 72 72 MET N N 72 117.740 117.740 119.956 -2.216 19274 802 1 2 . 1 1 72 72 MET HA H 72 4.260 4.260 4.075 0.185 19274 803 1 2 . 1 1 72 72 MET C C 72 176.400 176.400 177.386 -0.986 19274 804 1 2 . 1 1 72 72 MET CA C 72 56.611 56.611 58.119 -1.508 19274 805 1 2 . 1 1 72 72 MET CB C 72 33.000 33.000 32.120 0.880 19274 806 1 2 . 1 1 72 72 MET H H 72 7.450 7.450 7.465 -0.015 19274 807 1 2 . 1 1 73 73 LEU N N 73 118.370 118.370 118.336 0.034 19274 808 1 2 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.564 1.456 19274 809 1 2 . 1 1 73 73 LEU C C 73 176.700 176.700 177.636 -0.936 19274 810 1 2 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.782 -1.261 19274 811 1 2 . 1 1 73 73 LEU CB C 73 43.100 43.100 40.893 2.207 19274 812 1 2 . 1 1 73 73 LEU H H 73 7.380 7.380 7.199 0.181 19274 813 1 2 . 1 1 74 74 PHE N N 74 117.280 117.280 112.519 4.761 19274 814 1 2 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.484 0.006 19274 815 1 2 . 1 1 74 74 PHE C C 74 175.380 175.380 176.291 -0.911 19274 816 1 2 . 1 1 74 74 PHE CA C 74 57.381 57.381 57.981 -0.600 19274 817 1 2 . 1 1 74 74 PHE CB C 74 38.410 38.410 40.016 -1.605 19274 818 1 2 . 1 1 74 74 PHE H H 74 7.830 7.830 7.345 0.485 19274 819 1 2 . 1 1 75 75 LEU N N 75 120.310 120.310 118.917 1.393 19274 820 1 2 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.352 -0.202 19274 821 1 2 . 1 1 75 75 LEU C C 75 176.640 176.640 176.802 -0.162 19274 822 1 2 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.528 0.923 19274 823 1 2 . 1 1 75 75 LEU CB C 75 41.790 41.790 42.228 -0.438 19274 824 1 2 . 1 1 75 75 LEU H H 75 7.270 7.270 7.252 0.018 19274 825 1 2 . 1 1 76 76 TRP N N 76 119.350 119.350 121.286 -1.936 19274 826 1 2 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.454 0.356 19274 827 1 2 . 1 1 76 76 TRP C C 76 175.050 175.050 176.677 -1.627 19274 828 1 2 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.842 0.239 19274 829 1 2 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.482 1.218 19274 830 1 2 . 1 1 76 76 TRP H H 76 7.870 7.870 7.407 0.463 19274 831 1 3 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.955 -0.885 19274 832 1 3 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.866 0.893 19274 833 1 3 . 1 1 4 4 MET N N 4 120.140 120.140 122.657 -2.517 19274 834 1 3 . 1 1 4 4 MET HA H 4 4.390 4.390 4.399 -0.009 19274 835 1 3 . 1 1 4 4 MET CA C 4 55.160 55.160 56.870 -1.710 19274 836 1 3 . 1 1 4 4 MET CB C 4 32.400 32.400 33.265 -0.865 19274 837 1 3 . 1 1 4 4 MET H H 4 8.380 8.380 8.713 -0.333 19274 838 1 3 . 1 1 5 5 ASN N N 5 119.370 119.370 116.403 2.967 19274 839 1 3 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.112 1.558 19274 840 1 3 . 1 1 5 5 ASN CB C 5 38.690 38.690 40.477 -1.787 19274 841 1 3 . 1 1 5 5 ASN H H 5 8.360 8.360 7.885 0.475 19274 842 1 3 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.904 -0.204 19274 843 1 3 . 1 1 6 6 HIS C C 6 174.900 174.900 174.131 0.769 19274 844 1 3 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.609 0.491 19274 845 1 3 . 1 1 6 6 HIS CB C 6 29.920 29.920 30.644 -0.724 19274 846 1 3 . 1 1 7 7 ILE N N 7 121.430 121.430 126.033 -4.603 19274 847 1 3 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.245 -0.165 19274 848 1 3 . 1 1 7 7 ILE C C 7 175.940 175.940 174.859 1.081 19274 849 1 3 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.602 1.109 19274 850 1 3 . 1 1 7 7 ILE CB C 7 38.560 38.560 39.745 -1.185 19274 851 1 3 . 1 1 7 7 ILE H H 7 8.090 8.090 8.389 -0.299 19274 852 1 3 . 1 1 8 8 ASN N N 8 121.280 121.280 126.863 -5.583 19274 853 1 3 . 1 1 8 8 ASN HA H 8 4.880 4.880 5.015 -0.135 19274 854 1 3 . 1 1 8 8 ASN C C 8 175.360 175.360 174.560 0.800 19274 855 1 3 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.693 0.937 19274 856 1 3 . 1 1 8 8 ASN CB C 8 39.590 39.590 39.141 0.449 19274 857 1 3 . 1 1 8 8 ASN H H 8 8.520 8.520 8.707 -0.187 19274 858 1 3 . 1 1 9 9 THR N N 9 112.710 112.710 117.073 -4.363 19274 859 1 3 . 1 1 9 9 THR HA H 9 4.370 4.370 4.616 -0.246 19274 860 1 3 . 1 1 9 9 THR C C 9 174.690 174.690 174.275 0.415 19274 861 1 3 . 1 1 9 9 THR CA C 9 62.100 62.100 61.418 0.682 19274 862 1 3 . 1 1 9 9 THR CB C 9 71.021 71.021 71.962 -0.941 19274 863 1 3 . 1 1 9 9 THR H H 9 8.020 8.020 8.002 0.018 19274 864 1 3 . 1 1 10 10 LYS N N 10 122.130 122.130 124.073 -1.943 19274 865 1 3 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.082 0.178 19274 866 1 3 . 1 1 10 10 LYS C C 10 177.710 177.710 178.060 -0.350 19274 867 1 3 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.745 1.455 19274 868 1 3 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.570 0.500 19274 869 1 3 . 1 1 10 10 LYS H H 10 8.390 8.390 8.416 -0.026 19274 870 1 3 . 1 1 11 11 ALA N N 11 118.760 118.760 121.156 -2.396 19274 871 1 3 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.023 0.017 19274 872 1 3 . 1 1 11 11 ALA C C 11 180.540 180.540 179.772 0.768 19274 873 1 3 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.118 -0.127 19274 874 1 3 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.073 -0.023 19274 875 1 3 . 1 1 11 11 ALA H H 11 8.120 8.120 8.316 -0.196 19274 876 1 3 . 1 1 12 12 GLN N N 12 116.840 116.840 117.646 -0.806 19274 877 1 3 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.127 -0.087 19274 878 1 3 . 1 1 12 12 GLN C C 12 178.940 178.940 178.626 0.314 19274 879 1 3 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.357 0.204 19274 880 1 3 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.342 0.778 19274 881 1 3 . 1 1 12 12 GLN H H 12 7.700 7.700 7.537 0.163 19274 882 1 3 . 1 1 13 13 VAL N N 13 121.610 121.610 120.198 1.412 19274 883 1 3 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.760 -0.300 19274 884 1 3 . 1 1 13 13 VAL C C 13 176.920 176.920 177.976 -1.056 19274 885 1 3 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.330 1.161 19274 886 1 3 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.868 -0.558 19274 887 1 3 . 1 1 13 13 VAL H H 13 7.990 7.990 7.385 0.605 19274 888 1 3 . 1 1 14 14 ILE N N 14 118.850 118.850 120.369 -1.519 19274 889 1 3 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.907 -0.107 19274 890 1 3 . 1 1 14 14 ILE C C 14 178.130 178.130 178.106 0.024 19274 891 1 3 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.429 -0.019 19274 892 1 3 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.871 -0.701 19274 893 1 3 . 1 1 14 14 ILE H H 14 8.220 8.220 8.004 0.216 19274 894 1 3 . 1 1 15 15 GLU N N 15 118.090 118.090 118.921 -0.831 19274 895 1 3 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.088 -0.128 19274 896 1 3 . 1 1 15 15 GLU C C 15 178.310 178.310 178.855 -0.545 19274 897 1 3 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.566 0.774 19274 898 1 3 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.720 0.541 19274 899 1 3 . 1 1 15 15 GLU H H 15 7.940 7.940 7.944 -0.004 19274 900 1 3 . 1 1 16 16 ALA N N 16 120.860 120.860 122.412 -1.552 19274 901 1 3 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.169 -0.039 19274 902 1 3 . 1 1 16 16 ALA C C 16 180.840 180.840 179.958 0.882 19274 903 1 3 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.983 -0.182 19274 904 1 3 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.158 -0.368 19274 905 1 3 . 1 1 16 16 ALA H H 16 7.560 7.560 7.705 -0.145 19274 906 1 3 . 1 1 17 17 PHE N N 17 116.830 116.830 116.926 -0.096 19274 907 1 3 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.213 0.177 19274 908 1 3 . 1 1 17 17 PHE C C 17 177.550 177.550 177.581 -0.031 19274 909 1 3 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.858 -1.927 19274 910 1 3 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.249 -0.359 19274 911 1 3 . 1 1 17 17 PHE H H 17 7.730 7.730 7.728 0.002 19274 912 1 3 . 1 1 18 18 LYS N N 18 119.360 119.360 118.754 0.606 19274 913 1 3 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.215 -0.245 19274 914 1 3 . 1 1 18 18 LYS C C 18 178.860 178.860 177.928 0.932 19274 915 1 3 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.131 0.500 19274 916 1 3 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.547 -0.087 19274 917 1 3 . 1 1 18 18 LYS H H 18 8.290 8.290 7.907 0.383 19274 918 1 3 . 1 1 19 19 VAL N N 19 116.479 116.479 117.641 -1.162 19274 919 1 3 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.881 -0.231 19274 920 1 3 . 1 1 19 19 VAL C C 19 177.020 177.020 176.747 0.273 19274 921 1 3 . 1 1 19 19 VAL CA C 19 65.051 65.051 63.651 1.400 19274 922 1 3 . 1 1 19 19 VAL CB C 19 31.990 31.990 32.077 -0.087 19274 923 1 3 . 1 1 19 19 VAL H H 19 7.400 7.400 7.772 -0.372 19274 924 1 3 . 1 1 20 20 PHE N N 20 118.120 118.120 119.832 -1.712 19274 925 1 3 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.080 0.250 19274 926 1 3 . 1 1 20 20 PHE C C 20 175.750 175.750 176.238 -0.488 19274 927 1 3 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.958 -1.167 19274 928 1 3 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.270 0.710 19274 929 1 3 . 1 1 20 20 PHE H H 20 7.260 7.260 7.289 -0.029 19274 930 1 3 . 1 1 21 21 ASP N N 21 120.640 120.640 119.116 1.524 19274 931 1 3 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.516 0.614 19274 932 1 3 . 1 1 21 21 ASP C C 21 176.520 176.520 176.232 0.288 19274 933 1 3 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.430 -0.890 19274 934 1 3 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.197 -0.217 19274 935 1 3 . 1 1 21 21 ASP H H 21 7.910 7.910 8.141 -0.231 19274 936 1 3 . 1 1 22 22 ARG N N 22 124.740 124.740 124.767 -0.027 19274 937 1 3 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.191 -0.061 19274 938 1 3 . 1 1 22 22 ARG C C 22 177.980 177.980 177.061 0.919 19274 939 1 3 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.261 1.169 19274 940 1 3 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.465 -0.075 19274 941 1 3 . 1 1 22 22 ARG H H 22 8.120 8.120 7.619 0.501 19274 942 1 3 . 1 1 23 23 ASP N N 23 116.400 116.400 118.390 -1.990 19274 943 1 3 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.418 0.332 19274 944 1 3 . 1 1 23 23 ASP C C 23 176.750 176.750 176.700 0.050 19274 945 1 3 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.646 0.075 19274 946 1 3 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.280 -0.060 19274 947 1 3 . 1 1 23 23 ASP H H 23 8.670 8.670 7.925 0.745 19274 948 1 3 . 1 1 24 24 GLY N N 24 110.310 110.310 107.235 3.075 19274 949 1 3 . 1 1 24 24 GLY C C 24 175.410 175.410 175.077 0.333 19274 950 1 3 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.117 1.947 19274 951 1 3 . 1 1 24 24 GLY H H 24 8.000 8.000 7.995 0.005 19274 952 1 3 . 1 1 25 25 ASN N N 25 118.870 118.870 118.786 0.084 19274 953 1 3 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.467 0.393 19274 954 1 3 . 1 1 25 25 ASN C C 25 176.610 176.610 176.525 0.085 19274 955 1 3 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.180 -1.030 19274 956 1 3 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.023 0.407 19274 957 1 3 . 1 1 25 25 ASN H H 25 9.250 9.250 8.405 0.845 19274 958 1 3 . 1 1 26 26 GLY N N 26 110.130 110.130 108.679 1.451 19274 959 1 3 . 1 1 26 26 GLY C C 26 173.300 173.300 173.083 0.217 19274 960 1 3 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.889 -0.299 19274 961 1 3 . 1 1 26 26 GLY H H 26 10.110 10.110 8.583 1.527 19274 962 1 3 . 1 1 27 27 TYR N N 27 118.030 118.030 118.974 -0.944 19274 963 1 3 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.612 0.038 19274 964 1 3 . 1 1 27 27 TYR C C 27 176.130 176.130 174.481 1.649 19274 965 1 3 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.467 1.824 19274 966 1 3 . 1 1 27 27 TYR CB C 27 41.490 41.490 41.102 0.388 19274 967 1 3 . 1 1 27 27 TYR H H 27 8.010 8.010 7.143 0.867 19274 968 1 3 . 1 1 28 28 VAL N N 28 111.260 111.260 121.510 -10.250 19274 969 1 3 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.701 0.439 19274 970 1 3 . 1 1 28 28 VAL C C 28 175.330 175.330 176.451 -1.121 19274 971 1 3 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.876 -1.785 19274 972 1 3 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.453 0.887 19274 973 1 3 . 1 1 28 28 VAL H H 28 8.810 8.810 9.102 -0.292 19274 974 1 3 . 1 1 29 29 THR N N 29 111.560 111.560 115.613 -4.053 19274 975 1 3 . 1 1 29 29 THR HA H 29 4.680 4.680 4.494 0.186 19274 976 1 3 . 1 1 29 29 THR C C 29 176.260 176.260 175.466 0.794 19274 977 1 3 . 1 1 29 29 THR CA C 29 60.761 60.761 62.177 -1.416 19274 978 1 3 . 1 1 29 29 THR CB C 29 69.981 69.981 69.788 0.193 19274 979 1 3 . 1 1 29 29 THR H H 29 7.450 7.450 8.520 -1.070 19274 980 1 3 . 1 1 30 30 VAL N N 30 119.990 119.990 120.424 -0.434 19274 981 1 3 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.832 -0.272 19274 982 1 3 . 1 1 30 30 VAL C C 30 177.080 177.080 176.589 0.491 19274 983 1 3 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.466 1.475 19274 984 1 3 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.666 -0.266 19274 985 1 3 . 1 1 30 30 VAL H H 30 7.990 7.990 7.933 0.057 19274 986 1 3 . 1 1 31 31 ASP N N 31 117.730 117.730 121.714 -3.984 19274 987 1 3 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.228 0.092 19274 988 1 3 . 1 1 31 31 ASP C C 31 178.650 178.650 177.556 1.094 19274 989 1 3 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.641 -0.230 19274 990 1 3 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.711 -0.001 19274 991 1 3 . 1 1 31 31 ASP H H 31 8.060 8.060 8.452 -0.392 19274 992 1 3 . 1 1 32 32 TYR N N 32 121.060 121.060 119.629 1.431 19274 993 1 3 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.095 0.105 19274 994 1 3 . 1 1 32 32 TYR C C 32 177.040 177.040 177.074 -0.034 19274 995 1 3 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.272 0.899 19274 996 1 3 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.091 -0.251 19274 997 1 3 . 1 1 32 32 TYR H H 32 7.760 7.760 7.622 0.138 19274 998 1 3 . 1 1 33 33 LEU N N 33 120.480 120.480 121.190 -0.710 19274 999 1 3 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.131 -0.181 19274 1000 1 3 . 1 1 33 33 LEU C C 33 178.060 178.060 178.677 -0.617 19274 1001 1 3 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.805 -0.025 19274 1002 1 3 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.084 0.056 19274 1003 1 3 . 1 1 33 33 LEU H H 33 8.170 8.170 7.691 0.479 19274 1004 1 3 . 1 1 34 34 ARG N N 34 115.900 115.900 117.563 -1.663 19274 1005 1 3 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.876 -0.186 19274 1006 1 3 . 1 1 34 34 ARG C C 34 178.210 178.210 178.540 -0.330 19274 1007 1 3 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.532 0.849 19274 1008 1 3 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.010 0.320 19274 1009 1 3 . 1 1 34 34 ARG H H 34 8.260 8.260 8.002 0.258 19274 1010 1 3 . 1 1 35 35 LYS N N 35 119.800 119.800 119.710 0.090 19274 1011 1 3 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.962 -0.002 19274 1012 1 3 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.363 0.488 19274 1013 1 3 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.270 0.340 19274 1014 1 3 . 1 1 35 35 LYS H H 35 7.460 7.460 7.276 0.184 19274 1015 1 3 . 1 1 36 36 VAL N N 36 119.380 119.380 118.940 0.440 19274 1016 1 3 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.669 -0.169 19274 1017 1 3 . 1 1 36 36 VAL C C 36 178.790 178.790 177.601 1.189 19274 1018 1 3 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.673 1.518 19274 1019 1 3 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.103 0.717 19274 1020 1 3 . 1 1 36 36 VAL H H 36 8.020 8.020 7.312 0.708 19274 1021 1 3 . 1 1 37 37 LEU N N 37 116.970 116.970 118.003 -1.033 19274 1022 1 3 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.211 -0.151 19274 1023 1 3 . 1 1 37 37 LEU C C 37 179.560 179.560 177.209 2.351 19274 1024 1 3 . 1 1 37 37 LEU CA C 37 57.991 57.991 55.628 2.363 19274 1025 1 3 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.137 -0.127 19274 1026 1 3 . 1 1 37 37 LEU H H 37 8.250 8.250 7.488 0.762 19274 1027 1 3 . 1 1 38 38 ASN N N 38 116.710 116.710 117.884 -1.174 19274 1028 1 3 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.484 0.096 19274 1029 1 3 . 1 1 38 38 ASN C C 38 177.520 177.520 177.864 -0.344 19274 1030 1 3 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.049 -0.099 19274 1031 1 3 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.982 0.108 19274 1032 1 3 . 1 1 38 38 ASN H H 38 8.120 8.120 7.595 0.525 19274 1033 1 3 . 1 1 39 39 GLU N N 39 118.700 118.700 120.101 -1.401 19274 1034 1 3 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.152 0.098 19274 1035 1 3 . 1 1 39 39 GLU C C 39 177.680 177.680 177.750 -0.070 19274 1036 1 3 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.731 -0.930 19274 1037 1 3 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.361 0.209 19274 1038 1 3 . 1 1 39 39 GLU H H 39 7.800 7.800 7.804 -0.004 19274 1039 1 3 . 1 1 40 40 LEU N N 40 118.760 118.760 119.496 -0.736 19274 1040 1 3 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.610 -0.240 19274 1041 1 3 . 1 1 40 40 LEU C C 40 177.940 177.940 177.484 0.456 19274 1042 1 3 . 1 1 40 40 LEU CA C 40 55.751 55.751 53.927 1.824 19274 1043 1 3 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.567 0.563 19274 1044 1 3 . 1 1 40 40 LEU H H 40 7.710 7.710 7.485 0.225 19274 1045 1 3 . 1 1 41 41 GLY N N 41 106.700 106.700 108.395 -1.695 19274 1046 1 3 . 1 1 41 41 GLY CA C 41 46.100 46.100 46.926 -0.826 19274 1047 1 3 . 1 1 41 41 GLY H H 41 7.780 7.780 7.731 0.049 19274 1048 1 3 . 1 1 42 42 ASP N N 42 120.920 120.920 120.947 -0.027 19274 1049 1 3 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.402 0.158 19274 1050 1 3 . 1 1 42 42 ASP C C 42 176.280 176.280 177.529 -1.249 19274 1051 1 3 . 1 1 42 42 ASP CA C 42 54.891 54.891 57.179 -2.288 19274 1052 1 3 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.762 -0.352 19274 1053 1 3 . 1 1 42 42 ASP H H 42 8.440 8.440 8.307 0.133 19274 1054 1 3 . 1 1 43 43 MET N N 43 118.550 118.550 117.097 1.453 19274 1055 1 3 . 1 1 43 43 MET HA H 43 4.380 4.380 4.295 0.085 19274 1056 1 3 . 1 1 43 43 MET C C 43 175.810 175.810 176.917 -1.107 19274 1057 1 3 . 1 1 43 43 MET CA C 43 56.801 56.801 57.172 -0.371 19274 1058 1 3 . 1 1 43 43 MET CB C 43 33.140 33.140 33.881 -0.741 19274 1059 1 3 . 1 1 43 43 MET H H 43 8.180 8.180 7.491 0.689 19274 1060 1 3 . 1 1 44 44 MET N N 44 119.050 119.050 118.333 0.717 19274 1061 1 3 . 1 1 44 44 MET HA H 44 4.870 4.870 4.903 -0.033 19274 1062 1 3 . 1 1 44 44 MET CA C 44 53.170 53.170 52.058 1.112 19274 1063 1 3 . 1 1 44 44 MET CB C 44 33.870 33.870 32.228 1.641 19274 1064 1 3 . 1 1 44 44 MET H H 44 7.920 7.920 8.000 -0.080 19274 1065 1 3 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.579 -0.049 19274 1066 1 3 . 1 1 45 45 PRO C C 45 177.450 177.450 177.540 -0.090 19274 1067 1 3 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.335 -0.584 19274 1068 1 3 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.451 0.889 19274 1069 1 3 . 1 1 46 46 ALA N N 46 126.480 126.480 128.377 -1.897 19274 1070 1 3 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.988 0.102 19274 1071 1 3 . 1 1 46 46 ALA CA C 46 55.531 55.531 55.196 0.335 19274 1072 1 3 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.980 -0.109 19274 1073 1 3 . 1 1 46 46 ALA H H 46 8.660 8.660 8.238 0.422 19274 1074 1 3 . 1 1 47 47 ASP N N 47 115.320 115.320 118.039 -2.719 19274 1075 1 3 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.555 -0.155 19274 1076 1 3 . 1 1 47 47 ASP C C 47 179.710 179.710 178.335 1.375 19274 1077 1 3 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.522 -0.821 19274 1078 1 3 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.804 -1.114 19274 1079 1 3 . 1 1 47 47 ASP H H 47 8.840 8.840 8.559 0.281 19274 1080 1 3 . 1 1 48 48 GLU N N 48 120.590 120.590 119.426 1.164 19274 1081 1 3 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.198 0.072 19274 1082 1 3 . 1 1 48 48 GLU C C 48 178.700 178.700 178.938 -0.238 19274 1083 1 3 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.733 -0.212 19274 1084 1 3 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.458 0.442 19274 1085 1 3 . 1 1 48 48 GLU H H 48 7.580 7.580 7.737 -0.157 19274 1086 1 3 . 1 1 49 49 ILE N N 49 119.990 119.990 120.196 -0.206 19274 1087 1 3 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.584 0.196 19274 1088 1 3 . 1 1 49 49 ILE C C 49 177.640 177.640 178.166 -0.526 19274 1089 1 3 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.154 -0.023 19274 1090 1 3 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.869 -0.169 19274 1091 1 3 . 1 1 49 49 ILE H H 49 7.690 7.690 7.781 -0.091 19274 1092 1 3 . 1 1 50 50 GLU N N 50 117.290 117.290 118.806 -1.516 19274 1093 1 3 . 1 1 50 50 GLU HA H 50 3.970 3.970 3.995 -0.025 19274 1094 1 3 . 1 1 50 50 GLU C C 50 179.400 179.400 178.955 0.445 19274 1095 1 3 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.722 -0.541 19274 1096 1 3 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.223 -0.573 19274 1097 1 3 . 1 1 50 50 GLU H H 50 8.040 8.040 8.092 -0.052 19274 1098 1 3 . 1 1 51 51 GLU N N 51 119.160 119.160 119.592 -0.432 19274 1099 1 3 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.111 0.109 19274 1100 1 3 . 1 1 51 51 GLU C C 51 179.810 179.810 179.156 0.654 19274 1101 1 3 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.977 0.474 19274 1102 1 3 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.434 -0.124 19274 1103 1 3 . 1 1 51 51 GLU H H 51 7.750 7.750 7.579 0.171 19274 1104 1 3 . 1 1 52 52 MET N N 52 118.780 118.780 118.426 0.354 19274 1105 1 3 . 1 1 52 52 MET HA H 52 4.200 4.200 4.459 -0.259 19274 1106 1 3 . 1 1 52 52 MET CA C 52 59.191 59.191 58.904 0.287 19274 1107 1 3 . 1 1 52 52 MET CB C 52 33.580 33.580 33.030 0.550 19274 1108 1 3 . 1 1 52 52 MET H H 52 7.998 7.998 7.705 0.293 19274 1109 1 3 . 1 1 53 53 ILE N N 53 120.910 120.910 120.211 0.699 19274 1110 1 3 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.273 0.257 19274 1111 1 3 . 1 1 53 53 ILE C C 53 177.086 177.086 177.445 -0.359 19274 1112 1 3 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.751 1.917 19274 1113 1 3 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.329 0.351 19274 1114 1 3 . 1 1 53 53 ILE H H 53 8.420 8.420 8.074 0.346 19274 1115 1 3 . 1 1 54 54 TYR N N 54 119.030 119.030 118.166 0.864 19274 1116 1 3 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.076 0.224 19274 1117 1 3 . 1 1 54 54 TYR C C 54 177.910 177.910 177.585 0.325 19274 1118 1 3 . 1 1 54 54 TYR CA C 54 60.771 60.771 61.465 -0.694 19274 1119 1 3 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.629 -0.079 19274 1120 1 3 . 1 1 54 54 TYR H H 54 7.850 7.850 7.786 0.064 19274 1121 1 3 . 1 1 55 55 GLU N N 55 115.700 115.700 117.561 -1.861 19274 1122 1 3 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.109 -0.209 19274 1123 1 3 . 1 1 55 55 GLU C C 55 178.280 178.280 177.745 0.535 19274 1124 1 3 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.960 0.431 19274 1125 1 3 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.695 -0.185 19274 1126 1 3 . 1 1 55 55 GLU H H 55 7.850 7.850 7.573 0.277 19274 1127 1 3 . 1 1 56 56 ALA N N 56 119.710 119.710 121.533 -1.823 19274 1128 1 3 . 1 1 56 56 ALA HA H 56 4.390 4.390 3.926 0.464 19274 1129 1 3 . 1 1 56 56 ALA C C 56 177.670 177.670 176.354 1.316 19274 1130 1 3 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.766 -0.596 19274 1131 1 3 . 1 1 56 56 ALA CB C 56 19.990 19.990 18.744 1.246 19274 1132 1 3 . 1 1 56 56 ALA H H 56 8.009 8.009 7.630 0.379 19274 1133 1 3 . 1 1 57 57 ASP N N 57 117.020 117.020 116.404 0.616 19274 1134 1 3 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.273 0.067 19274 1135 1 3 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.216 2.094 19274 1136 1 3 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.062 -1.192 19274 1137 1 3 . 1 1 57 57 ASP H H 57 8.020 8.020 7.740 0.280 19274 1138 1 3 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.553 -0.243 19274 1139 1 3 . 1 1 58 58 PRO C C 58 178.470 178.470 177.086 1.384 19274 1140 1 3 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.476 1.855 19274 1141 1 3 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.295 -0.665 19274 1142 1 3 . 1 1 59 59 GLN N N 59 115.810 115.810 119.007 -3.197 19274 1143 1 3 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.202 0.308 19274 1144 1 3 . 1 1 59 59 GLN C C 59 176.290 176.290 175.830 0.460 19274 1145 1 3 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.690 -0.809 19274 1146 1 3 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.865 -1.285 19274 1147 1 3 . 1 1 59 59 GLN H H 59 8.750 8.750 7.936 0.814 19274 1148 1 3 . 1 1 60 60 ASN N N 60 118.250 118.250 114.949 3.301 19274 1149 1 3 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.495 -0.095 19274 1150 1 3 . 1 1 60 60 ASN C C 60 175.330 175.330 174.526 0.804 19274 1151 1 3 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.073 0.338 19274 1152 1 3 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.071 -0.301 19274 1153 1 3 . 1 1 60 60 ASN H H 60 8.350 8.350 8.137 0.213 19274 1154 1 3 . 1 1 61 61 SER N N 61 118.650 118.650 113.600 5.050 19274 1155 1 3 . 1 1 61 61 SER HA H 61 4.300 4.300 4.593 -0.293 19274 1156 1 3 . 1 1 61 61 SER C C 61 176.810 176.810 174.275 2.535 19274 1157 1 3 . 1 1 61 61 SER CA C 61 60.881 60.881 58.484 2.397 19274 1158 1 3 . 1 1 61 61 SER CB C 61 65.031 65.031 64.581 0.450 19274 1159 1 3 . 1 1 61 61 SER H H 61 9.990 9.990 8.001 1.989 19274 1160 1 3 . 1 1 62 62 GLY N N 62 112.630 112.630 110.016 2.614 19274 1161 1 3 . 1 1 62 62 GLY C C 62 173.960 173.960 172.768 1.192 19274 1162 1 3 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.097 0.233 19274 1163 1 3 . 1 1 62 62 GLY H H 62 10.440 10.440 8.107 2.333 19274 1164 1 3 . 1 1 63 63 TYR N N 63 121.250 121.250 119.412 1.838 19274 1165 1 3 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.924 0.326 19274 1166 1 3 . 1 1 63 63 TYR C C 63 173.900 173.900 173.640 0.260 19274 1167 1 3 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.381 -0.110 19274 1168 1 3 . 1 1 63 63 TYR CB C 63 42.760 42.760 40.656 2.104 19274 1169 1 3 . 1 1 63 63 TYR H H 63 8.180 8.180 8.109 0.071 19274 1170 1 3 . 1 1 64 64 VAL N N 64 115.490 115.490 120.966 -5.476 19274 1171 1 3 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.646 -0.166 19274 1172 1 3 . 1 1 64 64 VAL C C 64 174.240 174.240 174.326 -0.086 19274 1173 1 3 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.213 0.968 19274 1174 1 3 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.653 0.937 19274 1175 1 3 . 1 1 64 64 VAL H H 64 8.930 8.930 8.046 0.884 19274 1176 1 3 . 1 1 65 65 GLN N N 65 128.370 128.370 128.635 -0.265 19274 1177 1 3 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.351 0.079 19274 1178 1 3 . 1 1 65 65 GLN C C 65 177.110 177.110 176.122 0.988 19274 1179 1 3 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.113 0.058 19274 1180 1 3 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.935 -0.145 19274 1181 1 3 . 1 1 65 65 GLN H H 65 8.870 8.870 8.816 0.054 19274 1182 1 3 . 1 1 66 66 TYR N N 66 124.870 124.870 122.150 2.720 19274 1183 1 3 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.984 0.026 19274 1184 1 3 . 1 1 66 66 TYR C C 66 176.650 176.650 176.866 -0.216 19274 1185 1 3 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.675 -0.394 19274 1186 1 3 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.994 0.516 19274 1187 1 3 . 1 1 66 66 TYR H H 66 7.490 7.490 8.172 -0.682 19274 1188 1 3 . 1 1 67 67 GLU N N 67 125.080 125.080 118.429 6.651 19274 1189 1 3 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.872 0.078 19274 1190 1 3 . 1 1 67 67 GLU C C 67 179.630 179.630 177.638 1.992 19274 1191 1 3 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.389 1.352 19274 1192 1 3 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.128 -0.218 19274 1193 1 3 . 1 1 67 67 GLU H H 67 9.010 9.010 8.082 0.928 19274 1194 1 3 . 1 1 68 68 THR N N 68 114.620 114.620 112.350 2.270 19274 1195 1 3 . 1 1 68 68 THR HA H 68 4.000 4.000 4.093 -0.093 19274 1196 1 3 . 1 1 68 68 THR C C 68 176.510 176.510 176.297 0.213 19274 1197 1 3 . 1 1 68 68 THR CA C 68 64.921 64.921 64.845 0.076 19274 1198 1 3 . 1 1 68 68 THR CB C 68 68.451 68.451 68.798 -0.347 19274 1199 1 3 . 1 1 68 68 THR H H 68 7.550 7.550 7.325 0.225 19274 1200 1 3 . 1 1 69 69 PHE N N 69 122.710 122.710 122.822 -0.112 19274 1201 1 3 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.328 -0.198 19274 1202 1 3 . 1 1 69 69 PHE C C 69 177.160 177.160 176.746 0.414 19274 1203 1 3 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.577 1.214 19274 1204 1 3 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.478 0.592 19274 1205 1 3 . 1 1 69 69 PHE H H 69 7.740 7.740 7.719 0.021 19274 1206 1 3 . 1 1 70 70 VAL N N 70 116.340 116.340 117.026 -0.686 19274 1207 1 3 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.537 0.153 19274 1208 1 3 . 1 1 70 70 VAL C C 70 178.010 178.010 177.938 0.072 19274 1209 1 3 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.326 1.065 19274 1210 1 3 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.194 0.426 19274 1211 1 3 . 1 1 70 70 VAL H H 70 8.600 8.600 8.180 0.420 19274 1212 1 3 . 1 1 71 71 GLY N N 71 105.990 105.990 108.027 -2.037 19274 1213 1 3 . 1 1 71 71 GLY C C 71 174.980 174.980 176.251 -1.271 19274 1214 1 3 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.199 -0.449 19274 1215 1 3 . 1 1 71 71 GLY H H 71 7.690 7.690 7.616 0.074 19274 1216 1 3 . 1 1 72 72 MET N N 72 117.740 117.740 121.012 -3.272 19274 1217 1 3 . 1 1 72 72 MET HA H 72 4.260 4.260 4.261 -0.001 19274 1218 1 3 . 1 1 72 72 MET C C 72 176.400 176.400 177.649 -1.249 19274 1219 1 3 . 1 1 72 72 MET CA C 72 56.611 56.611 58.057 -1.446 19274 1220 1 3 . 1 1 72 72 MET CB C 72 33.000 33.000 32.409 0.591 19274 1221 1 3 . 1 1 72 72 MET H H 72 7.450 7.450 7.338 0.112 19274 1222 1 3 . 1 1 73 73 LEU N N 73 118.370 118.370 118.530 -0.160 19274 1223 1 3 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.751 0.269 19274 1224 1 3 . 1 1 73 73 LEU C C 73 176.700 176.700 177.961 -1.261 19274 1225 1 3 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.645 -1.124 19274 1226 1 3 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.518 1.582 19274 1227 1 3 . 1 1 73 73 LEU H H 73 7.380 7.380 7.589 -0.209 19274 1228 1 3 . 1 1 74 74 PHE N N 74 117.280 117.280 115.517 1.763 19274 1229 1 3 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.843 -0.353 19274 1230 1 3 . 1 1 74 74 PHE C C 74 175.380 175.380 174.939 0.441 19274 1231 1 3 . 1 1 74 74 PHE CA C 74 57.381 57.381 57.739 -0.358 19274 1232 1 3 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.315 0.095 19274 1233 1 3 . 1 1 74 74 PHE H H 74 7.830 7.830 7.705 0.125 19274 1234 1 3 . 1 1 75 75 LEU N N 75 120.310 120.310 119.597 0.713 19274 1235 1 3 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.649 -0.499 19274 1236 1 3 . 1 1 75 75 LEU C C 75 176.640 176.640 176.574 0.066 19274 1237 1 3 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.002 0.449 19274 1238 1 3 . 1 1 75 75 LEU CB C 75 41.790 41.790 44.393 -2.603 19274 1239 1 3 . 1 1 75 75 LEU H H 75 7.270 7.270 7.793 -0.523 19274 1240 1 3 . 1 1 76 76 TRP N N 76 119.350 119.350 122.051 -2.701 19274 1241 1 3 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.508 0.302 19274 1242 1 3 . 1 1 76 76 TRP C C 76 175.050 175.050 175.543 -0.493 19274 1243 1 3 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.281 0.800 19274 1244 1 3 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.209 1.491 19274 1245 1 3 . 1 1 76 76 TRP H H 76 7.870 7.870 7.975 -0.105 19274 1246 1 4 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.529 -0.459 19274 1247 1 4 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.926 0.834 19274 1248 1 4 . 1 1 4 4 MET N N 4 120.140 120.140 121.217 -1.077 19274 1249 1 4 . 1 1 4 4 MET HA H 4 4.390 4.390 4.539 -0.149 19274 1250 1 4 . 1 1 4 4 MET CA C 4 55.160 55.160 55.407 -0.247 19274 1251 1 4 . 1 1 4 4 MET CB C 4 32.400 32.400 33.302 -0.902 19274 1252 1 4 . 1 1 4 4 MET H H 4 8.380 8.380 8.508 -0.128 19274 1253 1 4 . 1 1 5 5 ASN N N 5 119.370 119.370 118.242 1.128 19274 1254 1 4 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.371 0.298 19274 1255 1 4 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.775 -0.085 19274 1256 1 4 . 1 1 5 5 ASN H H 5 8.360 8.360 8.540 -0.180 19274 1257 1 4 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.529 0.171 19274 1258 1 4 . 1 1 6 6 HIS C C 6 174.900 174.900 174.439 0.461 19274 1259 1 4 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.938 0.162 19274 1260 1 4 . 1 1 6 6 HIS CB C 6 29.920 29.920 28.165 1.755 19274 1261 1 4 . 1 1 7 7 ILE N N 7 121.430 121.430 126.378 -4.948 19274 1262 1 4 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.230 -0.150 19274 1263 1 4 . 1 1 7 7 ILE C C 7 175.940 175.940 174.231 1.709 19274 1264 1 4 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.809 0.902 19274 1265 1 4 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.665 -0.105 19274 1266 1 4 . 1 1 7 7 ILE H H 7 8.090 8.090 7.726 0.364 19274 1267 1 4 . 1 1 8 8 ASN N N 8 121.280 121.280 126.427 -5.147 19274 1268 1 4 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.921 -0.041 19274 1269 1 4 . 1 1 8 8 ASN C C 8 175.360 175.360 173.663 1.697 19274 1270 1 4 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.123 0.506 19274 1271 1 4 . 1 1 8 8 ASN CB C 8 39.590 39.590 40.025 -0.435 19274 1272 1 4 . 1 1 8 8 ASN H H 8 8.520 8.520 8.534 -0.014 19274 1273 1 4 . 1 1 9 9 THR N N 9 112.710 112.710 118.435 -5.725 19274 1274 1 4 . 1 1 9 9 THR HA H 9 4.370 4.370 4.626 -0.256 19274 1275 1 4 . 1 1 9 9 THR C C 9 174.690 174.690 174.383 0.307 19274 1276 1 4 . 1 1 9 9 THR CA C 9 62.100 62.100 60.527 1.573 19274 1277 1 4 . 1 1 9 9 THR CB C 9 71.021 71.021 70.696 0.325 19274 1278 1 4 . 1 1 9 9 THR H H 9 8.020 8.020 8.209 -0.189 19274 1279 1 4 . 1 1 10 10 LYS N N 10 122.130 122.130 122.062 0.068 19274 1280 1 4 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.633 -0.373 19274 1281 1 4 . 1 1 10 10 LYS C C 10 177.710 177.710 177.576 0.134 19274 1282 1 4 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.673 1.527 19274 1283 1 4 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.571 0.499 19274 1284 1 4 . 1 1 10 10 LYS H H 10 8.390 8.390 8.851 -0.461 19274 1285 1 4 . 1 1 11 11 ALA N N 11 118.760 118.760 122.616 -3.856 19274 1286 1 4 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.016 0.024 19274 1287 1 4 . 1 1 11 11 ALA C C 11 180.540 180.540 179.771 0.769 19274 1288 1 4 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.000 -0.009 19274 1289 1 4 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.070 -0.020 19274 1290 1 4 . 1 1 11 11 ALA H H 11 8.120 8.120 7.600 0.520 19274 1291 1 4 . 1 1 12 12 GLN N N 12 116.840 116.840 117.790 -0.950 19274 1292 1 4 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.164 -0.124 19274 1293 1 4 . 1 1 12 12 GLN C C 12 178.940 178.940 178.750 0.190 19274 1294 1 4 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.409 0.152 19274 1295 1 4 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.299 0.821 19274 1296 1 4 . 1 1 12 12 GLN H H 12 7.700 7.700 7.586 0.114 19274 1297 1 4 . 1 1 13 13 VAL N N 13 121.610 121.610 119.232 2.378 19274 1298 1 4 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.744 -0.284 19274 1299 1 4 . 1 1 13 13 VAL C C 13 176.920 176.920 177.812 -0.892 19274 1300 1 4 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.609 1.882 19274 1301 1 4 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.552 -0.242 19274 1302 1 4 . 1 1 13 13 VAL H H 13 7.990 7.990 7.196 0.794 19274 1303 1 4 . 1 1 14 14 ILE N N 14 118.850 118.850 120.508 -1.658 19274 1304 1 4 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.677 0.123 19274 1305 1 4 . 1 1 14 14 ILE C C 14 178.130 178.130 178.019 0.111 19274 1306 1 4 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.468 -0.058 19274 1307 1 4 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.890 -0.720 19274 1308 1 4 . 1 1 14 14 ILE H H 14 8.220 8.220 7.561 0.659 19274 1309 1 4 . 1 1 15 15 GLU N N 15 118.090 118.090 118.977 -0.887 19274 1310 1 4 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.042 -0.082 19274 1311 1 4 . 1 1 15 15 GLU C C 15 178.310 178.310 178.562 -0.252 19274 1312 1 4 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.172 0.168 19274 1313 1 4 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.244 0.016 19274 1314 1 4 . 1 1 15 15 GLU H H 15 7.940 7.940 8.289 -0.349 19274 1315 1 4 . 1 1 16 16 ALA N N 16 120.860 120.860 120.969 -0.109 19274 1316 1 4 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.151 -0.021 19274 1317 1 4 . 1 1 16 16 ALA C C 16 180.840 180.840 178.111 2.729 19274 1318 1 4 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.287 0.514 19274 1319 1 4 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.241 -0.451 19274 1320 1 4 . 1 1 16 16 ALA H H 16 7.560 7.560 7.665 -0.105 19274 1321 1 4 . 1 1 17 17 PHE N N 17 116.830 116.830 117.254 -0.424 19274 1322 1 4 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.620 -0.230 19274 1323 1 4 . 1 1 17 17 PHE C C 17 177.550 177.550 177.558 -0.008 19274 1324 1 4 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.268 -1.337 19274 1325 1 4 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.773 -0.883 19274 1326 1 4 . 1 1 17 17 PHE H H 17 7.730 7.730 7.667 0.063 19274 1327 1 4 . 1 1 18 18 LYS N N 18 119.360 119.360 118.555 0.805 19274 1328 1 4 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.217 -0.247 19274 1329 1 4 . 1 1 18 18 LYS C C 18 178.860 178.860 177.564 1.296 19274 1330 1 4 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.840 0.791 19274 1331 1 4 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.302 0.158 19274 1332 1 4 . 1 1 18 18 LYS H H 18 8.290 8.290 7.837 0.453 19274 1333 1 4 . 1 1 19 19 VAL N N 19 116.479 116.479 118.238 -1.759 19274 1334 1 4 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.796 -0.146 19274 1335 1 4 . 1 1 19 19 VAL C C 19 177.020 177.020 177.103 -0.083 19274 1336 1 4 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.473 0.578 19274 1337 1 4 . 1 1 19 19 VAL CB C 19 31.990 31.990 32.009 -0.019 19274 1338 1 4 . 1 1 19 19 VAL H H 19 7.400 7.400 7.659 -0.259 19274 1339 1 4 . 1 1 20 20 PHE N N 20 118.120 118.120 118.296 -0.176 19274 1340 1 4 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.323 0.007 19274 1341 1 4 . 1 1 20 20 PHE C C 20 175.750 175.750 175.573 0.177 19274 1342 1 4 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.128 -0.337 19274 1343 1 4 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.882 0.098 19274 1344 1 4 . 1 1 20 20 PHE H H 20 7.260 7.260 7.468 -0.208 19274 1345 1 4 . 1 1 21 21 ASP N N 21 120.640 120.640 120.026 0.614 19274 1346 1 4 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.372 0.758 19274 1347 1 4 . 1 1 21 21 ASP C C 21 176.520 176.520 176.674 -0.154 19274 1348 1 4 . 1 1 21 21 ASP CA C 21 52.540 52.540 54.366 -1.826 19274 1349 1 4 . 1 1 21 21 ASP CB C 21 39.980 39.980 41.213 -1.233 19274 1350 1 4 . 1 1 21 21 ASP H H 21 7.910 7.910 7.754 0.156 19274 1351 1 4 . 1 1 22 22 ARG N N 22 124.740 124.740 126.594 -1.854 19274 1352 1 4 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.147 -0.017 19274 1353 1 4 . 1 1 22 22 ARG C C 22 177.980 177.980 177.248 0.732 19274 1354 1 4 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.952 0.479 19274 1355 1 4 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.375 0.015 19274 1356 1 4 . 1 1 22 22 ARG H H 22 8.120 8.120 8.286 -0.166 19274 1357 1 4 . 1 1 23 23 ASP N N 23 116.400 116.400 115.884 0.516 19274 1358 1 4 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.602 0.148 19274 1359 1 4 . 1 1 23 23 ASP C C 23 176.750 176.750 176.362 0.388 19274 1360 1 4 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.537 0.184 19274 1361 1 4 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.021 0.199 19274 1362 1 4 . 1 1 23 23 ASP H H 23 8.670 8.670 8.245 0.425 19274 1363 1 4 . 1 1 24 24 GLY N N 24 110.310 110.310 108.031 2.279 19274 1364 1 4 . 1 1 24 24 GLY C C 24 175.410 175.410 174.736 0.674 19274 1365 1 4 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.395 1.669 19274 1366 1 4 . 1 1 24 24 GLY H H 24 8.000 8.000 8.037 -0.037 19274 1367 1 4 . 1 1 25 25 ASN N N 25 118.870 118.870 117.955 0.915 19274 1368 1 4 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.361 0.499 19274 1369 1 4 . 1 1 25 25 ASN C C 25 176.610 176.610 175.986 0.624 19274 1370 1 4 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.589 -1.439 19274 1371 1 4 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.527 -0.097 19274 1372 1 4 . 1 1 25 25 ASN H H 25 9.250 9.250 8.560 0.690 19274 1373 1 4 . 1 1 26 26 GLY N N 26 110.130 110.130 106.339 3.791 19274 1374 1 4 . 1 1 26 26 GLY C C 26 173.300 173.300 172.898 0.402 19274 1375 1 4 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.108 0.482 19274 1376 1 4 . 1 1 26 26 GLY H H 26 10.110 10.110 8.253 1.857 19274 1377 1 4 . 1 1 27 27 TYR N N 27 118.030 118.030 118.243 -0.213 19274 1378 1 4 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.440 0.210 19274 1379 1 4 . 1 1 27 27 TYR C C 27 176.130 176.130 174.011 2.119 19274 1380 1 4 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.025 1.266 19274 1381 1 4 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.737 0.753 19274 1382 1 4 . 1 1 27 27 TYR H H 27 8.010 8.010 7.282 0.728 19274 1383 1 4 . 1 1 28 28 VAL N N 28 111.260 111.260 115.158 -3.898 19274 1384 1 4 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.945 0.195 19274 1385 1 4 . 1 1 28 28 VAL C C 28 175.330 175.330 175.556 -0.226 19274 1386 1 4 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.363 -0.272 19274 1387 1 4 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.581 0.759 19274 1388 1 4 . 1 1 28 28 VAL H H 28 8.810 8.810 8.593 0.217 19274 1389 1 4 . 1 1 29 29 THR N N 29 111.560 111.560 111.308 0.252 19274 1390 1 4 . 1 1 29 29 THR HA H 29 4.680 4.680 4.771 -0.091 19274 1391 1 4 . 1 1 29 29 THR C C 29 176.260 176.260 175.717 0.543 19274 1392 1 4 . 1 1 29 29 THR CA C 29 60.761 60.761 61.067 -0.306 19274 1393 1 4 . 1 1 29 29 THR CB C 29 69.981 69.981 69.766 0.215 19274 1394 1 4 . 1 1 29 29 THR H H 29 7.450 7.450 8.248 -0.798 19274 1395 1 4 . 1 1 30 30 VAL N N 30 119.990 119.990 121.496 -1.506 19274 1396 1 4 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.985 -0.425 19274 1397 1 4 . 1 1 30 30 VAL C C 30 177.080 177.080 176.154 0.926 19274 1398 1 4 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.123 1.818 19274 1399 1 4 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.891 -0.491 19274 1400 1 4 . 1 1 30 30 VAL H H 30 7.990 7.990 7.962 0.028 19274 1401 1 4 . 1 1 31 31 ASP N N 31 117.730 117.730 120.621 -2.891 19274 1402 1 4 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.313 0.007 19274 1403 1 4 . 1 1 31 31 ASP C C 31 178.650 178.650 177.868 0.782 19274 1404 1 4 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.216 0.195 19274 1405 1 4 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.011 0.699 19274 1406 1 4 . 1 1 31 31 ASP H H 31 8.060 8.060 8.572 -0.512 19274 1407 1 4 . 1 1 32 32 TYR N N 32 121.060 121.060 120.604 0.456 19274 1408 1 4 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.165 0.035 19274 1409 1 4 . 1 1 32 32 TYR C C 32 177.040 177.040 176.988 0.052 19274 1410 1 4 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.796 0.375 19274 1411 1 4 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.818 -0.978 19274 1412 1 4 . 1 1 32 32 TYR H H 32 7.760 7.760 7.471 0.289 19274 1413 1 4 . 1 1 33 33 LEU N N 33 120.480 120.480 121.049 -0.569 19274 1414 1 4 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.307 -0.357 19274 1415 1 4 . 1 1 33 33 LEU C C 33 178.060 178.060 178.538 -0.478 19274 1416 1 4 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.534 0.246 19274 1417 1 4 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.210 -0.070 19274 1418 1 4 . 1 1 33 33 LEU H H 33 8.170 8.170 7.679 0.491 19274 1419 1 4 . 1 1 34 34 ARG N N 34 115.900 115.900 116.856 -0.956 19274 1420 1 4 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.076 -0.386 19274 1421 1 4 . 1 1 34 34 ARG C C 34 178.210 178.210 178.713 -0.503 19274 1422 1 4 . 1 1 34 34 ARG CA C 34 60.381 60.381 58.819 1.562 19274 1423 1 4 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.911 0.419 19274 1424 1 4 . 1 1 34 34 ARG H H 34 8.260 8.260 8.023 0.237 19274 1425 1 4 . 1 1 35 35 LYS N N 35 119.800 119.800 120.983 -1.183 19274 1426 1 4 . 1 1 35 35 LYS HA H 35 3.960 3.960 4.008 -0.048 19274 1427 1 4 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.321 0.530 19274 1428 1 4 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.182 0.428 19274 1429 1 4 . 1 1 35 35 LYS H H 35 7.460 7.460 7.439 0.021 19274 1430 1 4 . 1 1 36 36 VAL N N 36 119.380 119.380 119.099 0.281 19274 1431 1 4 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.852 -0.352 19274 1432 1 4 . 1 1 36 36 VAL C C 36 178.790 178.790 177.716 1.074 19274 1433 1 4 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.612 1.579 19274 1434 1 4 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.514 0.306 19274 1435 1 4 . 1 1 36 36 VAL H H 36 8.020 8.020 7.148 0.872 19274 1436 1 4 . 1 1 37 37 LEU N N 37 116.970 116.970 117.311 -0.341 19274 1437 1 4 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.280 -0.220 19274 1438 1 4 . 1 1 37 37 LEU C C 37 179.560 179.560 177.278 2.282 19274 1439 1 4 . 1 1 37 37 LEU CA C 37 57.991 57.991 55.893 2.098 19274 1440 1 4 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.306 -0.296 19274 1441 1 4 . 1 1 37 37 LEU H H 37 8.250 8.250 7.684 0.566 19274 1442 1 4 . 1 1 38 38 ASN N N 38 116.710 116.710 118.119 -1.409 19274 1443 1 4 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.533 0.047 19274 1444 1 4 . 1 1 38 38 ASN C C 38 177.520 177.520 177.714 -0.194 19274 1445 1 4 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.184 -0.234 19274 1446 1 4 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.919 0.171 19274 1447 1 4 . 1 1 38 38 ASN H H 38 8.120 8.120 7.548 0.572 19274 1448 1 4 . 1 1 39 39 GLU N N 39 118.700 118.700 120.261 -1.561 19274 1449 1 4 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.207 0.043 19274 1450 1 4 . 1 1 39 39 GLU C C 39 177.680 177.680 178.388 -0.708 19274 1451 1 4 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.479 -0.678 19274 1452 1 4 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.379 0.191 19274 1453 1 4 . 1 1 39 39 GLU H H 39 7.800 7.800 7.741 0.059 19274 1454 1 4 . 1 1 40 40 LEU N N 40 118.760 118.760 119.706 -0.946 19274 1455 1 4 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.589 -0.219 19274 1456 1 4 . 1 1 40 40 LEU C C 40 177.940 177.940 177.883 0.057 19274 1457 1 4 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.167 1.584 19274 1458 1 4 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.509 0.621 19274 1459 1 4 . 1 1 40 40 LEU H H 40 7.710 7.710 7.555 0.155 19274 1460 1 4 . 1 1 41 41 GLY N N 41 106.700 106.700 107.973 -1.273 19274 1461 1 4 . 1 1 41 41 GLY CA C 41 46.100 46.100 45.917 0.183 19274 1462 1 4 . 1 1 41 41 GLY H H 41 7.780 7.780 7.610 0.170 19274 1463 1 4 . 1 1 42 42 ASP N N 42 120.920 120.920 120.406 0.514 19274 1464 1 4 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.432 0.128 19274 1465 1 4 . 1 1 42 42 ASP C C 42 176.280 176.280 177.688 -1.408 19274 1466 1 4 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.617 -1.726 19274 1467 1 4 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.017 -0.607 19274 1468 1 4 . 1 1 42 42 ASP H H 42 8.440 8.440 7.840 0.600 19274 1469 1 4 . 1 1 43 43 MET N N 43 118.550 118.550 117.905 0.645 19274 1470 1 4 . 1 1 43 43 MET HA H 43 4.380 4.380 4.381 -0.001 19274 1471 1 4 . 1 1 43 43 MET C C 43 175.810 175.810 176.637 -0.827 19274 1472 1 4 . 1 1 43 43 MET CA C 43 56.801 56.801 56.677 0.124 19274 1473 1 4 . 1 1 43 43 MET CB C 43 33.140 33.140 33.325 -0.185 19274 1474 1 4 . 1 1 43 43 MET H H 43 8.180 8.180 7.883 0.297 19274 1475 1 4 . 1 1 44 44 MET N N 44 119.050 119.050 117.035 2.015 19274 1476 1 4 . 1 1 44 44 MET HA H 44 4.870 4.870 4.911 -0.041 19274 1477 1 4 . 1 1 44 44 MET CA C 44 53.170 53.170 51.647 1.523 19274 1478 1 4 . 1 1 44 44 MET CB C 44 33.870 33.870 34.010 -0.140 19274 1479 1 4 . 1 1 44 44 MET H H 44 7.920 7.920 7.862 0.058 19274 1480 1 4 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.355 0.175 19274 1481 1 4 . 1 1 45 45 PRO C C 45 177.450 177.450 177.505 -0.055 19274 1482 1 4 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.424 -0.673 19274 1483 1 4 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.989 0.351 19274 1484 1 4 . 1 1 46 46 ALA N N 46 126.480 126.480 127.740 -1.260 19274 1485 1 4 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.005 0.085 19274 1486 1 4 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.767 0.764 19274 1487 1 4 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.663 0.207 19274 1488 1 4 . 1 1 46 46 ALA H H 46 8.660 8.660 8.726 -0.066 19274 1489 1 4 . 1 1 47 47 ASP N N 47 115.320 115.320 117.783 -2.463 19274 1490 1 4 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.449 -0.049 19274 1491 1 4 . 1 1 47 47 ASP C C 47 179.710 179.710 178.309 1.401 19274 1492 1 4 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.280 -0.579 19274 1493 1 4 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.812 -1.122 19274 1494 1 4 . 1 1 47 47 ASP H H 47 8.840 8.840 8.614 0.226 19274 1495 1 4 . 1 1 48 48 GLU N N 48 120.590 120.590 118.350 2.240 19274 1496 1 4 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.028 0.242 19274 1497 1 4 . 1 1 48 48 GLU C C 48 178.700 178.700 179.269 -0.569 19274 1498 1 4 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.020 -0.499 19274 1499 1 4 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.294 0.606 19274 1500 1 4 . 1 1 48 48 GLU H H 48 7.580 7.580 7.764 -0.184 19274 1501 1 4 . 1 1 49 49 ILE N N 49 119.990 119.990 119.385 0.605 19274 1502 1 4 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.002 -0.222 19274 1503 1 4 . 1 1 49 49 ILE C C 49 177.640 177.640 178.200 -0.560 19274 1504 1 4 . 1 1 49 49 ILE CA C 49 65.131 65.131 64.539 0.592 19274 1505 1 4 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.118 -0.418 19274 1506 1 4 . 1 1 49 49 ILE H H 49 7.690 7.690 7.353 0.337 19274 1507 1 4 . 1 1 50 50 GLU N N 50 117.290 117.290 119.890 -2.600 19274 1508 1 4 . 1 1 50 50 GLU HA H 50 3.970 3.970 3.972 -0.002 19274 1509 1 4 . 1 1 50 50 GLU C C 50 179.400 179.400 178.689 0.711 19274 1510 1 4 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.570 -0.389 19274 1511 1 4 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.124 -0.474 19274 1512 1 4 . 1 1 50 50 GLU H H 50 8.040 8.040 8.217 -0.177 19274 1513 1 4 . 1 1 51 51 GLU N N 51 119.160 119.160 119.435 -0.275 19274 1514 1 4 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.507 0.713 19274 1515 1 4 . 1 1 51 51 GLU C C 51 179.810 179.810 178.758 1.052 19274 1516 1 4 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.250 0.201 19274 1517 1 4 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.634 -0.324 19274 1518 1 4 . 1 1 51 51 GLU H H 51 7.750 7.750 7.705 0.045 19274 1519 1 4 . 1 1 52 52 MET N N 52 118.780 118.780 116.961 1.819 19274 1520 1 4 . 1 1 52 52 MET HA H 52 4.200 4.200 4.360 -0.160 19274 1521 1 4 . 1 1 52 52 MET CA C 52 59.191 59.191 58.453 0.738 19274 1522 1 4 . 1 1 52 52 MET CB C 52 33.580 33.580 32.957 0.623 19274 1523 1 4 . 1 1 52 52 MET H H 52 7.998 7.998 7.400 0.598 19274 1524 1 4 . 1 1 53 53 ILE N N 53 120.910 120.910 120.357 0.553 19274 1525 1 4 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.428 0.102 19274 1526 1 4 . 1 1 53 53 ILE C C 53 177.086 177.086 177.879 -0.793 19274 1527 1 4 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.793 1.876 19274 1528 1 4 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.487 0.193 19274 1529 1 4 . 1 1 53 53 ILE H H 53 8.420 8.420 7.879 0.541 19274 1530 1 4 . 1 1 54 54 TYR N N 54 119.030 119.030 118.446 0.584 19274 1531 1 4 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.256 0.044 19274 1532 1 4 . 1 1 54 54 TYR C C 54 177.910 177.910 177.859 0.051 19274 1533 1 4 . 1 1 54 54 TYR CA C 54 60.771 60.771 57.924 2.847 19274 1534 1 4 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.152 0.398 19274 1535 1 4 . 1 1 54 54 TYR H H 54 7.850 7.850 7.767 0.083 19274 1536 1 4 . 1 1 55 55 GLU N N 55 115.700 115.700 116.990 -1.290 19274 1537 1 4 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.236 -0.336 19274 1538 1 4 . 1 1 55 55 GLU C C 55 178.280 178.280 177.889 0.391 19274 1539 1 4 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.541 0.850 19274 1540 1 4 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.133 0.377 19274 1541 1 4 . 1 1 55 55 GLU H H 55 7.850 7.850 7.855 -0.005 19274 1542 1 4 . 1 1 56 56 ALA N N 56 119.710 119.710 122.420 -2.710 19274 1543 1 4 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.130 0.260 19274 1544 1 4 . 1 1 56 56 ALA C C 56 177.670 177.670 177.002 0.668 19274 1545 1 4 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.943 -0.773 19274 1546 1 4 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.157 0.833 19274 1547 1 4 . 1 1 56 56 ALA H H 56 8.009 8.009 7.602 0.407 19274 1548 1 4 . 1 1 57 57 ASP N N 57 117.020 117.020 117.067 -0.047 19274 1549 1 4 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.076 0.264 19274 1550 1 4 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.729 1.581 19274 1551 1 4 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.952 -1.082 19274 1552 1 4 . 1 1 57 57 ASP H H 57 8.020 8.020 7.838 0.182 19274 1553 1 4 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.500 -0.190 19274 1554 1 4 . 1 1 58 58 PRO C C 58 178.470 178.470 177.407 1.063 19274 1555 1 4 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.703 1.628 19274 1556 1 4 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.441 -0.811 19274 1557 1 4 . 1 1 59 59 GLN N N 59 115.810 115.810 116.977 -1.167 19274 1558 1 4 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.133 0.377 19274 1559 1 4 . 1 1 59 59 GLN C C 59 176.290 176.290 176.318 -0.028 19274 1560 1 4 . 1 1 59 59 GLN CA C 59 54.881 54.881 56.555 -1.674 19274 1561 1 4 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.463 -0.883 19274 1562 1 4 . 1 1 59 59 GLN H H 59 8.750 8.750 8.173 0.577 19274 1563 1 4 . 1 1 60 60 ASN N N 60 118.250 118.250 114.670 3.580 19274 1564 1 4 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.405 -0.005 19274 1565 1 4 . 1 1 60 60 ASN C C 60 175.330 175.330 174.911 0.419 19274 1566 1 4 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.943 0.468 19274 1567 1 4 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.451 -0.681 19274 1568 1 4 . 1 1 60 60 ASN H H 60 8.350 8.350 8.177 0.173 19274 1569 1 4 . 1 1 61 61 SER N N 61 118.650 118.650 114.477 4.173 19274 1570 1 4 . 1 1 61 61 SER HA H 61 4.300 4.300 4.540 -0.240 19274 1571 1 4 . 1 1 61 61 SER C C 61 176.810 176.810 174.609 2.201 19274 1572 1 4 . 1 1 61 61 SER CA C 61 60.881 60.881 58.527 2.354 19274 1573 1 4 . 1 1 61 61 SER CB C 61 65.031 65.031 64.076 0.955 19274 1574 1 4 . 1 1 61 61 SER H H 61 9.990 9.990 8.021 1.969 19274 1575 1 4 . 1 1 62 62 GLY N N 62 112.630 112.630 110.528 2.102 19274 1576 1 4 . 1 1 62 62 GLY C C 62 173.960 173.960 172.883 1.077 19274 1577 1 4 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.375 -0.045 19274 1578 1 4 . 1 1 62 62 GLY H H 62 10.440 10.440 7.900 2.540 19274 1579 1 4 . 1 1 63 63 TYR N N 63 121.250 121.250 120.006 1.244 19274 1580 1 4 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.983 0.267 19274 1581 1 4 . 1 1 63 63 TYR C C 63 173.900 173.900 174.051 -0.151 19274 1582 1 4 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.906 0.365 19274 1583 1 4 . 1 1 63 63 TYR CB C 63 42.760 42.760 40.385 2.375 19274 1584 1 4 . 1 1 63 63 TYR H H 63 8.180 8.180 7.996 0.184 19274 1585 1 4 . 1 1 64 64 VAL N N 64 115.490 115.490 121.538 -6.048 19274 1586 1 4 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.441 0.039 19274 1587 1 4 . 1 1 64 64 VAL C C 64 174.240 174.240 174.625 -0.385 19274 1588 1 4 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.211 0.970 19274 1589 1 4 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.800 1.790 19274 1590 1 4 . 1 1 64 64 VAL H H 64 8.930 8.930 8.169 0.760 19274 1591 1 4 . 1 1 65 65 GLN N N 65 128.370 128.370 128.964 -0.594 19274 1592 1 4 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.206 0.224 19274 1593 1 4 . 1 1 65 65 GLN C C 65 177.110 177.110 176.502 0.608 19274 1594 1 4 . 1 1 65 65 GLN CA C 65 55.171 55.171 54.758 0.413 19274 1595 1 4 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.209 0.581 19274 1596 1 4 . 1 1 65 65 GLN H H 65 8.870 8.870 8.645 0.225 19274 1597 1 4 . 1 1 66 66 TYR N N 66 124.870 124.870 122.003 2.867 19274 1598 1 4 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.007 0.003 19274 1599 1 4 . 1 1 66 66 TYR C C 66 176.650 176.650 176.847 -0.197 19274 1600 1 4 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.241 0.040 19274 1601 1 4 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.038 0.472 19274 1602 1 4 . 1 1 66 66 TYR H H 66 7.490 7.490 7.984 -0.494 19274 1603 1 4 . 1 1 67 67 GLU N N 67 125.080 125.080 120.427 4.653 19274 1604 1 4 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.806 0.144 19274 1605 1 4 . 1 1 67 67 GLU C C 67 179.630 179.630 178.124 1.506 19274 1606 1 4 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.344 1.397 19274 1607 1 4 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.664 0.246 19274 1608 1 4 . 1 1 67 67 GLU H H 67 9.010 9.010 7.886 1.124 19274 1609 1 4 . 1 1 68 68 THR N N 68 114.620 114.620 113.338 1.282 19274 1610 1 4 . 1 1 68 68 THR HA H 68 4.000 4.000 4.153 -0.153 19274 1611 1 4 . 1 1 68 68 THR C C 68 176.510 176.510 176.639 -0.129 19274 1612 1 4 . 1 1 68 68 THR CA C 68 64.921 64.921 64.573 0.348 19274 1613 1 4 . 1 1 68 68 THR CB C 68 68.451 68.451 68.951 -0.500 19274 1614 1 4 . 1 1 68 68 THR H H 68 7.550 7.550 7.447 0.103 19274 1615 1 4 . 1 1 69 69 PHE N N 69 122.710 122.710 122.809 -0.099 19274 1616 1 4 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.243 -0.113 19274 1617 1 4 . 1 1 69 69 PHE C C 69 177.160 177.160 176.571 0.589 19274 1618 1 4 . 1 1 69 69 PHE CA C 69 61.791 61.791 61.502 0.289 19274 1619 1 4 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.997 1.073 19274 1620 1 4 . 1 1 69 69 PHE H H 69 7.740 7.740 8.067 -0.327 19274 1621 1 4 . 1 1 70 70 VAL N N 70 116.340 116.340 118.150 -1.810 19274 1622 1 4 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.553 0.137 19274 1623 1 4 . 1 1 70 70 VAL C C 70 178.010 178.010 178.233 -0.223 19274 1624 1 4 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.352 0.039 19274 1625 1 4 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.057 0.563 19274 1626 1 4 . 1 1 70 70 VAL H H 70 8.600 8.600 7.929 0.671 19274 1627 1 4 . 1 1 71 71 GLY N N 71 105.990 105.990 107.980 -1.990 19274 1628 1 4 . 1 1 71 71 GLY C C 71 174.980 174.980 176.090 -1.110 19274 1629 1 4 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.386 -0.636 19274 1630 1 4 . 1 1 71 71 GLY H H 71 7.690 7.690 7.797 -0.107 19274 1631 1 4 . 1 1 72 72 MET N N 72 117.740 117.740 120.492 -2.752 19274 1632 1 4 . 1 1 72 72 MET HA H 72 4.260 4.260 4.383 -0.123 19274 1633 1 4 . 1 1 72 72 MET C C 72 176.400 176.400 178.760 -2.360 19274 1634 1 4 . 1 1 72 72 MET CA C 72 56.611 56.611 55.985 0.626 19274 1635 1 4 . 1 1 72 72 MET CB C 72 33.000 33.000 31.503 1.497 19274 1636 1 4 . 1 1 72 72 MET H H 72 7.450 7.450 7.585 -0.135 19274 1637 1 4 . 1 1 73 73 LEU N N 73 118.370 118.370 121.687 -3.317 19274 1638 1 4 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.943 0.077 19274 1639 1 4 . 1 1 73 73 LEU C C 73 176.700 176.700 176.579 0.121 19274 1640 1 4 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.077 -1.556 19274 1641 1 4 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.838 1.262 19274 1642 1 4 . 1 1 73 73 LEU H H 73 7.380 7.380 7.921 -0.541 19274 1643 1 4 . 1 1 74 74 PHE N N 74 117.280 117.280 114.996 2.284 19274 1644 1 4 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.183 0.307 19274 1645 1 4 . 1 1 74 74 PHE C C 74 175.380 175.380 176.272 -0.892 19274 1646 1 4 . 1 1 74 74 PHE CA C 74 57.381 57.381 56.677 0.704 19274 1647 1 4 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.898 -0.488 19274 1648 1 4 . 1 1 74 74 PHE H H 74 7.830 7.830 7.599 0.231 19274 1649 1 4 . 1 1 75 75 LEU N N 75 120.310 120.310 121.315 -1.005 19274 1650 1 4 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.060 0.090 19274 1651 1 4 . 1 1 75 75 LEU C C 75 176.640 176.640 177.550 -0.910 19274 1652 1 4 . 1 1 75 75 LEU CA C 75 55.451 55.451 57.181 -1.730 19274 1653 1 4 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.738 0.052 19274 1654 1 4 . 1 1 75 75 LEU H H 75 7.270 7.270 7.065 0.205 19274 1655 1 4 . 1 1 76 76 TRP N N 76 119.350 119.350 116.734 2.616 19274 1656 1 4 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.911 -0.101 19274 1657 1 4 . 1 1 76 76 TRP C C 76 175.050 175.050 175.821 -0.771 19274 1658 1 4 . 1 1 76 76 TRP CA C 76 57.081 57.081 55.783 1.298 19274 1659 1 4 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.265 1.435 19274 1660 1 4 . 1 1 76 76 TRP H H 76 7.870 7.870 7.179 0.691 19274 1661 1 5 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.781 -0.711 19274 1662 1 5 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.368 1.392 19274 1663 1 5 . 1 1 4 4 MET N N 4 120.140 120.140 125.524 -5.384 19274 1664 1 5 . 1 1 4 4 MET HA H 4 4.390 4.390 4.536 -0.146 19274 1665 1 5 . 1 1 4 4 MET CA C 4 55.160 55.160 55.097 0.063 19274 1666 1 5 . 1 1 4 4 MET CB C 4 32.400 32.400 31.693 0.707 19274 1667 1 5 . 1 1 4 4 MET H H 4 8.380 8.380 8.945 -0.565 19274 1668 1 5 . 1 1 5 5 ASN N N 5 119.370 119.370 118.224 1.146 19274 1669 1 5 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.704 0.966 19274 1670 1 5 . 1 1 5 5 ASN CB C 5 38.690 38.690 40.934 -2.244 19274 1671 1 5 . 1 1 5 5 ASN H H 5 8.360 8.360 7.613 0.747 19274 1672 1 5 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.545 0.155 19274 1673 1 5 . 1 1 6 6 HIS C C 6 174.900 174.900 174.402 0.498 19274 1674 1 5 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.706 -0.606 19274 1675 1 5 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.644 0.276 19274 1676 1 5 . 1 1 7 7 ILE N N 7 121.430 121.430 127.262 -5.832 19274 1677 1 5 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.192 -0.112 19274 1678 1 5 . 1 1 7 7 ILE C C 7 175.940 175.940 175.173 0.767 19274 1679 1 5 . 1 1 7 7 ILE CA C 7 61.711 61.711 59.694 2.017 19274 1680 1 5 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.782 -0.222 19274 1681 1 5 . 1 1 7 7 ILE H H 7 8.090 8.090 7.962 0.128 19274 1682 1 5 . 1 1 8 8 ASN N N 8 121.280 121.280 126.641 -5.361 19274 1683 1 5 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.729 0.151 19274 1684 1 5 . 1 1 8 8 ASN C C 8 175.360 175.360 174.874 0.486 19274 1685 1 5 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.114 0.516 19274 1686 1 5 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.475 1.115 19274 1687 1 5 . 1 1 8 8 ASN H H 8 8.520 8.520 8.597 -0.077 19274 1688 1 5 . 1 1 9 9 THR N N 9 112.710 112.710 118.117 -5.407 19274 1689 1 5 . 1 1 9 9 THR HA H 9 4.370 4.370 4.273 0.097 19274 1690 1 5 . 1 1 9 9 THR C C 9 174.690 174.690 175.257 -0.567 19274 1691 1 5 . 1 1 9 9 THR CA C 9 62.100 62.100 62.810 -0.710 19274 1692 1 5 . 1 1 9 9 THR CB C 9 71.021 71.021 69.340 1.681 19274 1693 1 5 . 1 1 9 9 THR H H 9 8.020 8.020 7.760 0.260 19274 1694 1 5 . 1 1 10 10 LYS N N 10 122.130 122.130 128.398 -6.268 19274 1695 1 5 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.299 -0.039 19274 1696 1 5 . 1 1 10 10 LYS C C 10 177.710 177.710 178.061 -0.351 19274 1697 1 5 . 1 1 10 10 LYS CA C 10 60.200 60.200 59.287 0.913 19274 1698 1 5 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.292 0.778 19274 1699 1 5 . 1 1 10 10 LYS H H 10 8.390 8.390 8.719 -0.329 19274 1700 1 5 . 1 1 11 11 ALA N N 11 118.760 118.760 120.175 -1.415 19274 1701 1 5 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.960 0.080 19274 1702 1 5 . 1 1 11 11 ALA C C 11 180.540 180.540 179.578 0.962 19274 1703 1 5 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.994 -0.003 19274 1704 1 5 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.232 -0.182 19274 1705 1 5 . 1 1 11 11 ALA H H 11 8.120 8.120 8.348 -0.228 19274 1706 1 5 . 1 1 12 12 GLN N N 12 116.840 116.840 116.572 0.268 19274 1707 1 5 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.339 -0.299 19274 1708 1 5 . 1 1 12 12 GLN C C 12 178.940 178.940 178.666 0.274 19274 1709 1 5 . 1 1 12 12 GLN CA C 12 58.561 58.561 57.938 0.623 19274 1710 1 5 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.684 0.436 19274 1711 1 5 . 1 1 12 12 GLN H H 12 7.700 7.700 7.629 0.071 19274 1712 1 5 . 1 1 13 13 VAL N N 13 121.610 121.610 120.206 1.404 19274 1713 1 5 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.746 -0.286 19274 1714 1 5 . 1 1 13 13 VAL C C 13 176.920 176.920 177.747 -0.827 19274 1715 1 5 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.877 1.614 19274 1716 1 5 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.585 -0.275 19274 1717 1 5 . 1 1 13 13 VAL H H 13 7.990 7.990 7.342 0.648 19274 1718 1 5 . 1 1 14 14 ILE N N 14 118.850 118.850 119.846 -0.996 19274 1719 1 5 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.885 -0.085 19274 1720 1 5 . 1 1 14 14 ILE C C 14 178.130 178.130 177.896 0.234 19274 1721 1 5 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.354 0.056 19274 1722 1 5 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.790 -0.620 19274 1723 1 5 . 1 1 14 14 ILE H H 14 8.220 8.220 7.982 0.238 19274 1724 1 5 . 1 1 15 15 GLU N N 15 118.090 118.090 118.905 -0.815 19274 1725 1 5 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.024 -0.064 19274 1726 1 5 . 1 1 15 15 GLU C C 15 178.310 178.310 178.419 -0.109 19274 1727 1 5 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.077 0.263 19274 1728 1 5 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.281 -0.021 19274 1729 1 5 . 1 1 15 15 GLU H H 15 7.940 7.940 7.894 0.046 19274 1730 1 5 . 1 1 16 16 ALA N N 16 120.860 120.860 122.498 -1.638 19274 1731 1 5 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.156 -0.026 19274 1732 1 5 . 1 1 16 16 ALA C C 16 180.840 180.840 179.689 1.151 19274 1733 1 5 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.771 0.030 19274 1734 1 5 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.100 -0.310 19274 1735 1 5 . 1 1 16 16 ALA H H 16 7.560 7.560 7.330 0.230 19274 1736 1 5 . 1 1 17 17 PHE N N 17 116.830 116.830 116.488 0.342 19274 1737 1 5 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.226 0.164 19274 1738 1 5 . 1 1 17 17 PHE C C 17 177.550 177.550 177.612 -0.062 19274 1739 1 5 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.915 -1.984 19274 1740 1 5 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.179 -0.289 19274 1741 1 5 . 1 1 17 17 PHE H H 17 7.730 7.730 7.659 0.071 19274 1742 1 5 . 1 1 18 18 LYS N N 18 119.360 119.360 116.918 2.442 19274 1743 1 5 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.293 -0.323 19274 1744 1 5 . 1 1 18 18 LYS C C 18 178.860 178.860 177.156 1.704 19274 1745 1 5 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.137 1.494 19274 1746 1 5 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.404 0.056 19274 1747 1 5 . 1 1 18 18 LYS H H 18 8.290 8.290 7.589 0.701 19274 1748 1 5 . 1 1 19 19 VAL N N 19 116.479 116.479 118.347 -1.868 19274 1749 1 5 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.913 -0.263 19274 1750 1 5 . 1 1 19 19 VAL C C 19 177.020 177.020 176.603 0.417 19274 1751 1 5 . 1 1 19 19 VAL CA C 19 65.051 65.051 63.809 1.242 19274 1752 1 5 . 1 1 19 19 VAL CB C 19 31.990 31.990 32.228 -0.238 19274 1753 1 5 . 1 1 19 19 VAL H H 19 7.400 7.400 7.638 -0.238 19274 1754 1 5 . 1 1 20 20 PHE N N 20 118.120 118.120 119.700 -1.580 19274 1755 1 5 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.064 0.266 19274 1756 1 5 . 1 1 20 20 PHE C C 20 175.750 175.750 175.803 -0.053 19274 1757 1 5 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.657 -0.866 19274 1758 1 5 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.188 0.792 19274 1759 1 5 . 1 1 20 20 PHE H H 20 7.260 7.260 7.313 -0.053 19274 1760 1 5 . 1 1 21 21 ASP N N 21 120.640 120.640 120.137 0.503 19274 1761 1 5 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.380 0.750 19274 1762 1 5 . 1 1 21 21 ASP C C 21 176.520 176.520 176.254 0.266 19274 1763 1 5 . 1 1 21 21 ASP CA C 21 52.540 52.540 54.584 -2.045 19274 1764 1 5 . 1 1 21 21 ASP CB C 21 39.980 39.980 41.559 -1.579 19274 1765 1 5 . 1 1 21 21 ASP H H 21 7.910 7.910 8.027 -0.117 19274 1766 1 5 . 1 1 22 22 ARG N N 22 124.740 124.740 126.075 -1.335 19274 1767 1 5 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.193 -0.063 19274 1768 1 5 . 1 1 22 22 ARG C C 22 177.980 177.980 177.028 0.952 19274 1769 1 5 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.695 0.736 19274 1770 1 5 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.709 -0.319 19274 1771 1 5 . 1 1 22 22 ARG H H 22 8.120 8.120 8.366 -0.246 19274 1772 1 5 . 1 1 23 23 ASP N N 23 116.400 116.400 117.067 -0.667 19274 1773 1 5 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.593 0.157 19274 1774 1 5 . 1 1 23 23 ASP C C 23 176.750 176.750 176.779 -0.029 19274 1775 1 5 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.054 0.666 19274 1776 1 5 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.880 -0.660 19274 1777 1 5 . 1 1 23 23 ASP H H 23 8.670 8.670 8.056 0.614 19274 1778 1 5 . 1 1 24 24 GLY N N 24 110.310 110.310 109.734 0.576 19274 1779 1 5 . 1 1 24 24 GLY C C 24 175.410 175.410 174.874 0.536 19274 1780 1 5 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.005 2.059 19274 1781 1 5 . 1 1 24 24 GLY H H 24 8.000 8.000 7.933 0.067 19274 1782 1 5 . 1 1 25 25 ASN N N 25 118.870 118.870 119.489 -0.619 19274 1783 1 5 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.355 0.505 19274 1784 1 5 . 1 1 25 25 ASN C C 25 176.610 176.610 176.404 0.206 19274 1785 1 5 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.778 -1.628 19274 1786 1 5 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.917 0.513 19274 1787 1 5 . 1 1 25 25 ASN H H 25 9.250 9.250 8.871 0.379 19274 1788 1 5 . 1 1 26 26 GLY N N 26 110.130 110.130 106.077 4.053 19274 1789 1 5 . 1 1 26 26 GLY C C 26 173.300 173.300 172.482 0.818 19274 1790 1 5 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.220 0.370 19274 1791 1 5 . 1 1 26 26 GLY H H 26 10.110 10.110 8.238 1.872 19274 1792 1 5 . 1 1 27 27 TYR N N 27 118.030 118.030 115.880 2.150 19274 1793 1 5 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.852 0.798 19274 1794 1 5 . 1 1 27 27 TYR C C 27 176.130 176.130 173.170 2.960 19274 1795 1 5 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.254 1.037 19274 1796 1 5 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.803 0.687 19274 1797 1 5 . 1 1 27 27 TYR H H 27 8.010 8.010 7.001 1.009 19274 1798 1 5 . 1 1 28 28 VAL N N 28 111.260 111.260 114.580 -3.320 19274 1799 1 5 . 1 1 28 28 VAL HA H 28 5.140 5.140 5.068 0.072 19274 1800 1 5 . 1 1 28 28 VAL C C 28 175.330 175.330 175.605 -0.275 19274 1801 1 5 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.538 -0.446 19274 1802 1 5 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.371 0.969 19274 1803 1 5 . 1 1 28 28 VAL H H 28 8.810 8.810 8.783 0.027 19274 1804 1 5 . 1 1 29 29 THR N N 29 111.560 111.560 111.867 -0.307 19274 1805 1 5 . 1 1 29 29 THR HA H 29 4.680 4.680 5.105 -0.425 19274 1806 1 5 . 1 1 29 29 THR C C 29 176.260 176.260 176.159 0.101 19274 1807 1 5 . 1 1 29 29 THR CA C 29 60.761 60.761 60.900 -0.139 19274 1808 1 5 . 1 1 29 29 THR CB C 29 69.981 69.981 70.147 -0.166 19274 1809 1 5 . 1 1 29 29 THR H H 29 7.450 7.450 8.573 -1.123 19274 1810 1 5 . 1 1 30 30 VAL N N 30 119.990 119.990 122.647 -2.657 19274 1811 1 5 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.816 -0.256 19274 1812 1 5 . 1 1 30 30 VAL C C 30 177.080 177.080 176.538 0.542 19274 1813 1 5 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.777 1.164 19274 1814 1 5 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.789 -0.389 19274 1815 1 5 . 1 1 30 30 VAL H H 30 7.990 7.990 8.169 -0.179 19274 1816 1 5 . 1 1 31 31 ASP N N 31 117.730 117.730 120.371 -2.641 19274 1817 1 5 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.289 0.031 19274 1818 1 5 . 1 1 31 31 ASP C C 31 178.650 178.650 177.756 0.894 19274 1819 1 5 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.546 -0.135 19274 1820 1 5 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.749 -0.039 19274 1821 1 5 . 1 1 31 31 ASP H H 31 8.060 8.060 8.347 -0.287 19274 1822 1 5 . 1 1 32 32 TYR N N 32 121.060 121.060 119.937 1.123 19274 1823 1 5 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.016 0.184 19274 1824 1 5 . 1 1 32 32 TYR C C 32 177.040 177.040 177.122 -0.082 19274 1825 1 5 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.771 0.400 19274 1826 1 5 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.087 -0.247 19274 1827 1 5 . 1 1 32 32 TYR H H 32 7.760 7.760 7.373 0.387 19274 1828 1 5 . 1 1 33 33 LEU N N 33 120.480 120.480 119.805 0.675 19274 1829 1 5 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.043 -0.093 19274 1830 1 5 . 1 1 33 33 LEU C C 33 178.060 178.060 178.852 -0.792 19274 1831 1 5 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.387 0.393 19274 1832 1 5 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.085 0.055 19274 1833 1 5 . 1 1 33 33 LEU H H 33 8.170 8.170 7.644 0.526 19274 1834 1 5 . 1 1 34 34 ARG N N 34 115.900 115.900 118.188 -2.288 19274 1835 1 5 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.068 -0.378 19274 1836 1 5 . 1 1 34 34 ARG C C 34 178.210 178.210 178.601 -0.391 19274 1837 1 5 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.423 0.958 19274 1838 1 5 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.073 0.257 19274 1839 1 5 . 1 1 34 34 ARG H H 34 8.260 8.260 8.016 0.244 19274 1840 1 5 . 1 1 35 35 LYS N N 35 119.800 119.800 119.753 0.047 19274 1841 1 5 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.888 0.072 19274 1842 1 5 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.660 0.192 19274 1843 1 5 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.160 0.450 19274 1844 1 5 . 1 1 35 35 LYS H H 35 7.460 7.460 7.223 0.237 19274 1845 1 5 . 1 1 36 36 VAL N N 36 119.380 119.380 118.510 0.870 19274 1846 1 5 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.861 -0.361 19274 1847 1 5 . 1 1 36 36 VAL C C 36 178.790 178.790 177.933 0.857 19274 1848 1 5 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.421 1.770 19274 1849 1 5 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.820 0.000 19274 1850 1 5 . 1 1 36 36 VAL H H 36 8.020 8.020 7.217 0.803 19274 1851 1 5 . 1 1 37 37 LEU N N 37 116.970 116.970 119.168 -2.198 19274 1852 1 5 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.181 -0.121 19274 1853 1 5 . 1 1 37 37 LEU C C 37 179.560 179.560 178.591 0.969 19274 1854 1 5 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.653 1.338 19274 1855 1 5 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.074 -0.064 19274 1856 1 5 . 1 1 37 37 LEU H H 37 8.250 8.250 7.520 0.730 19274 1857 1 5 . 1 1 38 38 ASN N N 38 116.710 116.710 118.218 -1.508 19274 1858 1 5 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.547 0.033 19274 1859 1 5 . 1 1 38 38 ASN C C 38 177.520 177.520 176.813 0.707 19274 1860 1 5 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.822 0.128 19274 1861 1 5 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.837 0.253 19274 1862 1 5 . 1 1 38 38 ASN H H 38 8.120 8.120 7.942 0.178 19274 1863 1 5 . 1 1 39 39 GLU N N 39 118.700 118.700 117.993 0.707 19274 1864 1 5 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.344 -0.094 19274 1865 1 5 . 1 1 39 39 GLU C C 39 177.680 177.680 176.781 0.899 19274 1866 1 5 . 1 1 39 39 GLU CA C 39 57.801 57.801 57.218 0.583 19274 1867 1 5 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.893 -0.323 19274 1868 1 5 . 1 1 39 39 GLU H H 39 7.800 7.800 7.627 0.173 19274 1869 1 5 . 1 1 40 40 LEU N N 40 118.760 118.760 119.780 -1.020 19274 1870 1 5 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.526 -0.156 19274 1871 1 5 . 1 1 40 40 LEU C C 40 177.940 177.940 176.798 1.142 19274 1872 1 5 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.544 1.207 19274 1873 1 5 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.161 0.969 19274 1874 1 5 . 1 1 40 40 LEU H H 40 7.710 7.710 7.215 0.495 19274 1875 1 5 . 1 1 41 41 GLY N N 41 106.700 106.700 108.335 -1.635 19274 1876 1 5 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.814 1.286 19274 1877 1 5 . 1 1 41 41 GLY H H 41 7.780 7.780 7.409 0.371 19274 1878 1 5 . 1 1 42 42 ASP N N 42 120.920 120.920 123.242 -2.322 19274 1879 1 5 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.508 0.052 19274 1880 1 5 . 1 1 42 42 ASP C C 42 176.280 176.280 177.126 -0.846 19274 1881 1 5 . 1 1 42 42 ASP CA C 42 54.891 54.891 55.778 -0.887 19274 1882 1 5 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.875 -0.465 19274 1883 1 5 . 1 1 42 42 ASP H H 42 8.440 8.440 8.549 -0.109 19274 1884 1 5 . 1 1 43 43 MET N N 43 118.550 118.550 116.507 2.043 19274 1885 1 5 . 1 1 43 43 MET HA H 43 4.380 4.380 4.392 -0.012 19274 1886 1 5 . 1 1 43 43 MET C C 43 175.810 175.810 175.986 -0.176 19274 1887 1 5 . 1 1 43 43 MET CA C 43 56.801 56.801 56.336 0.465 19274 1888 1 5 . 1 1 43 43 MET CB C 43 33.140 33.140 32.260 0.880 19274 1889 1 5 . 1 1 43 43 MET H H 43 8.180 8.180 7.899 0.281 19274 1890 1 5 . 1 1 44 44 MET N N 44 119.050 119.050 120.993 -1.943 19274 1891 1 5 . 1 1 44 44 MET HA H 44 4.870 4.870 4.734 0.136 19274 1892 1 5 . 1 1 44 44 MET CA C 44 53.170 53.170 52.823 0.347 19274 1893 1 5 . 1 1 44 44 MET CB C 44 33.870 33.870 32.596 1.274 19274 1894 1 5 . 1 1 44 44 MET H H 44 7.920 7.920 7.489 0.431 19274 1895 1 5 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.443 0.087 19274 1896 1 5 . 1 1 45 45 PRO C C 45 177.450 177.450 176.676 0.774 19274 1897 1 5 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.884 -0.133 19274 1898 1 5 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.451 0.889 19274 1899 1 5 . 1 1 46 46 ALA N N 46 126.480 126.480 129.752 -3.272 19274 1900 1 5 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.002 0.088 19274 1901 1 5 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.372 1.159 19274 1902 1 5 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.487 0.383 19274 1903 1 5 . 1 1 46 46 ALA H H 46 8.660 8.660 8.584 0.076 19274 1904 1 5 . 1 1 47 47 ASP N N 47 115.320 115.320 118.757 -3.437 19274 1905 1 5 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.327 0.073 19274 1906 1 5 . 1 1 47 47 ASP C C 47 179.710 179.710 178.414 1.296 19274 1907 1 5 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.232 -1.531 19274 1908 1 5 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.371 -0.681 19274 1909 1 5 . 1 1 47 47 ASP H H 47 8.840 8.840 8.817 0.023 19274 1910 1 5 . 1 1 48 48 GLU N N 48 120.590 120.590 120.018 0.572 19274 1911 1 5 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.162 0.108 19274 1912 1 5 . 1 1 48 48 GLU C C 48 178.700 178.700 178.585 0.115 19274 1913 1 5 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.925 -0.404 19274 1914 1 5 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.627 0.274 19274 1915 1 5 . 1 1 48 48 GLU H H 48 7.580 7.580 7.448 0.132 19274 1916 1 5 . 1 1 49 49 ILE N N 49 119.990 119.990 119.872 0.118 19274 1917 1 5 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.878 -0.098 19274 1918 1 5 . 1 1 49 49 ILE C C 49 177.640 177.640 178.496 -0.856 19274 1919 1 5 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.086 0.045 19274 1920 1 5 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.920 -0.221 19274 1921 1 5 . 1 1 49 49 ILE H H 49 7.690 7.690 7.788 -0.098 19274 1922 1 5 . 1 1 50 50 GLU N N 50 117.290 117.290 119.884 -2.594 19274 1923 1 5 . 1 1 50 50 GLU HA H 50 3.970 3.970 3.997 -0.027 19274 1924 1 5 . 1 1 50 50 GLU C C 50 179.400 179.400 179.096 0.304 19274 1925 1 5 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.940 -0.759 19274 1926 1 5 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.189 -0.539 19274 1927 1 5 . 1 1 50 50 GLU H H 50 8.040 8.040 8.506 -0.466 19274 1928 1 5 . 1 1 51 51 GLU N N 51 119.160 119.160 118.729 0.431 19274 1929 1 5 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.795 0.425 19274 1930 1 5 . 1 1 51 51 GLU C C 51 179.810 179.810 179.170 0.640 19274 1931 1 5 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.083 0.368 19274 1932 1 5 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.488 -0.178 19274 1933 1 5 . 1 1 51 51 GLU H H 51 7.750 7.750 7.840 -0.090 19274 1934 1 5 . 1 1 52 52 MET N N 52 118.780 118.780 118.010 0.770 19274 1935 1 5 . 1 1 52 52 MET HA H 52 4.200 4.200 4.417 -0.217 19274 1936 1 5 . 1 1 52 52 MET CA C 52 59.191 59.191 57.487 1.704 19274 1937 1 5 . 1 1 52 52 MET CB C 52 33.580 33.580 32.138 1.442 19274 1938 1 5 . 1 1 52 52 MET H H 52 7.998 7.998 8.138 -0.140 19274 1939 1 5 . 1 1 53 53 ILE N N 53 120.910 120.910 120.479 0.431 19274 1940 1 5 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.474 0.056 19274 1941 1 5 . 1 1 53 53 ILE C C 53 177.086 177.086 178.192 -1.106 19274 1942 1 5 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.301 1.368 19274 1943 1 5 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.690 -0.010 19274 1944 1 5 . 1 1 53 53 ILE H H 53 8.420 8.420 8.144 0.276 19274 1945 1 5 . 1 1 54 54 TYR N N 54 119.030 119.030 118.372 0.658 19274 1946 1 5 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.505 -0.205 19274 1947 1 5 . 1 1 54 54 TYR C C 54 177.910 177.910 178.396 -0.486 19274 1948 1 5 . 1 1 54 54 TYR CA C 54 60.771 60.771 58.051 2.720 19274 1949 1 5 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.173 0.377 19274 1950 1 5 . 1 1 54 54 TYR H H 54 7.850 7.850 8.156 -0.306 19274 1951 1 5 . 1 1 55 55 GLU N N 55 115.700 115.700 118.847 -3.147 19274 1952 1 5 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.202 -0.302 19274 1953 1 5 . 1 1 55 55 GLU C C 55 178.280 178.280 177.989 0.291 19274 1954 1 5 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.325 0.065 19274 1955 1 5 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.151 0.359 19274 1956 1 5 . 1 1 55 55 GLU H H 55 7.850 7.850 7.811 0.039 19274 1957 1 5 . 1 1 56 56 ALA N N 56 119.710 119.710 120.542 -0.832 19274 1958 1 5 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.170 0.220 19274 1959 1 5 . 1 1 56 56 ALA C C 56 177.670 177.670 176.661 1.009 19274 1960 1 5 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.669 -0.499 19274 1961 1 5 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.560 0.430 19274 1962 1 5 . 1 1 56 56 ALA H H 56 8.009 8.009 7.723 0.286 19274 1963 1 5 . 1 1 57 57 ASP N N 57 117.020 117.020 116.522 0.498 19274 1964 1 5 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.982 0.358 19274 1965 1 5 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.443 0.867 19274 1966 1 5 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.855 -0.985 19274 1967 1 5 . 1 1 57 57 ASP H H 57 8.020 8.020 7.972 0.048 19274 1968 1 5 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.563 -0.253 19274 1969 1 5 . 1 1 58 58 PRO C C 58 178.470 178.470 177.541 0.929 19274 1970 1 5 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.050 1.281 19274 1971 1 5 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.526 -0.896 19274 1972 1 5 . 1 1 59 59 GLN N N 59 115.810 115.810 116.055 -0.245 19274 1973 1 5 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.285 0.225 19274 1974 1 5 . 1 1 59 59 GLN C C 59 176.290 176.290 175.317 0.973 19274 1975 1 5 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.092 -0.211 19274 1976 1 5 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.374 -0.794 19274 1977 1 5 . 1 1 59 59 GLN H H 59 8.750 8.750 7.992 0.758 19274 1978 1 5 . 1 1 60 60 ASN N N 60 118.250 118.250 116.671 1.579 19274 1979 1 5 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.346 0.054 19274 1980 1 5 . 1 1 60 60 ASN C C 60 175.330 175.330 175.127 0.203 19274 1981 1 5 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.435 0.976 19274 1982 1 5 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.502 -0.732 19274 1983 1 5 . 1 1 60 60 ASN H H 60 8.350 8.350 7.782 0.568 19274 1984 1 5 . 1 1 61 61 SER N N 61 118.650 118.650 113.984 4.666 19274 1985 1 5 . 1 1 61 61 SER HA H 61 4.300 4.300 4.232 0.068 19274 1986 1 5 . 1 1 61 61 SER C C 61 176.810 176.810 174.371 2.439 19274 1987 1 5 . 1 1 61 61 SER CA C 61 60.881 60.881 59.771 1.110 19274 1988 1 5 . 1 1 61 61 SER CB C 61 65.031 65.031 63.811 1.220 19274 1989 1 5 . 1 1 61 61 SER H H 61 9.990 9.990 8.304 1.686 19274 1990 1 5 . 1 1 62 62 GLY N N 62 112.630 112.630 106.586 6.044 19274 1991 1 5 . 1 1 62 62 GLY C C 62 173.960 173.960 173.197 0.763 19274 1992 1 5 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.058 0.272 19274 1993 1 5 . 1 1 62 62 GLY H H 62 10.440 10.440 7.937 2.503 19274 1994 1 5 . 1 1 63 63 TYR N N 63 121.250 121.250 118.946 2.304 19274 1995 1 5 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.235 0.015 19274 1996 1 5 . 1 1 63 63 TYR C C 63 173.900 173.900 174.957 -1.057 19274 1997 1 5 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.270 1.001 19274 1998 1 5 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.670 3.090 19274 1999 1 5 . 1 1 63 63 TYR H H 63 8.180 8.180 7.636 0.544 19274 2000 1 5 . 1 1 64 64 VAL N N 64 115.490 115.490 123.407 -7.917 19274 2001 1 5 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.457 0.023 19274 2002 1 5 . 1 1 64 64 VAL C C 64 174.240 174.240 174.524 -0.284 19274 2003 1 5 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.798 0.383 19274 2004 1 5 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.100 1.490 19274 2005 1 5 . 1 1 64 64 VAL H H 64 8.930 8.930 8.102 0.828 19274 2006 1 5 . 1 1 65 65 GLN N N 65 128.370 128.370 129.994 -1.624 19274 2007 1 5 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.340 0.090 19274 2008 1 5 . 1 1 65 65 GLN C C 65 177.110 177.110 176.571 0.539 19274 2009 1 5 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.588 -0.417 19274 2010 1 5 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.311 0.479 19274 2011 1 5 . 1 1 65 65 GLN H H 65 8.870 8.870 8.675 0.195 19274 2012 1 5 . 1 1 66 66 TYR N N 66 124.870 124.870 123.126 1.744 19274 2013 1 5 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.057 -0.047 19274 2014 1 5 . 1 1 66 66 TYR C C 66 176.650 176.650 176.977 -0.327 19274 2015 1 5 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.593 -0.312 19274 2016 1 5 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.323 0.187 19274 2017 1 5 . 1 1 66 66 TYR H H 66 7.490 7.490 8.255 -0.765 19274 2018 1 5 . 1 1 67 67 GLU N N 67 125.080 125.080 119.373 5.707 19274 2019 1 5 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.900 0.050 19274 2020 1 5 . 1 1 67 67 GLU C C 67 179.630 179.630 178.667 0.963 19274 2021 1 5 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.249 1.492 19274 2022 1 5 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.736 0.174 19274 2023 1 5 . 1 1 67 67 GLU H H 67 9.010 9.010 8.148 0.862 19274 2024 1 5 . 1 1 68 68 THR N N 68 114.620 114.620 112.182 2.438 19274 2025 1 5 . 1 1 68 68 THR HA H 68 4.000 4.000 4.102 -0.102 19274 2026 1 5 . 1 1 68 68 THR C C 68 176.510 176.510 176.562 -0.052 19274 2027 1 5 . 1 1 68 68 THR CA C 68 64.921 64.921 64.684 0.237 19274 2028 1 5 . 1 1 68 68 THR CB C 68 68.451 68.451 68.837 -0.386 19274 2029 1 5 . 1 1 68 68 THR H H 68 7.550 7.550 7.361 0.189 19274 2030 1 5 . 1 1 69 69 PHE N N 69 122.710 122.710 123.500 -0.790 19274 2031 1 5 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.140 -0.010 19274 2032 1 5 . 1 1 69 69 PHE C C 69 177.160 177.160 176.910 0.250 19274 2033 1 5 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.876 0.915 19274 2034 1 5 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.146 0.924 19274 2035 1 5 . 1 1 69 69 PHE H H 69 7.740 7.740 8.020 -0.280 19274 2036 1 5 . 1 1 70 70 VAL N N 70 116.340 116.340 117.379 -1.039 19274 2037 1 5 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.362 0.328 19274 2038 1 5 . 1 1 70 70 VAL C C 70 178.010 178.010 178.178 -0.168 19274 2039 1 5 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.921 0.470 19274 2040 1 5 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.999 0.621 19274 2041 1 5 . 1 1 70 70 VAL H H 70 8.600 8.600 8.120 0.480 19274 2042 1 5 . 1 1 71 71 GLY N N 71 105.990 105.990 108.082 -2.092 19274 2043 1 5 . 1 1 71 71 GLY C C 71 174.980 174.980 175.416 -0.436 19274 2044 1 5 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.145 -0.395 19274 2045 1 5 . 1 1 71 71 GLY H H 71 7.690 7.690 7.703 -0.013 19274 2046 1 5 . 1 1 72 72 MET N N 72 117.740 117.740 118.070 -0.330 19274 2047 1 5 . 1 1 72 72 MET HA H 72 4.260 4.260 4.463 -0.203 19274 2048 1 5 . 1 1 72 72 MET C C 72 176.400 176.400 176.719 -0.319 19274 2049 1 5 . 1 1 72 72 MET CA C 72 56.611 56.611 54.735 1.876 19274 2050 1 5 . 1 1 72 72 MET CB C 72 33.000 33.000 32.592 0.409 19274 2051 1 5 . 1 1 72 72 MET H H 72 7.450 7.450 7.594 -0.144 19274 2052 1 5 . 1 1 73 73 LEU N N 73 118.370 118.370 119.347 -0.977 19274 2053 1 5 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.710 0.310 19274 2054 1 5 . 1 1 73 73 LEU C C 73 176.700 176.700 177.583 -0.883 19274 2055 1 5 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.760 -1.239 19274 2056 1 5 . 1 1 73 73 LEU CB C 73 43.100 43.100 42.157 0.943 19274 2057 1 5 . 1 1 73 73 LEU H H 73 7.380 7.380 7.359 0.021 19274 2058 1 5 . 1 1 74 74 PHE N N 74 117.280 117.280 117.213 0.067 19274 2059 1 5 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.106 0.384 19274 2060 1 5 . 1 1 74 74 PHE C C 74 175.380 175.380 175.897 -0.517 19274 2061 1 5 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.442 -1.061 19274 2062 1 5 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.644 -0.234 19274 2063 1 5 . 1 1 74 74 PHE H H 74 7.830 7.830 7.663 0.167 19274 2064 1 5 . 1 1 75 75 LEU N N 75 120.310 120.310 114.196 6.114 19274 2065 1 5 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.244 -0.094 19274 2066 1 5 . 1 1 75 75 LEU C C 75 176.640 176.640 177.360 -0.720 19274 2067 1 5 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.405 1.046 19274 2068 1 5 . 1 1 75 75 LEU CB C 75 41.790 41.790 40.898 0.893 19274 2069 1 5 . 1 1 75 75 LEU H H 75 7.270 7.270 7.311 -0.041 19274 2070 1 5 . 1 1 76 76 TRP N N 76 119.350 119.350 122.576 -3.226 19274 2071 1 5 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.478 0.332 19274 2072 1 5 . 1 1 76 76 TRP C C 76 175.050 175.050 177.229 -2.179 19274 2073 1 5 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.380 0.701 19274 2074 1 5 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.600 1.100 19274 2075 1 5 . 1 1 76 76 TRP H H 76 7.870 7.870 7.346 0.524 19274 2076 1 6 . 1 1 3 3 HIS CA C 3 55.070 55.070 58.453 -3.383 19274 2077 1 6 . 1 1 3 3 HIS CB C 3 31.760 31.760 28.597 3.163 19274 2078 1 6 . 1 1 4 4 MET N N 4 120.140 120.140 121.686 -1.546 19274 2079 1 6 . 1 1 4 4 MET HA H 4 4.390 4.390 4.386 0.004 19274 2080 1 6 . 1 1 4 4 MET CA C 4 55.160 55.160 56.651 -1.491 19274 2081 1 6 . 1 1 4 4 MET CB C 4 32.400 32.400 32.899 -0.499 19274 2082 1 6 . 1 1 4 4 MET H H 4 8.380 8.380 8.008 0.372 19274 2083 1 6 . 1 1 5 5 ASN N N 5 119.370 119.370 120.953 -1.583 19274 2084 1 6 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.445 1.225 19274 2085 1 6 . 1 1 5 5 ASN CB C 5 38.690 38.690 40.045 -1.355 19274 2086 1 6 . 1 1 5 5 ASN H H 5 8.360 8.360 8.516 -0.156 19274 2087 1 6 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.617 0.083 19274 2088 1 6 . 1 1 6 6 HIS C C 6 174.900 174.900 174.685 0.215 19274 2089 1 6 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.552 -0.452 19274 2090 1 6 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.036 0.884 19274 2091 1 6 . 1 1 7 7 ILE N N 7 121.430 121.430 126.403 -4.973 19274 2092 1 6 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.331 -0.251 19274 2093 1 6 . 1 1 7 7 ILE C C 7 175.940 175.940 174.232 1.708 19274 2094 1 6 . 1 1 7 7 ILE CA C 7 61.711 61.711 61.177 0.534 19274 2095 1 6 . 1 1 7 7 ILE CB C 7 38.560 38.560 40.082 -1.522 19274 2096 1 6 . 1 1 7 7 ILE H H 7 8.090 8.090 7.976 0.114 19274 2097 1 6 . 1 1 8 8 ASN N N 8 121.280 121.280 127.380 -6.100 19274 2098 1 6 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.975 -0.095 19274 2099 1 6 . 1 1 8 8 ASN C C 8 175.360 175.360 174.178 1.182 19274 2100 1 6 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.910 0.720 19274 2101 1 6 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.762 0.828 19274 2102 1 6 . 1 1 8 8 ASN H H 8 8.520 8.520 8.656 -0.136 19274 2103 1 6 . 1 1 9 9 THR N N 9 112.710 112.710 119.499 -6.789 19274 2104 1 6 . 1 1 9 9 THR HA H 9 4.370 4.370 4.767 -0.397 19274 2105 1 6 . 1 1 9 9 THR C C 9 174.690 174.690 174.339 0.351 19274 2106 1 6 . 1 1 9 9 THR CA C 9 62.100 62.100 60.870 1.230 19274 2107 1 6 . 1 1 9 9 THR CB C 9 71.021 71.021 72.405 -1.384 19274 2108 1 6 . 1 1 9 9 THR H H 9 8.020 8.020 8.149 -0.129 19274 2109 1 6 . 1 1 10 10 LYS N N 10 122.130 122.130 124.595 -2.465 19274 2110 1 6 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.104 0.156 19274 2111 1 6 . 1 1 10 10 LYS C C 10 177.710 177.710 177.827 -0.117 19274 2112 1 6 . 1 1 10 10 LYS CA C 10 60.200 60.200 59.371 0.829 19274 2113 1 6 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.486 0.584 19274 2114 1 6 . 1 1 10 10 LYS H H 10 8.390 8.390 8.772 -0.382 19274 2115 1 6 . 1 1 11 11 ALA N N 11 118.760 118.760 122.763 -4.003 19274 2116 1 6 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.110 -0.070 19274 2117 1 6 . 1 1 11 11 ALA C C 11 180.540 180.540 179.727 0.813 19274 2118 1 6 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.018 -0.027 19274 2119 1 6 . 1 1 11 11 ALA CB C 11 18.050 18.050 17.582 0.468 19274 2120 1 6 . 1 1 11 11 ALA H H 11 8.120 8.120 8.267 -0.147 19274 2121 1 6 . 1 1 12 12 GLN N N 12 116.840 116.840 117.706 -0.866 19274 2122 1 6 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.240 -0.200 19274 2123 1 6 . 1 1 12 12 GLN C C 12 178.940 178.940 178.874 0.066 19274 2124 1 6 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.745 -0.184 19274 2125 1 6 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.125 0.995 19274 2126 1 6 . 1 1 12 12 GLN H H 12 7.700 7.700 8.458 -0.758 19274 2127 1 6 . 1 1 13 13 VAL N N 13 121.610 121.610 119.129 2.481 19274 2128 1 6 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.698 -0.238 19274 2129 1 6 . 1 1 13 13 VAL C C 13 176.920 176.920 177.464 -0.544 19274 2130 1 6 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.616 1.875 19274 2131 1 6 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.890 -0.580 19274 2132 1 6 . 1 1 13 13 VAL H H 13 7.990 7.990 7.420 0.570 19274 2133 1 6 . 1 1 14 14 ILE N N 14 118.850 118.850 120.504 -1.654 19274 2134 1 6 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.888 -0.088 19274 2135 1 6 . 1 1 14 14 ILE C C 14 178.130 178.130 177.920 0.210 19274 2136 1 6 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.536 -0.126 19274 2137 1 6 . 1 1 14 14 ILE CB C 14 37.170 37.170 38.035 -0.865 19274 2138 1 6 . 1 1 14 14 ILE H H 14 8.220 8.220 7.813 0.407 19274 2139 1 6 . 1 1 15 15 GLU N N 15 118.090 118.090 118.625 -0.535 19274 2140 1 6 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.034 -0.074 19274 2141 1 6 . 1 1 15 15 GLU C C 15 178.310 178.310 178.442 -0.132 19274 2142 1 6 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.188 0.152 19274 2143 1 6 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.025 0.235 19274 2144 1 6 . 1 1 15 15 GLU H H 15 7.940 7.940 8.406 -0.466 19274 2145 1 6 . 1 1 16 16 ALA N N 16 120.860 120.860 122.070 -1.210 19274 2146 1 6 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.105 0.025 19274 2147 1 6 . 1 1 16 16 ALA C C 16 180.840 180.840 179.747 1.093 19274 2148 1 6 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.515 0.286 19274 2149 1 6 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.032 -0.242 19274 2150 1 6 . 1 1 16 16 ALA H H 16 7.560 7.560 7.463 0.097 19274 2151 1 6 . 1 1 17 17 PHE N N 17 116.830 116.830 117.215 -0.385 19274 2152 1 6 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.242 0.148 19274 2153 1 6 . 1 1 17 17 PHE C C 17 177.550 177.550 177.417 0.133 19274 2154 1 6 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.927 -1.996 19274 2155 1 6 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.101 -0.211 19274 2156 1 6 . 1 1 17 17 PHE H H 17 7.730 7.730 7.657 0.073 19274 2157 1 6 . 1 1 18 18 LYS N N 18 119.360 119.360 118.824 0.536 19274 2158 1 6 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.170 -0.200 19274 2159 1 6 . 1 1 18 18 LYS C C 18 178.860 178.860 178.163 0.697 19274 2160 1 6 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.783 0.848 19274 2161 1 6 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.232 0.228 19274 2162 1 6 . 1 1 18 18 LYS H H 18 8.290 8.290 7.428 0.862 19274 2163 1 6 . 1 1 19 19 VAL N N 19 116.479 116.479 117.989 -1.510 19274 2164 1 6 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.744 -0.094 19274 2165 1 6 . 1 1 19 19 VAL C C 19 177.020 177.020 176.894 0.126 19274 2166 1 6 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.941 0.110 19274 2167 1 6 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.837 0.153 19274 2168 1 6 . 1 1 19 19 VAL H H 19 7.400 7.400 7.311 0.089 19274 2169 1 6 . 1 1 20 20 PHE N N 20 118.120 118.120 119.274 -1.154 19274 2170 1 6 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.151 0.179 19274 2171 1 6 . 1 1 20 20 PHE C C 20 175.750 175.750 175.957 -0.207 19274 2172 1 6 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.455 -0.664 19274 2173 1 6 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.652 0.328 19274 2174 1 6 . 1 1 20 20 PHE H H 20 7.260 7.260 7.215 0.045 19274 2175 1 6 . 1 1 21 21 ASP N N 21 120.640 120.640 119.461 1.179 19274 2176 1 6 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.455 0.675 19274 2177 1 6 . 1 1 21 21 ASP C C 21 176.520 176.520 176.374 0.146 19274 2178 1 6 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.452 -0.912 19274 2179 1 6 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.218 -0.237 19274 2180 1 6 . 1 1 21 21 ASP H H 21 7.910 7.910 8.110 -0.200 19274 2181 1 6 . 1 1 22 22 ARG N N 22 124.740 124.740 125.077 -0.337 19274 2182 1 6 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.046 0.084 19274 2183 1 6 . 1 1 22 22 ARG C C 22 177.980 177.980 177.381 0.599 19274 2184 1 6 . 1 1 22 22 ARG CA C 22 58.431 58.431 58.285 0.146 19274 2185 1 6 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.354 0.036 19274 2186 1 6 . 1 1 22 22 ARG H H 22 8.120 8.120 7.671 0.449 19274 2187 1 6 . 1 1 23 23 ASP N N 23 116.400 116.400 117.112 -0.712 19274 2188 1 6 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.459 0.291 19274 2189 1 6 . 1 1 23 23 ASP C C 23 176.750 176.750 176.555 0.195 19274 2190 1 6 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.349 0.372 19274 2191 1 6 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.373 -0.153 19274 2192 1 6 . 1 1 23 23 ASP H H 23 8.670 8.670 8.227 0.443 19274 2193 1 6 . 1 1 24 24 GLY N N 24 110.310 110.310 107.123 3.187 19274 2194 1 6 . 1 1 24 24 GLY C C 24 175.410 175.410 174.620 0.790 19274 2195 1 6 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.105 1.959 19274 2196 1 6 . 1 1 24 24 GLY H H 24 8.000 8.000 7.986 0.014 19274 2197 1 6 . 1 1 25 25 ASN N N 25 118.870 118.870 119.020 -0.150 19274 2198 1 6 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.578 0.282 19274 2199 1 6 . 1 1 25 25 ASN C C 25 176.610 176.610 175.690 0.920 19274 2200 1 6 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.743 -0.593 19274 2201 1 6 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.005 0.425 19274 2202 1 6 . 1 1 25 25 ASN H H 25 9.250 9.250 8.671 0.579 19274 2203 1 6 . 1 1 26 26 GLY N N 26 110.130 110.130 106.428 3.702 19274 2204 1 6 . 1 1 26 26 GLY C C 26 173.300 173.300 172.280 1.020 19274 2205 1 6 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.391 0.199 19274 2206 1 6 . 1 1 26 26 GLY H H 26 10.110 10.110 8.362 1.748 19274 2207 1 6 . 1 1 27 27 TYR N N 27 118.030 118.030 115.869 2.161 19274 2208 1 6 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.639 1.011 19274 2209 1 6 . 1 1 27 27 TYR C C 27 176.130 176.130 173.081 3.049 19274 2210 1 6 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.867 1.424 19274 2211 1 6 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.819 0.671 19274 2212 1 6 . 1 1 27 27 TYR H H 27 8.010 8.010 6.921 1.089 19274 2213 1 6 . 1 1 28 28 VAL N N 28 111.260 111.260 114.365 -3.105 19274 2214 1 6 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.935 0.205 19274 2215 1 6 . 1 1 28 28 VAL C C 28 175.330 175.330 175.150 0.180 19274 2216 1 6 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.248 -0.157 19274 2217 1 6 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.306 1.034 19274 2218 1 6 . 1 1 28 28 VAL H H 28 8.810 8.810 8.739 0.071 19274 2219 1 6 . 1 1 29 29 THR N N 29 111.560 111.560 111.449 0.111 19274 2220 1 6 . 1 1 29 29 THR HA H 29 4.680 4.680 4.987 -0.307 19274 2221 1 6 . 1 1 29 29 THR C C 29 176.260 176.260 176.095 0.165 19274 2222 1 6 . 1 1 29 29 THR CA C 29 60.761 60.761 61.277 -0.516 19274 2223 1 6 . 1 1 29 29 THR CB C 29 69.981 69.981 69.761 0.220 19274 2224 1 6 . 1 1 29 29 THR H H 29 7.450 7.450 8.391 -0.941 19274 2225 1 6 . 1 1 30 30 VAL N N 30 119.990 119.990 121.998 -2.008 19274 2226 1 6 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.785 -0.225 19274 2227 1 6 . 1 1 30 30 VAL C C 30 177.080 177.080 176.462 0.618 19274 2228 1 6 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.959 0.982 19274 2229 1 6 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.050 -0.650 19274 2230 1 6 . 1 1 30 30 VAL H H 30 7.990 7.990 8.122 -0.132 19274 2231 1 6 . 1 1 31 31 ASP N N 31 117.730 117.730 120.755 -3.025 19274 2232 1 6 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.249 0.071 19274 2233 1 6 . 1 1 31 31 ASP C C 31 178.650 178.650 177.648 1.002 19274 2234 1 6 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.758 -0.347 19274 2235 1 6 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.781 -0.071 19274 2236 1 6 . 1 1 31 31 ASP H H 31 8.060 8.060 8.422 -0.362 19274 2237 1 6 . 1 1 32 32 TYR N N 32 121.060 121.060 119.855 1.205 19274 2238 1 6 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.072 0.128 19274 2239 1 6 . 1 1 32 32 TYR C C 32 177.040 177.040 177.333 -0.293 19274 2240 1 6 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.757 0.415 19274 2241 1 6 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.285 -0.445 19274 2242 1 6 . 1 1 32 32 TYR H H 32 7.760 7.760 7.432 0.328 19274 2243 1 6 . 1 1 33 33 LEU N N 33 120.480 120.480 120.518 -0.038 19274 2244 1 6 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.286 -0.336 19274 2245 1 6 . 1 1 33 33 LEU C C 33 178.060 178.060 178.693 -0.633 19274 2246 1 6 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.709 0.071 19274 2247 1 6 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.122 0.018 19274 2248 1 6 . 1 1 33 33 LEU H H 33 8.170 8.170 7.782 0.388 19274 2249 1 6 . 1 1 34 34 ARG N N 34 115.900 115.900 117.424 -1.524 19274 2250 1 6 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.987 -0.297 19274 2251 1 6 . 1 1 34 34 ARG C C 34 178.210 178.210 178.755 -0.545 19274 2252 1 6 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.462 0.919 19274 2253 1 6 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.000 0.330 19274 2254 1 6 . 1 1 34 34 ARG H H 34 8.260 8.260 8.085 0.175 19274 2255 1 6 . 1 1 35 35 LYS N N 35 119.800 119.800 120.621 -0.821 19274 2256 1 6 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.980 -0.020 19274 2257 1 6 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.674 0.177 19274 2258 1 6 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.280 0.330 19274 2259 1 6 . 1 1 35 35 LYS H H 35 7.460 7.460 7.499 -0.039 19274 2260 1 6 . 1 1 36 36 VAL N N 36 119.380 119.380 120.072 -0.692 19274 2261 1 6 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.660 -0.160 19274 2262 1 6 . 1 1 36 36 VAL C C 36 178.790 178.790 177.824 0.966 19274 2263 1 6 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.057 1.134 19274 2264 1 6 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.151 0.669 19274 2265 1 6 . 1 1 36 36 VAL H H 36 8.020 8.020 7.203 0.817 19274 2266 1 6 . 1 1 37 37 LEU N N 37 116.970 116.970 118.203 -1.233 19274 2267 1 6 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.119 -0.059 19274 2268 1 6 . 1 1 37 37 LEU C C 37 179.560 179.560 178.943 0.617 19274 2269 1 6 . 1 1 37 37 LEU CA C 37 57.991 57.991 57.311 0.680 19274 2270 1 6 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.134 -0.124 19274 2271 1 6 . 1 1 37 37 LEU H H 37 8.250 8.250 7.703 0.547 19274 2272 1 6 . 1 1 38 38 ASN N N 38 116.710 116.710 118.118 -1.408 19274 2273 1 6 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.451 0.129 19274 2274 1 6 . 1 1 38 38 ASN C C 38 177.520 177.520 176.636 0.884 19274 2275 1 6 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.336 -0.386 19274 2276 1 6 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.878 0.212 19274 2277 1 6 . 1 1 38 38 ASN H H 38 8.120 8.120 7.884 0.236 19274 2278 1 6 . 1 1 39 39 GLU N N 39 118.700 118.700 118.247 0.453 19274 2279 1 6 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.139 0.111 19274 2280 1 6 . 1 1 39 39 GLU C C 39 177.680 177.680 178.214 -0.534 19274 2281 1 6 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.050 -0.249 19274 2282 1 6 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.884 -0.314 19274 2283 1 6 . 1 1 39 39 GLU H H 39 7.800 7.800 7.575 0.225 19274 2284 1 6 . 1 1 40 40 LEU N N 40 118.760 118.760 117.852 0.908 19274 2285 1 6 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.295 0.075 19274 2286 1 6 . 1 1 40 40 LEU C C 40 177.940 177.940 178.542 -0.602 19274 2287 1 6 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.060 -0.309 19274 2288 1 6 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.511 -0.381 19274 2289 1 6 . 1 1 40 40 LEU H H 40 7.710 7.710 7.820 -0.110 19274 2290 1 6 . 1 1 41 41 GLY N N 41 106.700 106.700 107.290 -0.590 19274 2291 1 6 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.653 1.447 19274 2292 1 6 . 1 1 41 41 GLY H H 41 7.780 7.780 7.632 0.148 19274 2293 1 6 . 1 1 42 42 ASP N N 42 120.920 120.920 121.475 -0.555 19274 2294 1 6 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.488 0.072 19274 2295 1 6 . 1 1 42 42 ASP C C 42 176.280 176.280 177.044 -0.764 19274 2296 1 6 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.028 -1.137 19274 2297 1 6 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.171 -0.761 19274 2298 1 6 . 1 1 42 42 ASP H H 42 8.440 8.440 7.995 0.445 19274 2299 1 6 . 1 1 43 43 MET N N 43 118.550 118.550 117.533 1.017 19274 2300 1 6 . 1 1 43 43 MET HA H 43 4.380 4.380 4.509 -0.129 19274 2301 1 6 . 1 1 43 43 MET C C 43 175.810 175.810 174.906 0.904 19274 2302 1 6 . 1 1 43 43 MET CA C 43 56.801 56.801 55.181 1.620 19274 2303 1 6 . 1 1 43 43 MET CB C 43 33.140 33.140 34.265 -1.125 19274 2304 1 6 . 1 1 43 43 MET H H 43 8.180 8.180 8.178 0.002 19274 2305 1 6 . 1 1 44 44 MET N N 44 119.050 119.050 119.999 -0.949 19274 2306 1 6 . 1 1 44 44 MET HA H 44 4.870 4.870 4.914 -0.044 19274 2307 1 6 . 1 1 44 44 MET CA C 44 53.170 53.170 50.854 2.316 19274 2308 1 6 . 1 1 44 44 MET CB C 44 33.870 33.870 33.537 0.333 19274 2309 1 6 . 1 1 44 44 MET H H 44 7.920 7.920 7.620 0.300 19274 2310 1 6 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.482 0.048 19274 2311 1 6 . 1 1 45 45 PRO C C 45 177.450 177.450 176.687 0.763 19274 2312 1 6 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.886 -0.136 19274 2313 1 6 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.695 -0.355 19274 2314 1 6 . 1 1 46 46 ALA N N 46 126.480 126.480 126.718 -0.238 19274 2315 1 6 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.096 -0.006 19274 2316 1 6 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.360 1.171 19274 2317 1 6 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.612 0.258 19274 2318 1 6 . 1 1 46 46 ALA H H 46 8.660 8.660 8.660 0.000 19274 2319 1 6 . 1 1 47 47 ASP N N 47 115.320 115.320 118.302 -2.982 19274 2320 1 6 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.467 -0.067 19274 2321 1 6 . 1 1 47 47 ASP C C 47 179.710 179.710 177.845 1.865 19274 2322 1 6 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.614 -0.913 19274 2323 1 6 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.810 -1.120 19274 2324 1 6 . 1 1 47 47 ASP H H 47 8.840 8.840 8.734 0.106 19274 2325 1 6 . 1 1 48 48 GLU N N 48 120.590 120.590 118.487 2.103 19274 2326 1 6 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.367 -0.097 19274 2327 1 6 . 1 1 48 48 GLU C C 48 178.700 178.700 178.892 -0.192 19274 2328 1 6 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.882 -0.361 19274 2329 1 6 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.299 0.601 19274 2330 1 6 . 1 1 48 48 GLU H H 48 7.580 7.580 7.927 -0.347 19274 2331 1 6 . 1 1 49 49 ILE N N 49 119.990 119.990 120.496 -0.506 19274 2332 1 6 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.043 -0.263 19274 2333 1 6 . 1 1 49 49 ILE C C 49 177.640 177.640 178.414 -0.774 19274 2334 1 6 . 1 1 49 49 ILE CA C 49 65.131 65.131 64.581 0.550 19274 2335 1 6 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.842 -0.142 19274 2336 1 6 . 1 1 49 49 ILE H H 49 7.690 7.690 7.319 0.371 19274 2337 1 6 . 1 1 50 50 GLU N N 50 117.290 117.290 120.047 -2.757 19274 2338 1 6 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.118 -0.148 19274 2339 1 6 . 1 1 50 50 GLU C C 50 179.400 179.400 179.308 0.092 19274 2340 1 6 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.842 -0.661 19274 2341 1 6 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.286 -0.636 19274 2342 1 6 . 1 1 50 50 GLU H H 50 8.040 8.040 8.349 -0.309 19274 2343 1 6 . 1 1 51 51 GLU N N 51 119.160 119.160 119.249 -0.089 19274 2344 1 6 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.036 0.184 19274 2345 1 6 . 1 1 51 51 GLU C C 51 179.810 179.810 179.008 0.802 19274 2346 1 6 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.331 0.120 19274 2347 1 6 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.613 -0.303 19274 2348 1 6 . 1 1 51 51 GLU H H 51 7.750 7.750 7.753 -0.003 19274 2349 1 6 . 1 1 52 52 MET N N 52 118.780 118.780 117.647 1.133 19274 2350 1 6 . 1 1 52 52 MET HA H 52 4.200 4.200 4.392 -0.192 19274 2351 1 6 . 1 1 52 52 MET CA C 52 59.191 59.191 57.660 1.531 19274 2352 1 6 . 1 1 52 52 MET CB C 52 33.580 33.580 32.462 1.118 19274 2353 1 6 . 1 1 52 52 MET H H 52 7.998 7.998 7.556 0.442 19274 2354 1 6 . 1 1 53 53 ILE N N 53 120.910 120.910 119.664 1.246 19274 2355 1 6 . 1 1 53 53 ILE HA H 53 3.530 3.530 2.956 0.574 19274 2356 1 6 . 1 1 53 53 ILE C C 53 177.086 177.086 177.856 -0.770 19274 2357 1 6 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.818 1.851 19274 2358 1 6 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.489 0.192 19274 2359 1 6 . 1 1 53 53 ILE H H 53 8.420 8.420 8.134 0.286 19274 2360 1 6 . 1 1 54 54 TYR N N 54 119.030 119.030 118.698 0.332 19274 2361 1 6 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.455 -0.155 19274 2362 1 6 . 1 1 54 54 TYR C C 54 177.910 177.910 177.579 0.331 19274 2363 1 6 . 1 1 54 54 TYR CA C 54 60.771 60.771 60.141 0.631 19274 2364 1 6 . 1 1 54 54 TYR CB C 54 37.550 37.550 38.041 -0.491 19274 2365 1 6 . 1 1 54 54 TYR H H 54 7.850 7.850 7.754 0.096 19274 2366 1 6 . 1 1 55 55 GLU N N 55 115.700 115.700 118.055 -2.355 19274 2367 1 6 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.165 -0.265 19274 2368 1 6 . 1 1 55 55 GLU C C 55 178.280 178.280 177.452 0.828 19274 2369 1 6 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.081 0.310 19274 2370 1 6 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.008 0.503 19274 2371 1 6 . 1 1 55 55 GLU H H 55 7.850 7.850 7.684 0.166 19274 2372 1 6 . 1 1 56 56 ALA N N 56 119.710 119.710 120.985 -1.275 19274 2373 1 6 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.143 0.247 19274 2374 1 6 . 1 1 56 56 ALA C C 56 177.670 177.670 176.560 1.110 19274 2375 1 6 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.127 0.043 19274 2376 1 6 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.395 0.595 19274 2377 1 6 . 1 1 56 56 ALA H H 56 8.009 8.009 7.327 0.682 19274 2378 1 6 . 1 1 57 57 ASP N N 57 117.020 117.020 116.700 0.320 19274 2379 1 6 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.998 0.342 19274 2380 1 6 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.051 1.259 19274 2381 1 6 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.794 -0.924 19274 2382 1 6 . 1 1 57 57 ASP H H 57 8.020 8.020 7.782 0.238 19274 2383 1 6 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.706 -0.396 19274 2384 1 6 . 1 1 58 58 PRO C C 58 178.470 178.470 177.085 1.385 19274 2385 1 6 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.224 1.107 19274 2386 1 6 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.414 -0.784 19274 2387 1 6 . 1 1 59 59 GLN N N 59 115.810 115.810 117.631 -1.821 19274 2388 1 6 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.228 0.282 19274 2389 1 6 . 1 1 59 59 GLN C C 59 176.290 176.290 175.868 0.422 19274 2390 1 6 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.815 -0.934 19274 2391 1 6 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.100 -0.520 19274 2392 1 6 . 1 1 59 59 GLN H H 59 8.750 8.750 8.467 0.283 19274 2393 1 6 . 1 1 60 60 ASN N N 60 118.250 118.250 113.603 4.647 19274 2394 1 6 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.420 -0.020 19274 2395 1 6 . 1 1 60 60 ASN C C 60 175.330 175.330 175.039 0.291 19274 2396 1 6 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.969 0.442 19274 2397 1 6 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.236 -0.466 19274 2398 1 6 . 1 1 60 60 ASN H H 60 8.350 8.350 8.160 0.190 19274 2399 1 6 . 1 1 61 61 SER N N 61 118.650 118.650 115.154 3.496 19274 2400 1 6 . 1 1 61 61 SER HA H 61 4.300 4.300 4.472 -0.172 19274 2401 1 6 . 1 1 61 61 SER C C 61 176.810 176.810 175.263 1.547 19274 2402 1 6 . 1 1 61 61 SER CA C 61 60.881 60.881 59.030 1.851 19274 2403 1 6 . 1 1 61 61 SER CB C 61 65.031 65.031 63.830 1.201 19274 2404 1 6 . 1 1 61 61 SER H H 61 9.990 9.990 7.949 2.041 19274 2405 1 6 . 1 1 62 62 GLY N N 62 112.630 112.630 108.890 3.740 19274 2406 1 6 . 1 1 62 62 GLY C C 62 173.960 173.960 173.090 0.870 19274 2407 1 6 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.263 0.067 19274 2408 1 6 . 1 1 62 62 GLY H H 62 10.440 10.440 7.996 2.444 19274 2409 1 6 . 1 1 63 63 TYR N N 63 121.250 121.250 119.124 2.126 19274 2410 1 6 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.145 0.105 19274 2411 1 6 . 1 1 63 63 TYR C C 63 173.900 173.900 175.146 -1.246 19274 2412 1 6 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.192 0.079 19274 2413 1 6 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.983 2.777 19274 2414 1 6 . 1 1 63 63 TYR H H 63 8.180 8.180 7.424 0.756 19274 2415 1 6 . 1 1 64 64 VAL N N 64 115.490 115.490 123.668 -8.178 19274 2416 1 6 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.516 -0.036 19274 2417 1 6 . 1 1 64 64 VAL C C 64 174.240 174.240 174.338 -0.098 19274 2418 1 6 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.620 0.561 19274 2419 1 6 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.545 1.044 19274 2420 1 6 . 1 1 64 64 VAL H H 64 8.930 8.930 8.580 0.350 19274 2421 1 6 . 1 1 65 65 GLN N N 65 128.370 128.370 129.831 -1.461 19274 2422 1 6 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.331 0.099 19274 2423 1 6 . 1 1 65 65 GLN C C 65 177.110 177.110 176.537 0.573 19274 2424 1 6 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.359 -0.188 19274 2425 1 6 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.149 0.641 19274 2426 1 6 . 1 1 65 65 GLN H H 65 8.870 8.870 8.799 0.071 19274 2427 1 6 . 1 1 66 66 TYR N N 66 124.870 124.870 122.387 2.483 19274 2428 1 6 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.748 0.262 19274 2429 1 6 . 1 1 66 66 TYR C C 66 176.650 176.650 176.474 0.176 19274 2430 1 6 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.894 -0.613 19274 2431 1 6 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.522 0.988 19274 2432 1 6 . 1 1 66 66 TYR H H 66 7.490 7.490 7.939 -0.449 19274 2433 1 6 . 1 1 67 67 GLU N N 67 125.080 125.080 116.758 8.322 19274 2434 1 6 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.009 -0.059 19274 2435 1 6 . 1 1 67 67 GLU C C 67 179.630 179.630 178.741 0.889 19274 2436 1 6 . 1 1 67 67 GLU CA C 67 60.741 60.741 58.697 2.044 19274 2437 1 6 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.463 0.447 19274 2438 1 6 . 1 1 67 67 GLU H H 67 9.010 9.010 8.329 0.681 19274 2439 1 6 . 1 1 68 68 THR N N 68 114.620 114.620 117.187 -2.567 19274 2440 1 6 . 1 1 68 68 THR HA H 68 4.000 4.000 4.024 -0.024 19274 2441 1 6 . 1 1 68 68 THR C C 68 176.510 176.510 176.387 0.123 19274 2442 1 6 . 1 1 68 68 THR CA C 68 64.921 64.921 65.744 -0.823 19274 2443 1 6 . 1 1 68 68 THR CB C 68 68.451 68.451 68.402 0.049 19274 2444 1 6 . 1 1 68 68 THR H H 68 7.550 7.550 7.364 0.186 19274 2445 1 6 . 1 1 69 69 PHE N N 69 122.710 122.710 123.428 -0.718 19274 2446 1 6 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.260 -0.130 19274 2447 1 6 . 1 1 69 69 PHE C C 69 177.160 177.160 176.505 0.655 19274 2448 1 6 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.482 1.309 19274 2449 1 6 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.656 1.414 19274 2450 1 6 . 1 1 69 69 PHE H H 69 7.740 7.740 8.024 -0.284 19274 2451 1 6 . 1 1 70 70 VAL N N 70 116.340 116.340 118.461 -2.121 19274 2452 1 6 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.159 0.531 19274 2453 1 6 . 1 1 70 70 VAL C C 70 178.010 178.010 178.297 -0.287 19274 2454 1 6 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.469 -0.078 19274 2455 1 6 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.814 0.806 19274 2456 1 6 . 1 1 70 70 VAL H H 70 8.600 8.600 8.176 0.424 19274 2457 1 6 . 1 1 71 71 GLY N N 71 105.990 105.990 107.943 -1.953 19274 2458 1 6 . 1 1 71 71 GLY C C 71 174.980 174.980 175.432 -0.452 19274 2459 1 6 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.081 -0.331 19274 2460 1 6 . 1 1 71 71 GLY H H 71 7.690 7.690 7.728 -0.038 19274 2461 1 6 . 1 1 72 72 MET N N 72 117.740 117.740 120.241 -2.501 19274 2462 1 6 . 1 1 72 72 MET HA H 72 4.260 4.260 4.293 -0.033 19274 2463 1 6 . 1 1 72 72 MET C C 72 176.400 176.400 178.497 -2.097 19274 2464 1 6 . 1 1 72 72 MET CA C 72 56.611 56.611 57.351 -0.740 19274 2465 1 6 . 1 1 72 72 MET CB C 72 33.000 33.000 32.916 0.084 19274 2466 1 6 . 1 1 72 72 MET H H 72 7.450 7.450 7.661 -0.211 19274 2467 1 6 . 1 1 73 73 LEU N N 73 118.370 118.370 122.359 -3.989 19274 2468 1 6 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.941 0.079 19274 2469 1 6 . 1 1 73 73 LEU C C 73 176.700 176.700 176.789 -0.089 19274 2470 1 6 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.424 -1.903 19274 2471 1 6 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.686 1.414 19274 2472 1 6 . 1 1 73 73 LEU H H 73 7.380 7.380 7.883 -0.503 19274 2473 1 6 . 1 1 74 74 PHE N N 74 117.280 117.280 114.663 2.617 19274 2474 1 6 . 1 1 74 74 PHE HA H 74 4.490 4.490 3.697 0.793 19274 2475 1 6 . 1 1 74 74 PHE C C 74 175.380 175.380 175.196 0.184 19274 2476 1 6 . 1 1 74 74 PHE CA C 74 57.381 57.381 57.587 -0.207 19274 2477 1 6 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.896 0.514 19274 2478 1 6 . 1 1 74 74 PHE H H 74 7.830 7.830 7.567 0.263 19274 2479 1 6 . 1 1 75 75 LEU N N 75 120.310 120.310 120.317 -0.007 19274 2480 1 6 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.285 -0.135 19274 2481 1 6 . 1 1 75 75 LEU C C 75 176.640 176.640 176.590 0.050 19274 2482 1 6 . 1 1 75 75 LEU CA C 75 55.451 55.451 53.816 1.635 19274 2483 1 6 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.114 0.676 19274 2484 1 6 . 1 1 75 75 LEU H H 75 7.270 7.270 6.867 0.403 19274 2485 1 6 . 1 1 76 76 TRP N N 76 119.350 119.350 121.245 -1.895 19274 2486 1 6 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.540 0.270 19274 2487 1 6 . 1 1 76 76 TRP C C 76 175.050 175.050 176.394 -1.344 19274 2488 1 6 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.402 0.679 19274 2489 1 6 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.491 2.209 19274 2490 1 6 . 1 1 76 76 TRP H H 76 7.870 7.870 7.589 0.281 19274 2491 1 7 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.248 -0.178 19274 2492 1 7 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.392 1.367 19274 2493 1 7 . 1 1 4 4 MET N N 4 120.140 120.140 120.402 -0.262 19274 2494 1 7 . 1 1 4 4 MET HA H 4 4.390 4.390 4.300 0.090 19274 2495 1 7 . 1 1 4 4 MET CA C 4 55.160 55.160 55.322 -0.161 19274 2496 1 7 . 1 1 4 4 MET CB C 4 32.400 32.400 31.383 1.017 19274 2497 1 7 . 1 1 4 4 MET H H 4 8.380 8.380 8.607 -0.227 19274 2498 1 7 . 1 1 5 5 ASN N N 5 119.370 119.370 120.312 -0.942 19274 2499 1 7 . 1 1 5 5 ASN CA C 5 53.670 53.670 54.326 -0.656 19274 2500 1 7 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.489 0.201 19274 2501 1 7 . 1 1 5 5 ASN H H 5 8.360 8.360 8.474 -0.114 19274 2502 1 7 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.557 0.143 19274 2503 1 7 . 1 1 6 6 HIS C C 6 174.900 174.900 174.474 0.426 19274 2504 1 7 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.819 0.281 19274 2505 1 7 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.203 0.717 19274 2506 1 7 . 1 1 7 7 ILE N N 7 121.430 121.430 129.306 -7.876 19274 2507 1 7 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.179 -0.099 19274 2508 1 7 . 1 1 7 7 ILE C C 7 175.940 175.940 176.151 -0.211 19274 2509 1 7 . 1 1 7 7 ILE CA C 7 61.711 61.711 59.757 1.954 19274 2510 1 7 . 1 1 7 7 ILE CB C 7 38.560 38.560 35.090 3.470 19274 2511 1 7 . 1 1 7 7 ILE H H 7 8.090 8.090 8.335 -0.245 19274 2512 1 7 . 1 1 8 8 ASN N N 8 121.280 121.280 126.402 -5.122 19274 2513 1 7 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.536 0.344 19274 2514 1 7 . 1 1 8 8 ASN C C 8 175.360 175.360 175.066 0.294 19274 2515 1 7 . 1 1 8 8 ASN CA C 8 53.630 53.630 55.119 -1.489 19274 2516 1 7 . 1 1 8 8 ASN CB C 8 39.590 39.590 39.402 0.188 19274 2517 1 7 . 1 1 8 8 ASN H H 8 8.520 8.520 8.565 -0.045 19274 2518 1 7 . 1 1 9 9 THR N N 9 112.710 112.710 111.784 0.926 19274 2519 1 7 . 1 1 9 9 THR HA H 9 4.370 4.370 4.569 -0.199 19274 2520 1 7 . 1 1 9 9 THR C C 9 174.690 174.690 174.390 0.300 19274 2521 1 7 . 1 1 9 9 THR CA C 9 62.100 62.100 60.313 1.787 19274 2522 1 7 . 1 1 9 9 THR CB C 9 71.021 71.021 70.756 0.265 19274 2523 1 7 . 1 1 9 9 THR H H 9 8.020 8.020 7.472 0.548 19274 2524 1 7 . 1 1 10 10 LYS N N 10 122.130 122.130 124.273 -2.143 19274 2525 1 7 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.309 -0.049 19274 2526 1 7 . 1 1 10 10 LYS C C 10 177.710 177.710 177.531 0.179 19274 2527 1 7 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.834 1.366 19274 2528 1 7 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.264 0.806 19274 2529 1 7 . 1 1 10 10 LYS H H 10 8.390 8.390 8.677 -0.287 19274 2530 1 7 . 1 1 11 11 ALA N N 11 118.760 118.760 121.798 -3.038 19274 2531 1 7 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.967 0.073 19274 2532 1 7 . 1 1 11 11 ALA C C 11 180.540 180.540 179.749 0.791 19274 2533 1 7 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.786 0.205 19274 2534 1 7 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.276 -0.226 19274 2535 1 7 . 1 1 11 11 ALA H H 11 8.120 8.120 7.494 0.626 19274 2536 1 7 . 1 1 12 12 GLN N N 12 116.840 116.840 117.695 -0.855 19274 2537 1 7 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.097 -0.057 19274 2538 1 7 . 1 1 12 12 GLN C C 12 178.940 178.940 178.240 0.700 19274 2539 1 7 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.238 0.323 19274 2540 1 7 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.648 0.473 19274 2541 1 7 . 1 1 12 12 GLN H H 12 7.700 7.700 7.630 0.070 19274 2542 1 7 . 1 1 13 13 VAL N N 13 121.610 121.610 119.684 1.926 19274 2543 1 7 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.727 -0.267 19274 2544 1 7 . 1 1 13 13 VAL C C 13 176.920 176.920 177.678 -0.758 19274 2545 1 7 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.854 1.637 19274 2546 1 7 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.811 -0.501 19274 2547 1 7 . 1 1 13 13 VAL H H 13 7.990 7.990 7.248 0.742 19274 2548 1 7 . 1 1 14 14 ILE N N 14 118.850 118.850 120.240 -1.390 19274 2549 1 7 . 1 1 14 14 ILE HA H 14 3.800 3.800 4.063 -0.263 19274 2550 1 7 . 1 1 14 14 ILE C C 14 178.130 178.130 178.047 0.083 19274 2551 1 7 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.522 0.888 19274 2552 1 7 . 1 1 14 14 ILE CB C 14 37.170 37.170 36.578 0.592 19274 2553 1 7 . 1 1 14 14 ILE H H 14 8.220 8.220 8.155 0.065 19274 2554 1 7 . 1 1 15 15 GLU N N 15 118.090 118.090 118.649 -0.559 19274 2555 1 7 . 1 1 15 15 GLU HA H 15 3.960 3.960 3.981 -0.021 19274 2556 1 7 . 1 1 15 15 GLU C C 15 178.310 178.310 178.497 -0.187 19274 2557 1 7 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.072 0.268 19274 2558 1 7 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.635 0.625 19274 2559 1 7 . 1 1 15 15 GLU H H 15 7.940 7.940 7.796 0.144 19274 2560 1 7 . 1 1 16 16 ALA N N 16 120.860 120.860 121.740 -0.880 19274 2561 1 7 . 1 1 16 16 ALA HA H 16 4.130 4.130 3.849 0.281 19274 2562 1 7 . 1 1 16 16 ALA C C 16 180.840 180.840 179.024 1.816 19274 2563 1 7 . 1 1 16 16 ALA CA C 16 54.801 54.801 55.112 -0.311 19274 2564 1 7 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.189 -0.399 19274 2565 1 7 . 1 1 16 16 ALA H H 16 7.560 7.560 7.270 0.290 19274 2566 1 7 . 1 1 17 17 PHE N N 17 116.830 116.830 117.226 -0.396 19274 2567 1 7 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.394 -0.004 19274 2568 1 7 . 1 1 17 17 PHE C C 17 177.550 177.550 177.403 0.147 19274 2569 1 7 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.447 -1.516 19274 2570 1 7 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.026 -0.136 19274 2571 1 7 . 1 1 17 17 PHE H H 17 7.730 7.730 7.235 0.495 19274 2572 1 7 . 1 1 18 18 LYS N N 18 119.360 119.360 118.146 1.214 19274 2573 1 7 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.303 -0.333 19274 2574 1 7 . 1 1 18 18 LYS C C 18 178.860 178.860 177.499 1.361 19274 2575 1 7 . 1 1 18 18 LYS CA C 18 59.631 59.631 57.007 2.624 19274 2576 1 7 . 1 1 18 18 LYS CB C 18 32.460 32.460 31.286 1.174 19274 2577 1 7 . 1 1 18 18 LYS H H 18 8.290 8.290 7.904 0.386 19274 2578 1 7 . 1 1 19 19 VAL N N 19 116.479 116.479 118.204 -1.725 19274 2579 1 7 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.763 -0.113 19274 2580 1 7 . 1 1 19 19 VAL C C 19 177.020 177.020 177.124 -0.104 19274 2581 1 7 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.576 -0.525 19274 2582 1 7 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.699 0.291 19274 2583 1 7 . 1 1 19 19 VAL H H 19 7.400 7.400 7.156 0.244 19274 2584 1 7 . 1 1 20 20 PHE N N 20 118.120 118.120 118.478 -0.358 19274 2585 1 7 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.074 0.256 19274 2586 1 7 . 1 1 20 20 PHE C C 20 175.750 175.750 176.035 -0.285 19274 2587 1 7 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.540 -0.749 19274 2588 1 7 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.658 0.322 19274 2589 1 7 . 1 1 20 20 PHE H H 20 7.260 7.260 7.284 -0.024 19274 2590 1 7 . 1 1 21 21 ASP N N 21 120.640 120.640 120.304 0.336 19274 2591 1 7 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.613 0.517 19274 2592 1 7 . 1 1 21 21 ASP C C 21 176.520 176.520 175.765 0.755 19274 2593 1 7 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.801 -1.261 19274 2594 1 7 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.109 -0.129 19274 2595 1 7 . 1 1 21 21 ASP H H 21 7.910 7.910 8.113 -0.203 19274 2596 1 7 . 1 1 22 22 ARG N N 22 124.740 124.740 122.603 2.137 19274 2597 1 7 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.448 -0.318 19274 2598 1 7 . 1 1 22 22 ARG C C 22 177.980 177.980 177.108 0.872 19274 2599 1 7 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.186 1.245 19274 2600 1 7 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.488 -0.098 19274 2601 1 7 . 1 1 22 22 ARG H H 22 8.120 8.120 7.664 0.456 19274 2602 1 7 . 1 1 23 23 ASP N N 23 116.400 116.400 120.529 -4.129 19274 2603 1 7 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.643 0.107 19274 2604 1 7 . 1 1 23 23 ASP C C 23 176.750 176.750 176.463 0.287 19274 2605 1 7 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.883 -0.162 19274 2606 1 7 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.918 0.302 19274 2607 1 7 . 1 1 23 23 ASP H H 23 8.670 8.670 8.258 0.412 19274 2608 1 7 . 1 1 24 24 GLY N N 24 110.310 110.310 107.407 2.903 19274 2609 1 7 . 1 1 24 24 GLY C C 24 175.410 175.410 174.766 0.644 19274 2610 1 7 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.153 1.911 19274 2611 1 7 . 1 1 24 24 GLY H H 24 8.000 8.000 8.253 -0.253 19274 2612 1 7 . 1 1 25 25 ASN N N 25 118.870 118.870 118.851 0.019 19274 2613 1 7 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.547 0.313 19274 2614 1 7 . 1 1 25 25 ASN C C 25 176.610 176.610 176.080 0.530 19274 2615 1 7 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.173 -0.023 19274 2616 1 7 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.512 0.918 19274 2617 1 7 . 1 1 25 25 ASN H H 25 9.250 9.250 8.231 1.019 19274 2618 1 7 . 1 1 26 26 GLY N N 26 110.130 110.130 106.024 4.106 19274 2619 1 7 . 1 1 26 26 GLY C C 26 173.300 173.300 172.872 0.428 19274 2620 1 7 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.469 0.121 19274 2621 1 7 . 1 1 26 26 GLY H H 26 10.110 10.110 8.449 1.661 19274 2622 1 7 . 1 1 27 27 TYR N N 27 118.030 118.030 116.100 1.930 19274 2623 1 7 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.789 0.861 19274 2624 1 7 . 1 1 27 27 TYR C C 27 176.130 176.130 173.043 3.087 19274 2625 1 7 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.236 1.055 19274 2626 1 7 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.379 1.111 19274 2627 1 7 . 1 1 27 27 TYR H H 27 8.010 8.010 7.148 0.862 19274 2628 1 7 . 1 1 28 28 VAL N N 28 111.260 111.260 114.572 -3.312 19274 2629 1 7 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.926 0.214 19274 2630 1 7 . 1 1 28 28 VAL C C 28 175.330 175.330 175.231 0.099 19274 2631 1 7 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.246 -0.155 19274 2632 1 7 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.165 1.175 19274 2633 1 7 . 1 1 28 28 VAL H H 28 8.810 8.810 8.654 0.156 19274 2634 1 7 . 1 1 29 29 THR N N 29 111.560 111.560 109.513 2.047 19274 2635 1 7 . 1 1 29 29 THR HA H 29 4.680 4.680 4.967 -0.287 19274 2636 1 7 . 1 1 29 29 THR C C 29 176.260 176.260 176.043 0.217 19274 2637 1 7 . 1 1 29 29 THR CA C 29 60.761 60.761 59.947 0.814 19274 2638 1 7 . 1 1 29 29 THR CB C 29 69.981 69.981 70.456 -0.475 19274 2639 1 7 . 1 1 29 29 THR H H 29 7.450 7.450 7.820 -0.370 19274 2640 1 7 . 1 1 30 30 VAL N N 30 119.990 119.990 121.372 -1.382 19274 2641 1 7 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.659 -0.099 19274 2642 1 7 . 1 1 30 30 VAL C C 30 177.080 177.080 176.575 0.505 19274 2643 1 7 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.472 0.469 19274 2644 1 7 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.816 -0.416 19274 2645 1 7 . 1 1 30 30 VAL H H 30 7.990 7.990 7.902 0.088 19274 2646 1 7 . 1 1 31 31 ASP N N 31 117.730 117.730 120.626 -2.896 19274 2647 1 7 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.289 0.031 19274 2648 1 7 . 1 1 31 31 ASP C C 31 178.650 178.650 178.274 0.376 19274 2649 1 7 . 1 1 31 31 ASP CA C 31 57.411 57.411 58.463 -1.052 19274 2650 1 7 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.403 0.307 19274 2651 1 7 . 1 1 31 31 ASP H H 31 8.060 8.060 8.309 -0.249 19274 2652 1 7 . 1 1 32 32 TYR N N 32 121.060 121.060 120.493 0.567 19274 2653 1 7 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.172 0.028 19274 2654 1 7 . 1 1 32 32 TYR C C 32 177.040 177.040 177.132 -0.092 19274 2655 1 7 . 1 1 32 32 TYR CA C 32 61.171 61.171 61.053 0.118 19274 2656 1 7 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.650 -0.810 19274 2657 1 7 . 1 1 32 32 TYR H H 32 7.760 7.760 7.580 0.180 19274 2658 1 7 . 1 1 33 33 LEU N N 33 120.480 120.480 120.837 -0.357 19274 2659 1 7 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.298 -0.348 19274 2660 1 7 . 1 1 33 33 LEU C C 33 178.060 178.060 178.660 -0.600 19274 2661 1 7 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.718 0.062 19274 2662 1 7 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.114 0.026 19274 2663 1 7 . 1 1 33 33 LEU H H 33 8.170 8.170 7.976 0.194 19274 2664 1 7 . 1 1 34 34 ARG N N 34 115.900 115.900 117.508 -1.608 19274 2665 1 7 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.002 -0.312 19274 2666 1 7 . 1 1 34 34 ARG C C 34 178.210 178.210 178.730 -0.520 19274 2667 1 7 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.382 0.999 19274 2668 1 7 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.030 0.300 19274 2669 1 7 . 1 1 34 34 ARG H H 34 8.260 8.260 8.170 0.090 19274 2670 1 7 . 1 1 35 35 LYS N N 35 119.800 119.800 120.637 -0.837 19274 2671 1 7 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.951 0.009 19274 2672 1 7 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.675 0.176 19274 2673 1 7 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.166 0.444 19274 2674 1 7 . 1 1 35 35 LYS H H 35 7.460 7.460 7.479 -0.019 19274 2675 1 7 . 1 1 36 36 VAL N N 36 119.380 119.380 119.740 -0.360 19274 2676 1 7 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.804 -0.304 19274 2677 1 7 . 1 1 36 36 VAL C C 36 178.790 178.790 177.913 0.877 19274 2678 1 7 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.152 1.039 19274 2679 1 7 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.504 0.316 19274 2680 1 7 . 1 1 36 36 VAL H H 36 8.020 8.020 7.230 0.790 19274 2681 1 7 . 1 1 37 37 LEU N N 37 116.970 116.970 118.069 -1.099 19274 2682 1 7 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.145 -0.085 19274 2683 1 7 . 1 1 37 37 LEU C C 37 179.560 179.560 177.974 1.586 19274 2684 1 7 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.788 1.203 19274 2685 1 7 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.367 -0.357 19274 2686 1 7 . 1 1 37 37 LEU H H 37 8.250 8.250 7.730 0.520 19274 2687 1 7 . 1 1 38 38 ASN N N 38 116.710 116.710 118.135 -1.425 19274 2688 1 7 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.504 0.076 19274 2689 1 7 . 1 1 38 38 ASN C C 38 177.520 177.520 176.637 0.883 19274 2690 1 7 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.776 0.173 19274 2691 1 7 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.125 -0.035 19274 2692 1 7 . 1 1 38 38 ASN H H 38 8.120 8.120 7.818 0.302 19274 2693 1 7 . 1 1 39 39 GLU N N 39 118.700 118.700 119.460 -0.760 19274 2694 1 7 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.062 0.188 19274 2695 1 7 . 1 1 39 39 GLU C C 39 177.680 177.680 178.592 -0.912 19274 2696 1 7 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.832 -1.031 19274 2697 1 7 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.802 -0.232 19274 2698 1 7 . 1 1 39 39 GLU H H 39 7.800 7.800 7.793 0.007 19274 2699 1 7 . 1 1 40 40 LEU N N 40 118.760 118.760 118.999 -0.239 19274 2700 1 7 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.356 0.014 19274 2701 1 7 . 1 1 40 40 LEU C C 40 177.940 177.940 177.850 0.090 19274 2702 1 7 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.197 -0.446 19274 2703 1 7 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.613 -0.483 19274 2704 1 7 . 1 1 40 40 LEU H H 40 7.710 7.710 7.964 -0.254 19274 2705 1 7 . 1 1 41 41 GLY N N 41 106.700 106.700 106.273 0.427 19274 2706 1 7 . 1 1 41 41 GLY CA C 41 46.100 46.100 45.016 1.084 19274 2707 1 7 . 1 1 41 41 GLY H H 41 7.780 7.780 7.431 0.349 19274 2708 1 7 . 1 1 42 42 ASP N N 42 120.920 120.920 122.497 -1.577 19274 2709 1 7 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.546 0.014 19274 2710 1 7 . 1 1 42 42 ASP C C 42 176.280 176.280 177.378 -1.098 19274 2711 1 7 . 1 1 42 42 ASP CA C 42 54.891 54.891 55.775 -0.884 19274 2712 1 7 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.781 -1.371 19274 2713 1 7 . 1 1 42 42 ASP H H 42 8.440 8.440 7.759 0.681 19274 2714 1 7 . 1 1 43 43 MET N N 43 118.550 118.550 118.511 0.039 19274 2715 1 7 . 1 1 43 43 MET HA H 43 4.380 4.380 4.370 0.010 19274 2716 1 7 . 1 1 43 43 MET C C 43 175.810 175.810 176.849 -1.039 19274 2717 1 7 . 1 1 43 43 MET CA C 43 56.801 56.801 56.666 0.135 19274 2718 1 7 . 1 1 43 43 MET CB C 43 33.140 33.140 33.344 -0.204 19274 2719 1 7 . 1 1 43 43 MET H H 43 8.180 8.180 8.185 -0.005 19274 2720 1 7 . 1 1 44 44 MET N N 44 119.050 119.050 119.112 -0.062 19274 2721 1 7 . 1 1 44 44 MET HA H 44 4.870 4.870 4.703 0.167 19274 2722 1 7 . 1 1 44 44 MET CA C 44 53.170 53.170 50.827 2.343 19274 2723 1 7 . 1 1 44 44 MET CB C 44 33.870 33.870 31.742 2.128 19274 2724 1 7 . 1 1 44 44 MET H H 44 7.920 7.920 7.818 0.102 19274 2725 1 7 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.493 0.037 19274 2726 1 7 . 1 1 45 45 PRO C C 45 177.450 177.450 176.653 0.797 19274 2727 1 7 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.788 -0.037 19274 2728 1 7 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.157 0.183 19274 2729 1 7 . 1 1 46 46 ALA N N 46 126.480 126.480 128.328 -1.848 19274 2730 1 7 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.996 0.094 19274 2731 1 7 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.970 0.561 19274 2732 1 7 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.904 -0.034 19274 2733 1 7 . 1 1 46 46 ALA H H 46 8.660 8.660 8.467 0.193 19274 2734 1 7 . 1 1 47 47 ASP N N 47 115.320 115.320 118.337 -3.017 19274 2735 1 7 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.222 0.178 19274 2736 1 7 . 1 1 47 47 ASP C C 47 179.710 179.710 178.297 1.413 19274 2737 1 7 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.379 -1.678 19274 2738 1 7 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.267 -0.578 19274 2739 1 7 . 1 1 47 47 ASP H H 47 8.840 8.840 8.516 0.324 19274 2740 1 7 . 1 1 48 48 GLU N N 48 120.590 120.590 119.606 0.984 19274 2741 1 7 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.138 0.132 19274 2742 1 7 . 1 1 48 48 GLU C C 48 178.700 178.700 178.713 -0.013 19274 2743 1 7 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.773 -0.252 19274 2744 1 7 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.386 0.514 19274 2745 1 7 . 1 1 48 48 GLU H H 48 7.580 7.580 7.630 -0.050 19274 2746 1 7 . 1 1 49 49 ILE N N 49 119.990 119.990 119.984 0.006 19274 2747 1 7 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.885 -0.105 19274 2748 1 7 . 1 1 49 49 ILE C C 49 177.640 177.640 178.449 -0.809 19274 2749 1 7 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.120 0.011 19274 2750 1 7 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.864 -0.164 19274 2751 1 7 . 1 1 49 49 ILE H H 49 7.690 7.690 7.475 0.215 19274 2752 1 7 . 1 1 50 50 GLU N N 50 117.290 117.290 119.443 -2.153 19274 2753 1 7 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.075 -0.105 19274 2754 1 7 . 1 1 50 50 GLU C C 50 179.400 179.400 179.459 -0.059 19274 2755 1 7 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.819 -0.638 19274 2756 1 7 . 1 1 50 50 GLU CB C 50 28.650 28.650 28.905 -0.255 19274 2757 1 7 . 1 1 50 50 GLU H H 50 8.040 8.040 8.453 -0.413 19274 2758 1 7 . 1 1 51 51 GLU N N 51 119.160 119.160 117.700 1.460 19274 2759 1 7 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.802 0.418 19274 2760 1 7 . 1 1 51 51 GLU C C 51 179.810 179.810 178.674 1.136 19274 2761 1 7 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.714 0.737 19274 2762 1 7 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.543 -0.233 19274 2763 1 7 . 1 1 51 51 GLU H H 51 7.750 7.750 7.622 0.128 19274 2764 1 7 . 1 1 52 52 MET N N 52 118.780 118.780 117.284 1.496 19274 2765 1 7 . 1 1 52 52 MET HA H 52 4.200 4.200 4.429 -0.229 19274 2766 1 7 . 1 1 52 52 MET CA C 52 59.191 59.191 58.641 0.550 19274 2767 1 7 . 1 1 52 52 MET CB C 52 33.580 33.580 33.135 0.445 19274 2768 1 7 . 1 1 52 52 MET H H 52 7.998 7.998 7.440 0.558 19274 2769 1 7 . 1 1 53 53 ILE N N 53 120.910 120.910 120.465 0.445 19274 2770 1 7 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.393 0.137 19274 2771 1 7 . 1 1 53 53 ILE C C 53 177.086 177.086 177.912 -0.826 19274 2772 1 7 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.790 1.879 19274 2773 1 7 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.369 0.311 19274 2774 1 7 . 1 1 53 53 ILE H H 53 8.420 8.420 8.115 0.305 19274 2775 1 7 . 1 1 54 54 TYR N N 54 119.030 119.030 118.888 0.142 19274 2776 1 7 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.276 0.024 19274 2777 1 7 . 1 1 54 54 TYR C C 54 177.910 177.910 177.711 0.199 19274 2778 1 7 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.581 1.190 19274 2779 1 7 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.436 0.114 19274 2780 1 7 . 1 1 54 54 TYR H H 54 7.850 7.850 8.097 -0.247 19274 2781 1 7 . 1 1 55 55 GLU N N 55 115.700 115.700 117.606 -1.906 19274 2782 1 7 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.261 -0.361 19274 2783 1 7 . 1 1 55 55 GLU C C 55 178.280 178.280 177.695 0.585 19274 2784 1 7 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.557 0.834 19274 2785 1 7 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.036 0.474 19274 2786 1 7 . 1 1 55 55 GLU H H 55 7.850 7.850 7.675 0.175 19274 2787 1 7 . 1 1 56 56 ALA N N 56 119.710 119.710 122.144 -2.434 19274 2788 1 7 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.069 0.321 19274 2789 1 7 . 1 1 56 56 ALA C C 56 177.670 177.670 176.672 0.998 19274 2790 1 7 . 1 1 56 56 ALA CA C 56 53.170 53.170 54.068 -0.898 19274 2791 1 7 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.161 0.829 19274 2792 1 7 . 1 1 56 56 ALA H H 56 8.009 8.009 7.681 0.328 19274 2793 1 7 . 1 1 57 57 ASP N N 57 117.020 117.020 116.518 0.502 19274 2794 1 7 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.027 0.313 19274 2795 1 7 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.167 1.143 19274 2796 1 7 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.624 -1.754 19274 2797 1 7 . 1 1 57 57 ASP H H 57 8.020 8.020 7.883 0.137 19274 2798 1 7 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.660 -0.350 19274 2799 1 7 . 1 1 58 58 PRO C C 58 178.470 178.470 177.723 0.747 19274 2800 1 7 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.983 1.348 19274 2801 1 7 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.711 -1.081 19274 2802 1 7 . 1 1 59 59 GLN N N 59 115.810 115.810 115.853 -0.043 19274 2803 1 7 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.262 0.248 19274 2804 1 7 . 1 1 59 59 GLN C C 59 176.290 176.290 175.537 0.753 19274 2805 1 7 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.966 -1.085 19274 2806 1 7 . 1 1 59 59 GLN CB C 59 27.580 27.580 29.015 -1.435 19274 2807 1 7 . 1 1 59 59 GLN H H 59 8.750 8.750 7.767 0.983 19274 2808 1 7 . 1 1 60 60 ASN N N 60 118.250 118.250 114.201 4.049 19274 2809 1 7 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.313 0.087 19274 2810 1 7 . 1 1 60 60 ASN C C 60 175.330 175.330 174.782 0.548 19274 2811 1 7 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.736 0.675 19274 2812 1 7 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.391 -0.621 19274 2813 1 7 . 1 1 60 60 ASN H H 60 8.350 8.350 8.152 0.198 19274 2814 1 7 . 1 1 61 61 SER N N 61 118.650 118.650 114.451 4.199 19274 2815 1 7 . 1 1 61 61 SER HA H 61 4.300 4.300 4.311 -0.011 19274 2816 1 7 . 1 1 61 61 SER C C 61 176.810 176.810 175.503 1.307 19274 2817 1 7 . 1 1 61 61 SER CA C 61 60.881 60.881 59.988 0.893 19274 2818 1 7 . 1 1 61 61 SER CB C 61 65.031 65.031 63.814 1.217 19274 2819 1 7 . 1 1 61 61 SER H H 61 9.990 9.990 8.324 1.666 19274 2820 1 7 . 1 1 62 62 GLY N N 62 112.630 112.630 108.541 4.089 19274 2821 1 7 . 1 1 62 62 GLY C C 62 173.960 173.960 173.000 0.960 19274 2822 1 7 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.109 0.221 19274 2823 1 7 . 1 1 62 62 GLY H H 62 10.440 10.440 7.831 2.609 19274 2824 1 7 . 1 1 63 63 TYR N N 63 121.250 121.250 119.083 2.167 19274 2825 1 7 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.232 0.018 19274 2826 1 7 . 1 1 63 63 TYR C C 63 173.900 173.900 174.700 -0.800 19274 2827 1 7 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.854 0.417 19274 2828 1 7 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.209 3.551 19274 2829 1 7 . 1 1 63 63 TYR H H 63 8.180 8.180 8.239 -0.059 19274 2830 1 7 . 1 1 64 64 VAL N N 64 115.490 115.490 123.465 -7.975 19274 2831 1 7 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.446 0.034 19274 2832 1 7 . 1 1 64 64 VAL C C 64 174.240 174.240 174.795 -0.555 19274 2833 1 7 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.186 0.995 19274 2834 1 7 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.657 1.933 19274 2835 1 7 . 1 1 64 64 VAL H H 64 8.930 8.930 8.273 0.657 19274 2836 1 7 . 1 1 65 65 GLN N N 65 128.370 128.370 129.921 -1.551 19274 2837 1 7 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.299 0.131 19274 2838 1 7 . 1 1 65 65 GLN C C 65 177.110 177.110 176.429 0.681 19274 2839 1 7 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.095 0.076 19274 2840 1 7 . 1 1 65 65 GLN CB C 65 27.790 27.790 26.569 1.221 19274 2841 1 7 . 1 1 65 65 GLN H H 65 8.870 8.870 8.784 0.086 19274 2842 1 7 . 1 1 66 66 TYR N N 66 124.870 124.870 122.821 2.049 19274 2843 1 7 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.925 0.085 19274 2844 1 7 . 1 1 66 66 TYR C C 66 176.650 176.650 176.767 -0.117 19274 2845 1 7 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.660 -0.379 19274 2846 1 7 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.951 0.559 19274 2847 1 7 . 1 1 66 66 TYR H H 66 7.490 7.490 7.904 -0.414 19274 2848 1 7 . 1 1 67 67 GLU N N 67 125.080 125.080 119.018 6.062 19274 2849 1 7 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.901 0.049 19274 2850 1 7 . 1 1 67 67 GLU C C 67 179.630 179.630 178.264 1.366 19274 2851 1 7 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.612 1.129 19274 2852 1 7 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.110 -0.200 19274 2853 1 7 . 1 1 67 67 GLU H H 67 9.010 9.010 8.160 0.850 19274 2854 1 7 . 1 1 68 68 THR N N 68 114.620 114.620 113.001 1.619 19274 2855 1 7 . 1 1 68 68 THR HA H 68 4.000 4.000 4.041 -0.041 19274 2856 1 7 . 1 1 68 68 THR C C 68 176.510 176.510 176.462 0.048 19274 2857 1 7 . 1 1 68 68 THR CA C 68 64.921 64.921 65.025 -0.104 19274 2858 1 7 . 1 1 68 68 THR CB C 68 68.451 68.451 68.348 0.103 19274 2859 1 7 . 1 1 68 68 THR H H 68 7.550 7.550 7.564 -0.014 19274 2860 1 7 . 1 1 69 69 PHE N N 69 122.710 122.710 123.496 -0.786 19274 2861 1 7 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.236 -0.106 19274 2862 1 7 . 1 1 69 69 PHE C C 69 177.160 177.160 176.537 0.623 19274 2863 1 7 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.437 1.354 19274 2864 1 7 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.177 0.893 19274 2865 1 7 . 1 1 69 69 PHE H H 69 7.740 7.740 7.757 -0.017 19274 2866 1 7 . 1 1 70 70 VAL N N 70 116.340 116.340 118.230 -1.890 19274 2867 1 7 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.266 0.424 19274 2868 1 7 . 1 1 70 70 VAL C C 70 178.010 178.010 178.081 -0.071 19274 2869 1 7 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.787 0.604 19274 2870 1 7 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.174 0.446 19274 2871 1 7 . 1 1 70 70 VAL H H 70 8.600 8.600 8.377 0.223 19274 2872 1 7 . 1 1 71 71 GLY N N 71 105.990 105.990 108.274 -2.284 19274 2873 1 7 . 1 1 71 71 GLY C C 71 174.980 174.980 175.227 -0.247 19274 2874 1 7 . 1 1 71 71 GLY CA C 71 46.750 46.750 46.987 -0.237 19274 2875 1 7 . 1 1 71 71 GLY H H 71 7.690 7.690 7.921 -0.231 19274 2876 1 7 . 1 1 72 72 MET N N 72 117.740 117.740 119.459 -1.719 19274 2877 1 7 . 1 1 72 72 MET HA H 72 4.260 4.260 4.311 -0.051 19274 2878 1 7 . 1 1 72 72 MET C C 72 176.400 176.400 177.369 -0.969 19274 2879 1 7 . 1 1 72 72 MET CA C 72 56.611 56.611 56.784 -0.173 19274 2880 1 7 . 1 1 72 72 MET CB C 72 33.000 33.000 32.943 0.057 19274 2881 1 7 . 1 1 72 72 MET H H 72 7.450 7.450 7.585 -0.135 19274 2882 1 7 . 1 1 73 73 LEU N N 73 118.370 118.370 121.299 -2.929 19274 2883 1 7 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.844 0.176 19274 2884 1 7 . 1 1 73 73 LEU C C 73 176.700 176.700 176.856 -0.156 19274 2885 1 7 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.709 -1.188 19274 2886 1 7 . 1 1 73 73 LEU CB C 73 43.100 43.100 42.431 0.669 19274 2887 1 7 . 1 1 73 73 LEU H H 73 7.380 7.380 7.583 -0.203 19274 2888 1 7 . 1 1 74 74 PHE N N 74 117.280 117.280 116.492 0.788 19274 2889 1 7 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.224 0.266 19274 2890 1 7 . 1 1 74 74 PHE C C 74 175.380 175.380 175.996 -0.616 19274 2891 1 7 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.221 -0.840 19274 2892 1 7 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.223 0.187 19274 2893 1 7 . 1 1 74 74 PHE H H 74 7.830 7.830 7.704 0.126 19274 2894 1 7 . 1 1 75 75 LEU N N 75 120.310 120.310 119.169 1.141 19274 2895 1 7 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.154 -0.004 19274 2896 1 7 . 1 1 75 75 LEU C C 75 176.640 176.640 177.475 -0.835 19274 2897 1 7 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.137 0.314 19274 2898 1 7 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.324 0.466 19274 2899 1 7 . 1 1 75 75 LEU H H 75 7.270 7.270 7.204 0.066 19274 2900 1 7 . 1 1 76 76 TRP N N 76 119.350 119.350 121.074 -1.724 19274 2901 1 7 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.490 0.320 19274 2902 1 7 . 1 1 76 76 TRP C C 76 175.050 175.050 177.060 -2.010 19274 2903 1 7 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.014 1.067 19274 2904 1 7 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.823 0.877 19274 2905 1 7 . 1 1 76 76 TRP H H 76 7.870 7.870 7.245 0.625 19274 2906 1 8 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.342 -0.272 19274 2907 1 8 . 1 1 3 3 HIS CB C 3 31.760 31.760 31.032 0.728 19274 2908 1 8 . 1 1 4 4 MET N N 4 120.140 120.140 121.734 -1.594 19274 2909 1 8 . 1 1 4 4 MET HA H 4 4.390 4.390 4.317 0.073 19274 2910 1 8 . 1 1 4 4 MET CA C 4 55.160 55.160 54.611 0.549 19274 2911 1 8 . 1 1 4 4 MET CB C 4 32.400 32.400 32.307 0.093 19274 2912 1 8 . 1 1 4 4 MET H H 4 8.380 8.380 8.612 -0.232 19274 2913 1 8 . 1 1 5 5 ASN N N 5 119.370 119.370 120.224 -0.854 19274 2914 1 8 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.499 0.171 19274 2915 1 8 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.780 -0.090 19274 2916 1 8 . 1 1 5 5 ASN H H 5 8.360 8.360 8.246 0.114 19274 2917 1 8 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.607 0.093 19274 2918 1 8 . 1 1 6 6 HIS C C 6 174.900 174.900 175.174 -0.274 19274 2919 1 8 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.804 0.296 19274 2920 1 8 . 1 1 6 6 HIS CB C 6 29.920 29.920 28.217 1.703 19274 2921 1 8 . 1 1 7 7 ILE N N 7 121.430 121.430 122.419 -0.989 19274 2922 1 8 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.388 -0.308 19274 2923 1 8 . 1 1 7 7 ILE C C 7 175.940 175.940 175.411 0.529 19274 2924 1 8 . 1 1 7 7 ILE CA C 7 61.711 61.711 59.399 2.312 19274 2925 1 8 . 1 1 7 7 ILE CB C 7 38.560 38.560 35.918 2.642 19274 2926 1 8 . 1 1 7 7 ILE H H 7 8.090 8.090 7.772 0.318 19274 2927 1 8 . 1 1 8 8 ASN N N 8 121.280 121.280 127.590 -6.310 19274 2928 1 8 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.826 0.054 19274 2929 1 8 . 1 1 8 8 ASN C C 8 175.360 175.360 174.293 1.067 19274 2930 1 8 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.097 0.533 19274 2931 1 8 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.095 1.495 19274 2932 1 8 . 1 1 8 8 ASN H H 8 8.520 8.520 8.815 -0.295 19274 2933 1 8 . 1 1 9 9 THR N N 9 112.710 112.710 118.341 -5.631 19274 2934 1 8 . 1 1 9 9 THR HA H 9 4.370 4.370 4.489 -0.119 19274 2935 1 8 . 1 1 9 9 THR C C 9 174.690 174.690 173.549 1.141 19274 2936 1 8 . 1 1 9 9 THR CA C 9 62.100 62.100 61.877 0.223 19274 2937 1 8 . 1 1 9 9 THR CB C 9 71.021 71.021 71.449 -0.428 19274 2938 1 8 . 1 1 9 9 THR H H 9 8.020 8.020 7.827 0.193 19274 2939 1 8 . 1 1 10 10 LYS N N 10 122.130 122.130 125.807 -3.677 19274 2940 1 8 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.635 -0.375 19274 2941 1 8 . 1 1 10 10 LYS C C 10 177.710 177.710 177.839 -0.129 19274 2942 1 8 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.299 1.901 19274 2943 1 8 . 1 1 10 10 LYS CB C 10 32.070 32.070 32.532 -0.462 19274 2944 1 8 . 1 1 10 10 LYS H H 10 8.390 8.390 8.655 -0.265 19274 2945 1 8 . 1 1 11 11 ALA N N 11 118.760 118.760 122.214 -3.454 19274 2946 1 8 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.158 -0.118 19274 2947 1 8 . 1 1 11 11 ALA C C 11 180.540 180.540 179.432 1.108 19274 2948 1 8 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.711 0.280 19274 2949 1 8 . 1 1 11 11 ALA CB C 11 18.050 18.050 17.884 0.166 19274 2950 1 8 . 1 1 11 11 ALA H H 11 8.120 8.120 8.233 -0.113 19274 2951 1 8 . 1 1 12 12 GLN N N 12 116.840 116.840 117.490 -0.650 19274 2952 1 8 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.192 -0.152 19274 2953 1 8 . 1 1 12 12 GLN C C 12 178.940 178.940 178.795 0.145 19274 2954 1 8 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.709 -0.148 19274 2955 1 8 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.052 1.067 19274 2956 1 8 . 1 1 12 12 GLN H H 12 7.700 7.700 8.466 -0.766 19274 2957 1 8 . 1 1 13 13 VAL N N 13 121.610 121.610 120.292 1.318 19274 2958 1 8 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.644 -0.184 19274 2959 1 8 . 1 1 13 13 VAL C C 13 176.920 176.920 177.496 -0.576 19274 2960 1 8 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.553 0.938 19274 2961 1 8 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.683 -0.373 19274 2962 1 8 . 1 1 13 13 VAL H H 13 7.990 7.990 7.231 0.759 19274 2963 1 8 . 1 1 14 14 ILE N N 14 118.850 118.850 118.628 0.222 19274 2964 1 8 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.913 -0.113 19274 2965 1 8 . 1 1 14 14 ILE C C 14 178.130 178.130 178.346 -0.216 19274 2966 1 8 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.821 0.589 19274 2967 1 8 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.750 -0.580 19274 2968 1 8 . 1 1 14 14 ILE H H 14 8.220 8.220 7.259 0.961 19274 2969 1 8 . 1 1 15 15 GLU N N 15 118.090 118.090 119.225 -1.135 19274 2970 1 8 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.025 -0.065 19274 2971 1 8 . 1 1 15 15 GLU C C 15 178.310 178.310 178.753 -0.443 19274 2972 1 8 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.083 0.257 19274 2973 1 8 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.304 -0.044 19274 2974 1 8 . 1 1 15 15 GLU H H 15 7.940 7.940 8.276 -0.336 19274 2975 1 8 . 1 1 16 16 ALA N N 16 120.860 120.860 122.682 -1.822 19274 2976 1 8 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.124 0.006 19274 2977 1 8 . 1 1 16 16 ALA C C 16 180.840 180.840 179.644 1.196 19274 2978 1 8 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.890 -0.089 19274 2979 1 8 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.098 -0.308 19274 2980 1 8 . 1 1 16 16 ALA H H 16 7.560 7.560 7.819 -0.259 19274 2981 1 8 . 1 1 17 17 PHE N N 17 116.830 116.830 116.891 -0.061 19274 2982 1 8 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.244 0.146 19274 2983 1 8 . 1 1 17 17 PHE C C 17 177.550 177.550 177.567 -0.017 19274 2984 1 8 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.793 -1.862 19274 2985 1 8 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.093 -0.203 19274 2986 1 8 . 1 1 17 17 PHE H H 17 7.730 7.730 7.735 -0.005 19274 2987 1 8 . 1 1 18 18 LYS N N 18 119.360 119.360 119.214 0.146 19274 2988 1 8 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.202 -0.232 19274 2989 1 8 . 1 1 18 18 LYS C C 18 178.860 178.860 178.476 0.384 19274 2990 1 8 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.264 1.367 19274 2991 1 8 . 1 1 18 18 LYS CB C 18 32.460 32.460 31.740 0.720 19274 2992 1 8 . 1 1 18 18 LYS H H 18 8.290 8.290 7.580 0.710 19274 2993 1 8 . 1 1 19 19 VAL N N 19 116.479 116.479 118.654 -2.175 19274 2994 1 8 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.746 -0.096 19274 2995 1 8 . 1 1 19 19 VAL C C 19 177.020 177.020 177.762 -0.742 19274 2996 1 8 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.533 -0.482 19274 2997 1 8 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.373 0.616 19274 2998 1 8 . 1 1 19 19 VAL H H 19 7.400 7.400 7.510 -0.110 19274 2999 1 8 . 1 1 20 20 PHE N N 20 118.120 118.120 119.282 -1.162 19274 3000 1 8 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.062 0.268 19274 3001 1 8 . 1 1 20 20 PHE C C 20 175.750 175.750 176.609 -0.859 19274 3002 1 8 . 1 1 20 20 PHE CA C 20 58.791 58.791 60.108 -1.317 19274 3003 1 8 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.299 0.681 19274 3004 1 8 . 1 1 20 20 PHE H H 20 7.260 7.260 7.374 -0.114 19274 3005 1 8 . 1 1 21 21 ASP N N 21 120.640 120.640 119.204 1.436 19274 3006 1 8 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.645 0.485 19274 3007 1 8 . 1 1 21 21 ASP C C 21 176.520 176.520 176.161 0.359 19274 3008 1 8 . 1 1 21 21 ASP CA C 21 52.540 52.540 52.920 -0.380 19274 3009 1 8 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.867 0.113 19274 3010 1 8 . 1 1 21 21 ASP H H 21 7.910 7.910 8.230 -0.320 19274 3011 1 8 . 1 1 22 22 ARG N N 22 124.740 124.740 123.089 1.651 19274 3012 1 8 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.048 0.082 19274 3013 1 8 . 1 1 22 22 ARG C C 22 177.980 177.980 177.566 0.414 19274 3014 1 8 . 1 1 22 22 ARG CA C 22 58.431 58.431 58.322 0.109 19274 3015 1 8 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.256 0.134 19274 3016 1 8 . 1 1 22 22 ARG H H 22 8.120 8.120 7.575 0.545 19274 3017 1 8 . 1 1 23 23 ASP N N 23 116.400 116.400 116.243 0.157 19274 3018 1 8 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.429 0.321 19274 3019 1 8 . 1 1 23 23 ASP C C 23 176.750 176.750 176.741 0.009 19274 3020 1 8 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.760 -0.039 19274 3021 1 8 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.973 0.247 19274 3022 1 8 . 1 1 23 23 ASP H H 23 8.670 8.670 8.177 0.493 19274 3023 1 8 . 1 1 24 24 GLY N N 24 110.310 110.310 108.024 2.286 19274 3024 1 8 . 1 1 24 24 GLY C C 24 175.410 175.410 174.910 0.500 19274 3025 1 8 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.572 1.492 19274 3026 1 8 . 1 1 24 24 GLY H H 24 8.000 8.000 7.934 0.066 19274 3027 1 8 . 1 1 25 25 ASN N N 25 118.870 118.870 117.670 1.200 19274 3028 1 8 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.504 0.356 19274 3029 1 8 . 1 1 25 25 ASN C C 25 176.610 176.610 176.553 0.057 19274 3030 1 8 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.521 -0.371 19274 3031 1 8 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.306 0.124 19274 3032 1 8 . 1 1 25 25 ASN H H 25 9.250 9.250 8.192 1.058 19274 3033 1 8 . 1 1 26 26 GLY N N 26 110.130 110.130 106.604 3.526 19274 3034 1 8 . 1 1 26 26 GLY C C 26 173.300 173.300 172.969 0.331 19274 3035 1 8 . 1 1 26 26 GLY CA C 26 45.590 45.590 44.835 0.755 19274 3036 1 8 . 1 1 26 26 GLY H H 26 10.110 10.110 8.409 1.701 19274 3037 1 8 . 1 1 27 27 TYR N N 27 118.030 118.030 115.632 2.398 19274 3038 1 8 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.734 0.916 19274 3039 1 8 . 1 1 27 27 TYR C C 27 176.130 176.130 173.476 2.654 19274 3040 1 8 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.299 0.992 19274 3041 1 8 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.943 0.547 19274 3042 1 8 . 1 1 27 27 TYR H H 27 8.010 8.010 7.184 0.826 19274 3043 1 8 . 1 1 28 28 VAL N N 28 111.260 111.260 114.560 -3.300 19274 3044 1 8 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.982 0.158 19274 3045 1 8 . 1 1 28 28 VAL C C 28 175.330 175.330 175.278 0.052 19274 3046 1 8 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.446 -0.355 19274 3047 1 8 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.320 1.020 19274 3048 1 8 . 1 1 28 28 VAL H H 28 8.810 8.810 8.953 -0.143 19274 3049 1 8 . 1 1 29 29 THR N N 29 111.560 111.560 111.538 0.022 19274 3050 1 8 . 1 1 29 29 THR HA H 29 4.680 4.680 4.537 0.143 19274 3051 1 8 . 1 1 29 29 THR C C 29 176.260 176.260 175.981 0.279 19274 3052 1 8 . 1 1 29 29 THR CA C 29 60.761 60.761 61.607 -0.846 19274 3053 1 8 . 1 1 29 29 THR CB C 29 69.981 69.981 69.545 0.436 19274 3054 1 8 . 1 1 29 29 THR H H 29 7.450 7.450 8.407 -0.957 19274 3055 1 8 . 1 1 30 30 VAL N N 30 119.990 119.990 122.113 -2.123 19274 3056 1 8 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.728 -0.168 19274 3057 1 8 . 1 1 30 30 VAL C C 30 177.080 177.080 176.350 0.730 19274 3058 1 8 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.209 0.732 19274 3059 1 8 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.086 -0.686 19274 3060 1 8 . 1 1 30 30 VAL H H 30 7.990 7.990 8.028 -0.038 19274 3061 1 8 . 1 1 31 31 ASP N N 31 117.730 117.730 120.353 -2.623 19274 3062 1 8 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.255 0.065 19274 3063 1 8 . 1 1 31 31 ASP C C 31 178.650 178.650 177.797 0.853 19274 3064 1 8 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.688 -0.277 19274 3065 1 8 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.816 -0.106 19274 3066 1 8 . 1 1 31 31 ASP H H 31 8.060 8.060 8.374 -0.314 19274 3067 1 8 . 1 1 32 32 TYR N N 32 121.060 121.060 120.121 0.939 19274 3068 1 8 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.929 0.271 19274 3069 1 8 . 1 1 32 32 TYR C C 32 177.040 177.040 177.004 0.036 19274 3070 1 8 . 1 1 32 32 TYR CA C 32 61.171 61.171 61.015 0.156 19274 3071 1 8 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.052 -0.212 19274 3072 1 8 . 1 1 32 32 TYR H H 32 7.760 7.760 7.386 0.374 19274 3073 1 8 . 1 1 33 33 LEU N N 33 120.480 120.480 120.312 0.168 19274 3074 1 8 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.111 -0.161 19274 3075 1 8 . 1 1 33 33 LEU C C 33 178.060 178.060 178.727 -0.667 19274 3076 1 8 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.776 0.004 19274 3077 1 8 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.050 0.090 19274 3078 1 8 . 1 1 33 33 LEU H H 33 8.170 8.170 7.702 0.468 19274 3079 1 8 . 1 1 34 34 ARG N N 34 115.900 115.900 117.675 -1.775 19274 3080 1 8 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.983 -0.293 19274 3081 1 8 . 1 1 34 34 ARG C C 34 178.210 178.210 178.679 -0.469 19274 3082 1 8 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.592 0.789 19274 3083 1 8 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.009 0.321 19274 3084 1 8 . 1 1 34 34 ARG H H 34 8.260 8.260 8.150 0.110 19274 3085 1 8 . 1 1 35 35 LYS N N 35 119.800 119.800 120.503 -0.703 19274 3086 1 8 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.962 -0.002 19274 3087 1 8 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.461 0.390 19274 3088 1 8 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.236 0.374 19274 3089 1 8 . 1 1 35 35 LYS H H 35 7.460 7.460 7.515 -0.055 19274 3090 1 8 . 1 1 36 36 VAL N N 36 119.380 119.380 119.430 -0.050 19274 3091 1 8 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.485 0.015 19274 3092 1 8 . 1 1 36 36 VAL C C 36 178.790 178.790 177.690 1.100 19274 3093 1 8 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.468 0.723 19274 3094 1 8 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.452 0.368 19274 3095 1 8 . 1 1 36 36 VAL H H 36 8.020 8.020 7.302 0.718 19274 3096 1 8 . 1 1 37 37 LEU N N 37 116.970 116.970 118.723 -1.753 19274 3097 1 8 . 1 1 37 37 LEU HA H 37 4.060 4.060 3.959 0.101 19274 3098 1 8 . 1 1 37 37 LEU C C 37 179.560 179.560 179.324 0.236 19274 3099 1 8 . 1 1 37 37 LEU CA C 37 57.991 57.991 57.624 0.367 19274 3100 1 8 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.431 -0.421 19274 3101 1 8 . 1 1 37 37 LEU H H 37 8.250 8.250 7.579 0.671 19274 3102 1 8 . 1 1 38 38 ASN N N 38 116.710 116.710 117.577 -0.867 19274 3103 1 8 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.584 -0.004 19274 3104 1 8 . 1 1 38 38 ASN C C 38 177.520 177.520 177.040 0.480 19274 3105 1 8 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.251 0.699 19274 3106 1 8 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.806 0.284 19274 3107 1 8 . 1 1 38 38 ASN H H 38 8.120 8.120 8.065 0.055 19274 3108 1 8 . 1 1 39 39 GLU N N 39 118.700 118.700 118.261 0.439 19274 3109 1 8 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.194 0.056 19274 3110 1 8 . 1 1 39 39 GLU C C 39 177.680 177.680 177.979 -0.299 19274 3111 1 8 . 1 1 39 39 GLU CA C 39 57.801 57.801 57.785 0.016 19274 3112 1 8 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.703 -0.133 19274 3113 1 8 . 1 1 39 39 GLU H H 39 7.800 7.800 7.808 -0.008 19274 3114 1 8 . 1 1 40 40 LEU N N 40 118.760 118.760 118.236 0.524 19274 3115 1 8 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.182 0.188 19274 3116 1 8 . 1 1 40 40 LEU C C 40 177.940 177.940 177.705 0.235 19274 3117 1 8 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.415 -0.664 19274 3118 1 8 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.720 -0.590 19274 3119 1 8 . 1 1 40 40 LEU H H 40 7.710 7.710 7.471 0.239 19274 3120 1 8 . 1 1 41 41 GLY N N 41 106.700 106.700 105.469 1.231 19274 3121 1 8 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.908 1.192 19274 3122 1 8 . 1 1 41 41 GLY H H 41 7.780 7.780 7.472 0.308 19274 3123 1 8 . 1 1 42 42 ASP N N 42 120.920 120.920 124.447 -3.527 19274 3124 1 8 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.523 0.037 19274 3125 1 8 . 1 1 42 42 ASP C C 42 176.280 176.280 176.832 -0.552 19274 3126 1 8 . 1 1 42 42 ASP CA C 42 54.891 54.891 55.724 -0.833 19274 3127 1 8 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.714 -0.304 19274 3128 1 8 . 1 1 42 42 ASP H H 42 8.440 8.440 8.696 -0.256 19274 3129 1 8 . 1 1 43 43 MET N N 43 118.550 118.550 117.732 0.818 19274 3130 1 8 . 1 1 43 43 MET HA H 43 4.380 4.380 4.335 0.045 19274 3131 1 8 . 1 1 43 43 MET C C 43 175.810 175.810 176.427 -0.617 19274 3132 1 8 . 1 1 43 43 MET CA C 43 56.801 56.801 55.895 0.906 19274 3133 1 8 . 1 1 43 43 MET CB C 43 33.140 33.140 32.145 0.994 19274 3134 1 8 . 1 1 43 43 MET H H 43 8.180 8.180 7.952 0.228 19274 3135 1 8 . 1 1 44 44 MET N N 44 119.050 119.050 119.266 -0.216 19274 3136 1 8 . 1 1 44 44 MET HA H 44 4.870 4.870 4.781 0.089 19274 3137 1 8 . 1 1 44 44 MET CA C 44 53.170 53.170 50.969 2.201 19274 3138 1 8 . 1 1 44 44 MET CB C 44 33.870 33.870 31.667 2.203 19274 3139 1 8 . 1 1 44 44 MET H H 44 7.920 7.920 7.450 0.470 19274 3140 1 8 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.494 0.036 19274 3141 1 8 . 1 1 45 45 PRO C C 45 177.450 177.450 176.889 0.561 19274 3142 1 8 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.961 -0.210 19274 3143 1 8 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.587 0.753 19274 3144 1 8 . 1 1 46 46 ALA N N 46 126.480 126.480 129.726 -3.246 19274 3145 1 8 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.090 0.000 19274 3146 1 8 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.626 0.905 19274 3147 1 8 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.481 0.389 19274 3148 1 8 . 1 1 46 46 ALA H H 46 8.660 8.660 8.617 0.043 19274 3149 1 8 . 1 1 47 47 ASP N N 47 115.320 115.320 118.549 -3.229 19274 3150 1 8 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.262 0.138 19274 3151 1 8 . 1 1 47 47 ASP C C 47 179.710 179.710 178.450 1.260 19274 3152 1 8 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.060 -1.359 19274 3153 1 8 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.197 -0.507 19274 3154 1 8 . 1 1 47 47 ASP H H 47 8.840 8.840 8.816 0.024 19274 3155 1 8 . 1 1 48 48 GLU N N 48 120.590 120.590 119.345 1.245 19274 3156 1 8 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.107 0.163 19274 3157 1 8 . 1 1 48 48 GLU C C 48 178.700 178.700 179.063 -0.363 19274 3158 1 8 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.389 -0.869 19274 3159 1 8 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.570 0.330 19274 3160 1 8 . 1 1 48 48 GLU H H 48 7.580 7.580 7.656 -0.076 19274 3161 1 8 . 1 1 49 49 ILE N N 49 119.990 119.990 119.871 0.119 19274 3162 1 8 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.926 -0.146 19274 3163 1 8 . 1 1 49 49 ILE C C 49 177.640 177.640 178.588 -0.948 19274 3164 1 8 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.073 0.058 19274 3165 1 8 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.966 -0.266 19274 3166 1 8 . 1 1 49 49 ILE H H 49 7.690 7.690 7.384 0.306 19274 3167 1 8 . 1 1 50 50 GLU N N 50 117.290 117.290 119.126 -1.836 19274 3168 1 8 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.097 -0.127 19274 3169 1 8 . 1 1 50 50 GLU C C 50 179.400 179.400 179.440 -0.040 19274 3170 1 8 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.889 -0.708 19274 3171 1 8 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.006 -0.356 19274 3172 1 8 . 1 1 50 50 GLU H H 50 8.040 8.040 8.341 -0.301 19274 3173 1 8 . 1 1 51 51 GLU N N 51 119.160 119.160 118.203 0.957 19274 3174 1 8 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.028 0.192 19274 3175 1 8 . 1 1 51 51 GLU C C 51 179.810 179.810 178.780 1.030 19274 3176 1 8 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.426 1.025 19274 3177 1 8 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.319 -0.009 19274 3178 1 8 . 1 1 51 51 GLU H H 51 7.750 7.750 7.678 0.072 19274 3179 1 8 . 1 1 52 52 MET N N 52 118.780 118.780 118.564 0.216 19274 3180 1 8 . 1 1 52 52 MET HA H 52 4.200 4.200 4.422 -0.222 19274 3181 1 8 . 1 1 52 52 MET CA C 52 59.191 59.191 57.512 1.679 19274 3182 1 8 . 1 1 52 52 MET CB C 52 33.580 33.580 32.121 1.459 19274 3183 1 8 . 1 1 52 52 MET H H 52 7.998 7.998 7.949 0.049 19274 3184 1 8 . 1 1 53 53 ILE N N 53 120.910 120.910 120.018 0.892 19274 3185 1 8 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.438 0.092 19274 3186 1 8 . 1 1 53 53 ILE C C 53 177.086 177.086 177.746 -0.660 19274 3187 1 8 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.436 1.232 19274 3188 1 8 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.454 0.226 19274 3189 1 8 . 1 1 53 53 ILE H H 53 8.420 8.420 8.219 0.201 19274 3190 1 8 . 1 1 54 54 TYR N N 54 119.030 119.030 118.560 0.470 19274 3191 1 8 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.248 0.052 19274 3192 1 8 . 1 1 54 54 TYR C C 54 177.910 177.910 178.104 -0.194 19274 3193 1 8 . 1 1 54 54 TYR CA C 54 60.771 60.771 60.058 0.713 19274 3194 1 8 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.417 0.133 19274 3195 1 8 . 1 1 54 54 TYR H H 54 7.850 7.850 7.798 0.052 19274 3196 1 8 . 1 1 55 55 GLU N N 55 115.700 115.700 118.188 -2.488 19274 3197 1 8 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.156 -0.256 19274 3198 1 8 . 1 1 55 55 GLU C C 55 178.280 178.280 178.296 -0.016 19274 3199 1 8 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.462 -0.071 19274 3200 1 8 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.269 0.241 19274 3201 1 8 . 1 1 55 55 GLU H H 55 7.850 7.850 7.746 0.104 19274 3202 1 8 . 1 1 56 56 ALA N N 56 119.710 119.710 121.029 -1.319 19274 3203 1 8 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.255 0.135 19274 3204 1 8 . 1 1 56 56 ALA C C 56 177.670 177.670 177.491 0.179 19274 3205 1 8 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.300 -0.130 19274 3206 1 8 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.841 0.149 19274 3207 1 8 . 1 1 56 56 ALA H H 56 8.009 8.009 7.641 0.368 19274 3208 1 8 . 1 1 57 57 ASP N N 57 117.020 117.020 117.723 -0.703 19274 3209 1 8 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.011 0.329 19274 3210 1 8 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.546 1.764 19274 3211 1 8 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.685 -0.816 19274 3212 1 8 . 1 1 57 57 ASP H H 57 8.020 8.020 7.902 0.118 19274 3213 1 8 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.795 -0.485 19274 3214 1 8 . 1 1 58 58 PRO C C 58 178.470 178.470 177.507 0.963 19274 3215 1 8 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.056 1.275 19274 3216 1 8 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.530 -0.900 19274 3217 1 8 . 1 1 59 59 GLN N N 59 115.810 115.810 116.286 -0.476 19274 3218 1 8 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.291 0.219 19274 3219 1 8 . 1 1 59 59 GLN C C 59 176.290 176.290 175.435 0.855 19274 3220 1 8 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.582 -0.701 19274 3221 1 8 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.874 -1.294 19274 3222 1 8 . 1 1 59 59 GLN H H 59 8.750 8.750 7.759 0.991 19274 3223 1 8 . 1 1 60 60 ASN N N 60 118.250 118.250 116.803 1.447 19274 3224 1 8 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.274 0.126 19274 3225 1 8 . 1 1 60 60 ASN C C 60 175.330 175.330 174.854 0.476 19274 3226 1 8 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.579 0.832 19274 3227 1 8 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.283 -0.513 19274 3228 1 8 . 1 1 60 60 ASN H H 60 8.350 8.350 8.033 0.317 19274 3229 1 8 . 1 1 61 61 SER N N 61 118.650 118.650 115.772 2.878 19274 3230 1 8 . 1 1 61 61 SER HA H 61 4.300 4.300 4.388 -0.088 19274 3231 1 8 . 1 1 61 61 SER C C 61 176.810 176.810 175.735 1.075 19274 3232 1 8 . 1 1 61 61 SER CA C 61 60.881 60.881 59.547 1.334 19274 3233 1 8 . 1 1 61 61 SER CB C 61 65.031 65.031 64.114 0.917 19274 3234 1 8 . 1 1 61 61 SER H H 61 9.990 9.990 8.107 1.883 19274 3235 1 8 . 1 1 62 62 GLY N N 62 112.630 112.630 107.841 4.789 19274 3236 1 8 . 1 1 62 62 GLY C C 62 173.960 173.960 172.893 1.067 19274 3237 1 8 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.953 0.377 19274 3238 1 8 . 1 1 62 62 GLY H H 62 10.440 10.440 8.047 2.393 19274 3239 1 8 . 1 1 63 63 TYR N N 63 121.250 121.250 119.004 2.246 19274 3240 1 8 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.403 -0.153 19274 3241 1 8 . 1 1 63 63 TYR C C 63 173.900 173.900 174.680 -0.780 19274 3242 1 8 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.334 -0.063 19274 3243 1 8 . 1 1 63 63 TYR CB C 63 42.760 42.760 42.214 0.546 19274 3244 1 8 . 1 1 63 63 TYR H H 63 8.180 8.180 7.895 0.285 19274 3245 1 8 . 1 1 64 64 VAL N N 64 115.490 115.490 121.656 -6.166 19274 3246 1 8 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.414 0.066 19274 3247 1 8 . 1 1 64 64 VAL C C 64 174.240 174.240 173.901 0.339 19274 3248 1 8 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.860 0.321 19274 3249 1 8 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.542 1.048 19274 3250 1 8 . 1 1 64 64 VAL H H 64 8.930 8.930 8.935 -0.005 19274 3251 1 8 . 1 1 65 65 GLN N N 65 128.370 128.370 129.000 -0.630 19274 3252 1 8 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.407 0.023 19274 3253 1 8 . 1 1 65 65 GLN C C 65 177.110 177.110 176.604 0.506 19274 3254 1 8 . 1 1 65 65 GLN CA C 65 55.171 55.171 54.828 0.343 19274 3255 1 8 . 1 1 65 65 GLN CB C 65 27.790 27.790 26.431 1.359 19274 3256 1 8 . 1 1 65 65 GLN H H 65 8.870 8.870 8.953 -0.083 19274 3257 1 8 . 1 1 66 66 TYR N N 66 124.870 124.870 122.423 2.447 19274 3258 1 8 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.890 0.120 19274 3259 1 8 . 1 1 66 66 TYR C C 66 176.650 176.650 176.840 -0.190 19274 3260 1 8 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.654 -0.373 19274 3261 1 8 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.997 0.513 19274 3262 1 8 . 1 1 66 66 TYR H H 66 7.490 7.490 7.967 -0.477 19274 3263 1 8 . 1 1 67 67 GLU N N 67 125.080 125.080 119.360 5.720 19274 3264 1 8 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.937 0.013 19274 3265 1 8 . 1 1 67 67 GLU C C 67 179.630 179.630 178.554 1.076 19274 3266 1 8 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.436 1.305 19274 3267 1 8 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.011 -0.101 19274 3268 1 8 . 1 1 67 67 GLU H H 67 9.010 9.010 8.238 0.772 19274 3269 1 8 . 1 1 68 68 THR N N 68 114.620 114.620 113.859 0.761 19274 3270 1 8 . 1 1 68 68 THR HA H 68 4.000 4.000 4.112 -0.112 19274 3271 1 8 . 1 1 68 68 THR C C 68 176.510 176.510 176.075 0.435 19274 3272 1 8 . 1 1 68 68 THR CA C 68 64.921 64.921 64.649 0.272 19274 3273 1 8 . 1 1 68 68 THR CB C 68 68.451 68.451 68.687 -0.236 19274 3274 1 8 . 1 1 68 68 THR H H 68 7.550 7.550 7.835 -0.285 19274 3275 1 8 . 1 1 69 69 PHE N N 69 122.710 122.710 121.733 0.977 19274 3276 1 8 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.315 -0.185 19274 3277 1 8 . 1 1 69 69 PHE C C 69 177.160 177.160 176.454 0.706 19274 3278 1 8 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.782 1.009 19274 3279 1 8 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.472 0.598 19274 3280 1 8 . 1 1 69 69 PHE H H 69 7.740 7.740 7.465 0.275 19274 3281 1 8 . 1 1 70 70 VAL N N 70 116.340 116.340 118.478 -2.138 19274 3282 1 8 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.377 0.313 19274 3283 1 8 . 1 1 70 70 VAL C C 70 178.010 178.010 178.144 -0.134 19274 3284 1 8 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.046 0.345 19274 3285 1 8 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.154 0.466 19274 3286 1 8 . 1 1 70 70 VAL H H 70 8.600 8.600 8.412 0.188 19274 3287 1 8 . 1 1 71 71 GLY N N 71 105.990 105.990 107.895 -1.905 19274 3288 1 8 . 1 1 71 71 GLY C C 71 174.980 174.980 175.414 -0.434 19274 3289 1 8 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.180 -0.430 19274 3290 1 8 . 1 1 71 71 GLY H H 71 7.690 7.690 7.790 -0.100 19274 3291 1 8 . 1 1 72 72 MET N N 72 117.740 117.740 119.960 -2.220 19274 3292 1 8 . 1 1 72 72 MET HA H 72 4.260 4.260 4.370 -0.110 19274 3293 1 8 . 1 1 72 72 MET C C 72 176.400 176.400 178.297 -1.897 19274 3294 1 8 . 1 1 72 72 MET CA C 72 56.611 56.611 56.501 0.110 19274 3295 1 8 . 1 1 72 72 MET CB C 72 33.000 33.000 32.545 0.455 19274 3296 1 8 . 1 1 72 72 MET H H 72 7.450 7.450 7.476 -0.026 19274 3297 1 8 . 1 1 73 73 LEU N N 73 118.370 118.370 115.496 2.874 19274 3298 1 8 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.434 0.586 19274 3299 1 8 . 1 1 73 73 LEU C C 73 176.700 176.700 176.902 -0.202 19274 3300 1 8 . 1 1 73 73 LEU CA C 73 55.521 55.521 55.772 -0.251 19274 3301 1 8 . 1 1 73 73 LEU CB C 73 43.100 43.100 39.560 3.540 19274 3302 1 8 . 1 1 73 73 LEU H H 73 7.380 7.380 7.318 0.062 19274 3303 1 8 . 1 1 74 74 PHE N N 74 117.280 117.280 117.465 -0.185 19274 3304 1 8 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.438 0.052 19274 3305 1 8 . 1 1 74 74 PHE C C 74 175.380 175.380 176.466 -1.086 19274 3306 1 8 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.372 -1.991 19274 3307 1 8 . 1 1 74 74 PHE CB C 74 38.410 38.410 39.937 -1.527 19274 3308 1 8 . 1 1 74 74 PHE H H 74 7.830 7.830 7.485 0.345 19274 3309 1 8 . 1 1 75 75 LEU N N 75 120.310 120.310 119.622 0.688 19274 3310 1 8 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.230 -0.080 19274 3311 1 8 . 1 1 75 75 LEU C C 75 176.640 176.640 178.089 -1.449 19274 3312 1 8 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.891 -0.440 19274 3313 1 8 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.180 0.610 19274 3314 1 8 . 1 1 75 75 LEU H H 75 7.270 7.270 7.360 -0.090 19274 3315 1 8 . 1 1 76 76 TRP N N 76 119.350 119.350 119.267 0.083 19274 3316 1 8 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.486 0.324 19274 3317 1 8 . 1 1 76 76 TRP C C 76 175.050 175.050 176.716 -1.666 19274 3318 1 8 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.392 -0.311 19274 3319 1 8 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.422 1.278 19274 3320 1 8 . 1 1 76 76 TRP H H 76 7.870 7.870 7.566 0.304 19274 3321 1 9 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.287 -1.217 19274 3322 1 9 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.358 1.402 19274 3323 1 9 . 1 1 4 4 MET N N 4 120.140 120.140 121.598 -1.458 19274 3324 1 9 . 1 1 4 4 MET HA H 4 4.390 4.390 4.218 0.172 19274 3325 1 9 . 1 1 4 4 MET CA C 4 55.160 55.160 55.111 0.049 19274 3326 1 9 . 1 1 4 4 MET CB C 4 32.400 32.400 31.251 1.149 19274 3327 1 9 . 1 1 4 4 MET H H 4 8.380 8.380 8.171 0.209 19274 3328 1 9 . 1 1 5 5 ASN N N 5 119.370 119.370 122.787 -3.417 19274 3329 1 9 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.599 1.071 19274 3330 1 9 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.180 0.510 19274 3331 1 9 . 1 1 5 5 ASN H H 5 8.360 8.360 7.968 0.392 19274 3332 1 9 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.549 0.151 19274 3333 1 9 . 1 1 6 6 HIS C C 6 174.900 174.900 175.555 -0.655 19274 3334 1 9 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.526 -0.426 19274 3335 1 9 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.677 0.243 19274 3336 1 9 . 1 1 7 7 ILE N N 7 121.430 121.430 124.494 -3.064 19274 3337 1 9 . 1 1 7 7 ILE HA H 7 4.080 4.080 3.858 0.222 19274 3338 1 9 . 1 1 7 7 ILE C C 7 175.940 175.940 176.364 -0.424 19274 3339 1 9 . 1 1 7 7 ILE CA C 7 61.711 61.711 62.252 -0.541 19274 3340 1 9 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.249 0.311 19274 3341 1 9 . 1 1 7 7 ILE H H 7 8.090 8.090 8.481 -0.391 19274 3342 1 9 . 1 1 8 8 ASN N N 8 121.280 121.280 112.973 8.307 19274 3343 1 9 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.474 0.406 19274 3344 1 9 . 1 1 8 8 ASN C C 8 175.360 175.360 174.930 0.430 19274 3345 1 9 . 1 1 8 8 ASN CA C 8 53.630 53.630 54.452 -0.821 19274 3346 1 9 . 1 1 8 8 ASN CB C 8 39.590 39.590 37.408 2.182 19274 3347 1 9 . 1 1 8 8 ASN H H 8 8.520 8.520 8.623 -0.103 19274 3348 1 9 . 1 1 9 9 THR N N 9 112.710 112.710 114.676 -1.966 19274 3349 1 9 . 1 1 9 9 THR HA H 9 4.370 4.370 4.389 -0.019 19274 3350 1 9 . 1 1 9 9 THR C C 9 174.690 174.690 175.747 -1.057 19274 3351 1 9 . 1 1 9 9 THR CA C 9 62.100 62.100 61.486 0.614 19274 3352 1 9 . 1 1 9 9 THR CB C 9 71.021 71.021 70.391 0.630 19274 3353 1 9 . 1 1 9 9 THR H H 9 8.020 8.020 7.548 0.472 19274 3354 1 9 . 1 1 10 10 LYS N N 10 122.130 122.130 125.436 -3.306 19274 3355 1 9 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.529 -0.269 19274 3356 1 9 . 1 1 10 10 LYS C C 10 177.710 177.710 177.402 0.308 19274 3357 1 9 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.541 1.659 19274 3358 1 9 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.300 0.770 19274 3359 1 9 . 1 1 10 10 LYS H H 10 8.390 8.390 8.706 -0.316 19274 3360 1 9 . 1 1 11 11 ALA N N 11 118.760 118.760 122.027 -3.267 19274 3361 1 9 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.060 -0.020 19274 3362 1 9 . 1 1 11 11 ALA C C 11 180.540 180.540 179.679 0.861 19274 3363 1 9 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.829 0.162 19274 3364 1 9 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.202 -0.152 19274 3365 1 9 . 1 1 11 11 ALA H H 11 8.120 8.120 7.693 0.427 19274 3366 1 9 . 1 1 12 12 GLN N N 12 116.840 116.840 117.987 -1.147 19274 3367 1 9 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.187 -0.147 19274 3368 1 9 . 1 1 12 12 GLN C C 12 178.940 178.940 178.469 0.471 19274 3369 1 9 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.614 -0.053 19274 3370 1 9 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.776 0.344 19274 3371 1 9 . 1 1 12 12 GLN H H 12 7.700 7.700 7.557 0.143 19274 3372 1 9 . 1 1 13 13 VAL N N 13 121.610 121.610 120.035 1.575 19274 3373 1 9 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.668 -0.208 19274 3374 1 9 . 1 1 13 13 VAL C C 13 176.920 176.920 177.500 -0.580 19274 3375 1 9 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.307 1.184 19274 3376 1 9 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.747 -0.437 19274 3377 1 9 . 1 1 13 13 VAL H H 13 7.990 7.990 7.256 0.734 19274 3378 1 9 . 1 1 14 14 ILE N N 14 118.850 118.850 120.141 -1.291 19274 3379 1 9 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.875 -0.075 19274 3380 1 9 . 1 1 14 14 ILE C C 14 178.130 178.130 178.105 0.025 19274 3381 1 9 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.396 0.014 19274 3382 1 9 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.950 -0.780 19274 3383 1 9 . 1 1 14 14 ILE H H 14 8.220 8.220 7.477 0.743 19274 3384 1 9 . 1 1 15 15 GLU N N 15 118.090 118.090 119.261 -1.171 19274 3385 1 9 . 1 1 15 15 GLU HA H 15 3.960 3.960 3.979 -0.019 19274 3386 1 9 . 1 1 15 15 GLU C C 15 178.310 178.310 178.773 -0.463 19274 3387 1 9 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.506 -0.166 19274 3388 1 9 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.297 -0.037 19274 3389 1 9 . 1 1 15 15 GLU H H 15 7.940 7.940 8.233 -0.293 19274 3390 1 9 . 1 1 16 16 ALA N N 16 120.860 120.860 121.855 -0.995 19274 3391 1 9 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.120 0.010 19274 3392 1 9 . 1 1 16 16 ALA C C 16 180.840 180.840 179.732 1.108 19274 3393 1 9 . 1 1 16 16 ALA CA C 16 54.801 54.801 55.076 -0.275 19274 3394 1 9 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.153 -0.363 19274 3395 1 9 . 1 1 16 16 ALA H H 16 7.560 7.560 7.845 -0.285 19274 3396 1 9 . 1 1 17 17 PHE N N 17 116.830 116.830 117.118 -0.288 19274 3397 1 9 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.161 0.229 19274 3398 1 9 . 1 1 17 17 PHE C C 17 177.550 177.550 177.522 0.028 19274 3399 1 9 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.721 -1.790 19274 3400 1 9 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.157 -0.267 19274 3401 1 9 . 1 1 17 17 PHE H H 17 7.730 7.730 7.490 0.240 19274 3402 1 9 . 1 1 18 18 LYS N N 18 119.360 119.360 119.213 0.147 19274 3403 1 9 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.136 -0.166 19274 3404 1 9 . 1 1 18 18 LYS C C 18 178.860 178.860 178.065 0.795 19274 3405 1 9 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.225 0.406 19274 3406 1 9 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.449 0.011 19274 3407 1 9 . 1 1 18 18 LYS H H 18 8.290 8.290 7.402 0.888 19274 3408 1 9 . 1 1 19 19 VAL N N 19 116.479 116.479 117.709 -1.230 19274 3409 1 9 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.722 -0.072 19274 3410 1 9 . 1 1 19 19 VAL C C 19 177.020 177.020 176.806 0.214 19274 3411 1 9 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.015 0.036 19274 3412 1 9 . 1 1 19 19 VAL CB C 19 31.990 31.990 32.005 -0.015 19274 3413 1 9 . 1 1 19 19 VAL H H 19 7.400 7.400 7.792 -0.392 19274 3414 1 9 . 1 1 20 20 PHE N N 20 118.120 118.120 118.735 -0.615 19274 3415 1 9 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.086 0.244 19274 3416 1 9 . 1 1 20 20 PHE C C 20 175.750 175.750 175.808 -0.058 19274 3417 1 9 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.438 -0.647 19274 3418 1 9 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.414 0.566 19274 3419 1 9 . 1 1 20 20 PHE H H 20 7.260 7.260 7.240 0.020 19274 3420 1 9 . 1 1 21 21 ASP N N 21 120.640 120.640 118.882 1.758 19274 3421 1 9 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.403 0.727 19274 3422 1 9 . 1 1 21 21 ASP C C 21 176.520 176.520 176.293 0.227 19274 3423 1 9 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.795 -1.255 19274 3424 1 9 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.138 -0.158 19274 3425 1 9 . 1 1 21 21 ASP H H 21 7.910 7.910 8.101 -0.191 19274 3426 1 9 . 1 1 22 22 ARG N N 22 124.740 124.740 123.243 1.497 19274 3427 1 9 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.295 -0.165 19274 3428 1 9 . 1 1 22 22 ARG C C 22 177.980 177.980 176.502 1.478 19274 3429 1 9 . 1 1 22 22 ARG CA C 22 58.431 58.431 56.513 1.918 19274 3430 1 9 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.162 0.228 19274 3431 1 9 . 1 1 22 22 ARG H H 22 8.120 8.120 7.713 0.407 19274 3432 1 9 . 1 1 23 23 ASP N N 23 116.400 116.400 119.815 -3.415 19274 3433 1 9 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.563 0.187 19274 3434 1 9 . 1 1 23 23 ASP C C 23 176.750 176.750 176.272 0.478 19274 3435 1 9 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.456 0.265 19274 3436 1 9 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.897 0.323 19274 3437 1 9 . 1 1 23 23 ASP H H 23 8.670 8.670 7.732 0.938 19274 3438 1 9 . 1 1 24 24 GLY N N 24 110.310 110.310 106.984 3.326 19274 3439 1 9 . 1 1 24 24 GLY C C 24 175.410 175.410 174.628 0.782 19274 3440 1 9 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.405 1.659 19274 3441 1 9 . 1 1 24 24 GLY H H 24 8.000 8.000 8.527 -0.527 19274 3442 1 9 . 1 1 25 25 ASN N N 25 118.870 118.870 118.868 0.002 19274 3443 1 9 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.595 0.265 19274 3444 1 9 . 1 1 25 25 ASN C C 25 176.610 176.610 176.186 0.424 19274 3445 1 9 . 1 1 25 25 ASN CA C 25 53.150 53.150 52.932 0.218 19274 3446 1 9 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.525 0.905 19274 3447 1 9 . 1 1 25 25 ASN H H 25 9.250 9.250 8.319 0.931 19274 3448 1 9 . 1 1 26 26 GLY N N 26 110.130 110.130 109.058 1.072 19274 3449 1 9 . 1 1 26 26 GLY C C 26 173.300 173.300 173.647 -0.347 19274 3450 1 9 . 1 1 26 26 GLY CA C 26 45.590 45.590 46.163 -0.574 19274 3451 1 9 . 1 1 26 26 GLY H H 26 10.110 10.110 8.541 1.569 19274 3452 1 9 . 1 1 27 27 TYR N N 27 118.030 118.030 119.313 -1.283 19274 3453 1 9 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.724 -0.074 19274 3454 1 9 . 1 1 27 27 TYR C C 27 176.130 176.130 173.888 2.242 19274 3455 1 9 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.000 1.291 19274 3456 1 9 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.616 0.874 19274 3457 1 9 . 1 1 27 27 TYR H H 27 8.010 8.010 7.382 0.628 19274 3458 1 9 . 1 1 28 28 VAL N N 28 111.260 111.260 119.082 -7.822 19274 3459 1 9 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.691 0.449 19274 3460 1 9 . 1 1 28 28 VAL C C 28 175.330 175.330 176.241 -0.911 19274 3461 1 9 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.601 -1.510 19274 3462 1 9 . 1 1 28 28 VAL CB C 28 36.340 36.340 36.190 0.150 19274 3463 1 9 . 1 1 28 28 VAL H H 28 8.810 8.810 8.949 -0.139 19274 3464 1 9 . 1 1 29 29 THR N N 29 111.560 111.560 114.800 -3.240 19274 3465 1 9 . 1 1 29 29 THR HA H 29 4.680 4.680 4.706 -0.026 19274 3466 1 9 . 1 1 29 29 THR C C 29 176.260 176.260 175.803 0.457 19274 3467 1 9 . 1 1 29 29 THR CA C 29 60.761 60.761 61.712 -0.952 19274 3468 1 9 . 1 1 29 29 THR CB C 29 69.981 69.981 69.835 0.146 19274 3469 1 9 . 1 1 29 29 THR H H 29 7.450 7.450 8.339 -0.889 19274 3470 1 9 . 1 1 30 30 VAL N N 30 119.990 119.990 120.509 -0.519 19274 3471 1 9 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.803 -0.243 19274 3472 1 9 . 1 1 30 30 VAL C C 30 177.080 177.080 176.671 0.409 19274 3473 1 9 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.861 1.080 19274 3474 1 9 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.675 -0.275 19274 3475 1 9 . 1 1 30 30 VAL H H 30 7.990 7.990 7.947 0.043 19274 3476 1 9 . 1 1 31 31 ASP N N 31 117.730 117.730 120.824 -3.094 19274 3477 1 9 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.304 0.016 19274 3478 1 9 . 1 1 31 31 ASP C C 31 178.650 178.650 177.725 0.925 19274 3479 1 9 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.413 -0.003 19274 3480 1 9 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.804 -0.094 19274 3481 1 9 . 1 1 31 31 ASP H H 31 8.060 8.060 8.483 -0.423 19274 3482 1 9 . 1 1 32 32 TYR N N 32 121.060 121.060 119.705 1.355 19274 3483 1 9 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.137 0.063 19274 3484 1 9 . 1 1 32 32 TYR C C 32 177.040 177.040 176.938 0.102 19274 3485 1 9 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.227 0.944 19274 3486 1 9 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.318 -0.478 19274 3487 1 9 . 1 1 32 32 TYR H H 32 7.760 7.760 7.481 0.279 19274 3488 1 9 . 1 1 33 33 LEU N N 33 120.480 120.480 121.262 -0.782 19274 3489 1 9 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.179 -0.229 19274 3490 1 9 . 1 1 33 33 LEU C C 33 178.060 178.060 178.737 -0.677 19274 3491 1 9 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.599 0.181 19274 3492 1 9 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.052 0.088 19274 3493 1 9 . 1 1 33 33 LEU H H 33 8.170 8.170 7.716 0.454 19274 3494 1 9 . 1 1 34 34 ARG N N 34 115.900 115.900 117.534 -1.634 19274 3495 1 9 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.954 -0.264 19274 3496 1 9 . 1 1 34 34 ARG C C 34 178.210 178.210 178.391 -0.181 19274 3497 1 9 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.566 0.816 19274 3498 1 9 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.044 0.286 19274 3499 1 9 . 1 1 34 34 ARG H H 34 8.260 8.260 7.966 0.294 19274 3500 1 9 . 1 1 35 35 LYS N N 35 119.800 119.800 119.976 -0.176 19274 3501 1 9 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.899 0.061 19274 3502 1 9 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.555 0.296 19274 3503 1 9 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.069 0.541 19274 3504 1 9 . 1 1 35 35 LYS H H 35 7.460 7.460 7.260 0.200 19274 3505 1 9 . 1 1 36 36 VAL N N 36 119.380 119.380 118.190 1.190 19274 3506 1 9 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.647 -0.147 19274 3507 1 9 . 1 1 36 36 VAL C C 36 178.790 178.790 177.106 1.684 19274 3508 1 9 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.653 1.538 19274 3509 1 9 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.200 0.620 19274 3510 1 9 . 1 1 36 36 VAL H H 36 8.020 8.020 7.272 0.748 19274 3511 1 9 . 1 1 37 37 LEU N N 37 116.970 116.970 118.751 -1.781 19274 3512 1 9 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.172 -0.112 19274 3513 1 9 . 1 1 37 37 LEU C C 37 179.560 179.560 178.011 1.549 19274 3514 1 9 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.504 1.487 19274 3515 1 9 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.269 -0.259 19274 3516 1 9 . 1 1 37 37 LEU H H 37 8.250 8.250 7.429 0.821 19274 3517 1 9 . 1 1 38 38 ASN N N 38 116.710 116.710 118.188 -1.478 19274 3518 1 9 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.440 0.140 19274 3519 1 9 . 1 1 38 38 ASN C C 38 177.520 177.520 176.638 0.882 19274 3520 1 9 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.056 -0.106 19274 3521 1 9 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.285 -0.195 19274 3522 1 9 . 1 1 38 38 ASN H H 38 8.120 8.120 8.074 0.046 19274 3523 1 9 . 1 1 39 39 GLU N N 39 118.700 118.700 118.902 -0.202 19274 3524 1 9 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.154 0.096 19274 3525 1 9 . 1 1 39 39 GLU C C 39 177.680 177.680 178.541 -0.861 19274 3526 1 9 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.382 -0.581 19274 3527 1 9 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.523 0.047 19274 3528 1 9 . 1 1 39 39 GLU H H 39 7.800 7.800 7.519 0.281 19274 3529 1 9 . 1 1 40 40 LEU N N 40 118.760 118.760 118.649 0.111 19274 3530 1 9 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.358 0.012 19274 3531 1 9 . 1 1 40 40 LEU C C 40 177.940 177.940 178.449 -0.509 19274 3532 1 9 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.493 0.258 19274 3533 1 9 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.434 -0.304 19274 3534 1 9 . 1 1 40 40 LEU H H 40 7.710 7.710 7.562 0.148 19274 3535 1 9 . 1 1 41 41 GLY N N 41 106.700 106.700 106.453 0.247 19274 3536 1 9 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.560 1.540 19274 3537 1 9 . 1 1 41 41 GLY H H 41 7.780 7.780 7.632 0.148 19274 3538 1 9 . 1 1 42 42 ASP N N 42 120.920 120.920 124.599 -3.679 19274 3539 1 9 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.507 0.053 19274 3540 1 9 . 1 1 42 42 ASP C C 42 176.280 176.280 177.600 -1.320 19274 3541 1 9 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.080 -1.189 19274 3542 1 9 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.865 -1.455 19274 3543 1 9 . 1 1 42 42 ASP H H 42 8.440 8.440 7.855 0.585 19274 3544 1 9 . 1 1 43 43 MET N N 43 118.550 118.550 117.643 0.907 19274 3545 1 9 . 1 1 43 43 MET HA H 43 4.380 4.380 4.480 -0.100 19274 3546 1 9 . 1 1 43 43 MET C C 43 175.810 175.810 176.156 -0.346 19274 3547 1 9 . 1 1 43 43 MET CA C 43 56.801 56.801 56.294 0.507 19274 3548 1 9 . 1 1 43 43 MET CB C 43 33.140 33.140 32.541 0.599 19274 3549 1 9 . 1 1 43 43 MET H H 43 8.180 8.180 8.200 -0.020 19274 3550 1 9 . 1 1 44 44 MET N N 44 119.050 119.050 121.589 -2.539 19274 3551 1 9 . 1 1 44 44 MET HA H 44 4.870 4.870 4.846 0.024 19274 3552 1 9 . 1 1 44 44 MET CA C 44 53.170 53.170 51.584 1.586 19274 3553 1 9 . 1 1 44 44 MET CB C 44 33.870 33.870 31.756 2.114 19274 3554 1 9 . 1 1 44 44 MET H H 44 7.920 7.920 7.630 0.290 19274 3555 1 9 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.485 0.045 19274 3556 1 9 . 1 1 45 45 PRO C C 45 177.450 177.450 176.814 0.636 19274 3557 1 9 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.886 -0.135 19274 3558 1 9 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.149 0.191 19274 3559 1 9 . 1 1 46 46 ALA N N 46 126.480 126.480 128.465 -1.985 19274 3560 1 9 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.091 -0.001 19274 3561 1 9 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.117 1.415 19274 3562 1 9 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.500 0.370 19274 3563 1 9 . 1 1 46 46 ALA H H 46 8.660 8.660 8.755 -0.095 19274 3564 1 9 . 1 1 47 47 ASP N N 47 115.320 115.320 119.052 -3.732 19274 3565 1 9 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.286 0.114 19274 3566 1 9 . 1 1 47 47 ASP C C 47 179.710 179.710 178.614 1.096 19274 3567 1 9 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.256 -1.555 19274 3568 1 9 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.351 -0.661 19274 3569 1 9 . 1 1 47 47 ASP H H 47 8.840 8.840 8.730 0.110 19274 3570 1 9 . 1 1 48 48 GLU N N 48 120.590 120.590 119.087 1.503 19274 3571 1 9 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.021 0.249 19274 3572 1 9 . 1 1 48 48 GLU C C 48 178.700 178.700 178.874 -0.174 19274 3573 1 9 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.450 -0.930 19274 3574 1 9 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.263 0.637 19274 3575 1 9 . 1 1 48 48 GLU H H 48 7.580 7.580 7.797 -0.217 19274 3576 1 9 . 1 1 49 49 ILE N N 49 119.990 119.990 119.991 -0.001 19274 3577 1 9 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.004 -0.224 19274 3578 1 9 . 1 1 49 49 ILE C C 49 177.640 177.640 178.585 -0.945 19274 3579 1 9 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.393 -0.262 19274 3580 1 9 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.932 -0.232 19274 3581 1 9 . 1 1 49 49 ILE H H 49 7.690 7.690 7.917 -0.227 19274 3582 1 9 . 1 1 50 50 GLU N N 50 117.290 117.290 119.376 -2.086 19274 3583 1 9 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.205 -0.235 19274 3584 1 9 . 1 1 50 50 GLU C C 50 179.400 179.400 179.566 -0.166 19274 3585 1 9 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.607 -0.426 19274 3586 1 9 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.018 -0.368 19274 3587 1 9 . 1 1 50 50 GLU H H 50 8.040 8.040 8.245 -0.205 19274 3588 1 9 . 1 1 51 51 GLU N N 51 119.160 119.160 119.630 -0.470 19274 3589 1 9 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.126 0.094 19274 3590 1 9 . 1 1 51 51 GLU C C 51 179.810 179.810 179.434 0.376 19274 3591 1 9 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.865 0.586 19274 3592 1 9 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.188 0.122 19274 3593 1 9 . 1 1 51 51 GLU H H 51 7.750 7.750 8.047 -0.297 19274 3594 1 9 . 1 1 52 52 MET N N 52 118.780 118.780 117.563 1.217 19274 3595 1 9 . 1 1 52 52 MET HA H 52 4.200 4.200 4.419 -0.219 19274 3596 1 9 . 1 1 52 52 MET CA C 52 59.191 59.191 57.070 2.121 19274 3597 1 9 . 1 1 52 52 MET CB C 52 33.580 33.580 32.232 1.348 19274 3598 1 9 . 1 1 52 52 MET H H 52 7.998 7.998 8.121 -0.123 19274 3599 1 9 . 1 1 53 53 ILE N N 53 120.910 120.910 120.557 0.353 19274 3600 1 9 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.217 0.313 19274 3601 1 9 . 1 1 53 53 ILE C C 53 177.086 177.086 177.971 -0.885 19274 3602 1 9 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.376 1.293 19274 3603 1 9 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.784 -0.104 19274 3604 1 9 . 1 1 53 53 ILE H H 53 8.420 8.420 8.252 0.168 19274 3605 1 9 . 1 1 54 54 TYR N N 54 119.030 119.030 117.596 1.434 19274 3606 1 9 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.538 -0.238 19274 3607 1 9 . 1 1 54 54 TYR C C 54 177.910 177.910 177.823 0.087 19274 3608 1 9 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.863 0.908 19274 3609 1 9 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.533 0.017 19274 3610 1 9 . 1 1 54 54 TYR H H 54 7.850 7.850 8.253 -0.403 19274 3611 1 9 . 1 1 55 55 GLU N N 55 115.700 115.700 118.844 -3.144 19274 3612 1 9 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.316 -0.416 19274 3613 1 9 . 1 1 55 55 GLU C C 55 178.280 178.280 177.131 1.149 19274 3614 1 9 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.366 1.025 19274 3615 1 9 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.780 -0.270 19274 3616 1 9 . 1 1 55 55 GLU H H 55 7.850 7.850 7.845 0.005 19274 3617 1 9 . 1 1 56 56 ALA N N 56 119.710 119.710 121.600 -1.890 19274 3618 1 9 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.250 0.140 19274 3619 1 9 . 1 1 56 56 ALA C C 56 177.670 177.670 176.345 1.325 19274 3620 1 9 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.214 -0.044 19274 3621 1 9 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.794 0.196 19274 3622 1 9 . 1 1 56 56 ALA H H 56 8.009 8.009 7.664 0.345 19274 3623 1 9 . 1 1 57 57 ASP N N 57 117.020 117.020 116.863 0.157 19274 3624 1 9 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.033 0.307 19274 3625 1 9 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.469 0.841 19274 3626 1 9 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.616 -0.746 19274 3627 1 9 . 1 1 57 57 ASP H H 57 8.020 8.020 7.935 0.085 19274 3628 1 9 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.782 -0.472 19274 3629 1 9 . 1 1 58 58 PRO C C 58 178.470 178.470 177.531 0.939 19274 3630 1 9 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.058 1.273 19274 3631 1 9 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.235 -0.605 19274 3632 1 9 . 1 1 59 59 GLN N N 59 115.810 115.810 117.576 -1.766 19274 3633 1 9 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.240 0.270 19274 3634 1 9 . 1 1 59 59 GLN C C 59 176.290 176.290 175.964 0.326 19274 3635 1 9 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.224 -0.343 19274 3636 1 9 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.754 -1.174 19274 3637 1 9 . 1 1 59 59 GLN H H 59 8.750 8.750 8.177 0.573 19274 3638 1 9 . 1 1 60 60 ASN N N 60 118.250 118.250 117.436 0.814 19274 3639 1 9 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.474 -0.074 19274 3640 1 9 . 1 1 60 60 ASN C C 60 175.330 175.330 174.638 0.692 19274 3641 1 9 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.623 0.788 19274 3642 1 9 . 1 1 60 60 ASN CB C 60 36.770 36.770 36.852 -0.082 19274 3643 1 9 . 1 1 60 60 ASN H H 60 8.350 8.350 7.894 0.456 19274 3644 1 9 . 1 1 61 61 SER N N 61 118.650 118.650 115.751 2.899 19274 3645 1 9 . 1 1 61 61 SER HA H 61 4.300 4.300 4.474 -0.174 19274 3646 1 9 . 1 1 61 61 SER C C 61 176.810 176.810 174.893 1.917 19274 3647 1 9 . 1 1 61 61 SER CA C 61 60.881 60.881 58.645 2.236 19274 3648 1 9 . 1 1 61 61 SER CB C 61 65.031 65.031 64.180 0.851 19274 3649 1 9 . 1 1 61 61 SER H H 61 9.990 9.990 8.155 1.835 19274 3650 1 9 . 1 1 62 62 GLY N N 62 112.630 112.630 109.613 3.017 19274 3651 1 9 . 1 1 62 62 GLY C C 62 173.960 173.960 173.201 0.759 19274 3652 1 9 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.471 -0.141 19274 3653 1 9 . 1 1 62 62 GLY H H 62 10.440 10.440 8.114 2.326 19274 3654 1 9 . 1 1 63 63 TYR N N 63 121.250 121.250 119.844 1.406 19274 3655 1 9 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.125 0.125 19274 3656 1 9 . 1 1 63 63 TYR C C 63 173.900 173.900 173.755 0.145 19274 3657 1 9 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.106 1.165 19274 3658 1 9 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.064 3.696 19274 3659 1 9 . 1 1 63 63 TYR H H 63 8.180 8.180 7.499 0.681 19274 3660 1 9 . 1 1 64 64 VAL N N 64 115.490 115.490 121.631 -6.141 19274 3661 1 9 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.397 0.083 19274 3662 1 9 . 1 1 64 64 VAL C C 64 174.240 174.240 174.470 -0.230 19274 3663 1 9 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.596 0.585 19274 3664 1 9 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.444 1.146 19274 3665 1 9 . 1 1 64 64 VAL H H 64 8.930 8.930 8.145 0.785 19274 3666 1 9 . 1 1 65 65 GLN N N 65 128.370 128.370 129.376 -1.006 19274 3667 1 9 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.301 0.130 19274 3668 1 9 . 1 1 65 65 GLN C C 65 177.110 177.110 176.556 0.554 19274 3669 1 9 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.370 -0.199 19274 3670 1 9 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.770 0.020 19274 3671 1 9 . 1 1 65 65 GLN H H 65 8.870 8.870 8.510 0.360 19274 3672 1 9 . 1 1 66 66 TYR N N 66 124.870 124.870 124.708 0.162 19274 3673 1 9 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.924 0.086 19274 3674 1 9 . 1 1 66 66 TYR C C 66 176.650 176.650 177.273 -0.623 19274 3675 1 9 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.814 -0.533 19274 3676 1 9 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.956 0.554 19274 3677 1 9 . 1 1 66 66 TYR H H 66 7.490 7.490 8.369 -0.879 19274 3678 1 9 . 1 1 67 67 GLU N N 67 125.080 125.080 118.595 6.485 19274 3679 1 9 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.874 0.076 19274 3680 1 9 . 1 1 67 67 GLU C C 67 179.630 179.630 178.187 1.443 19274 3681 1 9 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.532 1.209 19274 3682 1 9 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.905 0.005 19274 3683 1 9 . 1 1 67 67 GLU H H 67 9.010 9.010 8.058 0.952 19274 3684 1 9 . 1 1 68 68 THR N N 68 114.620 114.620 115.601 -0.981 19274 3685 1 9 . 1 1 68 68 THR HA H 68 4.000 4.000 3.988 0.012 19274 3686 1 9 . 1 1 68 68 THR C C 68 176.510 176.510 176.364 0.146 19274 3687 1 9 . 1 1 68 68 THR CA C 68 64.921 64.921 66.522 -1.601 19274 3688 1 9 . 1 1 68 68 THR CB C 68 68.451 68.451 68.520 -0.070 19274 3689 1 9 . 1 1 68 68 THR H H 68 7.550 7.550 7.298 0.252 19274 3690 1 9 . 1 1 69 69 PHE N N 69 122.710 122.710 122.732 -0.022 19274 3691 1 9 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.161 -0.031 19274 3692 1 9 . 1 1 69 69 PHE C C 69 177.160 177.160 176.701 0.459 19274 3693 1 9 . 1 1 69 69 PHE CA C 69 61.791 61.791 61.162 0.629 19274 3694 1 9 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.949 1.121 19274 3695 1 9 . 1 1 69 69 PHE H H 69 7.740 7.740 7.966 -0.226 19274 3696 1 9 . 1 1 70 70 VAL N N 70 116.340 116.340 117.526 -1.186 19274 3697 1 9 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.361 0.329 19274 3698 1 9 . 1 1 70 70 VAL C C 70 178.010 178.010 178.212 -0.202 19274 3699 1 9 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.178 0.213 19274 3700 1 9 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.208 0.412 19274 3701 1 9 . 1 1 70 70 VAL H H 70 8.600 8.600 8.448 0.152 19274 3702 1 9 . 1 1 71 71 GLY N N 71 105.990 105.990 107.981 -1.991 19274 3703 1 9 . 1 1 71 71 GLY C C 71 174.980 174.980 175.280 -0.300 19274 3704 1 9 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.075 -0.325 19274 3705 1 9 . 1 1 71 71 GLY H H 71 7.690 7.690 7.714 -0.024 19274 3706 1 9 . 1 1 72 72 MET N N 72 117.740 117.740 118.612 -0.872 19274 3707 1 9 . 1 1 72 72 MET HA H 72 4.260 4.260 4.293 -0.033 19274 3708 1 9 . 1 1 72 72 MET C C 72 176.400 176.400 177.098 -0.698 19274 3709 1 9 . 1 1 72 72 MET CA C 72 56.611 56.611 57.647 -1.036 19274 3710 1 9 . 1 1 72 72 MET CB C 72 33.000 33.000 32.944 0.056 19274 3711 1 9 . 1 1 72 72 MET H H 72 7.450 7.450 7.606 -0.156 19274 3712 1 9 . 1 1 73 73 LEU N N 73 118.370 118.370 116.598 1.772 19274 3713 1 9 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.851 1.169 19274 3714 1 9 . 1 1 73 73 LEU C C 73 176.700 176.700 177.525 -0.825 19274 3715 1 9 . 1 1 73 73 LEU CA C 73 55.521 55.521 55.884 -0.363 19274 3716 1 9 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.623 1.477 19274 3717 1 9 . 1 1 73 73 LEU H H 73 7.380 7.380 7.405 -0.025 19274 3718 1 9 . 1 1 74 74 PHE N N 74 117.280 117.280 117.210 0.070 19274 3719 1 9 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.289 0.201 19274 3720 1 9 . 1 1 74 74 PHE C C 74 175.380 175.380 175.557 -0.177 19274 3721 1 9 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.754 -2.373 19274 3722 1 9 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.608 -0.198 19274 3723 1 9 . 1 1 74 74 PHE H H 74 7.830 7.830 7.706 0.124 19274 3724 1 9 . 1 1 75 75 LEU N N 75 120.310 120.310 119.074 1.236 19274 3725 1 9 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.410 -0.260 19274 3726 1 9 . 1 1 75 75 LEU C C 75 176.640 176.640 177.015 -0.375 19274 3727 1 9 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.358 1.093 19274 3728 1 9 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.250 0.540 19274 3729 1 9 . 1 1 75 75 LEU H H 75 7.270 7.270 7.218 0.052 19274 3730 1 9 . 1 1 76 76 TRP N N 76 119.350 119.350 120.869 -1.519 19274 3731 1 9 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.614 0.196 19274 3732 1 9 . 1 1 76 76 TRP C C 76 175.050 175.050 176.373 -1.323 19274 3733 1 9 . 1 1 76 76 TRP CA C 76 57.081 57.081 55.433 1.648 19274 3734 1 9 . 1 1 76 76 TRP CB C 76 29.700 29.700 26.783 2.917 19274 3735 1 9 . 1 1 76 76 TRP H H 76 7.870 7.870 7.386 0.484 19274 3736 1 10 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.201 -1.131 19274 3737 1 10 . 1 1 3 3 HIS CB C 3 31.760 31.760 29.876 1.884 19274 3738 1 10 . 1 1 4 4 MET N N 4 120.140 120.140 125.655 -5.515 19274 3739 1 10 . 1 1 4 4 MET HA H 4 4.390 4.390 4.442 -0.052 19274 3740 1 10 . 1 1 4 4 MET CA C 4 55.160 55.160 55.003 0.157 19274 3741 1 10 . 1 1 4 4 MET CB C 4 32.400 32.400 31.367 1.033 19274 3742 1 10 . 1 1 4 4 MET H H 4 8.380 8.380 8.569 -0.189 19274 3743 1 10 . 1 1 5 5 ASN N N 5 119.370 119.370 116.281 3.089 19274 3744 1 10 . 1 1 5 5 ASN CA C 5 53.670 53.670 55.457 -1.787 19274 3745 1 10 . 1 1 5 5 ASN CB C 5 38.690 38.690 36.928 1.762 19274 3746 1 10 . 1 1 5 5 ASN H H 5 8.360 8.360 8.415 -0.055 19274 3747 1 10 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.644 0.056 19274 3748 1 10 . 1 1 6 6 HIS C C 6 174.900 174.900 174.393 0.507 19274 3749 1 10 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.848 0.252 19274 3750 1 10 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.028 0.892 19274 3751 1 10 . 1 1 7 7 ILE N N 7 121.430 121.430 126.054 -4.624 19274 3752 1 10 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.182 -0.102 19274 3753 1 10 . 1 1 7 7 ILE C C 7 175.940 175.940 175.026 0.914 19274 3754 1 10 . 1 1 7 7 ILE CA C 7 61.711 61.711 59.950 1.761 19274 3755 1 10 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.078 0.482 19274 3756 1 10 . 1 1 7 7 ILE H H 7 8.090 8.090 7.665 0.425 19274 3757 1 10 . 1 1 8 8 ASN N N 8 121.280 121.280 127.299 -6.019 19274 3758 1 10 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.852 0.028 19274 3759 1 10 . 1 1 8 8 ASN C C 8 175.360 175.360 174.326 1.034 19274 3760 1 10 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.995 0.635 19274 3761 1 10 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.309 1.281 19274 3762 1 10 . 1 1 8 8 ASN H H 8 8.520 8.520 8.598 -0.078 19274 3763 1 10 . 1 1 9 9 THR N N 9 112.710 112.710 118.379 -5.669 19274 3764 1 10 . 1 1 9 9 THR HA H 9 4.370 4.370 4.438 -0.068 19274 3765 1 10 . 1 1 9 9 THR C C 9 174.690 174.690 173.945 0.745 19274 3766 1 10 . 1 1 9 9 THR CA C 9 62.100 62.100 61.391 0.709 19274 3767 1 10 . 1 1 9 9 THR CB C 9 71.021 71.021 69.853 1.167 19274 3768 1 10 . 1 1 9 9 THR H H 9 8.020 8.020 8.009 0.011 19274 3769 1 10 . 1 1 10 10 LYS N N 10 122.130 122.130 122.692 -0.562 19274 3770 1 10 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.785 -0.525 19274 3771 1 10 . 1 1 10 10 LYS C C 10 177.710 177.710 177.265 0.445 19274 3772 1 10 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.881 2.319 19274 3773 1 10 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.749 0.321 19274 3774 1 10 . 1 1 10 10 LYS H H 10 8.390 8.390 8.576 -0.186 19274 3775 1 10 . 1 1 11 11 ALA N N 11 118.760 118.760 122.851 -4.091 19274 3776 1 10 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.933 0.107 19274 3777 1 10 . 1 1 11 11 ALA C C 11 180.540 180.540 179.226 1.314 19274 3778 1 10 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.453 -0.462 19274 3779 1 10 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.097 -0.047 19274 3780 1 10 . 1 1 11 11 ALA H H 11 8.120 8.120 7.776 0.344 19274 3781 1 10 . 1 1 12 12 GLN N N 12 116.840 116.840 116.573 0.267 19274 3782 1 10 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.178 -0.138 19274 3783 1 10 . 1 1 12 12 GLN C C 12 178.940 178.940 178.037 0.903 19274 3784 1 10 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.307 0.254 19274 3785 1 10 . 1 1 12 12 GLN CB C 12 29.120 29.120 27.886 1.234 19274 3786 1 10 . 1 1 12 12 GLN H H 12 7.700 7.700 8.350 -0.650 19274 3787 1 10 . 1 1 13 13 VAL N N 13 121.610 121.610 119.485 2.125 19274 3788 1 10 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.867 -0.407 19274 3789 1 10 . 1 1 13 13 VAL C C 13 176.920 176.920 177.281 -0.361 19274 3790 1 10 . 1 1 13 13 VAL CA C 13 66.491 66.491 63.999 2.492 19274 3791 1 10 . 1 1 13 13 VAL CB C 13 31.310 31.310 32.170 -0.860 19274 3792 1 10 . 1 1 13 13 VAL H H 13 7.990 7.990 7.281 0.709 19274 3793 1 10 . 1 1 14 14 ILE N N 14 118.850 118.850 120.764 -1.914 19274 3794 1 10 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.825 -0.025 19274 3795 1 10 . 1 1 14 14 ILE C C 14 178.130 178.130 178.007 0.123 19274 3796 1 10 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.598 -0.188 19274 3797 1 10 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.675 -0.505 19274 3798 1 10 . 1 1 14 14 ILE H H 14 8.220 8.220 7.454 0.766 19274 3799 1 10 . 1 1 15 15 GLU N N 15 118.090 118.090 119.463 -1.373 19274 3800 1 10 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.000 -0.040 19274 3801 1 10 . 1 1 15 15 GLU C C 15 178.310 178.310 178.729 -0.419 19274 3802 1 10 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.562 -0.222 19274 3803 1 10 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.299 -0.039 19274 3804 1 10 . 1 1 15 15 GLU H H 15 7.940 7.940 8.283 -0.343 19274 3805 1 10 . 1 1 16 16 ALA N N 16 120.860 120.860 122.423 -1.563 19274 3806 1 10 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.080 0.050 19274 3807 1 10 . 1 1 16 16 ALA C C 16 180.840 180.840 179.844 0.996 19274 3808 1 10 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.925 -0.124 19274 3809 1 10 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.087 -0.297 19274 3810 1 10 . 1 1 16 16 ALA H H 16 7.560 7.560 7.544 0.016 19274 3811 1 10 . 1 1 17 17 PHE N N 17 116.830 116.830 117.571 -0.741 19274 3812 1 10 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.083 0.307 19274 3813 1 10 . 1 1 17 17 PHE C C 17 177.550 177.550 177.509 0.041 19274 3814 1 10 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.962 -2.031 19274 3815 1 10 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.296 -0.406 19274 3816 1 10 . 1 1 17 17 PHE H H 17 7.730 7.730 7.710 0.020 19274 3817 1 10 . 1 1 18 18 LYS N N 18 119.360 119.360 118.264 1.096 19274 3818 1 10 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.066 -0.096 19274 3819 1 10 . 1 1 18 18 LYS C C 18 178.860 178.860 178.018 0.842 19274 3820 1 10 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.106 0.525 19274 3821 1 10 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.104 0.356 19274 3822 1 10 . 1 1 18 18 LYS H H 18 8.290 8.290 7.531 0.759 19274 3823 1 10 . 1 1 19 19 VAL N N 19 116.479 116.479 118.430 -1.951 19274 3824 1 10 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.816 -0.166 19274 3825 1 10 . 1 1 19 19 VAL C C 19 177.020 177.020 177.804 -0.784 19274 3826 1 10 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.420 -0.369 19274 3827 1 10 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.802 0.188 19274 3828 1 10 . 1 1 19 19 VAL H H 19 7.400 7.400 7.686 -0.286 19274 3829 1 10 . 1 1 20 20 PHE N N 20 118.120 118.120 120.627 -2.507 19274 3830 1 10 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.094 0.236 19274 3831 1 10 . 1 1 20 20 PHE C C 20 175.750 175.750 176.268 -0.518 19274 3832 1 10 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.771 -0.980 19274 3833 1 10 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.212 0.768 19274 3834 1 10 . 1 1 20 20 PHE H H 20 7.260 7.260 7.636 -0.376 19274 3835 1 10 . 1 1 21 21 ASP N N 21 120.640 120.640 119.292 1.348 19274 3836 1 10 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.364 0.766 19274 3837 1 10 . 1 1 21 21 ASP C C 21 176.520 176.520 176.530 -0.010 19274 3838 1 10 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.812 -1.272 19274 3839 1 10 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.880 0.100 19274 3840 1 10 . 1 1 21 21 ASP H H 21 7.910 7.910 7.926 -0.016 19274 3841 1 10 . 1 1 22 22 ARG N N 22 124.740 124.740 123.304 1.436 19274 3842 1 10 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.246 -0.116 19274 3843 1 10 . 1 1 22 22 ARG C C 22 177.980 177.980 177.197 0.783 19274 3844 1 10 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.226 1.205 19274 3845 1 10 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.339 0.051 19274 3846 1 10 . 1 1 22 22 ARG H H 22 8.120 8.120 7.805 0.315 19274 3847 1 10 . 1 1 23 23 ASP N N 23 116.400 116.400 118.826 -2.426 19274 3848 1 10 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.486 0.264 19274 3849 1 10 . 1 1 23 23 ASP C C 23 176.750 176.750 176.546 0.204 19274 3850 1 10 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.165 0.556 19274 3851 1 10 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.144 0.076 19274 3852 1 10 . 1 1 23 23 ASP H H 23 8.670 8.670 8.035 0.635 19274 3853 1 10 . 1 1 24 24 GLY N N 24 110.310 110.310 107.531 2.779 19274 3854 1 10 . 1 1 24 24 GLY C C 24 175.410 175.410 174.857 0.553 19274 3855 1 10 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.062 2.002 19274 3856 1 10 . 1 1 24 24 GLY H H 24 8.000 8.000 7.912 0.088 19274 3857 1 10 . 1 1 25 25 ASN N N 25 118.870 118.870 118.719 0.151 19274 3858 1 10 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.487 0.373 19274 3859 1 10 . 1 1 25 25 ASN C C 25 176.610 176.610 175.795 0.815 19274 3860 1 10 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.043 -0.893 19274 3861 1 10 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.219 0.211 19274 3862 1 10 . 1 1 25 25 ASN H H 25 9.250 9.250 8.535 0.715 19274 3863 1 10 . 1 1 26 26 GLY N N 26 110.130 110.130 107.283 2.847 19274 3864 1 10 . 1 1 26 26 GLY C C 26 173.300 173.300 172.902 0.398 19274 3865 1 10 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.838 -0.248 19274 3866 1 10 . 1 1 26 26 GLY H H 26 10.110 10.110 8.324 1.786 19274 3867 1 10 . 1 1 27 27 TYR N N 27 118.030 118.030 117.767 0.263 19274 3868 1 10 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.762 -0.112 19274 3869 1 10 . 1 1 27 27 TYR C C 27 176.130 176.130 173.842 2.288 19274 3870 1 10 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.579 1.712 19274 3871 1 10 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.434 1.056 19274 3872 1 10 . 1 1 27 27 TYR H H 27 8.010 8.010 7.059 0.951 19274 3873 1 10 . 1 1 28 28 VAL N N 28 111.260 111.260 116.760 -5.500 19274 3874 1 10 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.643 0.497 19274 3875 1 10 . 1 1 28 28 VAL C C 28 175.330 175.330 176.111 -0.781 19274 3876 1 10 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.490 -1.399 19274 3877 1 10 . 1 1 28 28 VAL CB C 28 36.340 36.340 36.471 -0.131 19274 3878 1 10 . 1 1 28 28 VAL H H 28 8.810 8.810 8.471 0.339 19274 3879 1 10 . 1 1 29 29 THR N N 29 111.560 111.560 115.230 -3.670 19274 3880 1 10 . 1 1 29 29 THR HA H 29 4.680 4.680 4.709 -0.029 19274 3881 1 10 . 1 1 29 29 THR C C 29 176.260 176.260 176.006 0.254 19274 3882 1 10 . 1 1 29 29 THR CA C 29 60.761 60.761 61.920 -1.159 19274 3883 1 10 . 1 1 29 29 THR CB C 29 69.981 69.981 69.951 0.030 19274 3884 1 10 . 1 1 29 29 THR H H 29 7.450 7.450 8.436 -0.986 19274 3885 1 10 . 1 1 30 30 VAL N N 30 119.990 119.990 120.631 -0.641 19274 3886 1 10 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.903 -0.343 19274 3887 1 10 . 1 1 30 30 VAL C C 30 177.080 177.080 176.578 0.502 19274 3888 1 10 . 1 1 30 30 VAL CA C 30 65.941 65.941 63.488 2.453 19274 3889 1 10 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.753 -0.353 19274 3890 1 10 . 1 1 30 30 VAL H H 30 7.990 7.990 7.929 0.061 19274 3891 1 10 . 1 1 31 31 ASP N N 31 117.730 117.730 121.773 -4.043 19274 3892 1 10 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.317 0.003 19274 3893 1 10 . 1 1 31 31 ASP C C 31 178.650 178.650 177.607 1.043 19274 3894 1 10 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.391 0.020 19274 3895 1 10 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.739 -0.029 19274 3896 1 10 . 1 1 31 31 ASP H H 31 8.060 8.060 8.254 -0.194 19274 3897 1 10 . 1 1 32 32 TYR N N 32 121.060 121.060 120.088 0.972 19274 3898 1 10 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.873 0.327 19274 3899 1 10 . 1 1 32 32 TYR C C 32 177.040 177.040 177.039 0.001 19274 3900 1 10 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.776 0.395 19274 3901 1 10 . 1 1 32 32 TYR CB C 32 37.840 37.840 37.989 -0.149 19274 3902 1 10 . 1 1 32 32 TYR H H 32 7.760 7.760 7.404 0.356 19274 3903 1 10 . 1 1 33 33 LEU N N 33 120.480 120.480 120.910 -0.430 19274 3904 1 10 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.181 -0.231 19274 3905 1 10 . 1 1 33 33 LEU C C 33 178.060 178.060 178.644 -0.584 19274 3906 1 10 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.777 0.003 19274 3907 1 10 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.053 0.087 19274 3908 1 10 . 1 1 33 33 LEU H H 33 8.170 8.170 7.697 0.473 19274 3909 1 10 . 1 1 34 34 ARG N N 34 115.900 115.900 117.409 -1.509 19274 3910 1 10 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.984 -0.294 19274 3911 1 10 . 1 1 34 34 ARG C C 34 178.210 178.210 178.730 -0.520 19274 3912 1 10 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.356 1.025 19274 3913 1 10 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.986 0.344 19274 3914 1 10 . 1 1 34 34 ARG H H 34 8.260 8.260 8.027 0.233 19274 3915 1 10 . 1 1 35 35 LYS N N 35 119.800 119.800 120.351 -0.551 19274 3916 1 10 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.888 0.072 19274 3917 1 10 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.488 0.363 19274 3918 1 10 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.167 0.443 19274 3919 1 10 . 1 1 35 35 LYS H H 35 7.460 7.460 7.454 0.006 19274 3920 1 10 . 1 1 36 36 VAL N N 36 119.380 119.380 118.982 0.398 19274 3921 1 10 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.730 -0.230 19274 3922 1 10 . 1 1 36 36 VAL C C 36 178.790 178.790 177.580 1.210 19274 3923 1 10 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.927 1.264 19274 3924 1 10 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.590 0.230 19274 3925 1 10 . 1 1 36 36 VAL H H 36 8.020 8.020 7.262 0.758 19274 3926 1 10 . 1 1 37 37 LEU N N 37 116.970 116.970 118.455 -1.485 19274 3927 1 10 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.203 -0.143 19274 3928 1 10 . 1 1 37 37 LEU C C 37 179.560 179.560 178.784 0.776 19274 3929 1 10 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.469 1.522 19274 3930 1 10 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.005 0.005 19274 3931 1 10 . 1 1 37 37 LEU H H 37 8.250 8.250 7.711 0.539 19274 3932 1 10 . 1 1 38 38 ASN N N 38 116.710 116.710 118.960 -2.250 19274 3933 1 10 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.500 0.080 19274 3934 1 10 . 1 1 38 38 ASN C C 38 177.520 177.520 176.638 0.882 19274 3935 1 10 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.109 -0.159 19274 3936 1 10 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.825 0.265 19274 3937 1 10 . 1 1 38 38 ASN H H 38 8.120 8.120 7.902 0.218 19274 3938 1 10 . 1 1 39 39 GLU N N 39 118.700 118.700 119.247 -0.547 19274 3939 1 10 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.070 0.180 19274 3940 1 10 . 1 1 39 39 GLU C C 39 177.680 177.680 178.534 -0.854 19274 3941 1 10 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.516 -0.715 19274 3942 1 10 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.730 -0.160 19274 3943 1 10 . 1 1 39 39 GLU H H 39 7.800 7.800 7.529 0.271 19274 3944 1 10 . 1 1 40 40 LEU N N 40 118.760 118.760 119.560 -0.800 19274 3945 1 10 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.274 0.096 19274 3946 1 10 . 1 1 40 40 LEU C C 40 177.940 177.940 177.976 -0.036 19274 3947 1 10 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.146 -0.395 19274 3948 1 10 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.300 -0.170 19274 3949 1 10 . 1 1 40 40 LEU H H 40 7.710 7.710 7.965 -0.255 19274 3950 1 10 . 1 1 41 41 GLY N N 41 106.700 106.700 107.631 -0.931 19274 3951 1 10 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.510 1.590 19274 3952 1 10 . 1 1 41 41 GLY H H 41 7.780 7.780 7.784 -0.004 19274 3953 1 10 . 1 1 42 42 ASP N N 42 120.920 120.920 121.068 -0.148 19274 3954 1 10 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.497 0.063 19274 3955 1 10 . 1 1 42 42 ASP C C 42 176.280 176.280 176.999 -0.719 19274 3956 1 10 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.380 -1.489 19274 3957 1 10 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.879 -0.469 19274 3958 1 10 . 1 1 42 42 ASP H H 42 8.440 8.440 8.092 0.348 19274 3959 1 10 . 1 1 43 43 MET N N 43 118.550 118.550 116.997 1.553 19274 3960 1 10 . 1 1 43 43 MET HA H 43 4.380 4.380 4.599 -0.219 19274 3961 1 10 . 1 1 43 43 MET C C 43 175.810 175.810 175.412 0.398 19274 3962 1 10 . 1 1 43 43 MET CA C 43 56.801 56.801 54.634 2.167 19274 3963 1 10 . 1 1 43 43 MET CB C 43 33.140 33.140 34.126 -0.986 19274 3964 1 10 . 1 1 43 43 MET H H 43 8.180 8.180 8.075 0.105 19274 3965 1 10 . 1 1 44 44 MET N N 44 119.050 119.050 121.876 -2.826 19274 3966 1 10 . 1 1 44 44 MET HA H 44 4.870 4.870 4.659 0.211 19274 3967 1 10 . 1 1 44 44 MET CA C 44 53.170 53.170 53.039 0.131 19274 3968 1 10 . 1 1 44 44 MET CB C 44 33.870 33.870 32.697 1.173 19274 3969 1 10 . 1 1 44 44 MET H H 44 7.920 7.920 7.428 0.492 19274 3970 1 10 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.483 0.047 19274 3971 1 10 . 1 1 45 45 PRO C C 45 177.450 177.450 176.738 0.712 19274 3972 1 10 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.921 -0.170 19274 3973 1 10 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.294 0.046 19274 3974 1 10 . 1 1 46 46 ALA N N 46 126.480 126.480 127.920 -1.440 19274 3975 1 10 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.062 0.028 19274 3976 1 10 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.380 1.151 19274 3977 1 10 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.539 0.331 19274 3978 1 10 . 1 1 46 46 ALA H H 46 8.660 8.660 8.785 -0.125 19274 3979 1 10 . 1 1 47 47 ASP N N 47 115.320 115.320 118.077 -2.757 19274 3980 1 10 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.302 0.098 19274 3981 1 10 . 1 1 47 47 ASP C C 47 179.710 179.710 178.408 1.302 19274 3982 1 10 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.739 -1.038 19274 3983 1 10 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.928 -1.238 19274 3984 1 10 . 1 1 47 47 ASP H H 47 8.840 8.840 8.753 0.087 19274 3985 1 10 . 1 1 48 48 GLU N N 48 120.590 120.590 118.670 1.920 19274 3986 1 10 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.085 0.185 19274 3987 1 10 . 1 1 48 48 GLU C C 48 178.700 178.700 179.278 -0.578 19274 3988 1 10 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.955 -0.434 19274 3989 1 10 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.407 0.493 19274 3990 1 10 . 1 1 48 48 GLU H H 48 7.580 7.580 7.675 -0.095 19274 3991 1 10 . 1 1 49 49 ILE N N 49 119.990 119.990 120.262 -0.272 19274 3992 1 10 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.023 -0.243 19274 3993 1 10 . 1 1 49 49 ILE C C 49 177.640 177.640 178.583 -0.943 19274 3994 1 10 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.256 -0.125 19274 3995 1 10 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.033 -0.334 19274 3996 1 10 . 1 1 49 49 ILE H H 49 7.690 7.690 7.591 0.099 19274 3997 1 10 . 1 1 50 50 GLU N N 50 117.290 117.290 118.460 -1.170 19274 3998 1 10 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.163 -0.193 19274 3999 1 10 . 1 1 50 50 GLU C C 50 179.400 179.400 179.019 0.381 19274 4000 1 10 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.523 -0.342 19274 4001 1 10 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.258 -0.608 19274 4002 1 10 . 1 1 50 50 GLU H H 50 8.040 8.040 8.560 -0.520 19274 4003 1 10 . 1 1 51 51 GLU N N 51 119.160 119.160 119.935 -0.775 19274 4004 1 10 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.102 0.118 19274 4005 1 10 . 1 1 51 51 GLU C C 51 179.810 179.810 178.656 1.154 19274 4006 1 10 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.068 0.383 19274 4007 1 10 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.575 -0.265 19274 4008 1 10 . 1 1 51 51 GLU H H 51 7.750 7.750 7.690 0.060 19274 4009 1 10 . 1 1 52 52 MET N N 52 118.780 118.780 116.968 1.812 19274 4010 1 10 . 1 1 52 52 MET HA H 52 4.200 4.200 4.442 -0.242 19274 4011 1 10 . 1 1 52 52 MET CA C 52 59.191 59.191 57.534 1.657 19274 4012 1 10 . 1 1 52 52 MET CB C 52 33.580 33.580 32.680 0.900 19274 4013 1 10 . 1 1 52 52 MET H H 52 7.998 7.998 7.644 0.354 19274 4014 1 10 . 1 1 53 53 ILE N N 53 120.910 120.910 120.116 0.794 19274 4015 1 10 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.085 0.445 19274 4016 1 10 . 1 1 53 53 ILE C C 53 177.086 177.086 177.849 -0.763 19274 4017 1 10 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.177 1.492 19274 4018 1 10 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.612 0.068 19274 4019 1 10 . 1 1 53 53 ILE H H 53 8.420 8.420 8.294 0.126 19274 4020 1 10 . 1 1 54 54 TYR N N 54 119.030 119.030 116.376 2.654 19274 4021 1 10 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.574 -0.274 19274 4022 1 10 . 1 1 54 54 TYR C C 54 177.910 177.910 177.647 0.263 19274 4023 1 10 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.402 1.369 19274 4024 1 10 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.583 -0.033 19274 4025 1 10 . 1 1 54 54 TYR H H 54 7.850 7.850 7.928 -0.078 19274 4026 1 10 . 1 1 55 55 GLU N N 55 115.700 115.700 118.726 -3.026 19274 4027 1 10 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.265 -0.365 19274 4028 1 10 . 1 1 55 55 GLU C C 55 178.280 178.280 177.180 1.100 19274 4029 1 10 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.173 0.218 19274 4030 1 10 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.279 0.231 19274 4031 1 10 . 1 1 55 55 GLU H H 55 7.850 7.850 7.805 0.045 19274 4032 1 10 . 1 1 56 56 ALA N N 56 119.710 119.710 120.086 -0.376 19274 4033 1 10 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.239 0.151 19274 4034 1 10 . 1 1 56 56 ALA C C 56 177.670 177.670 176.176 1.494 19274 4035 1 10 . 1 1 56 56 ALA CA C 56 53.170 53.170 52.608 0.561 19274 4036 1 10 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.978 0.012 19274 4037 1 10 . 1 1 56 56 ALA H H 56 8.009 8.009 7.321 0.688 19274 4038 1 10 . 1 1 57 57 ASP N N 57 117.020 117.020 116.154 0.866 19274 4039 1 10 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.991 0.349 19274 4040 1 10 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.739 0.572 19274 4041 1 10 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.813 -0.943 19274 4042 1 10 . 1 1 57 57 ASP H H 57 8.020 8.020 7.950 0.070 19274 4043 1 10 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.570 -0.260 19274 4044 1 10 . 1 1 58 58 PRO C C 58 178.470 178.470 177.477 0.993 19274 4045 1 10 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.475 0.856 19274 4046 1 10 . 1 1 58 58 PRO CB C 58 31.630 31.630 31.971 -0.342 19274 4047 1 10 . 1 1 59 59 GLN N N 59 115.810 115.810 116.508 -0.698 19274 4048 1 10 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.104 0.406 19274 4049 1 10 . 1 1 59 59 GLN C C 59 176.290 176.290 175.893 0.397 19274 4050 1 10 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.698 -0.817 19274 4051 1 10 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.113 -0.533 19274 4052 1 10 . 1 1 59 59 GLN H H 59 8.750 8.750 7.849 0.901 19274 4053 1 10 . 1 1 60 60 ASN N N 60 118.250 118.250 114.869 3.381 19274 4054 1 10 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.206 0.194 19274 4055 1 10 . 1 1 60 60 ASN C C 60 175.330 175.330 174.696 0.634 19274 4056 1 10 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.014 0.397 19274 4057 1 10 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.424 -0.654 19274 4058 1 10 . 1 1 60 60 ASN H H 60 8.350 8.350 7.726 0.624 19274 4059 1 10 . 1 1 61 61 SER N N 61 118.650 118.650 114.736 3.914 19274 4060 1 10 . 1 1 61 61 SER HA H 61 4.300 4.300 4.419 -0.119 19274 4061 1 10 . 1 1 61 61 SER C C 61 176.810 176.810 175.266 1.544 19274 4062 1 10 . 1 1 61 61 SER CA C 61 60.881 60.881 58.938 1.943 19274 4063 1 10 . 1 1 61 61 SER CB C 61 65.031 65.031 63.581 1.450 19274 4064 1 10 . 1 1 61 61 SER H H 61 9.990 9.990 8.041 1.949 19274 4065 1 10 . 1 1 62 62 GLY N N 62 112.630 112.630 108.565 4.065 19274 4066 1 10 . 1 1 62 62 GLY C C 62 173.960 173.960 173.035 0.925 19274 4067 1 10 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.794 0.536 19274 4068 1 10 . 1 1 62 62 GLY H H 62 10.440 10.440 7.928 2.512 19274 4069 1 10 . 1 1 63 63 TYR N N 63 121.250 121.250 119.062 2.188 19274 4070 1 10 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.886 0.364 19274 4071 1 10 . 1 1 63 63 TYR C C 63 173.900 173.900 174.345 -0.445 19274 4072 1 10 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.362 -0.091 19274 4073 1 10 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.424 3.336 19274 4074 1 10 . 1 1 63 63 TYR H H 63 8.180 8.180 8.164 0.016 19274 4075 1 10 . 1 1 64 64 VAL N N 64 115.490 115.490 122.570 -7.080 19274 4076 1 10 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.363 0.117 19274 4077 1 10 . 1 1 64 64 VAL C C 64 174.240 174.240 174.978 -0.738 19274 4078 1 10 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.124 1.057 19274 4079 1 10 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.307 1.283 19274 4080 1 10 . 1 1 64 64 VAL H H 64 8.930 8.930 8.168 0.762 19274 4081 1 10 . 1 1 65 65 GLN N N 65 128.370 128.370 129.922 -1.552 19274 4082 1 10 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.261 0.169 19274 4083 1 10 . 1 1 65 65 GLN C C 65 177.110 177.110 176.568 0.542 19274 4084 1 10 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.100 0.071 19274 4085 1 10 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.155 0.635 19274 4086 1 10 . 1 1 65 65 GLN H H 65 8.870 8.870 8.826 0.044 19274 4087 1 10 . 1 1 66 66 TYR N N 66 124.870 124.870 121.107 3.763 19274 4088 1 10 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.902 0.108 19274 4089 1 10 . 1 1 66 66 TYR C C 66 176.650 176.650 176.601 0.049 19274 4090 1 10 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.607 -0.326 19274 4091 1 10 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.941 0.569 19274 4092 1 10 . 1 1 66 66 TYR H H 66 7.490 7.490 7.886 -0.396 19274 4093 1 10 . 1 1 67 67 GLU N N 67 125.080 125.080 120.142 4.938 19274 4094 1 10 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.777 0.173 19274 4095 1 10 . 1 1 67 67 GLU C C 67 179.630 179.630 178.407 1.223 19274 4096 1 10 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.719 1.022 19274 4097 1 10 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.785 0.125 19274 4098 1 10 . 1 1 67 67 GLU H H 67 9.010 9.010 7.875 1.135 19274 4099 1 10 . 1 1 68 68 THR N N 68 114.620 114.620 114.525 0.095 19274 4100 1 10 . 1 1 68 68 THR HA H 68 4.000 4.000 4.045 -0.045 19274 4101 1 10 . 1 1 68 68 THR C C 68 176.510 176.510 176.624 -0.114 19274 4102 1 10 . 1 1 68 68 THR CA C 68 64.921 64.921 65.171 -0.250 19274 4103 1 10 . 1 1 68 68 THR CB C 68 68.451 68.451 68.536 -0.085 19274 4104 1 10 . 1 1 68 68 THR H H 68 7.550 7.550 7.859 -0.309 19274 4105 1 10 . 1 1 69 69 PHE N N 69 122.710 122.710 122.729 -0.019 19274 4106 1 10 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.242 -0.112 19274 4107 1 10 . 1 1 69 69 PHE C C 69 177.160 177.160 176.542 0.618 19274 4108 1 10 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.559 1.232 19274 4109 1 10 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.094 0.976 19274 4110 1 10 . 1 1 69 69 PHE H H 69 7.740 7.740 7.647 0.093 19274 4111 1 10 . 1 1 70 70 VAL N N 70 116.340 116.340 117.757 -1.417 19274 4112 1 10 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.225 0.465 19274 4113 1 10 . 1 1 70 70 VAL C C 70 178.010 178.010 178.267 -0.257 19274 4114 1 10 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.296 1.095 19274 4115 1 10 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.331 1.289 19274 4116 1 10 . 1 1 70 70 VAL H H 70 8.600 8.600 8.197 0.403 19274 4117 1 10 . 1 1 71 71 GLY N N 71 105.990 105.990 108.390 -2.400 19274 4118 1 10 . 1 1 71 71 GLY C C 71 174.980 174.980 175.795 -0.815 19274 4119 1 10 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.106 -0.356 19274 4120 1 10 . 1 1 71 71 GLY H H 71 7.690 7.690 7.921 -0.231 19274 4121 1 10 . 1 1 72 72 MET N N 72 117.740 117.740 119.761 -2.021 19274 4122 1 10 . 1 1 72 72 MET HA H 72 4.260 4.260 4.003 0.257 19274 4123 1 10 . 1 1 72 72 MET C C 72 176.400 176.400 177.536 -1.136 19274 4124 1 10 . 1 1 72 72 MET CA C 72 56.611 56.611 58.293 -1.682 19274 4125 1 10 . 1 1 72 72 MET CB C 72 33.000 33.000 32.354 0.646 19274 4126 1 10 . 1 1 72 72 MET H H 72 7.450 7.450 7.327 0.123 19274 4127 1 10 . 1 1 73 73 LEU N N 73 118.370 118.370 116.703 1.667 19274 4128 1 10 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.800 1.220 19274 4129 1 10 . 1 1 73 73 LEU C C 73 176.700 176.700 178.875 -2.175 19274 4130 1 10 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.497 -0.976 19274 4131 1 10 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.584 1.516 19274 4132 1 10 . 1 1 73 73 LEU H H 73 7.380 7.380 7.271 0.109 19274 4133 1 10 . 1 1 74 74 PHE N N 74 117.280 117.280 114.550 2.730 19274 4134 1 10 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.302 0.188 19274 4135 1 10 . 1 1 74 74 PHE C C 74 175.380 175.380 176.414 -1.034 19274 4136 1 10 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.013 -0.632 19274 4137 1 10 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.352 0.058 19274 4138 1 10 . 1 1 74 74 PHE H H 74 7.830 7.830 7.541 0.289 19274 4139 1 10 . 1 1 75 75 LEU N N 75 120.310 120.310 118.105 2.205 19274 4140 1 10 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.359 -0.209 19274 4141 1 10 . 1 1 75 75 LEU C C 75 176.640 176.640 177.229 -0.589 19274 4142 1 10 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.730 0.721 19274 4143 1 10 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.667 0.123 19274 4144 1 10 . 1 1 75 75 LEU H H 75 7.270 7.270 7.176 0.094 19274 4145 1 10 . 1 1 76 76 TRP N N 76 119.350 119.350 121.141 -1.791 19274 4146 1 10 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.600 0.210 19274 4147 1 10 . 1 1 76 76 TRP C C 76 175.050 175.050 176.364 -1.314 19274 4148 1 10 . 1 1 76 76 TRP CA C 76 57.081 57.081 55.472 1.609 19274 4149 1 10 . 1 1 76 76 TRP CB C 76 29.700 29.700 26.683 3.017 19274 4150 1 10 . 1 1 76 76 TRP H H 76 7.870 7.870 7.290 0.580 19274 4151 1 11 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.986 -1.916 19274 4152 1 11 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.369 1.391 19274 4153 1 11 . 1 1 4 4 MET N N 4 120.140 120.140 120.271 -0.131 19274 4154 1 11 . 1 1 4 4 MET HA H 4 4.390 4.390 4.394 -0.004 19274 4155 1 11 . 1 1 4 4 MET CA C 4 55.160 55.160 54.658 0.502 19274 4156 1 11 . 1 1 4 4 MET CB C 4 32.400 32.400 30.997 1.403 19274 4157 1 11 . 1 1 4 4 MET H H 4 8.380 8.380 7.880 0.500 19274 4158 1 11 . 1 1 5 5 ASN N N 5 119.370 119.370 125.183 -5.813 19274 4159 1 11 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.929 0.741 19274 4160 1 11 . 1 1 5 5 ASN CB C 5 38.690 38.690 37.432 1.258 19274 4161 1 11 . 1 1 5 5 ASN H H 5 8.360 8.360 8.621 -0.261 19274 4162 1 11 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.691 0.009 19274 4163 1 11 . 1 1 6 6 HIS C C 6 174.900 174.900 174.569 0.331 19274 4164 1 11 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.379 0.721 19274 4165 1 11 . 1 1 6 6 HIS CB C 6 29.920 29.920 33.098 -3.178 19274 4166 1 11 . 1 1 7 7 ILE N N 7 121.430 121.430 126.084 -4.654 19274 4167 1 11 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.183 -0.103 19274 4168 1 11 . 1 1 7 7 ILE C C 7 175.940 175.940 176.155 -0.215 19274 4169 1 11 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.787 0.924 19274 4170 1 11 . 1 1 7 7 ILE CB C 7 38.560 38.560 35.500 3.060 19274 4171 1 11 . 1 1 7 7 ILE H H 7 8.090 8.090 8.822 -0.732 19274 4172 1 11 . 1 1 8 8 ASN N N 8 121.280 121.280 126.112 -4.832 19274 4173 1 11 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.648 0.232 19274 4174 1 11 . 1 1 8 8 ASN C C 8 175.360 175.360 175.122 0.238 19274 4175 1 11 . 1 1 8 8 ASN CA C 8 53.630 53.630 54.999 -1.369 19274 4176 1 11 . 1 1 8 8 ASN CB C 8 39.590 39.590 39.282 0.308 19274 4177 1 11 . 1 1 8 8 ASN H H 8 8.520 8.520 8.408 0.112 19274 4178 1 11 . 1 1 9 9 THR N N 9 112.710 112.710 111.119 1.591 19274 4179 1 11 . 1 1 9 9 THR HA H 9 4.370 4.370 4.616 -0.246 19274 4180 1 11 . 1 1 9 9 THR C C 9 174.690 174.690 174.597 0.093 19274 4181 1 11 . 1 1 9 9 THR CA C 9 62.100 62.100 59.685 2.415 19274 4182 1 11 . 1 1 9 9 THR CB C 9 71.021 71.021 70.412 0.609 19274 4183 1 11 . 1 1 9 9 THR H H 9 8.020 8.020 7.558 0.462 19274 4184 1 11 . 1 1 10 10 LYS N N 10 122.130 122.130 122.294 -0.164 19274 4185 1 11 . 1 1 10 10 LYS HA H 10 3.260 3.260 4.126 -0.866 19274 4186 1 11 . 1 1 10 10 LYS C C 10 177.710 177.710 177.223 0.487 19274 4187 1 11 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.199 2.001 19274 4188 1 11 . 1 1 10 10 LYS CB C 10 32.070 32.070 32.038 0.032 19274 4189 1 11 . 1 1 10 10 LYS H H 10 8.390 8.390 8.765 -0.375 19274 4190 1 11 . 1 1 11 11 ALA N N 11 118.760 118.760 122.732 -3.972 19274 4191 1 11 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.072 -0.032 19274 4192 1 11 . 1 1 11 11 ALA C C 11 180.540 180.540 179.408 1.132 19274 4193 1 11 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.415 0.576 19274 4194 1 11 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.570 -0.520 19274 4195 1 11 . 1 1 11 11 ALA H H 11 8.120 8.120 7.508 0.612 19274 4196 1 11 . 1 1 12 12 GLN N N 12 116.840 116.840 117.342 -0.502 19274 4197 1 11 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.034 0.006 19274 4198 1 11 . 1 1 12 12 GLN C C 12 178.940 178.940 178.259 0.681 19274 4199 1 11 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.811 -0.250 19274 4200 1 11 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.307 0.813 19274 4201 1 11 . 1 1 12 12 GLN H H 12 7.700 7.700 7.676 0.024 19274 4202 1 11 . 1 1 13 13 VAL N N 13 121.610 121.610 119.132 2.478 19274 4203 1 11 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.918 -0.458 19274 4204 1 11 . 1 1 13 13 VAL C C 13 176.920 176.920 177.352 -0.432 19274 4205 1 11 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.361 2.130 19274 4206 1 11 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.421 -0.111 19274 4207 1 11 . 1 1 13 13 VAL H H 13 7.990 7.990 7.636 0.354 19274 4208 1 11 . 1 1 14 14 ILE N N 14 118.850 118.850 120.555 -1.705 19274 4209 1 11 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.887 -0.087 19274 4210 1 11 . 1 1 14 14 ILE C C 14 178.130 178.130 177.855 0.275 19274 4211 1 11 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.175 0.235 19274 4212 1 11 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.559 -0.389 19274 4213 1 11 . 1 1 14 14 ILE H H 14 8.220 8.220 7.263 0.957 19274 4214 1 11 . 1 1 15 15 GLU N N 15 118.090 118.090 119.715 -1.625 19274 4215 1 11 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.047 -0.087 19274 4216 1 11 . 1 1 15 15 GLU C C 15 178.310 178.310 178.829 -0.519 19274 4217 1 11 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.718 -0.378 19274 4218 1 11 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.713 0.547 19274 4219 1 11 . 1 1 15 15 GLU H H 15 7.940 7.940 8.369 -0.429 19274 4220 1 11 . 1 1 16 16 ALA N N 16 120.860 120.860 120.849 0.011 19274 4221 1 11 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.155 -0.025 19274 4222 1 11 . 1 1 16 16 ALA C C 16 180.840 180.840 179.201 1.639 19274 4223 1 11 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.477 0.324 19274 4224 1 11 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.249 -0.459 19274 4225 1 11 . 1 1 16 16 ALA H H 16 7.560 7.560 7.427 0.133 19274 4226 1 11 . 1 1 17 17 PHE N N 17 116.830 116.830 117.316 -0.486 19274 4227 1 11 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.349 0.041 19274 4228 1 11 . 1 1 17 17 PHE C C 17 177.550 177.550 177.443 0.107 19274 4229 1 11 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.599 -1.668 19274 4230 1 11 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.740 -0.850 19274 4231 1 11 . 1 1 17 17 PHE H H 17 7.730 7.730 7.495 0.235 19274 4232 1 11 . 1 1 18 18 LYS N N 18 119.360 119.360 120.215 -0.855 19274 4233 1 11 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.281 -0.311 19274 4234 1 11 . 1 1 18 18 LYS C C 18 178.860 178.860 179.162 -0.302 19274 4235 1 11 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.082 0.549 19274 4236 1 11 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.062 0.398 19274 4237 1 11 . 1 1 18 18 LYS H H 18 8.290 8.290 8.098 0.192 19274 4238 1 11 . 1 1 19 19 VAL N N 19 116.479 116.479 120.313 -3.834 19274 4239 1 11 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.790 -0.140 19274 4240 1 11 . 1 1 19 19 VAL C C 19 177.020 177.020 177.315 -0.295 19274 4241 1 11 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.225 -0.174 19274 4242 1 11 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.800 0.190 19274 4243 1 11 . 1 1 19 19 VAL H H 19 7.400 7.400 7.709 -0.309 19274 4244 1 11 . 1 1 20 20 PHE N N 20 118.120 118.120 121.026 -2.906 19274 4245 1 11 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.221 0.109 19274 4246 1 11 . 1 1 20 20 PHE C C 20 175.750 175.750 176.081 -0.331 19274 4247 1 11 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.594 -0.804 19274 4248 1 11 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.313 0.667 19274 4249 1 11 . 1 1 20 20 PHE H H 20 7.260 7.260 7.576 -0.316 19274 4250 1 11 . 1 1 21 21 ASP N N 21 120.640 120.640 119.421 1.219 19274 4251 1 11 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.439 0.691 19274 4252 1 11 . 1 1 21 21 ASP C C 21 176.520 176.520 176.034 0.486 19274 4253 1 11 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.386 -0.846 19274 4254 1 11 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.131 -0.151 19274 4255 1 11 . 1 1 21 21 ASP H H 21 7.910 7.910 8.147 -0.237 19274 4256 1 11 . 1 1 22 22 ARG N N 22 124.740 124.740 122.843 1.897 19274 4257 1 11 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.259 -0.129 19274 4258 1 11 . 1 1 22 22 ARG C C 22 177.980 177.980 176.886 1.094 19274 4259 1 11 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.327 1.104 19274 4260 1 11 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.277 0.113 19274 4261 1 11 . 1 1 22 22 ARG H H 22 8.120 8.120 7.588 0.532 19274 4262 1 11 . 1 1 23 23 ASP N N 23 116.400 116.400 118.457 -2.057 19274 4263 1 11 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.521 0.229 19274 4264 1 11 . 1 1 23 23 ASP C C 23 176.750 176.750 176.698 0.052 19274 4265 1 11 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.517 0.204 19274 4266 1 11 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.679 0.541 19274 4267 1 11 . 1 1 23 23 ASP H H 23 8.670 8.670 8.450 0.220 19274 4268 1 11 . 1 1 24 24 GLY N N 24 110.310 110.310 107.700 2.610 19274 4269 1 11 . 1 1 24 24 GLY C C 24 175.410 175.410 174.602 0.808 19274 4270 1 11 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.101 1.963 19274 4271 1 11 . 1 1 24 24 GLY H H 24 8.000 8.000 7.832 0.168 19274 4272 1 11 . 1 1 25 25 ASN N N 25 118.870 118.870 118.180 0.690 19274 4273 1 11 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.517 0.343 19274 4274 1 11 . 1 1 25 25 ASN C C 25 176.610 176.610 176.207 0.403 19274 4275 1 11 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.455 -0.305 19274 4276 1 11 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.699 0.731 19274 4277 1 11 . 1 1 25 25 ASN H H 25 9.250 9.250 8.414 0.836 19274 4278 1 11 . 1 1 26 26 GLY N N 26 110.130 110.130 106.776 3.354 19274 4279 1 11 . 1 1 26 26 GLY C C 26 173.300 173.300 172.704 0.596 19274 4280 1 11 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.288 0.302 19274 4281 1 11 . 1 1 26 26 GLY H H 26 10.110 10.110 8.507 1.603 19274 4282 1 11 . 1 1 27 27 TYR N N 27 118.030 118.030 116.672 1.358 19274 4283 1 11 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.688 0.962 19274 4284 1 11 . 1 1 27 27 TYR C C 27 176.130 176.130 173.338 2.792 19274 4285 1 11 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.846 1.444 19274 4286 1 11 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.996 0.494 19274 4287 1 11 . 1 1 27 27 TYR H H 27 8.010 8.010 6.962 1.048 19274 4288 1 11 . 1 1 28 28 VAL N N 28 111.260 111.260 113.516 -2.256 19274 4289 1 11 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.848 0.292 19274 4290 1 11 . 1 1 28 28 VAL C C 28 175.330 175.330 175.767 -0.437 19274 4291 1 11 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.192 -0.101 19274 4292 1 11 . 1 1 28 28 VAL CB C 28 36.340 36.340 34.899 1.441 19274 4293 1 11 . 1 1 28 28 VAL H H 28 8.810 8.810 8.612 0.198 19274 4294 1 11 . 1 1 29 29 THR N N 29 111.560 111.560 111.883 -0.323 19274 4295 1 11 . 1 1 29 29 THR HA H 29 4.680 4.680 4.928 -0.248 19274 4296 1 11 . 1 1 29 29 THR C C 29 176.260 176.260 176.433 -0.173 19274 4297 1 11 . 1 1 29 29 THR CA C 29 60.761 60.761 61.225 -0.464 19274 4298 1 11 . 1 1 29 29 THR CB C 29 69.981 69.981 70.461 -0.480 19274 4299 1 11 . 1 1 29 29 THR H H 29 7.450 7.450 8.370 -0.920 19274 4300 1 11 . 1 1 30 30 VAL N N 30 119.990 119.990 121.864 -1.874 19274 4301 1 11 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.747 -0.187 19274 4302 1 11 . 1 1 30 30 VAL C C 30 177.080 177.080 176.662 0.418 19274 4303 1 11 . 1 1 30 30 VAL CA C 30 65.941 65.941 66.098 -0.157 19274 4304 1 11 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.006 -0.606 19274 4305 1 11 . 1 1 30 30 VAL H H 30 7.990 7.990 7.771 0.219 19274 4306 1 11 . 1 1 31 31 ASP N N 31 117.730 117.730 118.891 -1.161 19274 4307 1 11 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.275 0.045 19274 4308 1 11 . 1 1 31 31 ASP C C 31 178.650 178.650 177.780 0.870 19274 4309 1 11 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.968 -0.557 19274 4310 1 11 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.651 0.059 19274 4311 1 11 . 1 1 31 31 ASP H H 31 8.060 8.060 8.640 -0.580 19274 4312 1 11 . 1 1 32 32 TYR N N 32 121.060 121.060 120.121 0.939 19274 4313 1 11 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.092 0.108 19274 4314 1 11 . 1 1 32 32 TYR C C 32 177.040 177.040 177.066 -0.026 19274 4315 1 11 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.937 0.234 19274 4316 1 11 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.529 -0.689 19274 4317 1 11 . 1 1 32 32 TYR H H 32 7.760 7.760 7.472 0.288 19274 4318 1 11 . 1 1 33 33 LEU N N 33 120.480 120.480 119.871 0.609 19274 4319 1 11 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.137 -0.187 19274 4320 1 11 . 1 1 33 33 LEU C C 33 178.060 178.060 179.002 -0.942 19274 4321 1 11 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.258 0.522 19274 4322 1 11 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.139 0.001 19274 4323 1 11 . 1 1 33 33 LEU H H 33 8.170 8.170 8.023 0.147 19274 4324 1 11 . 1 1 34 34 ARG N N 34 115.900 115.900 118.280 -2.380 19274 4325 1 11 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.077 -0.387 19274 4326 1 11 . 1 1 34 34 ARG C C 34 178.210 178.210 178.278 -0.068 19274 4327 1 11 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.520 0.861 19274 4328 1 11 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.045 0.285 19274 4329 1 11 . 1 1 34 34 ARG H H 34 8.260 8.260 8.310 -0.050 19274 4330 1 11 . 1 1 35 35 LYS N N 35 119.800 119.800 120.471 -0.671 19274 4331 1 11 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.918 0.042 19274 4332 1 11 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.636 0.215 19274 4333 1 11 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.107 0.503 19274 4334 1 11 . 1 1 35 35 LYS H H 35 7.460 7.460 7.329 0.131 19274 4335 1 11 . 1 1 36 36 VAL N N 36 119.380 119.380 118.687 0.693 19274 4336 1 11 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.659 -0.159 19274 4337 1 11 . 1 1 36 36 VAL C C 36 178.790 178.790 177.303 1.487 19274 4338 1 11 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.445 0.746 19274 4339 1 11 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.490 0.330 19274 4340 1 11 . 1 1 36 36 VAL H H 36 8.020 8.020 7.289 0.731 19274 4341 1 11 . 1 1 37 37 LEU N N 37 116.970 116.970 118.006 -1.036 19274 4342 1 11 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.122 -0.062 19274 4343 1 11 . 1 1 37 37 LEU C C 37 179.560 179.560 178.116 1.444 19274 4344 1 11 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.925 1.066 19274 4345 1 11 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.299 -0.289 19274 4346 1 11 . 1 1 37 37 LEU H H 37 8.250 8.250 7.379 0.871 19274 4347 1 11 . 1 1 38 38 ASN N N 38 116.710 116.710 117.530 -0.820 19274 4348 1 11 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.455 0.125 19274 4349 1 11 . 1 1 38 38 ASN C C 38 177.520 177.520 176.578 0.942 19274 4350 1 11 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.918 0.032 19274 4351 1 11 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.192 -0.102 19274 4352 1 11 . 1 1 38 38 ASN H H 38 8.120 8.120 7.782 0.338 19274 4353 1 11 . 1 1 39 39 GLU N N 39 118.700 118.700 118.415 0.285 19274 4354 1 11 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.127 0.123 19274 4355 1 11 . 1 1 39 39 GLU C C 39 177.680 177.680 177.973 -0.293 19274 4356 1 11 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.496 -0.695 19274 4357 1 11 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.770 -0.200 19274 4358 1 11 . 1 1 39 39 GLU H H 39 7.800 7.800 7.893 -0.093 19274 4359 1 11 . 1 1 40 40 LEU N N 40 118.760 118.760 114.070 4.690 19274 4360 1 11 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.677 -0.307 19274 4361 1 11 . 1 1 40 40 LEU C C 40 177.940 177.940 177.827 0.113 19274 4362 1 11 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.683 0.068 19274 4363 1 11 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.641 -0.511 19274 4364 1 11 . 1 1 40 40 LEU H H 40 7.710 7.710 7.363 0.347 19274 4365 1 11 . 1 1 41 41 GLY N N 41 106.700 106.700 107.957 -1.257 19274 4366 1 11 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.595 1.505 19274 4367 1 11 . 1 1 41 41 GLY H H 41 7.780 7.780 7.488 0.292 19274 4368 1 11 . 1 1 42 42 ASP N N 42 120.920 120.920 119.436 1.484 19274 4369 1 11 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.374 0.186 19274 4370 1 11 . 1 1 42 42 ASP C C 42 176.280 176.280 176.427 -0.147 19274 4371 1 11 . 1 1 42 42 ASP CA C 42 54.891 54.891 55.427 -0.536 19274 4372 1 11 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.070 0.340 19274 4373 1 11 . 1 1 42 42 ASP H H 42 8.440 8.440 8.287 0.153 19274 4374 1 11 . 1 1 43 43 MET N N 43 118.550 118.550 118.066 0.484 19274 4375 1 11 . 1 1 43 43 MET HA H 43 4.380 4.380 4.271 0.109 19274 4376 1 11 . 1 1 43 43 MET C C 43 175.810 175.810 176.447 -0.637 19274 4377 1 11 . 1 1 43 43 MET CA C 43 56.801 56.801 57.127 -0.326 19274 4378 1 11 . 1 1 43 43 MET CB C 43 33.140 33.140 32.995 0.145 19274 4379 1 11 . 1 1 43 43 MET H H 43 8.180 8.180 8.135 0.045 19274 4380 1 11 . 1 1 44 44 MET N N 44 119.050 119.050 118.775 0.275 19274 4381 1 11 . 1 1 44 44 MET HA H 44 4.870 4.870 4.637 0.233 19274 4382 1 11 . 1 1 44 44 MET CA C 44 53.170 53.170 52.097 1.073 19274 4383 1 11 . 1 1 44 44 MET CB C 44 33.870 33.870 32.826 1.044 19274 4384 1 11 . 1 1 44 44 MET H H 44 7.920 7.920 7.241 0.679 19274 4385 1 11 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.444 0.086 19274 4386 1 11 . 1 1 45 45 PRO C C 45 177.450 177.450 176.316 1.134 19274 4387 1 11 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.809 -0.059 19274 4388 1 11 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.510 0.830 19274 4389 1 11 . 1 1 46 46 ALA N N 46 126.480 126.480 129.024 -2.544 19274 4390 1 11 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.019 0.071 19274 4391 1 11 . 1 1 46 46 ALA CA C 46 55.531 55.531 53.996 1.535 19274 4392 1 11 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.317 0.553 19274 4393 1 11 . 1 1 46 46 ALA H H 46 8.660 8.660 8.620 0.040 19274 4394 1 11 . 1 1 47 47 ASP N N 47 115.320 115.320 119.190 -3.870 19274 4395 1 11 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.238 0.162 19274 4396 1 11 . 1 1 47 47 ASP C C 47 179.710 179.710 178.589 1.121 19274 4397 1 11 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.157 -1.456 19274 4398 1 11 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.368 -0.678 19274 4399 1 11 . 1 1 47 47 ASP H H 47 8.840 8.840 8.701 0.139 19274 4400 1 11 . 1 1 48 48 GLU N N 48 120.590 120.590 119.957 0.633 19274 4401 1 11 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.316 -0.046 19274 4402 1 11 . 1 1 48 48 GLU C C 48 178.700 178.700 178.979 -0.279 19274 4403 1 11 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.529 -0.008 19274 4404 1 11 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.621 0.279 19274 4405 1 11 . 1 1 48 48 GLU H H 48 7.580 7.580 7.709 -0.129 19274 4406 1 11 . 1 1 49 49 ILE N N 49 119.990 119.990 120.041 -0.051 19274 4407 1 11 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.828 -0.048 19274 4408 1 11 . 1 1 49 49 ILE C C 49 177.640 177.640 178.304 -0.664 19274 4409 1 11 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.197 -0.066 19274 4410 1 11 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.962 -0.262 19274 4411 1 11 . 1 1 49 49 ILE H H 49 7.690 7.690 7.473 0.217 19274 4412 1 11 . 1 1 50 50 GLU N N 50 117.290 117.290 119.376 -2.086 19274 4413 1 11 . 1 1 50 50 GLU HA H 50 3.970 3.970 3.972 -0.002 19274 4414 1 11 . 1 1 50 50 GLU C C 50 179.400 179.400 179.043 0.357 19274 4415 1 11 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.597 -0.416 19274 4416 1 11 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.095 -0.445 19274 4417 1 11 . 1 1 50 50 GLU H H 50 8.040 8.040 8.186 -0.146 19274 4418 1 11 . 1 1 51 51 GLU N N 51 119.160 119.160 118.846 0.314 19274 4419 1 11 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.778 0.442 19274 4420 1 11 . 1 1 51 51 GLU C C 51 179.810 179.810 178.815 0.995 19274 4421 1 11 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.938 0.513 19274 4422 1 11 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.477 -0.167 19274 4423 1 11 . 1 1 51 51 GLU H H 51 7.750 7.750 7.575 0.175 19274 4424 1 11 . 1 1 52 52 MET N N 52 118.780 118.780 117.066 1.714 19274 4425 1 11 . 1 1 52 52 MET HA H 52 4.200 4.200 4.406 -0.206 19274 4426 1 11 . 1 1 52 52 MET CA C 52 59.191 59.191 57.425 1.766 19274 4427 1 11 . 1 1 52 52 MET CB C 52 33.580 33.580 32.470 1.110 19274 4428 1 11 . 1 1 52 52 MET H H 52 7.998 7.998 7.821 0.177 19274 4429 1 11 . 1 1 53 53 ILE N N 53 120.910 120.910 120.101 0.809 19274 4430 1 11 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.295 0.235 19274 4431 1 11 . 1 1 53 53 ILE C C 53 177.086 177.086 178.073 -0.987 19274 4432 1 11 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.987 1.682 19274 4433 1 11 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.467 0.214 19274 4434 1 11 . 1 1 53 53 ILE H H 53 8.420 8.420 8.007 0.413 19274 4435 1 11 . 1 1 54 54 TYR N N 54 119.030 119.030 118.082 0.948 19274 4436 1 11 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.608 -0.308 19274 4437 1 11 . 1 1 54 54 TYR C C 54 177.910 177.910 177.868 0.042 19274 4438 1 11 . 1 1 54 54 TYR CA C 54 60.771 60.771 57.498 3.273 19274 4439 1 11 . 1 1 54 54 TYR CB C 54 37.550 37.550 36.969 0.581 19274 4440 1 11 . 1 1 54 54 TYR H H 54 7.850 7.850 8.036 -0.186 19274 4441 1 11 . 1 1 55 55 GLU N N 55 115.700 115.700 118.316 -2.616 19274 4442 1 11 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.302 -0.402 19274 4443 1 11 . 1 1 55 55 GLU C C 55 178.280 178.280 177.481 0.799 19274 4444 1 11 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.727 0.664 19274 4445 1 11 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.284 0.226 19274 4446 1 11 . 1 1 55 55 GLU H H 55 7.850 7.850 7.596 0.254 19274 4447 1 11 . 1 1 56 56 ALA N N 56 119.710 119.710 121.874 -2.164 19274 4448 1 11 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.158 0.232 19274 4449 1 11 . 1 1 56 56 ALA C C 56 177.670 177.670 176.772 0.898 19274 4450 1 11 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.667 -0.497 19274 4451 1 11 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.554 0.436 19274 4452 1 11 . 1 1 56 56 ALA H H 56 8.009 8.009 7.661 0.348 19274 4453 1 11 . 1 1 57 57 ASP N N 57 117.020 117.020 117.421 -0.401 19274 4454 1 11 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.029 0.311 19274 4455 1 11 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.539 0.771 19274 4456 1 11 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.855 -1.985 19274 4457 1 11 . 1 1 57 57 ASP H H 57 8.020 8.020 8.076 -0.056 19274 4458 1 11 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.916 -0.606 19274 4459 1 11 . 1 1 58 58 PRO C C 58 178.470 178.470 177.014 1.456 19274 4460 1 11 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.619 1.712 19274 4461 1 11 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.387 -0.757 19274 4462 1 11 . 1 1 59 59 GLN N N 59 115.810 115.810 117.544 -1.734 19274 4463 1 11 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.295 0.215 19274 4464 1 11 . 1 1 59 59 GLN C C 59 176.290 176.290 176.020 0.270 19274 4465 1 11 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.066 -0.185 19274 4466 1 11 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.959 -1.379 19274 4467 1 11 . 1 1 59 59 GLN H H 59 8.750 8.750 7.683 1.067 19274 4468 1 11 . 1 1 60 60 ASN N N 60 118.250 118.250 116.345 1.905 19274 4469 1 11 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.313 0.087 19274 4470 1 11 . 1 1 60 60 ASN C C 60 175.330 175.330 175.492 -0.162 19274 4471 1 11 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.870 0.541 19274 4472 1 11 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.094 -0.325 19274 4473 1 11 . 1 1 60 60 ASN H H 60 8.350 8.350 8.198 0.152 19274 4474 1 11 . 1 1 61 61 SER N N 61 118.650 118.650 114.943 3.707 19274 4475 1 11 . 1 1 61 61 SER HA H 61 4.300 4.300 4.371 -0.071 19274 4476 1 11 . 1 1 61 61 SER C C 61 176.810 176.810 175.322 1.488 19274 4477 1 11 . 1 1 61 61 SER CA C 61 60.881 60.881 60.209 0.672 19274 4478 1 11 . 1 1 61 61 SER CB C 61 65.031 65.031 63.868 1.163 19274 4479 1 11 . 1 1 61 61 SER H H 61 9.990 9.990 8.425 1.565 19274 4480 1 11 . 1 1 62 62 GLY N N 62 112.630 112.630 107.048 5.582 19274 4481 1 11 . 1 1 62 62 GLY C C 62 173.960 173.960 173.066 0.894 19274 4482 1 11 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.658 0.672 19274 4483 1 11 . 1 1 62 62 GLY H H 62 10.440 10.440 7.830 2.611 19274 4484 1 11 . 1 1 63 63 TYR N N 63 121.250 121.250 119.604 1.646 19274 4485 1 11 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.107 0.143 19274 4486 1 11 . 1 1 63 63 TYR C C 63 173.900 173.900 174.759 -0.859 19274 4487 1 11 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.104 0.167 19274 4488 1 11 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.213 3.547 19274 4489 1 11 . 1 1 63 63 TYR H H 63 8.180 8.180 8.157 0.023 19274 4490 1 11 . 1 1 64 64 VAL N N 64 115.490 115.490 122.720 -7.230 19274 4491 1 11 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.481 -0.001 19274 4492 1 11 . 1 1 64 64 VAL C C 64 174.240 174.240 174.707 -0.467 19274 4493 1 11 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.469 0.712 19274 4494 1 11 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.811 1.779 19274 4495 1 11 . 1 1 64 64 VAL H H 64 8.930 8.930 8.161 0.769 19274 4496 1 11 . 1 1 65 65 GLN N N 65 128.370 128.370 128.835 -0.465 19274 4497 1 11 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.333 0.097 19274 4498 1 11 . 1 1 65 65 GLN C C 65 177.110 177.110 176.350 0.760 19274 4499 1 11 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.674 -0.503 19274 4500 1 11 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.886 -0.096 19274 4501 1 11 . 1 1 65 65 GLN H H 65 8.870 8.870 8.771 0.099 19274 4502 1 11 . 1 1 66 66 TYR N N 66 124.870 124.870 122.651 2.219 19274 4503 1 11 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.053 -0.043 19274 4504 1 11 . 1 1 66 66 TYR C C 66 176.650 176.650 176.892 -0.242 19274 4505 1 11 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.362 -0.081 19274 4506 1 11 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.186 0.324 19274 4507 1 11 . 1 1 66 66 TYR H H 66 7.490 7.490 8.369 -0.879 19274 4508 1 11 . 1 1 67 67 GLU N N 67 125.080 125.080 119.025 6.055 19274 4509 1 11 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.919 0.031 19274 4510 1 11 . 1 1 67 67 GLU C C 67 179.630 179.630 178.263 1.367 19274 4511 1 11 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.394 1.347 19274 4512 1 11 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.002 -0.092 19274 4513 1 11 . 1 1 67 67 GLU H H 67 9.010 9.010 8.060 0.950 19274 4514 1 11 . 1 1 68 68 THR N N 68 114.620 114.620 111.841 2.779 19274 4515 1 11 . 1 1 68 68 THR HA H 68 4.000 4.000 4.094 -0.094 19274 4516 1 11 . 1 1 68 68 THR C C 68 176.510 176.510 176.320 0.190 19274 4517 1 11 . 1 1 68 68 THR CA C 68 64.921 64.921 64.596 0.325 19274 4518 1 11 . 1 1 68 68 THR CB C 68 68.451 68.451 68.823 -0.372 19274 4519 1 11 . 1 1 68 68 THR H H 68 7.550 7.550 7.730 -0.180 19274 4520 1 11 . 1 1 69 69 PHE N N 69 122.710 122.710 123.283 -0.573 19274 4521 1 11 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.121 0.009 19274 4522 1 11 . 1 1 69 69 PHE C C 69 177.160 177.160 176.733 0.427 19274 4523 1 11 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.807 0.984 19274 4524 1 11 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.006 1.064 19274 4525 1 11 . 1 1 69 69 PHE H H 69 7.740 7.740 8.164 -0.424 19274 4526 1 11 . 1 1 70 70 VAL N N 70 116.340 116.340 117.460 -1.120 19274 4527 1 11 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.189 0.501 19274 4528 1 11 . 1 1 70 70 VAL C C 70 178.010 178.010 178.107 -0.097 19274 4529 1 11 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.749 0.642 19274 4530 1 11 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.873 0.747 19274 4531 1 11 . 1 1 70 70 VAL H H 70 8.600 8.600 7.925 0.675 19274 4532 1 11 . 1 1 71 71 GLY N N 71 105.990 105.990 107.675 -1.685 19274 4533 1 11 . 1 1 71 71 GLY C C 71 174.980 174.980 175.868 -0.888 19274 4534 1 11 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.020 -0.271 19274 4535 1 11 . 1 1 71 71 GLY H H 71 7.690 7.690 7.535 0.155 19274 4536 1 11 . 1 1 72 72 MET N N 72 117.740 117.740 119.774 -2.034 19274 4537 1 11 . 1 1 72 72 MET HA H 72 4.260 4.260 4.358 -0.098 19274 4538 1 11 . 1 1 72 72 MET C C 72 176.400 176.400 176.980 -0.580 19274 4539 1 11 . 1 1 72 72 MET CA C 72 56.611 56.611 57.050 -0.439 19274 4540 1 11 . 1 1 72 72 MET CB C 72 33.000 33.000 32.790 0.210 19274 4541 1 11 . 1 1 72 72 MET H H 72 7.450 7.450 7.725 -0.275 19274 4542 1 11 . 1 1 73 73 LEU N N 73 118.370 118.370 120.922 -2.552 19274 4543 1 11 . 1 1 73 73 LEU HA H 73 4.020 4.020 4.136 -0.116 19274 4544 1 11 . 1 1 73 73 LEU C C 73 176.700 176.700 176.809 -0.109 19274 4545 1 11 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.113 -1.592 19274 4546 1 11 . 1 1 73 73 LEU CB C 73 43.100 43.100 42.512 0.588 19274 4547 1 11 . 1 1 73 73 LEU H H 73 7.380 7.380 7.586 -0.206 19274 4548 1 11 . 1 1 74 74 PHE N N 74 117.280 117.280 116.276 1.004 19274 4549 1 11 . 1 1 74 74 PHE HA H 74 4.490 4.490 3.267 1.223 19274 4550 1 11 . 1 1 74 74 PHE C C 74 175.380 175.380 176.127 -0.747 19274 4551 1 11 . 1 1 74 74 PHE CA C 74 57.381 57.381 56.826 0.555 19274 4552 1 11 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.569 0.841 19274 4553 1 11 . 1 1 74 74 PHE H H 74 7.830 7.830 7.604 0.226 19274 4554 1 11 . 1 1 75 75 LEU N N 75 120.310 120.310 116.294 4.016 19274 4555 1 11 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.329 -0.179 19274 4556 1 11 . 1 1 75 75 LEU C C 75 176.640 176.640 177.342 -0.702 19274 4557 1 11 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.169 1.282 19274 4558 1 11 . 1 1 75 75 LEU CB C 75 41.790 41.790 40.309 1.481 19274 4559 1 11 . 1 1 75 75 LEU H H 75 7.270 7.270 7.122 0.148 19274 4560 1 11 . 1 1 76 76 TRP N N 76 119.350 119.350 121.122 -1.772 19274 4561 1 11 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.398 0.412 19274 4562 1 11 . 1 1 76 76 TRP C C 76 175.050 175.050 177.372 -2.322 19274 4563 1 11 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.224 0.857 19274 4564 1 11 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.803 0.897 19274 4565 1 11 . 1 1 76 76 TRP H H 76 7.870 7.870 7.254 0.616 19274 4566 1 12 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.793 -0.723 19274 4567 1 12 . 1 1 3 3 HIS CB C 3 31.760 31.760 31.415 0.346 19274 4568 1 12 . 1 1 4 4 MET N N 4 120.140 120.140 119.958 0.182 19274 4569 1 12 . 1 1 4 4 MET HA H 4 4.390 4.390 4.441 -0.051 19274 4570 1 12 . 1 1 4 4 MET CA C 4 55.160 55.160 56.181 -1.021 19274 4571 1 12 . 1 1 4 4 MET CB C 4 32.400 32.400 32.852 -0.452 19274 4572 1 12 . 1 1 4 4 MET H H 4 8.380 8.380 8.566 -0.186 19274 4573 1 12 . 1 1 5 5 ASN N N 5 119.370 119.370 119.129 0.241 19274 4574 1 12 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.969 0.701 19274 4575 1 12 . 1 1 5 5 ASN CB C 5 38.690 38.690 36.871 1.819 19274 4576 1 12 . 1 1 5 5 ASN H H 5 8.360 8.360 8.260 0.100 19274 4577 1 12 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.705 -0.005 19274 4578 1 12 . 1 1 6 6 HIS C C 6 174.900 174.900 174.755 0.145 19274 4579 1 12 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.043 1.057 19274 4580 1 12 . 1 1 6 6 HIS CB C 6 29.920 29.920 28.730 1.190 19274 4581 1 12 . 1 1 7 7 ILE N N 7 121.430 121.430 124.008 -2.578 19274 4582 1 12 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.094 -0.014 19274 4583 1 12 . 1 1 7 7 ILE C C 7 175.940 175.940 175.108 0.832 19274 4584 1 12 . 1 1 7 7 ILE CA C 7 61.711 61.711 61.386 0.325 19274 4585 1 12 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.620 -0.060 19274 4586 1 12 . 1 1 7 7 ILE H H 7 8.090 8.090 7.856 0.234 19274 4587 1 12 . 1 1 8 8 ASN N N 8 121.280 121.280 128.135 -6.855 19274 4588 1 12 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.995 -0.115 19274 4589 1 12 . 1 1 8 8 ASN C C 8 175.360 175.360 174.314 1.046 19274 4590 1 12 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.110 1.520 19274 4591 1 12 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.102 1.488 19274 4592 1 12 . 1 1 8 8 ASN H H 8 8.520 8.520 8.557 -0.037 19274 4593 1 12 . 1 1 9 9 THR N N 9 112.710 112.710 117.148 -4.438 19274 4594 1 12 . 1 1 9 9 THR HA H 9 4.370 4.370 4.522 -0.152 19274 4595 1 12 . 1 1 9 9 THR C C 9 174.690 174.690 174.884 -0.194 19274 4596 1 12 . 1 1 9 9 THR CA C 9 62.100 62.100 61.711 0.389 19274 4597 1 12 . 1 1 9 9 THR CB C 9 71.021 71.021 72.213 -1.192 19274 4598 1 12 . 1 1 9 9 THR H H 9 8.020 8.020 7.901 0.119 19274 4599 1 12 . 1 1 10 10 LYS N N 10 122.130 122.130 125.298 -3.168 19274 4600 1 12 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.883 -0.623 19274 4601 1 12 . 1 1 10 10 LYS C C 10 177.710 177.710 177.253 0.457 19274 4602 1 12 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.693 2.507 19274 4603 1 12 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.437 0.633 19274 4604 1 12 . 1 1 10 10 LYS H H 10 8.390 8.390 8.714 -0.324 19274 4605 1 12 . 1 1 11 11 ALA N N 11 118.760 118.760 123.324 -4.564 19274 4606 1 12 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.999 0.041 19274 4607 1 12 . 1 1 11 11 ALA C C 11 180.540 180.540 179.246 1.294 19274 4608 1 12 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.106 -0.115 19274 4609 1 12 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.277 -0.227 19274 4610 1 12 . 1 1 11 11 ALA H H 11 8.120 8.120 8.307 -0.187 19274 4611 1 12 . 1 1 12 12 GLN N N 12 116.840 116.840 117.251 -0.411 19274 4612 1 12 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.050 -0.010 19274 4613 1 12 . 1 1 12 12 GLN C C 12 178.940 178.940 178.146 0.794 19274 4614 1 12 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.447 0.114 19274 4615 1 12 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.270 0.850 19274 4616 1 12 . 1 1 12 12 GLN H H 12 7.700 7.700 7.687 0.013 19274 4617 1 12 . 1 1 13 13 VAL N N 13 121.610 121.610 119.735 1.875 19274 4618 1 12 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.660 -0.200 19274 4619 1 12 . 1 1 13 13 VAL C C 13 176.920 176.920 177.279 -0.359 19274 4620 1 12 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.500 1.991 19274 4621 1 12 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.752 -0.442 19274 4622 1 12 . 1 1 13 13 VAL H H 13 7.990 7.990 7.532 0.458 19274 4623 1 12 . 1 1 14 14 ILE N N 14 118.850 118.850 120.341 -1.491 19274 4624 1 12 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.821 -0.021 19274 4625 1 12 . 1 1 14 14 ILE C C 14 178.130 178.130 178.066 0.064 19274 4626 1 12 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.378 0.032 19274 4627 1 12 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.658 -0.488 19274 4628 1 12 . 1 1 14 14 ILE H H 14 8.220 8.220 7.475 0.745 19274 4629 1 12 . 1 1 15 15 GLU N N 15 118.090 118.090 119.356 -1.266 19274 4630 1 12 . 1 1 15 15 GLU HA H 15 3.960 3.960 3.973 -0.013 19274 4631 1 12 . 1 1 15 15 GLU C C 15 178.310 178.310 178.844 -0.534 19274 4632 1 12 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.102 0.238 19274 4633 1 12 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.816 0.444 19274 4634 1 12 . 1 1 15 15 GLU H H 15 7.940 7.940 8.064 -0.124 19274 4635 1 12 . 1 1 16 16 ALA N N 16 120.860 120.860 121.484 -0.624 19274 4636 1 12 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.103 0.027 19274 4637 1 12 . 1 1 16 16 ALA C C 16 180.840 180.840 179.860 0.980 19274 4638 1 12 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.707 0.094 19274 4639 1 12 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.256 -0.466 19274 4640 1 12 . 1 1 16 16 ALA H H 16 7.560 7.560 7.731 -0.171 19274 4641 1 12 . 1 1 17 17 PHE N N 17 116.830 116.830 117.254 -0.424 19274 4642 1 12 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.342 0.048 19274 4643 1 12 . 1 1 17 17 PHE C C 17 177.550 177.550 177.449 0.101 19274 4644 1 12 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.528 -1.597 19274 4645 1 12 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.278 -0.388 19274 4646 1 12 . 1 1 17 17 PHE H H 17 7.730 7.730 7.637 0.093 19274 4647 1 12 . 1 1 18 18 LYS N N 18 119.360 119.360 118.368 0.992 19274 4648 1 12 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.223 -0.253 19274 4649 1 12 . 1 1 18 18 LYS C C 18 178.860 178.860 178.076 0.784 19274 4650 1 12 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.095 0.536 19274 4651 1 12 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.653 -0.193 19274 4652 1 12 . 1 1 18 18 LYS H H 18 8.290 8.290 7.783 0.507 19274 4653 1 12 . 1 1 19 19 VAL N N 19 116.479 116.479 115.398 1.081 19274 4654 1 12 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.897 -0.247 19274 4655 1 12 . 1 1 19 19 VAL C C 19 177.020 177.020 177.139 -0.119 19274 4656 1 12 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.692 0.359 19274 4657 1 12 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.762 0.228 19274 4658 1 12 . 1 1 19 19 VAL H H 19 7.400 7.400 7.679 -0.279 19274 4659 1 12 . 1 1 20 20 PHE N N 20 118.120 118.120 119.883 -1.763 19274 4660 1 12 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.199 0.131 19274 4661 1 12 . 1 1 20 20 PHE C C 20 175.750 175.750 175.893 -0.143 19274 4662 1 12 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.450 -0.659 19274 4663 1 12 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.536 0.444 19274 4664 1 12 . 1 1 20 20 PHE H H 20 7.260 7.260 7.221 0.039 19274 4665 1 12 . 1 1 21 21 ASP N N 21 120.640 120.640 119.790 0.850 19274 4666 1 12 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.558 0.572 19274 4667 1 12 . 1 1 21 21 ASP C C 21 176.520 176.520 176.392 0.128 19274 4668 1 12 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.715 -1.175 19274 4669 1 12 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.406 -0.426 19274 4670 1 12 . 1 1 21 21 ASP H H 21 7.910 7.910 8.108 -0.198 19274 4671 1 12 . 1 1 22 22 ARG N N 22 124.740 124.740 125.097 -0.357 19274 4672 1 12 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.095 0.035 19274 4673 1 12 . 1 1 22 22 ARG C C 22 177.980 177.980 177.092 0.888 19274 4674 1 12 . 1 1 22 22 ARG CA C 22 58.431 58.431 58.547 -0.116 19274 4675 1 12 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.294 0.096 19274 4676 1 12 . 1 1 22 22 ARG H H 22 8.120 8.120 7.824 0.296 19274 4677 1 12 . 1 1 23 23 ASP N N 23 116.400 116.400 116.566 -0.166 19274 4678 1 12 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.678 0.072 19274 4679 1 12 . 1 1 23 23 ASP C C 23 176.750 176.750 175.412 1.338 19274 4680 1 12 . 1 1 23 23 ASP CA C 23 54.721 54.721 53.912 0.809 19274 4681 1 12 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.856 0.364 19274 4682 1 12 . 1 1 23 23 ASP H H 23 8.670 8.670 8.371 0.299 19274 4683 1 12 . 1 1 24 24 GLY N N 24 110.310 110.310 107.814 2.496 19274 4684 1 12 . 1 1 24 24 GLY C C 24 175.410 175.410 174.773 0.637 19274 4685 1 12 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.478 1.586 19274 4686 1 12 . 1 1 24 24 GLY H H 24 8.000 8.000 7.799 0.201 19274 4687 1 12 . 1 1 25 25 ASN N N 25 118.870 118.870 118.073 0.797 19274 4688 1 12 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.431 0.429 19274 4689 1 12 . 1 1 25 25 ASN C C 25 176.610 176.610 176.236 0.374 19274 4690 1 12 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.870 -0.720 19274 4691 1 12 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.377 0.053 19274 4692 1 12 . 1 1 25 25 ASN H H 25 9.250 9.250 8.474 0.776 19274 4693 1 12 . 1 1 26 26 GLY N N 26 110.130 110.130 106.587 3.543 19274 4694 1 12 . 1 1 26 26 GLY C C 26 173.300 173.300 173.139 0.161 19274 4695 1 12 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.104 0.486 19274 4696 1 12 . 1 1 26 26 GLY H H 26 10.110 10.110 8.531 1.579 19274 4697 1 12 . 1 1 27 27 TYR N N 27 118.030 118.030 118.266 -0.236 19274 4698 1 12 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.750 0.900 19274 4699 1 12 . 1 1 27 27 TYR C C 27 176.130 176.130 173.526 2.604 19274 4700 1 12 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.131 1.160 19274 4701 1 12 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.374 1.116 19274 4702 1 12 . 1 1 27 27 TYR H H 27 8.010 8.010 7.156 0.854 19274 4703 1 12 . 1 1 28 28 VAL N N 28 111.260 111.260 114.183 -2.923 19274 4704 1 12 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.961 0.179 19274 4705 1 12 . 1 1 28 28 VAL C C 28 175.330 175.330 175.543 -0.213 19274 4706 1 12 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.409 -0.318 19274 4707 1 12 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.290 1.050 19274 4708 1 12 . 1 1 28 28 VAL H H 28 8.810 8.810 8.482 0.328 19274 4709 1 12 . 1 1 29 29 THR N N 29 111.560 111.560 109.762 1.798 19274 4710 1 12 . 1 1 29 29 THR HA H 29 4.680 4.680 4.681 -0.001 19274 4711 1 12 . 1 1 29 29 THR C C 29 176.260 176.260 176.137 0.123 19274 4712 1 12 . 1 1 29 29 THR CA C 29 60.761 60.761 61.244 -0.483 19274 4713 1 12 . 1 1 29 29 THR CB C 29 69.981 69.981 70.132 -0.151 19274 4714 1 12 . 1 1 29 29 THR H H 29 7.450 7.450 8.329 -0.879 19274 4715 1 12 . 1 1 30 30 VAL N N 30 119.990 119.990 122.320 -2.330 19274 4716 1 12 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.750 -0.190 19274 4717 1 12 . 1 1 30 30 VAL C C 30 177.080 177.080 176.697 0.383 19274 4718 1 12 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.172 0.769 19274 4719 1 12 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.069 -0.669 19274 4720 1 12 . 1 1 30 30 VAL H H 30 7.990 7.990 8.172 -0.182 19274 4721 1 12 . 1 1 31 31 ASP N N 31 117.730 117.730 120.716 -2.986 19274 4722 1 12 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.237 0.083 19274 4723 1 12 . 1 1 31 31 ASP C C 31 178.650 178.650 178.135 0.515 19274 4724 1 12 . 1 1 31 31 ASP CA C 31 57.411 57.411 59.050 -1.639 19274 4725 1 12 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.291 0.419 19274 4726 1 12 . 1 1 31 31 ASP H H 31 8.060 8.060 8.517 -0.457 19274 4727 1 12 . 1 1 32 32 TYR N N 32 121.060 121.060 120.373 0.687 19274 4728 1 12 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.045 0.155 19274 4729 1 12 . 1 1 32 32 TYR C C 32 177.040 177.040 177.184 -0.144 19274 4730 1 12 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.732 0.439 19274 4731 1 12 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.166 -0.326 19274 4732 1 12 . 1 1 32 32 TYR H H 32 7.760 7.760 7.396 0.364 19274 4733 1 12 . 1 1 33 33 LEU N N 33 120.480 120.480 120.567 -0.087 19274 4734 1 12 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.238 -0.288 19274 4735 1 12 . 1 1 33 33 LEU C C 33 178.060 178.060 178.721 -0.661 19274 4736 1 12 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.736 0.044 19274 4737 1 12 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.078 0.062 19274 4738 1 12 . 1 1 33 33 LEU H H 33 8.170 8.170 7.700 0.470 19274 4739 1 12 . 1 1 34 34 ARG N N 34 115.900 115.900 117.938 -2.038 19274 4740 1 12 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.955 -0.265 19274 4741 1 12 . 1 1 34 34 ARG C C 34 178.210 178.210 178.917 -0.707 19274 4742 1 12 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.672 0.709 19274 4743 1 12 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.134 0.196 19274 4744 1 12 . 1 1 34 34 ARG H H 34 8.260 8.260 7.953 0.307 19274 4745 1 12 . 1 1 35 35 LYS N N 35 119.800 119.800 119.821 -0.021 19274 4746 1 12 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.967 -0.007 19274 4747 1 12 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.766 0.085 19274 4748 1 12 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.264 0.346 19274 4749 1 12 . 1 1 35 35 LYS H H 35 7.460 7.460 7.589 -0.129 19274 4750 1 12 . 1 1 36 36 VAL N N 36 119.380 119.380 119.575 -0.195 19274 4751 1 12 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.891 -0.391 19274 4752 1 12 . 1 1 36 36 VAL C C 36 178.790 178.790 177.362 1.428 19274 4753 1 12 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.689 1.502 19274 4754 1 12 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.472 0.348 19274 4755 1 12 . 1 1 36 36 VAL H H 36 8.020 8.020 7.295 0.725 19274 4756 1 12 . 1 1 37 37 LEU N N 37 116.970 116.970 118.221 -1.251 19274 4757 1 12 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.176 -0.116 19274 4758 1 12 . 1 1 37 37 LEU C C 37 179.560 179.560 177.471 2.089 19274 4759 1 12 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.379 1.612 19274 4760 1 12 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.274 -0.264 19274 4761 1 12 . 1 1 37 37 LEU H H 37 8.250 8.250 7.689 0.561 19274 4762 1 12 . 1 1 38 38 ASN N N 38 116.710 116.710 117.975 -1.265 19274 4763 1 12 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.474 0.106 19274 4764 1 12 . 1 1 38 38 ASN C C 38 177.520 177.520 176.652 0.868 19274 4765 1 12 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.850 0.100 19274 4766 1 12 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.159 -0.069 19274 4767 1 12 . 1 1 38 38 ASN H H 38 8.120 8.120 7.825 0.295 19274 4768 1 12 . 1 1 39 39 GLU N N 39 118.700 118.700 119.380 -0.680 19274 4769 1 12 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.192 0.058 19274 4770 1 12 . 1 1 39 39 GLU C C 39 177.680 177.680 179.064 -1.384 19274 4771 1 12 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.571 -0.770 19274 4772 1 12 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.564 0.006 19274 4773 1 12 . 1 1 39 39 GLU H H 39 7.800 7.800 7.633 0.167 19274 4774 1 12 . 1 1 40 40 LEU N N 40 118.760 118.760 119.795 -1.035 19274 4775 1 12 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.271 0.099 19274 4776 1 12 . 1 1 40 40 LEU C C 40 177.940 177.940 178.658 -0.718 19274 4777 1 12 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.833 -0.082 19274 4778 1 12 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.220 -0.090 19274 4779 1 12 . 1 1 40 40 LEU H H 40 7.710 7.710 7.816 -0.106 19274 4780 1 12 . 1 1 41 41 GLY N N 41 106.700 106.700 106.011 0.689 19274 4781 1 12 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.344 1.756 19274 4782 1 12 . 1 1 41 41 GLY H H 41 7.780 7.780 7.509 0.271 19274 4783 1 12 . 1 1 42 42 ASP N N 42 120.920 120.920 121.850 -0.930 19274 4784 1 12 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.397 0.163 19274 4785 1 12 . 1 1 42 42 ASP C C 42 176.280 176.280 177.535 -1.255 19274 4786 1 12 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.408 -1.517 19274 4787 1 12 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.531 -1.121 19274 4788 1 12 . 1 1 42 42 ASP H H 42 8.440 8.440 7.659 0.781 19274 4789 1 12 . 1 1 43 43 MET N N 43 118.550 118.550 115.405 3.145 19274 4790 1 12 . 1 1 43 43 MET HA H 43 4.380 4.380 4.511 -0.131 19274 4791 1 12 . 1 1 43 43 MET C C 43 175.810 175.810 175.933 -0.123 19274 4792 1 12 . 1 1 43 43 MET CA C 43 56.801 56.801 56.216 0.585 19274 4793 1 12 . 1 1 43 43 MET CB C 43 33.140 33.140 33.112 0.028 19274 4794 1 12 . 1 1 43 43 MET H H 43 8.180 8.180 8.011 0.169 19274 4795 1 12 . 1 1 44 44 MET N N 44 119.050 119.050 120.715 -1.665 19274 4796 1 12 . 1 1 44 44 MET HA H 44 4.870 4.870 4.826 0.044 19274 4797 1 12 . 1 1 44 44 MET CA C 44 53.170 53.170 52.547 0.623 19274 4798 1 12 . 1 1 44 44 MET CB C 44 33.870 33.870 33.032 0.838 19274 4799 1 12 . 1 1 44 44 MET H H 44 7.920 7.920 7.358 0.562 19274 4800 1 12 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.470 0.060 19274 4801 1 12 . 1 1 45 45 PRO C C 45 177.450 177.450 176.517 0.933 19274 4802 1 12 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.065 -0.314 19274 4803 1 12 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.614 0.726 19274 4804 1 12 . 1 1 46 46 ALA N N 46 126.480 126.480 129.723 -3.243 19274 4805 1 12 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.112 -0.022 19274 4806 1 12 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.670 0.861 19274 4807 1 12 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.383 0.487 19274 4808 1 12 . 1 1 46 46 ALA H H 46 8.660 8.660 8.731 -0.071 19274 4809 1 12 . 1 1 47 47 ASP N N 47 115.320 115.320 118.281 -2.961 19274 4810 1 12 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.397 0.003 19274 4811 1 12 . 1 1 47 47 ASP C C 47 179.710 179.710 178.608 1.102 19274 4812 1 12 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.804 -1.103 19274 4813 1 12 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.538 -0.848 19274 4814 1 12 . 1 1 47 47 ASP H H 47 8.840 8.840 8.745 0.095 19274 4815 1 12 . 1 1 48 48 GLU N N 48 120.590 120.590 120.405 0.185 19274 4816 1 12 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.173 0.097 19274 4817 1 12 . 1 1 48 48 GLU C C 48 178.700 178.700 178.872 -0.172 19274 4818 1 12 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.008 -0.486 19274 4819 1 12 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.570 0.331 19274 4820 1 12 . 1 1 48 48 GLU H H 48 7.580 7.580 7.845 -0.265 19274 4821 1 12 . 1 1 49 49 ILE N N 49 119.990 119.990 120.404 -0.414 19274 4822 1 12 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.001 -0.221 19274 4823 1 12 . 1 1 49 49 ILE C C 49 177.640 177.640 178.571 -0.931 19274 4824 1 12 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.267 -0.136 19274 4825 1 12 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.252 -0.552 19274 4826 1 12 . 1 1 49 49 ILE H H 49 7.690 7.690 7.500 0.190 19274 4827 1 12 . 1 1 50 50 GLU N N 50 117.290 117.290 118.258 -0.968 19274 4828 1 12 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.159 -0.189 19274 4829 1 12 . 1 1 50 50 GLU C C 50 179.400 179.400 178.978 0.422 19274 4830 1 12 . 1 1 50 50 GLU CA C 50 59.181 59.181 58.978 0.203 19274 4831 1 12 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.332 -0.682 19274 4832 1 12 . 1 1 50 50 GLU H H 50 8.040 8.040 8.518 -0.478 19274 4833 1 12 . 1 1 51 51 GLU N N 51 119.160 119.160 120.526 -1.366 19274 4834 1 12 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.026 0.194 19274 4835 1 12 . 1 1 51 51 GLU C C 51 179.810 179.810 178.988 0.822 19274 4836 1 12 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.736 0.716 19274 4837 1 12 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.413 -0.103 19274 4838 1 12 . 1 1 51 51 GLU H H 51 7.750 7.750 7.849 -0.099 19274 4839 1 12 . 1 1 52 52 MET N N 52 118.780 118.780 118.836 -0.056 19274 4840 1 12 . 1 1 52 52 MET HA H 52 4.200 4.200 4.640 -0.440 19274 4841 1 12 . 1 1 52 52 MET CA C 52 59.191 59.191 58.959 0.232 19274 4842 1 12 . 1 1 52 52 MET CB C 52 33.580 33.580 33.117 0.463 19274 4843 1 12 . 1 1 52 52 MET H H 52 7.998 7.998 8.091 -0.093 19274 4844 1 12 . 1 1 53 53 ILE N N 53 120.910 120.910 120.148 0.762 19274 4845 1 12 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.204 0.326 19274 4846 1 12 . 1 1 53 53 ILE C C 53 177.086 177.086 177.545 -0.459 19274 4847 1 12 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.640 2.029 19274 4848 1 12 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.199 0.481 19274 4849 1 12 . 1 1 53 53 ILE H H 53 8.420 8.420 7.766 0.654 19274 4850 1 12 . 1 1 54 54 TYR N N 54 119.030 119.030 119.298 -0.268 19274 4851 1 12 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.138 0.162 19274 4852 1 12 . 1 1 54 54 TYR C C 54 177.910 177.910 177.989 -0.079 19274 4853 1 12 . 1 1 54 54 TYR CA C 54 60.771 60.771 61.154 -0.383 19274 4854 1 12 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.401 0.149 19274 4855 1 12 . 1 1 54 54 TYR H H 54 7.850 7.850 7.823 0.027 19274 4856 1 12 . 1 1 55 55 GLU N N 55 115.700 115.700 118.034 -2.334 19274 4857 1 12 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.157 -0.257 19274 4858 1 12 . 1 1 55 55 GLU C C 55 178.280 178.280 177.677 0.603 19274 4859 1 12 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.846 0.545 19274 4860 1 12 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.416 0.094 19274 4861 1 12 . 1 1 55 55 GLU H H 55 7.850 7.850 7.732 0.118 19274 4862 1 12 . 1 1 56 56 ALA N N 56 119.710 119.710 121.559 -1.849 19274 4863 1 12 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.078 0.312 19274 4864 1 12 . 1 1 56 56 ALA C C 56 177.670 177.670 176.538 1.132 19274 4865 1 12 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.988 -0.818 19274 4866 1 12 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.136 0.854 19274 4867 1 12 . 1 1 56 56 ALA H H 56 8.009 8.009 7.711 0.298 19274 4868 1 12 . 1 1 57 57 ASP N N 57 117.020 117.020 116.671 0.349 19274 4869 1 12 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.041 0.299 19274 4870 1 12 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.505 1.806 19274 4871 1 12 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.699 -0.829 19274 4872 1 12 . 1 1 57 57 ASP H H 57 8.020 8.020 7.810 0.210 19274 4873 1 12 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.611 -0.301 19274 4874 1 12 . 1 1 58 58 PRO C C 58 178.470 178.470 177.897 0.573 19274 4875 1 12 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.395 0.936 19274 4876 1 12 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.414 -0.784 19274 4877 1 12 . 1 1 59 59 GLN N N 59 115.810 115.810 116.275 -0.465 19274 4878 1 12 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.265 0.245 19274 4879 1 12 . 1 1 59 59 GLN C C 59 176.290 176.290 175.769 0.521 19274 4880 1 12 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.637 -0.756 19274 4881 1 12 . 1 1 59 59 GLN CB C 59 27.580 27.580 29.337 -1.757 19274 4882 1 12 . 1 1 59 59 GLN H H 59 8.750 8.750 7.870 0.880 19274 4883 1 12 . 1 1 60 60 ASN N N 60 118.250 118.250 117.200 1.050 19274 4884 1 12 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.409 -0.009 19274 4885 1 12 . 1 1 60 60 ASN C C 60 175.330 175.330 174.747 0.583 19274 4886 1 12 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.823 0.588 19274 4887 1 12 . 1 1 60 60 ASN CB C 60 36.770 36.770 36.868 -0.098 19274 4888 1 12 . 1 1 60 60 ASN H H 60 8.350 8.350 8.102 0.248 19274 4889 1 12 . 1 1 61 61 SER N N 61 118.650 118.650 115.169 3.481 19274 4890 1 12 . 1 1 61 61 SER HA H 61 4.300 4.300 4.427 -0.127 19274 4891 1 12 . 1 1 61 61 SER C C 61 176.810 176.810 175.807 1.003 19274 4892 1 12 . 1 1 61 61 SER CA C 61 60.881 60.881 59.782 1.099 19274 4893 1 12 . 1 1 61 61 SER CB C 61 65.031 65.031 64.082 0.949 19274 4894 1 12 . 1 1 61 61 SER H H 61 9.990 9.990 8.227 1.763 19274 4895 1 12 . 1 1 62 62 GLY N N 62 112.630 112.630 108.337 4.293 19274 4896 1 12 . 1 1 62 62 GLY C C 62 173.960 173.960 173.138 0.822 19274 4897 1 12 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.961 0.369 19274 4898 1 12 . 1 1 62 62 GLY H H 62 10.440 10.440 8.090 2.350 19274 4899 1 12 . 1 1 63 63 TYR N N 63 121.250 121.250 119.627 1.623 19274 4900 1 12 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.107 0.143 19274 4901 1 12 . 1 1 63 63 TYR C C 63 173.900 173.900 174.716 -0.816 19274 4902 1 12 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.390 -0.119 19274 4903 1 12 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.007 3.753 19274 4904 1 12 . 1 1 63 63 TYR H H 63 8.180 8.180 7.962 0.218 19274 4905 1 12 . 1 1 64 64 VAL N N 64 115.490 115.490 122.950 -7.460 19274 4906 1 12 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.354 0.126 19274 4907 1 12 . 1 1 64 64 VAL C C 64 174.240 174.240 174.174 0.066 19274 4908 1 12 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.568 0.613 19274 4909 1 12 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.827 0.763 19274 4910 1 12 . 1 1 64 64 VAL H H 64 8.930 8.930 8.164 0.766 19274 4911 1 12 . 1 1 65 65 GLN N N 65 128.370 128.370 128.903 -0.533 19274 4912 1 12 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.416 0.014 19274 4913 1 12 . 1 1 65 65 GLN C C 65 177.110 177.110 176.672 0.438 19274 4914 1 12 . 1 1 65 65 GLN CA C 65 55.171 55.171 54.801 0.370 19274 4915 1 12 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.892 -0.102 19274 4916 1 12 . 1 1 65 65 GLN H H 65 8.870 8.870 8.852 0.018 19274 4917 1 12 . 1 1 66 66 TYR N N 66 124.870 124.870 122.426 2.444 19274 4918 1 12 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.936 0.074 19274 4919 1 12 . 1 1 66 66 TYR C C 66 176.650 176.650 176.740 -0.090 19274 4920 1 12 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.458 -0.177 19274 4921 1 12 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.960 0.550 19274 4922 1 12 . 1 1 66 66 TYR H H 66 7.490 7.490 8.163 -0.673 19274 4923 1 12 . 1 1 67 67 GLU N N 67 125.080 125.080 118.283 6.797 19274 4924 1 12 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.878 0.072 19274 4925 1 12 . 1 1 67 67 GLU C C 67 179.630 179.630 177.812 1.818 19274 4926 1 12 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.521 1.220 19274 4927 1 12 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.021 -0.111 19274 4928 1 12 . 1 1 67 67 GLU H H 67 9.010 9.010 8.032 0.978 19274 4929 1 12 . 1 1 68 68 THR N N 68 114.620 114.620 112.903 1.717 19274 4930 1 12 . 1 1 68 68 THR HA H 68 4.000 4.000 4.135 -0.135 19274 4931 1 12 . 1 1 68 68 THR C C 68 176.510 176.510 176.674 -0.164 19274 4932 1 12 . 1 1 68 68 THR CA C 68 64.921 64.921 64.706 0.215 19274 4933 1 12 . 1 1 68 68 THR CB C 68 68.451 68.451 68.590 -0.139 19274 4934 1 12 . 1 1 68 68 THR H H 68 7.550 7.550 7.555 -0.005 19274 4935 1 12 . 1 1 69 69 PHE N N 69 122.710 122.710 123.981 -1.271 19274 4936 1 12 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.319 -0.189 19274 4937 1 12 . 1 1 69 69 PHE C C 69 177.160 177.160 176.424 0.736 19274 4938 1 12 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.015 1.776 19274 4939 1 12 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.894 1.176 19274 4940 1 12 . 1 1 69 69 PHE H H 69 7.740 7.740 7.610 0.130 19274 4941 1 12 . 1 1 70 70 VAL N N 70 116.340 116.340 118.173 -1.833 19274 4942 1 12 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.304 0.386 19274 4943 1 12 . 1 1 70 70 VAL C C 70 178.010 178.010 178.266 -0.256 19274 4944 1 12 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.912 0.479 19274 4945 1 12 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.060 0.560 19274 4946 1 12 . 1 1 70 70 VAL H H 70 8.600 8.600 8.179 0.421 19274 4947 1 12 . 1 1 71 71 GLY N N 71 105.990 105.990 107.599 -1.609 19274 4948 1 12 . 1 1 71 71 GLY C C 71 174.980 174.980 175.381 -0.401 19274 4949 1 12 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.027 -0.277 19274 4950 1 12 . 1 1 71 71 GLY H H 71 7.690 7.690 7.720 -0.030 19274 4951 1 12 . 1 1 72 72 MET N N 72 117.740 117.740 118.479 -0.739 19274 4952 1 12 . 1 1 72 72 MET HA H 72 4.260 4.260 4.306 -0.046 19274 4953 1 12 . 1 1 72 72 MET C C 72 176.400 176.400 176.916 -0.516 19274 4954 1 12 . 1 1 72 72 MET CA C 72 56.611 56.611 57.404 -0.793 19274 4955 1 12 . 1 1 72 72 MET CB C 72 33.000 33.000 32.473 0.527 19274 4956 1 12 . 1 1 72 72 MET H H 72 7.450 7.450 7.493 -0.043 19274 4957 1 12 . 1 1 73 73 LEU N N 73 118.370 118.370 119.994 -1.624 19274 4958 1 12 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.443 0.577 19274 4959 1 12 . 1 1 73 73 LEU C C 73 176.700 176.700 178.009 -1.309 19274 4960 1 12 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.963 -1.442 19274 4961 1 12 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.806 1.294 19274 4962 1 12 . 1 1 73 73 LEU H H 73 7.380 7.380 7.675 -0.295 19274 4963 1 12 . 1 1 74 74 PHE N N 74 117.280 117.280 114.876 2.404 19274 4964 1 12 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.184 0.306 19274 4965 1 12 . 1 1 74 74 PHE C C 74 175.380 175.380 176.432 -1.052 19274 4966 1 12 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.523 -2.142 19274 4967 1 12 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.859 -0.449 19274 4968 1 12 . 1 1 74 74 PHE H H 74 7.830 7.830 7.547 0.283 19274 4969 1 12 . 1 1 75 75 LEU N N 75 120.310 120.310 118.512 1.798 19274 4970 1 12 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.393 -0.243 19274 4971 1 12 . 1 1 75 75 LEU C C 75 176.640 176.640 176.442 0.198 19274 4972 1 12 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.020 1.431 19274 4973 1 12 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.255 0.535 19274 4974 1 12 . 1 1 75 75 LEU H H 75 7.270 7.270 7.138 0.132 19274 4975 1 12 . 1 1 76 76 TRP N N 76 119.350 119.350 121.735 -2.385 19274 4976 1 12 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.460 0.350 19274 4977 1 12 . 1 1 76 76 TRP C C 76 175.050 175.050 176.066 -1.016 19274 4978 1 12 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.577 -0.496 19274 4979 1 12 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.657 2.043 19274 4980 1 12 . 1 1 76 76 TRP H H 76 7.870 7.870 7.385 0.485 19274 4981 1 13 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.974 -1.904 19274 4982 1 13 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.109 1.651 19274 4983 1 13 . 1 1 4 4 MET N N 4 120.140 120.140 120.161 -0.021 19274 4984 1 13 . 1 1 4 4 MET HA H 4 4.390 4.390 4.302 0.088 19274 4985 1 13 . 1 1 4 4 MET CA C 4 55.160 55.160 55.300 -0.140 19274 4986 1 13 . 1 1 4 4 MET CB C 4 32.400 32.400 32.268 0.132 19274 4987 1 13 . 1 1 4 4 MET H H 4 8.380 8.380 8.110 0.270 19274 4988 1 13 . 1 1 5 5 ASN N N 5 119.370 119.370 121.872 -2.502 19274 4989 1 13 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.018 0.652 19274 4990 1 13 . 1 1 5 5 ASN CB C 5 38.690 38.690 39.338 -0.648 19274 4991 1 13 . 1 1 5 5 ASN H H 5 8.360 8.360 8.317 0.043 19274 4992 1 13 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.699 0.001 19274 4993 1 13 . 1 1 6 6 HIS C C 6 174.900 174.900 174.251 0.649 19274 4994 1 13 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.297 0.803 19274 4995 1 13 . 1 1 6 6 HIS CB C 6 29.920 29.920 28.026 1.894 19274 4996 1 13 . 1 1 7 7 ILE N N 7 121.430 121.430 124.513 -3.083 19274 4997 1 13 . 1 1 7 7 ILE HA H 7 4.080 4.080 3.911 0.169 19274 4998 1 13 . 1 1 7 7 ILE C C 7 175.940 175.940 176.425 -0.485 19274 4999 1 13 . 1 1 7 7 ILE CA C 7 61.711 61.711 61.560 0.151 19274 5000 1 13 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.515 0.045 19274 5001 1 13 . 1 1 7 7 ILE H H 7 8.090 8.090 7.777 0.313 19274 5002 1 13 . 1 1 8 8 ASN N N 8 121.280 121.280 123.042 -1.762 19274 5003 1 13 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.703 0.177 19274 5004 1 13 . 1 1 8 8 ASN C C 8 175.360 175.360 175.012 0.348 19274 5005 1 13 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.211 0.419 19274 5006 1 13 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.205 1.385 19274 5007 1 13 . 1 1 8 8 ASN H H 8 8.520 8.520 8.547 -0.027 19274 5008 1 13 . 1 1 9 9 THR N N 9 112.710 112.710 116.908 -4.198 19274 5009 1 13 . 1 1 9 9 THR HA H 9 4.370 4.370 4.306 0.064 19274 5010 1 13 . 1 1 9 9 THR C C 9 174.690 174.690 175.789 -1.099 19274 5011 1 13 . 1 1 9 9 THR CA C 9 62.100 62.100 63.118 -1.018 19274 5012 1 13 . 1 1 9 9 THR CB C 9 71.021 71.021 69.586 1.435 19274 5013 1 13 . 1 1 9 9 THR H H 9 8.020 8.020 7.833 0.187 19274 5014 1 13 . 1 1 10 10 LYS N N 10 122.130 122.130 126.073 -3.943 19274 5015 1 13 . 1 1 10 10 LYS HA H 10 3.260 3.260 4.000 -0.740 19274 5016 1 13 . 1 1 10 10 LYS C C 10 177.710 177.710 177.898 -0.188 19274 5017 1 13 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.579 1.621 19274 5018 1 13 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.879 0.191 19274 5019 1 13 . 1 1 10 10 LYS H H 10 8.390 8.390 8.774 -0.384 19274 5020 1 13 . 1 1 11 11 ALA N N 11 118.760 118.760 122.733 -3.973 19274 5021 1 13 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.193 -0.153 19274 5022 1 13 . 1 1 11 11 ALA C C 11 180.540 180.540 179.603 0.937 19274 5023 1 13 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.538 0.453 19274 5024 1 13 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.114 -0.064 19274 5025 1 13 . 1 1 11 11 ALA H H 11 8.120 8.120 8.213 -0.093 19274 5026 1 13 . 1 1 12 12 GLN N N 12 116.840 116.840 117.873 -1.033 19274 5027 1 13 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.157 -0.117 19274 5028 1 13 . 1 1 12 12 GLN C C 12 178.940 178.940 178.476 0.464 19274 5029 1 13 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.553 0.007 19274 5030 1 13 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.086 1.034 19274 5031 1 13 . 1 1 12 12 GLN H H 12 7.700 7.700 7.591 0.109 19274 5032 1 13 . 1 1 13 13 VAL N N 13 121.610 121.610 119.742 1.868 19274 5033 1 13 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.763 -0.303 19274 5034 1 13 . 1 1 13 13 VAL C C 13 176.920 176.920 177.790 -0.870 19274 5035 1 13 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.475 1.016 19274 5036 1 13 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.087 0.223 19274 5037 1 13 . 1 1 13 13 VAL H H 13 7.990 7.990 7.387 0.603 19274 5038 1 13 . 1 1 14 14 ILE N N 14 118.850 118.850 118.883 -0.033 19274 5039 1 13 . 1 1 14 14 ILE HA H 14 3.800 3.800 4.012 -0.212 19274 5040 1 13 . 1 1 14 14 ILE C C 14 178.130 178.130 178.375 -0.245 19274 5041 1 13 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.696 0.714 19274 5042 1 13 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.770 -0.600 19274 5043 1 13 . 1 1 14 14 ILE H H 14 8.220 8.220 7.251 0.969 19274 5044 1 13 . 1 1 15 15 GLU N N 15 118.090 118.090 119.034 -0.944 19274 5045 1 13 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.116 -0.156 19274 5046 1 13 . 1 1 15 15 GLU C C 15 178.310 178.310 178.572 -0.262 19274 5047 1 13 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.847 0.493 19274 5048 1 13 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.386 -0.126 19274 5049 1 13 . 1 1 15 15 GLU H H 15 7.940 7.940 8.105 -0.165 19274 5050 1 13 . 1 1 16 16 ALA N N 16 120.860 120.860 122.413 -1.553 19274 5051 1 13 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.152 -0.022 19274 5052 1 13 . 1 1 16 16 ALA C C 16 180.840 180.840 179.586 1.254 19274 5053 1 13 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.782 0.019 19274 5054 1 13 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.120 -0.330 19274 5055 1 13 . 1 1 16 16 ALA H H 16 7.560 7.560 7.704 -0.144 19274 5056 1 13 . 1 1 17 17 PHE N N 17 116.830 116.830 116.429 0.401 19274 5057 1 13 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.239 0.151 19274 5058 1 13 . 1 1 17 17 PHE C C 17 177.550 177.550 177.368 0.182 19274 5059 1 13 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.788 -1.857 19274 5060 1 13 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.148 -0.258 19274 5061 1 13 . 1 1 17 17 PHE H H 17 7.730 7.730 7.712 0.018 19274 5062 1 13 . 1 1 18 18 LYS N N 18 119.360 119.360 118.206 1.154 19274 5063 1 13 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.357 -0.387 19274 5064 1 13 . 1 1 18 18 LYS C C 18 178.860 178.860 177.036 1.824 19274 5065 1 13 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.242 1.389 19274 5066 1 13 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.377 0.083 19274 5067 1 13 . 1 1 18 18 LYS H H 18 8.290 8.290 7.602 0.688 19274 5068 1 13 . 1 1 19 19 VAL N N 19 116.479 116.479 118.439 -1.960 19274 5069 1 13 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.776 -0.126 19274 5070 1 13 . 1 1 19 19 VAL C C 19 177.020 177.020 177.020 0.000 19274 5071 1 13 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.453 -0.402 19274 5072 1 13 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.680 0.310 19274 5073 1 13 . 1 1 19 19 VAL H H 19 7.400 7.400 7.181 0.219 19274 5074 1 13 . 1 1 20 20 PHE N N 20 118.120 118.120 119.072 -0.952 19274 5075 1 13 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.182 0.148 19274 5076 1 13 . 1 1 20 20 PHE C C 20 175.750 175.750 175.836 -0.086 19274 5077 1 13 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.347 -0.556 19274 5078 1 13 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.530 0.450 19274 5079 1 13 . 1 1 20 20 PHE H H 20 7.260 7.260 7.131 0.129 19274 5080 1 13 . 1 1 21 21 ASP N N 21 120.640 120.640 119.188 1.452 19274 5081 1 13 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.517 0.613 19274 5082 1 13 . 1 1 21 21 ASP C C 21 176.520 176.520 176.232 0.288 19274 5083 1 13 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.160 -0.620 19274 5084 1 13 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.200 -0.220 19274 5085 1 13 . 1 1 21 21 ASP H H 21 7.910 7.910 8.128 -0.218 19274 5086 1 13 . 1 1 22 22 ARG N N 22 124.740 124.740 125.374 -0.634 19274 5087 1 13 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.227 -0.097 19274 5088 1 13 . 1 1 22 22 ARG C C 22 177.980 177.980 177.001 0.979 19274 5089 1 13 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.438 0.993 19274 5090 1 13 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.450 -0.059 19274 5091 1 13 . 1 1 22 22 ARG H H 22 8.120 8.120 7.665 0.455 19274 5092 1 13 . 1 1 23 23 ASP N N 23 116.400 116.400 118.644 -2.244 19274 5093 1 13 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.449 0.301 19274 5094 1 13 . 1 1 23 23 ASP C C 23 176.750 176.750 176.812 -0.062 19274 5095 1 13 . 1 1 23 23 ASP CA C 23 54.721 54.721 55.225 -0.504 19274 5096 1 13 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.805 0.415 19274 5097 1 13 . 1 1 23 23 ASP H H 23 8.670 8.670 8.028 0.642 19274 5098 1 13 . 1 1 24 24 GLY N N 24 110.310 110.310 106.644 3.666 19274 5099 1 13 . 1 1 24 24 GLY C C 24 175.410 175.410 174.798 0.612 19274 5100 1 13 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.129 1.935 19274 5101 1 13 . 1 1 24 24 GLY H H 24 8.000 8.000 8.029 -0.029 19274 5102 1 13 . 1 1 25 25 ASN N N 25 118.870 118.870 118.649 0.221 19274 5103 1 13 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.411 0.449 19274 5104 1 13 . 1 1 25 25 ASN C C 25 176.610 176.610 176.631 -0.021 19274 5105 1 13 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.796 -0.646 19274 5106 1 13 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.873 0.557 19274 5107 1 13 . 1 1 25 25 ASN H H 25 9.250 9.250 8.389 0.861 19274 5108 1 13 . 1 1 26 26 GLY N N 26 110.130 110.130 106.801 3.329 19274 5109 1 13 . 1 1 26 26 GLY C C 26 173.300 173.300 173.023 0.277 19274 5110 1 13 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.520 0.070 19274 5111 1 13 . 1 1 26 26 GLY H H 26 10.110 10.110 8.234 1.876 19274 5112 1 13 . 1 1 27 27 TYR N N 27 118.030 118.030 117.001 1.029 19274 5113 1 13 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.507 0.143 19274 5114 1 13 . 1 1 27 27 TYR C C 27 176.130 176.130 173.553 2.577 19274 5115 1 13 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.797 1.494 19274 5116 1 13 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.632 0.858 19274 5117 1 13 . 1 1 27 27 TYR H H 27 8.010 8.010 7.221 0.789 19274 5118 1 13 . 1 1 28 28 VAL N N 28 111.260 111.260 117.669 -6.409 19274 5119 1 13 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.745 0.395 19274 5120 1 13 . 1 1 28 28 VAL C C 28 175.330 175.330 175.167 0.163 19274 5121 1 13 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.226 -0.135 19274 5122 1 13 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.965 0.375 19274 5123 1 13 . 1 1 28 28 VAL H H 28 8.810 8.810 9.007 -0.197 19274 5124 1 13 . 1 1 29 29 THR N N 29 111.560 111.560 115.760 -4.200 19274 5125 1 13 . 1 1 29 29 THR HA H 29 4.680 4.680 4.663 0.017 19274 5126 1 13 . 1 1 29 29 THR C C 29 176.260 176.260 175.907 0.353 19274 5127 1 13 . 1 1 29 29 THR CA C 29 60.761 60.761 62.557 -1.796 19274 5128 1 13 . 1 1 29 29 THR CB C 29 69.981 69.981 69.324 0.657 19274 5129 1 13 . 1 1 29 29 THR H H 29 7.450 7.450 8.477 -1.027 19274 5130 1 13 . 1 1 30 30 VAL N N 30 119.990 119.990 123.688 -3.698 19274 5131 1 13 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.881 -0.321 19274 5132 1 13 . 1 1 30 30 VAL C C 30 177.080 177.080 176.665 0.415 19274 5133 1 13 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.637 1.304 19274 5134 1 13 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.793 -0.393 19274 5135 1 13 . 1 1 30 30 VAL H H 30 7.990 7.990 7.935 0.055 19274 5136 1 13 . 1 1 31 31 ASP N N 31 117.730 117.730 120.854 -3.124 19274 5137 1 13 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.268 0.052 19274 5138 1 13 . 1 1 31 31 ASP C C 31 178.650 178.650 177.744 0.906 19274 5139 1 13 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.400 0.011 19274 5140 1 13 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.778 -0.068 19274 5141 1 13 . 1 1 31 31 ASP H H 31 8.060 8.060 8.319 -0.259 19274 5142 1 13 . 1 1 32 32 TYR N N 32 121.060 121.060 120.043 1.017 19274 5143 1 13 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.996 0.204 19274 5144 1 13 . 1 1 32 32 TYR C C 32 177.040 177.040 177.281 -0.241 19274 5145 1 13 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.887 0.284 19274 5146 1 13 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.259 -0.419 19274 5147 1 13 . 1 1 32 32 TYR H H 32 7.760 7.760 7.371 0.389 19274 5148 1 13 . 1 1 33 33 LEU N N 33 120.480 120.480 120.020 0.460 19274 5149 1 13 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.167 -0.217 19274 5150 1 13 . 1 1 33 33 LEU C C 33 178.060 178.060 178.727 -0.667 19274 5151 1 13 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.656 0.124 19274 5152 1 13 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.068 0.072 19274 5153 1 13 . 1 1 33 33 LEU H H 33 8.170 8.170 7.892 0.278 19274 5154 1 13 . 1 1 34 34 ARG N N 34 115.900 115.900 117.555 -1.655 19274 5155 1 13 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.007 -0.317 19274 5156 1 13 . 1 1 34 34 ARG C C 34 178.210 178.210 178.570 -0.360 19274 5157 1 13 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.847 0.534 19274 5158 1 13 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.931 0.399 19274 5159 1 13 . 1 1 34 34 ARG H H 34 8.260 8.260 7.827 0.432 19274 5160 1 13 . 1 1 35 35 LYS N N 35 119.800 119.800 119.338 0.462 19274 5161 1 13 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.925 0.035 19274 5162 1 13 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.592 0.259 19274 5163 1 13 . 1 1 35 35 LYS CB C 35 32.610 32.610 31.874 0.736 19274 5164 1 13 . 1 1 35 35 LYS H H 35 7.460 7.460 7.155 0.305 19274 5165 1 13 . 1 1 36 36 VAL N N 36 119.380 119.380 119.324 0.056 19274 5166 1 13 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.558 -0.058 19274 5167 1 13 . 1 1 36 36 VAL C C 36 178.790 178.790 177.391 1.399 19274 5168 1 13 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.370 0.821 19274 5169 1 13 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.456 0.364 19274 5170 1 13 . 1 1 36 36 VAL H H 36 8.020 8.020 7.066 0.954 19274 5171 1 13 . 1 1 37 37 LEU N N 37 116.970 116.970 117.449 -0.479 19274 5172 1 13 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.140 -0.080 19274 5173 1 13 . 1 1 37 37 LEU C C 37 179.560 179.560 177.666 1.894 19274 5174 1 13 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.990 1.001 19274 5175 1 13 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.501 -0.491 19274 5176 1 13 . 1 1 37 37 LEU H H 37 8.250 8.250 7.421 0.829 19274 5177 1 13 . 1 1 38 38 ASN N N 38 116.710 116.710 116.193 0.517 19274 5178 1 13 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.472 0.108 19274 5179 1 13 . 1 1 38 38 ASN C C 38 177.520 177.520 177.911 -0.391 19274 5180 1 13 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.541 0.409 19274 5181 1 13 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.012 0.078 19274 5182 1 13 . 1 1 38 38 ASN H H 38 8.120 8.120 7.633 0.486 19274 5183 1 13 . 1 1 39 39 GLU N N 39 118.700 118.700 121.235 -2.535 19274 5184 1 13 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.049 0.201 19274 5185 1 13 . 1 1 39 39 GLU C C 39 177.680 177.680 178.640 -0.960 19274 5186 1 13 . 1 1 39 39 GLU CA C 39 57.801 57.801 59.077 -1.276 19274 5187 1 13 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.483 0.087 19274 5188 1 13 . 1 1 39 39 GLU H H 39 7.800 7.800 8.068 -0.268 19274 5189 1 13 . 1 1 40 40 LEU N N 40 118.760 118.760 117.429 1.331 19274 5190 1 13 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.449 -0.079 19274 5191 1 13 . 1 1 40 40 LEU C C 40 177.940 177.940 178.325 -0.385 19274 5192 1 13 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.746 1.005 19274 5193 1 13 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.116 1.014 19274 5194 1 13 . 1 1 40 40 LEU H H 40 7.710 7.710 7.731 -0.021 19274 5195 1 13 . 1 1 41 41 GLY N N 41 106.700 106.700 107.641 -0.941 19274 5196 1 13 . 1 1 41 41 GLY CA C 41 46.100 46.100 45.935 0.165 19274 5197 1 13 . 1 1 41 41 GLY H H 41 7.780 7.780 7.565 0.215 19274 5198 1 13 . 1 1 42 42 ASP N N 42 120.920 120.920 120.586 0.334 19274 5199 1 13 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.528 0.032 19274 5200 1 13 . 1 1 42 42 ASP C C 42 176.280 176.280 177.068 -0.788 19274 5201 1 13 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.145 -1.254 19274 5202 1 13 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.868 -0.458 19274 5203 1 13 . 1 1 42 42 ASP H H 42 8.440 8.440 7.824 0.616 19274 5204 1 13 . 1 1 43 43 MET N N 43 118.550 118.550 117.181 1.369 19274 5205 1 13 . 1 1 43 43 MET HA H 43 4.380 4.380 4.457 -0.077 19274 5206 1 13 . 1 1 43 43 MET C C 43 175.810 175.810 175.454 0.356 19274 5207 1 13 . 1 1 43 43 MET CA C 43 56.801 56.801 55.765 1.036 19274 5208 1 13 . 1 1 43 43 MET CB C 43 33.140 33.140 34.177 -1.037 19274 5209 1 13 . 1 1 43 43 MET H H 43 8.180 8.180 7.753 0.427 19274 5210 1 13 . 1 1 44 44 MET N N 44 119.050 119.050 116.030 3.020 19274 5211 1 13 . 1 1 44 44 MET HA H 44 4.870 4.870 5.002 -0.132 19274 5212 1 13 . 1 1 44 44 MET CA C 44 53.170 53.170 52.757 0.413 19274 5213 1 13 . 1 1 44 44 MET CB C 44 33.870 33.870 34.545 -0.675 19274 5214 1 13 . 1 1 44 44 MET H H 44 7.920 7.920 7.400 0.520 19274 5215 1 13 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.660 -0.130 19274 5216 1 13 . 1 1 45 45 PRO C C 45 177.450 177.450 176.253 1.197 19274 5217 1 13 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.289 -0.538 19274 5218 1 13 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.838 0.502 19274 5219 1 13 . 1 1 46 46 ALA N N 46 126.480 126.480 127.275 -0.795 19274 5220 1 13 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.075 0.015 19274 5221 1 13 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.565 0.966 19274 5222 1 13 . 1 1 46 46 ALA CB C 46 18.870 18.870 19.119 -0.248 19274 5223 1 13 . 1 1 46 46 ALA H H 46 8.660 8.660 8.436 0.224 19274 5224 1 13 . 1 1 47 47 ASP N N 47 115.320 115.320 118.772 -3.452 19274 5225 1 13 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.663 -0.263 19274 5226 1 13 . 1 1 47 47 ASP C C 47 179.710 179.710 178.002 1.708 19274 5227 1 13 . 1 1 47 47 ASP CA C 47 56.701 56.701 56.852 -0.151 19274 5228 1 13 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.196 -0.506 19274 5229 1 13 . 1 1 47 47 ASP H H 47 8.840 8.840 8.603 0.237 19274 5230 1 13 . 1 1 48 48 GLU N N 48 120.590 120.590 119.514 1.076 19274 5231 1 13 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.174 0.096 19274 5232 1 13 . 1 1 48 48 GLU C C 48 178.700 178.700 179.071 -0.371 19274 5233 1 13 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.053 -0.532 19274 5234 1 13 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.263 0.637 19274 5235 1 13 . 1 1 48 48 GLU H H 48 7.580 7.580 8.605 -1.025 19274 5236 1 13 . 1 1 49 49 ILE N N 49 119.990 119.990 119.898 0.092 19274 5237 1 13 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.842 -0.062 19274 5238 1 13 . 1 1 49 49 ILE C C 49 177.640 177.640 178.060 -0.420 19274 5239 1 13 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.226 -0.095 19274 5240 1 13 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.154 -0.454 19274 5241 1 13 . 1 1 49 49 ILE H H 49 7.690 7.690 7.756 -0.066 19274 5242 1 13 . 1 1 50 50 GLU N N 50 117.290 117.290 118.740 -1.450 19274 5243 1 13 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.115 -0.145 19274 5244 1 13 . 1 1 50 50 GLU C C 50 179.400 179.400 178.805 0.595 19274 5245 1 13 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.362 -0.181 19274 5246 1 13 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.012 -0.362 19274 5247 1 13 . 1 1 50 50 GLU H H 50 8.040 8.040 8.373 -0.333 19274 5248 1 13 . 1 1 51 51 GLU N N 51 119.160 119.160 120.921 -1.761 19274 5249 1 13 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.954 0.266 19274 5250 1 13 . 1 1 51 51 GLU C C 51 179.810 179.810 178.994 0.816 19274 5251 1 13 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.183 0.268 19274 5252 1 13 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.665 -0.355 19274 5253 1 13 . 1 1 51 51 GLU H H 51 7.750 7.750 7.558 0.192 19274 5254 1 13 . 1 1 52 52 MET N N 52 118.780 118.780 117.819 0.961 19274 5255 1 13 . 1 1 52 52 MET HA H 52 4.200 4.200 4.379 -0.179 19274 5256 1 13 . 1 1 52 52 MET CA C 52 59.191 59.191 57.937 1.254 19274 5257 1 13 . 1 1 52 52 MET CB C 52 33.580 33.580 32.317 1.263 19274 5258 1 13 . 1 1 52 52 MET H H 52 7.998 7.998 7.924 0.074 19274 5259 1 13 . 1 1 53 53 ILE N N 53 120.910 120.910 119.999 0.911 19274 5260 1 13 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.377 0.153 19274 5261 1 13 . 1 1 53 53 ILE C C 53 177.086 177.086 177.997 -0.911 19274 5262 1 13 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.056 1.613 19274 5263 1 13 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.617 0.063 19274 5264 1 13 . 1 1 53 53 ILE H H 53 8.420 8.420 8.124 0.296 19274 5265 1 13 . 1 1 54 54 TYR N N 54 119.030 119.030 118.331 0.699 19274 5266 1 13 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.125 0.175 19274 5267 1 13 . 1 1 54 54 TYR C C 54 177.910 177.910 177.956 -0.046 19274 5268 1 13 . 1 1 54 54 TYR CA C 54 60.771 60.771 60.545 0.226 19274 5269 1 13 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.618 -0.068 19274 5270 1 13 . 1 1 54 54 TYR H H 54 7.850 7.850 7.848 0.002 19274 5271 1 13 . 1 1 55 55 GLU N N 55 115.700 115.700 117.268 -1.568 19274 5272 1 13 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.141 -0.241 19274 5273 1 13 . 1 1 55 55 GLU C C 55 178.280 178.280 178.164 0.116 19274 5274 1 13 . 1 1 55 55 GLU CA C 55 58.391 58.391 58.044 0.347 19274 5275 1 13 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.043 0.467 19274 5276 1 13 . 1 1 55 55 GLU H H 55 7.850 7.850 7.669 0.181 19274 5277 1 13 . 1 1 56 56 ALA N N 56 119.710 119.710 120.871 -1.161 19274 5278 1 13 . 1 1 56 56 ALA HA H 56 4.390 4.390 3.941 0.449 19274 5279 1 13 . 1 1 56 56 ALA C C 56 177.670 177.670 176.238 1.432 19274 5280 1 13 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.340 -0.170 19274 5281 1 13 . 1 1 56 56 ALA CB C 56 19.990 19.990 18.741 1.249 19274 5282 1 13 . 1 1 56 56 ALA H H 56 8.009 8.009 7.562 0.447 19274 5283 1 13 . 1 1 57 57 ASP N N 57 117.020 117.020 115.914 1.106 19274 5284 1 13 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.136 0.204 19274 5285 1 13 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.743 1.567 19274 5286 1 13 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.029 -1.159 19274 5287 1 13 . 1 1 57 57 ASP H H 57 8.020 8.020 7.553 0.467 19274 5288 1 13 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.642 -0.332 19274 5289 1 13 . 1 1 58 58 PRO C C 58 178.470 178.470 177.555 0.915 19274 5290 1 13 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.090 1.241 19274 5291 1 13 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.453 -0.823 19274 5292 1 13 . 1 1 59 59 GLN N N 59 115.810 115.810 117.134 -1.324 19274 5293 1 13 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.272 0.238 19274 5294 1 13 . 1 1 59 59 GLN C C 59 176.290 176.290 175.582 0.708 19274 5295 1 13 . 1 1 59 59 GLN CA C 59 54.881 54.881 56.114 -1.234 19274 5296 1 13 . 1 1 59 59 GLN CB C 59 27.580 27.580 29.047 -1.467 19274 5297 1 13 . 1 1 59 59 GLN H H 59 8.750 8.750 8.256 0.494 19274 5298 1 13 . 1 1 60 60 ASN N N 60 118.250 118.250 115.272 2.978 19274 5299 1 13 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.512 -0.112 19274 5300 1 13 . 1 1 60 60 ASN C C 60 175.330 175.330 174.958 0.372 19274 5301 1 13 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.846 0.565 19274 5302 1 13 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.265 -0.495 19274 5303 1 13 . 1 1 60 60 ASN H H 60 8.350 8.350 8.078 0.272 19274 5304 1 13 . 1 1 61 61 SER N N 61 118.650 118.650 114.379 4.271 19274 5305 1 13 . 1 1 61 61 SER HA H 61 4.300 4.300 4.553 -0.253 19274 5306 1 13 . 1 1 61 61 SER C C 61 176.810 176.810 174.925 1.885 19274 5307 1 13 . 1 1 61 61 SER CA C 61 60.881 60.881 58.926 1.955 19274 5308 1 13 . 1 1 61 61 SER CB C 61 65.031 65.031 63.948 1.083 19274 5309 1 13 . 1 1 61 61 SER H H 61 9.990 9.990 8.086 1.904 19274 5310 1 13 . 1 1 62 62 GLY N N 62 112.630 112.630 109.783 2.847 19274 5311 1 13 . 1 1 62 62 GLY C C 62 173.960 173.960 172.791 1.169 19274 5312 1 13 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.713 0.617 19274 5313 1 13 . 1 1 62 62 GLY H H 62 10.440 10.440 8.073 2.367 19274 5314 1 13 . 1 1 63 63 TYR N N 63 121.250 121.250 119.010 2.240 19274 5315 1 13 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.340 -0.090 19274 5316 1 13 . 1 1 63 63 TYR C C 63 173.900 173.900 173.713 0.187 19274 5317 1 13 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.571 -0.300 19274 5318 1 13 . 1 1 63 63 TYR CB C 63 42.760 42.760 42.246 0.513 19274 5319 1 13 . 1 1 63 63 TYR H H 63 8.180 8.180 7.877 0.303 19274 5320 1 13 . 1 1 64 64 VAL N N 64 115.490 115.490 119.318 -3.828 19274 5321 1 13 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.548 -0.068 19274 5322 1 13 . 1 1 64 64 VAL C C 64 174.240 174.240 173.913 0.327 19274 5323 1 13 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.734 0.447 19274 5324 1 13 . 1 1 64 64 VAL CB C 64 36.590 36.590 36.040 0.550 19274 5325 1 13 . 1 1 64 64 VAL H H 64 8.930 8.930 9.124 -0.194 19274 5326 1 13 . 1 1 65 65 GLN N N 65 128.370 128.370 129.148 -0.778 19274 5327 1 13 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.537 -0.107 19274 5328 1 13 . 1 1 65 65 GLN C C 65 177.110 177.110 176.600 0.510 19274 5329 1 13 . 1 1 65 65 GLN CA C 65 55.171 55.171 54.804 0.367 19274 5330 1 13 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.204 0.586 19274 5331 1 13 . 1 1 65 65 GLN H H 65 8.870 8.870 8.965 -0.095 19274 5332 1 13 . 1 1 66 66 TYR N N 66 124.870 124.870 121.923 2.947 19274 5333 1 13 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.985 0.025 19274 5334 1 13 . 1 1 66 66 TYR C C 66 176.650 176.650 176.693 -0.043 19274 5335 1 13 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.720 -0.439 19274 5336 1 13 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.070 0.440 19274 5337 1 13 . 1 1 66 66 TYR H H 66 7.490 7.490 8.035 -0.545 19274 5338 1 13 . 1 1 67 67 GLU N N 67 125.080 125.080 118.843 6.237 19274 5339 1 13 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.812 0.138 19274 5340 1 13 . 1 1 67 67 GLU C C 67 179.630 179.630 177.855 1.775 19274 5341 1 13 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.256 1.485 19274 5342 1 13 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.748 0.162 19274 5343 1 13 . 1 1 67 67 GLU H H 67 9.010 9.010 7.976 1.034 19274 5344 1 13 . 1 1 68 68 THR N N 68 114.620 114.620 113.061 1.559 19274 5345 1 13 . 1 1 68 68 THR HA H 68 4.000 4.000 4.120 -0.120 19274 5346 1 13 . 1 1 68 68 THR C C 68 176.510 176.510 175.731 0.779 19274 5347 1 13 . 1 1 68 68 THR CA C 68 64.921 64.921 64.492 0.429 19274 5348 1 13 . 1 1 68 68 THR CB C 68 68.451 68.451 68.944 -0.493 19274 5349 1 13 . 1 1 68 68 THR H H 68 7.550 7.550 7.385 0.165 19274 5350 1 13 . 1 1 69 69 PHE N N 69 122.710 122.710 122.324 0.386 19274 5351 1 13 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.382 -0.252 19274 5352 1 13 . 1 1 69 69 PHE C C 69 177.160 177.160 176.531 0.629 19274 5353 1 13 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.767 1.024 19274 5354 1 13 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.586 0.484 19274 5355 1 13 . 1 1 69 69 PHE H H 69 7.740 7.740 7.684 0.056 19274 5356 1 13 . 1 1 70 70 VAL N N 70 116.340 116.340 117.773 -1.433 19274 5357 1 13 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.486 0.204 19274 5358 1 13 . 1 1 70 70 VAL C C 70 178.010 178.010 177.788 0.222 19274 5359 1 13 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.848 0.543 19274 5360 1 13 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.176 0.444 19274 5361 1 13 . 1 1 70 70 VAL H H 70 8.600 8.600 8.299 0.301 19274 5362 1 13 . 1 1 71 71 GLY N N 71 105.990 105.990 106.570 -0.580 19274 5363 1 13 . 1 1 71 71 GLY C C 71 174.980 174.980 174.647 0.333 19274 5364 1 13 . 1 1 71 71 GLY CA C 71 46.750 46.750 46.532 0.218 19274 5365 1 13 . 1 1 71 71 GLY H H 71 7.690 7.690 7.890 -0.200 19274 5366 1 13 . 1 1 72 72 MET N N 72 117.740 117.740 117.751 -0.011 19274 5367 1 13 . 1 1 72 72 MET HA H 72 4.260 4.260 4.631 -0.371 19274 5368 1 13 . 1 1 72 72 MET C C 72 176.400 176.400 176.927 -0.527 19274 5369 1 13 . 1 1 72 72 MET CA C 72 56.611 56.611 54.514 2.097 19274 5370 1 13 . 1 1 72 72 MET CB C 72 33.000 33.000 33.164 -0.164 19274 5371 1 13 . 1 1 72 72 MET H H 72 7.450 7.450 7.487 -0.036 19274 5372 1 13 . 1 1 73 73 LEU N N 73 118.370 118.370 117.830 0.540 19274 5373 1 13 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.815 1.205 19274 5374 1 13 . 1 1 73 73 LEU C C 73 176.700 176.700 179.120 -2.420 19274 5375 1 13 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.917 -1.396 19274 5376 1 13 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.615 1.484 19274 5377 1 13 . 1 1 73 73 LEU H H 73 7.380 7.380 7.322 0.058 19274 5378 1 13 . 1 1 74 74 PHE N N 74 117.280 117.280 114.635 2.645 19274 5379 1 13 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.205 0.285 19274 5380 1 13 . 1 1 74 74 PHE C C 74 175.380 175.380 176.279 -0.899 19274 5381 1 13 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.670 -2.289 19274 5382 1 13 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.806 -0.396 19274 5383 1 13 . 1 1 74 74 PHE H H 74 7.830 7.830 7.765 0.065 19274 5384 1 13 . 1 1 75 75 LEU N N 75 120.310 120.310 117.828 2.482 19274 5385 1 13 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.454 -0.304 19274 5386 1 13 . 1 1 75 75 LEU C C 75 176.640 176.640 176.739 -0.099 19274 5387 1 13 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.078 1.373 19274 5388 1 13 . 1 1 75 75 LEU CB C 75 41.790 41.790 39.949 1.841 19274 5389 1 13 . 1 1 75 75 LEU H H 75 7.270 7.270 7.727 -0.457 19274 5390 1 13 . 1 1 76 76 TRP N N 76 119.350 119.350 121.016 -1.666 19274 5391 1 13 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.499 0.311 19274 5392 1 13 . 1 1 76 76 TRP C C 76 175.050 175.050 176.725 -1.675 19274 5393 1 13 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.490 0.591 19274 5394 1 13 . 1 1 76 76 TRP CB C 76 29.700 29.700 29.029 0.671 19274 5395 1 13 . 1 1 76 76 TRP H H 76 7.870 7.870 7.279 0.591 19274 5396 1 14 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.222 -1.152 19274 5397 1 14 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.527 1.233 19274 5398 1 14 . 1 1 4 4 MET N N 4 120.140 120.140 118.704 1.436 19274 5399 1 14 . 1 1 4 4 MET HA H 4 4.390 4.390 4.229 0.161 19274 5400 1 14 . 1 1 4 4 MET CA C 4 55.160 55.160 56.515 -1.355 19274 5401 1 14 . 1 1 4 4 MET CB C 4 32.400 32.400 32.954 -0.554 19274 5402 1 14 . 1 1 4 4 MET H H 4 8.380 8.380 8.055 0.325 19274 5403 1 14 . 1 1 5 5 ASN N N 5 119.370 119.370 115.054 4.316 19274 5404 1 14 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.231 0.439 19274 5405 1 14 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.379 0.311 19274 5406 1 14 . 1 1 5 5 ASN H H 5 8.360 8.360 8.261 0.099 19274 5407 1 14 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.546 0.154 19274 5408 1 14 . 1 1 6 6 HIS C C 6 174.900 174.900 174.574 0.326 19274 5409 1 14 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.303 -0.203 19274 5410 1 14 . 1 1 6 6 HIS CB C 6 29.920 29.920 27.493 2.427 19274 5411 1 14 . 1 1 7 7 ILE N N 7 121.430 121.430 125.504 -4.074 19274 5412 1 14 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.323 -0.243 19274 5413 1 14 . 1 1 7 7 ILE C C 7 175.940 175.940 174.352 1.588 19274 5414 1 14 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.400 1.311 19274 5415 1 14 . 1 1 7 7 ILE CB C 7 38.560 38.560 39.711 -1.151 19274 5416 1 14 . 1 1 7 7 ILE H H 7 8.090 8.090 7.802 0.288 19274 5417 1 14 . 1 1 8 8 ASN N N 8 121.280 121.280 127.919 -6.639 19274 5418 1 14 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.909 -0.029 19274 5419 1 14 . 1 1 8 8 ASN C C 8 175.360 175.360 174.356 1.004 19274 5420 1 14 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.379 0.251 19274 5421 1 14 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.291 1.299 19274 5422 1 14 . 1 1 8 8 ASN H H 8 8.520 8.520 8.744 -0.224 19274 5423 1 14 . 1 1 9 9 THR N N 9 112.710 112.710 117.822 -5.112 19274 5424 1 14 . 1 1 9 9 THR HA H 9 4.370 4.370 4.528 -0.158 19274 5425 1 14 . 1 1 9 9 THR C C 9 174.690 174.690 174.409 0.281 19274 5426 1 14 . 1 1 9 9 THR CA C 9 62.100 62.100 61.347 0.753 19274 5427 1 14 . 1 1 9 9 THR CB C 9 71.021 71.021 70.422 0.599 19274 5428 1 14 . 1 1 9 9 THR H H 9 8.020 8.020 8.089 -0.069 19274 5429 1 14 . 1 1 10 10 LYS N N 10 122.130 122.130 124.958 -2.828 19274 5430 1 14 . 1 1 10 10 LYS HA H 10 3.260 3.260 4.028 -0.768 19274 5431 1 14 . 1 1 10 10 LYS C C 10 177.710 177.710 177.437 0.273 19274 5432 1 14 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.421 1.779 19274 5433 1 14 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.930 0.140 19274 5434 1 14 . 1 1 10 10 LYS H H 10 8.390 8.390 8.847 -0.457 19274 5435 1 14 . 1 1 11 11 ALA N N 11 118.760 118.760 122.730 -3.970 19274 5436 1 14 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.003 0.037 19274 5437 1 14 . 1 1 11 11 ALA C C 11 180.540 180.540 179.459 1.081 19274 5438 1 14 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.862 0.129 19274 5439 1 14 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.475 -0.425 19274 5440 1 14 . 1 1 11 11 ALA H H 11 8.120 8.120 7.594 0.526 19274 5441 1 14 . 1 1 12 12 GLN N N 12 116.840 116.840 117.235 -0.395 19274 5442 1 14 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.108 -0.068 19274 5443 1 14 . 1 1 12 12 GLN C C 12 178.940 178.940 178.581 0.359 19274 5444 1 14 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.104 0.457 19274 5445 1 14 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.392 0.728 19274 5446 1 14 . 1 1 12 12 GLN H H 12 7.700 7.700 7.631 0.069 19274 5447 1 14 . 1 1 13 13 VAL N N 13 121.610 121.610 120.586 1.024 19274 5448 1 14 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.703 -0.243 19274 5449 1 14 . 1 1 13 13 VAL C C 13 176.920 176.920 177.365 -0.445 19274 5450 1 14 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.655 1.836 19274 5451 1 14 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.591 -0.281 19274 5452 1 14 . 1 1 13 13 VAL H H 13 7.990 7.990 7.287 0.703 19274 5453 1 14 . 1 1 14 14 ILE N N 14 118.850 118.850 120.047 -1.197 19274 5454 1 14 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.802 -0.002 19274 5455 1 14 . 1 1 14 14 ILE C C 14 178.130 178.130 178.062 0.068 19274 5456 1 14 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.158 0.252 19274 5457 1 14 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.563 -0.393 19274 5458 1 14 . 1 1 14 14 ILE H H 14 8.220 8.220 7.397 0.823 19274 5459 1 14 . 1 1 15 15 GLU N N 15 118.090 118.090 119.063 -0.973 19274 5460 1 14 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.040 -0.080 19274 5461 1 14 . 1 1 15 15 GLU C C 15 178.310 178.310 178.868 -0.558 19274 5462 1 14 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.314 0.026 19274 5463 1 14 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.726 0.534 19274 5464 1 14 . 1 1 15 15 GLU H H 15 7.940 7.940 8.076 -0.136 19274 5465 1 14 . 1 1 16 16 ALA N N 16 120.860 120.860 122.131 -1.271 19274 5466 1 14 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.102 0.028 19274 5467 1 14 . 1 1 16 16 ALA C C 16 180.840 180.840 179.843 0.997 19274 5468 1 14 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.908 -0.107 19274 5469 1 14 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.143 -0.353 19274 5470 1 14 . 1 1 16 16 ALA H H 16 7.560 7.560 7.536 0.024 19274 5471 1 14 . 1 1 17 17 PHE N N 17 116.830 116.830 116.537 0.293 19274 5472 1 14 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.233 0.157 19274 5473 1 14 . 1 1 17 17 PHE C C 17 177.550 177.550 177.629 -0.079 19274 5474 1 14 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.466 -1.535 19274 5475 1 14 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.167 -0.277 19274 5476 1 14 . 1 1 17 17 PHE H H 17 7.730 7.730 7.712 0.018 19274 5477 1 14 . 1 1 18 18 LYS N N 18 119.360 119.360 119.514 -0.154 19274 5478 1 14 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.201 -0.231 19274 5479 1 14 . 1 1 18 18 LYS C C 18 178.860 178.860 178.259 0.601 19274 5480 1 14 . 1 1 18 18 LYS CA C 18 59.631 59.631 57.870 1.761 19274 5481 1 14 . 1 1 18 18 LYS CB C 18 32.460 32.460 31.681 0.779 19274 5482 1 14 . 1 1 18 18 LYS H H 18 8.290 8.290 7.861 0.429 19274 5483 1 14 . 1 1 19 19 VAL N N 19 116.479 116.479 118.901 -2.422 19274 5484 1 14 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.726 -0.076 19274 5485 1 14 . 1 1 19 19 VAL C C 19 177.020 177.020 178.508 -1.488 19274 5486 1 14 . 1 1 19 19 VAL CA C 19 65.051 65.051 66.016 -0.965 19274 5487 1 14 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.694 0.296 19274 5488 1 14 . 1 1 19 19 VAL H H 19 7.400 7.400 7.461 -0.061 19274 5489 1 14 . 1 1 20 20 PHE N N 20 118.120 118.120 119.779 -1.659 19274 5490 1 14 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.013 0.317 19274 5491 1 14 . 1 1 20 20 PHE C C 20 175.750 175.750 176.051 -0.301 19274 5492 1 14 . 1 1 20 20 PHE CA C 20 58.791 58.791 60.230 -1.439 19274 5493 1 14 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.092 0.888 19274 5494 1 14 . 1 1 20 20 PHE H H 20 7.260 7.260 7.347 -0.087 19274 5495 1 14 . 1 1 21 21 ASP N N 21 120.640 120.640 117.983 2.657 19274 5496 1 14 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.605 0.525 19274 5497 1 14 . 1 1 21 21 ASP C C 21 176.520 176.520 175.885 0.635 19274 5498 1 14 . 1 1 21 21 ASP CA C 21 52.540 52.540 52.254 0.286 19274 5499 1 14 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.278 -0.298 19274 5500 1 14 . 1 1 21 21 ASP H H 21 7.910 7.910 7.919 -0.009 19274 5501 1 14 . 1 1 22 22 ARG N N 22 124.740 124.740 119.186 5.554 19274 5502 1 14 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.136 -0.006 19274 5503 1 14 . 1 1 22 22 ARG C C 22 177.980 177.980 177.411 0.569 19274 5504 1 14 . 1 1 22 22 ARG CA C 22 58.431 58.431 58.264 0.167 19274 5505 1 14 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.171 0.219 19274 5506 1 14 . 1 1 22 22 ARG H H 22 8.120 8.120 7.292 0.828 19274 5507 1 14 . 1 1 23 23 ASP N N 23 116.400 116.400 116.938 -0.538 19274 5508 1 14 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.435 0.315 19274 5509 1 14 . 1 1 23 23 ASP C C 23 176.750 176.750 176.565 0.185 19274 5510 1 14 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.447 0.274 19274 5511 1 14 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.296 -0.076 19274 5512 1 14 . 1 1 23 23 ASP H H 23 8.670 8.670 8.043 0.627 19274 5513 1 14 . 1 1 24 24 GLY N N 24 110.310 110.310 107.210 3.100 19274 5514 1 14 . 1 1 24 24 GLY C C 24 175.410 175.410 174.785 0.625 19274 5515 1 14 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.113 1.951 19274 5516 1 14 . 1 1 24 24 GLY H H 24 8.000 8.000 7.666 0.334 19274 5517 1 14 . 1 1 25 25 ASN N N 25 118.870 118.870 119.137 -0.267 19274 5518 1 14 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.490 0.370 19274 5519 1 14 . 1 1 25 25 ASN C C 25 176.610 176.610 176.309 0.301 19274 5520 1 14 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.870 -0.720 19274 5521 1 14 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.662 0.768 19274 5522 1 14 . 1 1 25 25 ASN H H 25 9.250 9.250 8.437 0.813 19274 5523 1 14 . 1 1 26 26 GLY N N 26 110.130 110.130 106.590 3.540 19274 5524 1 14 . 1 1 26 26 GLY C C 26 173.300 173.300 172.851 0.449 19274 5525 1 14 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.295 0.295 19274 5526 1 14 . 1 1 26 26 GLY H H 26 10.110 10.110 8.427 1.683 19274 5527 1 14 . 1 1 27 27 TYR N N 27 118.030 118.030 115.399 2.631 19274 5528 1 14 . 1 1 27 27 TYR HA H 27 5.650 5.650 4.742 0.908 19274 5529 1 14 . 1 1 27 27 TYR C C 27 176.130 176.130 173.224 2.906 19274 5530 1 14 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.912 1.379 19274 5531 1 14 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.810 0.680 19274 5532 1 14 . 1 1 27 27 TYR H H 27 8.010 8.010 6.866 1.144 19274 5533 1 14 . 1 1 28 28 VAL N N 28 111.260 111.260 114.281 -3.021 19274 5534 1 14 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.918 0.222 19274 5535 1 14 . 1 1 28 28 VAL C C 28 175.330 175.330 175.663 -0.333 19274 5536 1 14 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.469 -0.378 19274 5537 1 14 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.258 1.083 19274 5538 1 14 . 1 1 28 28 VAL H H 28 8.810 8.810 8.792 0.018 19274 5539 1 14 . 1 1 29 29 THR N N 29 111.560 111.560 109.997 1.563 19274 5540 1 14 . 1 1 29 29 THR HA H 29 4.680 4.680 5.212 -0.532 19274 5541 1 14 . 1 1 29 29 THR C C 29 176.260 176.260 176.207 0.053 19274 5542 1 14 . 1 1 29 29 THR CA C 29 60.761 60.761 60.499 0.262 19274 5543 1 14 . 1 1 29 29 THR CB C 29 69.981 69.981 70.970 -0.989 19274 5544 1 14 . 1 1 29 29 THR H H 29 7.450 7.450 8.453 -1.003 19274 5545 1 14 . 1 1 30 30 VAL N N 30 119.990 119.990 121.820 -1.830 19274 5546 1 14 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.840 -0.280 19274 5547 1 14 . 1 1 30 30 VAL C C 30 177.080 177.080 176.723 0.357 19274 5548 1 14 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.534 1.407 19274 5549 1 14 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.678 -0.278 19274 5550 1 14 . 1 1 30 30 VAL H H 30 7.990 7.990 8.417 -0.427 19274 5551 1 14 . 1 1 31 31 ASP N N 31 117.730 117.730 121.257 -3.527 19274 5552 1 14 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.323 -0.003 19274 5553 1 14 . 1 1 31 31 ASP C C 31 178.650 178.650 177.630 1.020 19274 5554 1 14 . 1 1 31 31 ASP CA C 31 57.411 57.411 58.085 -0.674 19274 5555 1 14 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.845 -0.135 19274 5556 1 14 . 1 1 31 31 ASP H H 31 8.060 8.060 8.218 -0.158 19274 5557 1 14 . 1 1 32 32 TYR N N 32 121.060 121.060 120.136 0.924 19274 5558 1 14 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.964 0.236 19274 5559 1 14 . 1 1 32 32 TYR C C 32 177.040 177.040 177.199 -0.159 19274 5560 1 14 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.747 0.424 19274 5561 1 14 . 1 1 32 32 TYR CB C 32 37.840 37.840 37.932 -0.092 19274 5562 1 14 . 1 1 32 32 TYR H H 32 7.760 7.760 7.393 0.367 19274 5563 1 14 . 1 1 33 33 LEU N N 33 120.480 120.480 120.470 0.010 19274 5564 1 14 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.110 -0.160 19274 5565 1 14 . 1 1 33 33 LEU C C 33 178.060 178.060 178.690 -0.630 19274 5566 1 14 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.911 -0.132 19274 5567 1 14 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.092 0.048 19274 5568 1 14 . 1 1 33 33 LEU H H 33 8.170 8.170 7.820 0.350 19274 5569 1 14 . 1 1 34 34 ARG N N 34 115.900 115.900 117.525 -1.625 19274 5570 1 14 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.957 -0.267 19274 5571 1 14 . 1 1 34 34 ARG C C 34 178.210 178.210 178.696 -0.486 19274 5572 1 14 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.492 0.888 19274 5573 1 14 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.102 0.228 19274 5574 1 14 . 1 1 34 34 ARG H H 34 8.260 8.260 7.953 0.307 19274 5575 1 14 . 1 1 35 35 LYS N N 35 119.800 119.800 119.628 0.172 19274 5576 1 14 . 1 1 35 35 LYS HA H 35 3.960 3.960 4.001 -0.041 19274 5577 1 14 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.290 0.561 19274 5578 1 14 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.310 0.300 19274 5579 1 14 . 1 1 35 35 LYS H H 35 7.460 7.460 7.424 0.036 19274 5580 1 14 . 1 1 36 36 VAL N N 36 119.380 119.380 119.101 0.279 19274 5581 1 14 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.644 -0.144 19274 5582 1 14 . 1 1 36 36 VAL C C 36 178.790 178.790 177.153 1.637 19274 5583 1 14 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.379 1.812 19274 5584 1 14 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.747 0.073 19274 5585 1 14 . 1 1 36 36 VAL H H 36 8.020 8.020 7.412 0.608 19274 5586 1 14 . 1 1 37 37 LEU N N 37 116.970 116.970 119.165 -2.195 19274 5587 1 14 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.157 -0.097 19274 5588 1 14 . 1 1 37 37 LEU C C 37 179.560 179.560 178.799 0.761 19274 5589 1 14 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.774 1.217 19274 5590 1 14 . 1 1 37 37 LEU CB C 37 41.010 41.010 40.948 0.062 19274 5591 1 14 . 1 1 37 37 LEU H H 37 8.250 8.250 7.839 0.411 19274 5592 1 14 . 1 1 38 38 ASN N N 38 116.710 116.710 118.792 -2.082 19274 5593 1 14 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.451 0.129 19274 5594 1 14 . 1 1 38 38 ASN C C 38 177.520 177.520 176.256 1.264 19274 5595 1 14 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.096 -0.146 19274 5596 1 14 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.556 0.534 19274 5597 1 14 . 1 1 38 38 ASN H H 38 8.120 8.120 7.830 0.290 19274 5598 1 14 . 1 1 39 39 GLU N N 39 118.700 118.700 117.919 0.781 19274 5599 1 14 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.152 0.098 19274 5600 1 14 . 1 1 39 39 GLU C C 39 177.680 177.680 178.087 -0.407 19274 5601 1 14 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.356 -0.555 19274 5602 1 14 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.213 0.357 19274 5603 1 14 . 1 1 39 39 GLU H H 39 7.800 7.800 7.866 -0.066 19274 5604 1 14 . 1 1 40 40 LEU N N 40 118.760 118.760 118.354 0.406 19274 5605 1 14 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.303 0.067 19274 5606 1 14 . 1 1 40 40 LEU C C 40 177.940 177.940 178.656 -0.716 19274 5607 1 14 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.653 0.098 19274 5608 1 14 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.248 -0.118 19274 5609 1 14 . 1 1 40 40 LEU H H 40 7.710 7.710 7.407 0.303 19274 5610 1 14 . 1 1 41 41 GLY N N 41 106.700 106.700 106.619 0.081 19274 5611 1 14 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.485 1.615 19274 5612 1 14 . 1 1 41 41 GLY H H 41 7.780 7.780 7.676 0.104 19274 5613 1 14 . 1 1 42 42 ASP N N 42 120.920 120.920 123.090 -2.170 19274 5614 1 14 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.485 0.075 19274 5615 1 14 . 1 1 42 42 ASP C C 42 176.280 176.280 177.678 -1.398 19274 5616 1 14 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.139 -1.248 19274 5617 1 14 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.773 -1.363 19274 5618 1 14 . 1 1 42 42 ASP H H 42 8.440 8.440 7.693 0.747 19274 5619 1 14 . 1 1 43 43 MET N N 43 118.550 118.550 117.176 1.374 19274 5620 1 14 . 1 1 43 43 MET HA H 43 4.380 4.380 4.542 -0.162 19274 5621 1 14 . 1 1 43 43 MET C C 43 175.810 175.810 176.448 -0.638 19274 5622 1 14 . 1 1 43 43 MET CA C 43 56.801 56.801 56.753 0.048 19274 5623 1 14 . 1 1 43 43 MET CB C 43 33.140 33.140 33.161 -0.021 19274 5624 1 14 . 1 1 43 43 MET H H 43 8.180 8.180 7.953 0.227 19274 5625 1 14 . 1 1 44 44 MET N N 44 119.050 119.050 121.110 -2.060 19274 5626 1 14 . 1 1 44 44 MET HA H 44 4.870 4.870 4.817 0.053 19274 5627 1 14 . 1 1 44 44 MET CA C 44 53.170 53.170 51.635 1.535 19274 5628 1 14 . 1 1 44 44 MET CB C 44 33.870 33.870 31.327 2.543 19274 5629 1 14 . 1 1 44 44 MET H H 44 7.920 7.920 7.806 0.114 19274 5630 1 14 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.409 0.121 19274 5631 1 14 . 1 1 45 45 PRO C C 45 177.450 177.450 177.616 -0.166 19274 5632 1 14 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.038 -0.287 19274 5633 1 14 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.495 -0.155 19274 5634 1 14 . 1 1 46 46 ALA N N 46 126.480 126.480 127.344 -0.864 19274 5635 1 14 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.039 0.051 19274 5636 1 14 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.584 0.947 19274 5637 1 14 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.523 0.347 19274 5638 1 14 . 1 1 46 46 ALA H H 46 8.660 8.660 8.672 -0.012 19274 5639 1 14 . 1 1 47 47 ASP N N 47 115.320 115.320 117.979 -2.659 19274 5640 1 14 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.314 0.086 19274 5641 1 14 . 1 1 47 47 ASP C C 47 179.710 179.710 178.368 1.342 19274 5642 1 14 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.579 -0.878 19274 5643 1 14 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.828 -1.138 19274 5644 1 14 . 1 1 47 47 ASP H H 47 8.840 8.840 8.607 0.233 19274 5645 1 14 . 1 1 48 48 GLU N N 48 120.590 120.590 119.609 0.981 19274 5646 1 14 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.323 -0.053 19274 5647 1 14 . 1 1 48 48 GLU C C 48 178.700 178.700 178.868 -0.168 19274 5648 1 14 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.639 -0.118 19274 5649 1 14 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.420 0.480 19274 5650 1 14 . 1 1 48 48 GLU H H 48 7.580 7.580 7.523 0.057 19274 5651 1 14 . 1 1 49 49 ILE N N 49 119.990 119.990 119.712 0.278 19274 5652 1 14 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.908 -0.128 19274 5653 1 14 . 1 1 49 49 ILE C C 49 177.640 177.640 178.436 -0.796 19274 5654 1 14 . 1 1 49 49 ILE CA C 49 65.131 65.131 64.969 0.162 19274 5655 1 14 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.788 -0.088 19274 5656 1 14 . 1 1 49 49 ILE H H 49 7.690 7.690 7.433 0.257 19274 5657 1 14 . 1 1 50 50 GLU N N 50 117.290 117.290 119.377 -2.087 19274 5658 1 14 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.020 -0.050 19274 5659 1 14 . 1 1 50 50 GLU C C 50 179.400 179.400 179.113 0.287 19274 5660 1 14 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.413 -0.232 19274 5661 1 14 . 1 1 50 50 GLU CB C 50 28.650 28.650 28.566 0.084 19274 5662 1 14 . 1 1 50 50 GLU H H 50 8.040 8.040 8.240 -0.200 19274 5663 1 14 . 1 1 51 51 GLU N N 51 119.160 119.160 118.875 0.285 19274 5664 1 14 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.638 0.582 19274 5665 1 14 . 1 1 51 51 GLU C C 51 179.810 179.810 179.162 0.648 19274 5666 1 14 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.891 0.560 19274 5667 1 14 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.388 -0.078 19274 5668 1 14 . 1 1 51 51 GLU H H 51 7.750 7.750 7.396 0.354 19274 5669 1 14 . 1 1 52 52 MET N N 52 118.780 118.780 117.250 1.530 19274 5670 1 14 . 1 1 52 52 MET HA H 52 4.200 4.200 4.343 -0.143 19274 5671 1 14 . 1 1 52 52 MET CA C 52 59.191 59.191 57.475 1.716 19274 5672 1 14 . 1 1 52 52 MET CB C 52 33.580 33.580 32.396 1.184 19274 5673 1 14 . 1 1 52 52 MET H H 52 7.998 7.998 7.744 0.254 19274 5674 1 14 . 1 1 53 53 ILE N N 53 120.910 120.910 119.951 0.959 19274 5675 1 14 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.364 0.166 19274 5676 1 14 . 1 1 53 53 ILE C C 53 177.086 177.086 177.984 -0.898 19274 5677 1 14 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.090 1.579 19274 5678 1 14 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.643 0.037 19274 5679 1 14 . 1 1 53 53 ILE H H 53 8.420 8.420 8.156 0.264 19274 5680 1 14 . 1 1 54 54 TYR N N 54 119.030 119.030 118.663 0.367 19274 5681 1 14 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.301 -0.001 19274 5682 1 14 . 1 1 54 54 TYR C C 54 177.910 177.910 177.865 0.045 19274 5683 1 14 . 1 1 54 54 TYR CA C 54 60.771 60.771 58.274 2.497 19274 5684 1 14 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.228 0.322 19274 5685 1 14 . 1 1 54 54 TYR H H 54 7.850 7.850 7.894 -0.044 19274 5686 1 14 . 1 1 55 55 GLU N N 55 115.700 115.700 116.556 -0.856 19274 5687 1 14 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.296 -0.396 19274 5688 1 14 . 1 1 55 55 GLU C C 55 178.280 178.280 177.177 1.103 19274 5689 1 14 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.213 1.178 19274 5690 1 14 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.004 0.506 19274 5691 1 14 . 1 1 55 55 GLU H H 55 7.850 7.850 7.708 0.142 19274 5692 1 14 . 1 1 56 56 ALA N N 56 119.710 119.710 123.206 -3.496 19274 5693 1 14 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.131 0.259 19274 5694 1 14 . 1 1 56 56 ALA C C 56 177.670 177.670 177.321 0.349 19274 5695 1 14 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.615 -0.445 19274 5696 1 14 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.159 0.831 19274 5697 1 14 . 1 1 56 56 ALA H H 56 8.009 8.009 7.503 0.506 19274 5698 1 14 . 1 1 57 57 ASP N N 57 117.020 117.020 117.223 -0.203 19274 5699 1 14 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.071 0.269 19274 5700 1 14 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.597 1.713 19274 5701 1 14 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.325 -1.455 19274 5702 1 14 . 1 1 57 57 ASP H H 57 8.020 8.020 7.945 0.075 19274 5703 1 14 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.654 -0.344 19274 5704 1 14 . 1 1 58 58 PRO C C 58 178.470 178.470 176.668 1.802 19274 5705 1 14 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.757 1.574 19274 5706 1 14 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.422 -0.792 19274 5707 1 14 . 1 1 59 59 GLN N N 59 115.810 115.810 116.460 -0.650 19274 5708 1 14 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.270 0.240 19274 5709 1 14 . 1 1 59 59 GLN C C 59 176.290 176.290 175.844 0.446 19274 5710 1 14 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.531 -0.650 19274 5711 1 14 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.169 -0.589 19274 5712 1 14 . 1 1 59 59 GLN H H 59 8.750 8.750 8.150 0.600 19274 5713 1 14 . 1 1 60 60 ASN N N 60 118.250 118.250 115.038 3.212 19274 5714 1 14 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.388 0.012 19274 5715 1 14 . 1 1 60 60 ASN C C 60 175.330 175.330 174.643 0.687 19274 5716 1 14 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.459 -0.048 19274 5717 1 14 . 1 1 60 60 ASN CB C 60 36.770 36.770 36.574 0.196 19274 5718 1 14 . 1 1 60 60 ASN H H 60 8.350 8.350 8.301 0.049 19274 5719 1 14 . 1 1 61 61 SER N N 61 118.650 118.650 113.310 5.340 19274 5720 1 14 . 1 1 61 61 SER HA H 61 4.300 4.300 4.366 -0.066 19274 5721 1 14 . 1 1 61 61 SER C C 61 176.810 176.810 174.241 2.569 19274 5722 1 14 . 1 1 61 61 SER CA C 61 60.881 60.881 57.884 2.997 19274 5723 1 14 . 1 1 61 61 SER CB C 61 65.031 65.031 63.458 1.573 19274 5724 1 14 . 1 1 61 61 SER H H 61 9.990 9.990 7.943 2.047 19274 5725 1 14 . 1 1 62 62 GLY N N 62 112.630 112.630 108.239 4.391 19274 5726 1 14 . 1 1 62 62 GLY C C 62 173.960 173.960 174.461 -0.501 19274 5727 1 14 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.538 -0.208 19274 5728 1 14 . 1 1 62 62 GLY H H 62 10.440 10.440 8.068 2.372 19274 5729 1 14 . 1 1 63 63 TYR N N 63 121.250 121.250 120.889 0.361 19274 5730 1 14 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.835 0.415 19274 5731 1 14 . 1 1 63 63 TYR C C 63 173.900 173.900 174.789 -0.889 19274 5732 1 14 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.459 0.812 19274 5733 1 14 . 1 1 63 63 TYR CB C 63 42.760 42.760 36.860 5.900 19274 5734 1 14 . 1 1 63 63 TYR H H 63 8.180 8.180 7.526 0.654 19274 5735 1 14 . 1 1 64 64 VAL N N 64 115.490 115.490 122.398 -6.908 19274 5736 1 14 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.496 -0.016 19274 5737 1 14 . 1 1 64 64 VAL C C 64 174.240 174.240 174.566 -0.326 19274 5738 1 14 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.533 0.647 19274 5739 1 14 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.528 2.062 19274 5740 1 14 . 1 1 64 64 VAL H H 64 8.930 8.930 8.461 0.469 19274 5741 1 14 . 1 1 65 65 GLN N N 65 128.370 128.370 129.863 -1.493 19274 5742 1 14 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.330 0.100 19274 5743 1 14 . 1 1 65 65 GLN C C 65 177.110 177.110 176.663 0.447 19274 5744 1 14 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.248 -0.077 19274 5745 1 14 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.186 0.604 19274 5746 1 14 . 1 1 65 65 GLN H H 65 8.870 8.870 8.999 -0.129 19274 5747 1 14 . 1 1 66 66 TYR N N 66 124.870 124.870 122.061 2.809 19274 5748 1 14 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.967 0.043 19274 5749 1 14 . 1 1 66 66 TYR C C 66 176.650 176.650 176.888 -0.238 19274 5750 1 14 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.396 -0.115 19274 5751 1 14 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.113 0.397 19274 5752 1 14 . 1 1 66 66 TYR H H 66 7.490 7.490 8.199 -0.709 19274 5753 1 14 . 1 1 67 67 GLU N N 67 125.080 125.080 118.621 6.459 19274 5754 1 14 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.983 -0.033 19274 5755 1 14 . 1 1 67 67 GLU C C 67 179.630 179.630 177.804 1.826 19274 5756 1 14 . 1 1 67 67 GLU CA C 67 60.741 60.741 58.936 1.805 19274 5757 1 14 . 1 1 67 67 GLU CB C 67 28.910 28.910 29.302 -0.392 19274 5758 1 14 . 1 1 67 67 GLU H H 67 9.010 9.010 8.161 0.849 19274 5759 1 14 . 1 1 68 68 THR N N 68 114.620 114.620 112.980 1.640 19274 5760 1 14 . 1 1 68 68 THR HA H 68 4.000 4.000 4.124 -0.124 19274 5761 1 14 . 1 1 68 68 THR C C 68 176.510 176.510 176.307 0.203 19274 5762 1 14 . 1 1 68 68 THR CA C 68 64.921 64.921 64.864 0.057 19274 5763 1 14 . 1 1 68 68 THR CB C 68 68.451 68.451 68.806 -0.355 19274 5764 1 14 . 1 1 68 68 THR H H 68 7.550 7.550 7.445 0.105 19274 5765 1 14 . 1 1 69 69 PHE N N 69 122.710 122.710 123.249 -0.539 19274 5766 1 14 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.344 -0.214 19274 5767 1 14 . 1 1 69 69 PHE C C 69 177.160 177.160 176.678 0.482 19274 5768 1 14 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.901 0.890 19274 5769 1 14 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.249 0.821 19274 5770 1 14 . 1 1 69 69 PHE H H 69 7.740 7.740 8.147 -0.407 19274 5771 1 14 . 1 1 70 70 VAL N N 70 116.340 116.340 117.686 -1.346 19274 5772 1 14 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.353 0.337 19274 5773 1 14 . 1 1 70 70 VAL C C 70 178.010 178.010 178.078 -0.068 19274 5774 1 14 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.633 0.758 19274 5775 1 14 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.770 0.850 19274 5776 1 14 . 1 1 70 70 VAL H H 70 8.600 8.600 7.932 0.668 19274 5777 1 14 . 1 1 71 71 GLY N N 71 105.990 105.990 108.410 -2.420 19274 5778 1 14 . 1 1 71 71 GLY C C 71 174.980 174.980 176.145 -1.165 19274 5779 1 14 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.168 -0.418 19274 5780 1 14 . 1 1 71 71 GLY H H 71 7.690 7.690 7.717 -0.027 19274 5781 1 14 . 1 1 72 72 MET N N 72 117.740 117.740 120.882 -3.142 19274 5782 1 14 . 1 1 72 72 MET HA H 72 4.260 4.260 4.082 0.178 19274 5783 1 14 . 1 1 72 72 MET C C 72 176.400 176.400 177.989 -1.589 19274 5784 1 14 . 1 1 72 72 MET CA C 72 56.611 56.611 58.446 -1.835 19274 5785 1 14 . 1 1 72 72 MET CB C 72 33.000 33.000 32.452 0.548 19274 5786 1 14 . 1 1 72 72 MET H H 72 7.450 7.450 7.552 -0.102 19274 5787 1 14 . 1 1 73 73 LEU N N 73 118.370 118.370 118.869 -0.499 19274 5788 1 14 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.363 0.657 19274 5789 1 14 . 1 1 73 73 LEU C C 73 176.700 176.700 178.022 -1.322 19274 5790 1 14 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.730 -1.209 19274 5791 1 14 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.762 1.338 19274 5792 1 14 . 1 1 73 73 LEU H H 73 7.380 7.380 7.357 0.023 19274 5793 1 14 . 1 1 74 74 PHE N N 74 117.280 117.280 116.047 1.233 19274 5794 1 14 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.375 0.115 19274 5795 1 14 . 1 1 74 74 PHE C C 74 175.380 175.380 175.277 0.103 19274 5796 1 14 . 1 1 74 74 PHE CA C 74 57.381 57.381 57.410 -0.029 19274 5797 1 14 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.466 0.944 19274 5798 1 14 . 1 1 74 74 PHE H H 74 7.830 7.830 7.754 0.076 19274 5799 1 14 . 1 1 75 75 LEU N N 75 120.310 120.310 115.364 4.946 19274 5800 1 14 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.676 -0.526 19274 5801 1 14 . 1 1 75 75 LEU C C 75 176.640 176.640 176.847 -0.207 19274 5802 1 14 . 1 1 75 75 LEU CA C 75 55.451 55.451 53.883 1.568 19274 5803 1 14 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.643 0.147 19274 5804 1 14 . 1 1 75 75 LEU H H 75 7.270 7.270 7.255 0.015 19274 5805 1 14 . 1 1 76 76 TRP N N 76 119.350 119.350 122.872 -3.522 19274 5806 1 14 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.566 0.244 19274 5807 1 14 . 1 1 76 76 TRP C C 76 175.050 175.050 176.983 -1.933 19274 5808 1 14 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.209 -0.128 19274 5809 1 14 . 1 1 76 76 TRP CB C 76 29.700 29.700 29.455 0.245 19274 5810 1 14 . 1 1 76 76 TRP H H 76 7.870 7.870 7.806 0.064 19274 5811 1 15 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.548 -0.478 19274 5812 1 15 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.093 1.667 19274 5813 1 15 . 1 1 4 4 MET N N 4 120.140 120.140 124.860 -4.720 19274 5814 1 15 . 1 1 4 4 MET HA H 4 4.390 4.390 4.381 0.009 19274 5815 1 15 . 1 1 4 4 MET CA C 4 55.160 55.160 53.929 1.231 19274 5816 1 15 . 1 1 4 4 MET CB C 4 32.400 32.400 30.139 2.261 19274 5817 1 15 . 1 1 4 4 MET H H 4 8.380 8.380 8.580 -0.200 19274 5818 1 15 . 1 1 5 5 ASN N N 5 119.370 119.370 122.346 -2.976 19274 5819 1 15 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.031 0.639 19274 5820 1 15 . 1 1 5 5 ASN CB C 5 38.690 38.690 40.857 -2.167 19274 5821 1 15 . 1 1 5 5 ASN H H 5 8.360 8.360 8.115 0.245 19274 5822 1 15 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.722 -0.022 19274 5823 1 15 . 1 1 6 6 HIS C C 6 174.900 174.900 174.725 0.175 19274 5824 1 15 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.377 -0.277 19274 5825 1 15 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.980 -0.060 19274 5826 1 15 . 1 1 7 7 ILE N N 7 121.430 121.430 124.834 -3.404 19274 5827 1 15 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.398 -0.318 19274 5828 1 15 . 1 1 7 7 ILE C C 7 175.940 175.940 174.526 1.414 19274 5829 1 15 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.635 1.076 19274 5830 1 15 . 1 1 7 7 ILE CB C 7 38.560 38.560 40.270 -1.710 19274 5831 1 15 . 1 1 7 7 ILE H H 7 8.090 8.090 8.451 -0.361 19274 5832 1 15 . 1 1 8 8 ASN N N 8 121.280 121.280 128.029 -6.749 19274 5833 1 15 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.879 0.001 19274 5834 1 15 . 1 1 8 8 ASN C C 8 175.360 175.360 174.641 0.719 19274 5835 1 15 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.393 0.237 19274 5836 1 15 . 1 1 8 8 ASN CB C 8 39.590 39.590 37.975 1.615 19274 5837 1 15 . 1 1 8 8 ASN H H 8 8.520 8.520 8.760 -0.240 19274 5838 1 15 . 1 1 9 9 THR N N 9 112.710 112.710 119.176 -6.466 19274 5839 1 15 . 1 1 9 9 THR HA H 9 4.370 4.370 4.697 -0.327 19274 5840 1 15 . 1 1 9 9 THR C C 9 174.690 174.690 174.303 0.387 19274 5841 1 15 . 1 1 9 9 THR CA C 9 62.100 62.100 60.421 1.679 19274 5842 1 15 . 1 1 9 9 THR CB C 9 71.021 71.021 71.199 -0.178 19274 5843 1 15 . 1 1 9 9 THR H H 9 8.020 8.020 8.113 -0.093 19274 5844 1 15 . 1 1 10 10 LYS N N 10 122.130 122.130 121.546 0.584 19274 5845 1 15 . 1 1 10 10 LYS HA H 10 3.260 3.260 4.032 -0.772 19274 5846 1 15 . 1 1 10 10 LYS C C 10 177.710 177.710 177.413 0.297 19274 5847 1 15 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.364 2.836 19274 5848 1 15 . 1 1 10 10 LYS CB C 10 32.070 32.070 32.376 -0.306 19274 5849 1 15 . 1 1 10 10 LYS H H 10 8.390 8.390 8.688 -0.298 19274 5850 1 15 . 1 1 11 11 ALA N N 11 118.760 118.760 124.619 -5.859 19274 5851 1 15 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.927 0.113 19274 5852 1 15 . 1 1 11 11 ALA C C 11 180.540 180.540 179.522 1.018 19274 5853 1 15 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.492 -0.501 19274 5854 1 15 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.219 -0.169 19274 5855 1 15 . 1 1 11 11 ALA H H 11 8.120 8.120 7.941 0.179 19274 5856 1 15 . 1 1 12 12 GLN N N 12 116.840 116.840 116.697 0.143 19274 5857 1 15 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.095 -0.055 19274 5858 1 15 . 1 1 12 12 GLN C C 12 178.940 178.940 178.275 0.665 19274 5859 1 15 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.503 0.058 19274 5860 1 15 . 1 1 12 12 GLN CB C 12 29.120 29.120 27.937 1.183 19274 5861 1 15 . 1 1 12 12 GLN H H 12 7.700 7.700 8.587 -0.887 19274 5862 1 15 . 1 1 13 13 VAL N N 13 121.610 121.610 119.864 1.746 19274 5863 1 15 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.779 -0.319 19274 5864 1 15 . 1 1 13 13 VAL C C 13 176.920 176.920 177.310 -0.390 19274 5865 1 15 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.057 2.434 19274 5866 1 15 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.716 -0.406 19274 5867 1 15 . 1 1 13 13 VAL H H 13 7.990 7.990 7.274 0.716 19274 5868 1 15 . 1 1 14 14 ILE N N 14 118.850 118.850 120.684 -1.834 19274 5869 1 15 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.863 -0.063 19274 5870 1 15 . 1 1 14 14 ILE C C 14 178.130 178.130 178.018 0.112 19274 5871 1 15 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.397 0.013 19274 5872 1 15 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.718 -0.548 19274 5873 1 15 . 1 1 14 14 ILE H H 14 8.220 8.220 7.953 0.267 19274 5874 1 15 . 1 1 15 15 GLU N N 15 118.090 118.090 118.787 -0.697 19274 5875 1 15 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.061 -0.101 19274 5876 1 15 . 1 1 15 15 GLU C C 15 178.310 178.310 178.751 -0.441 19274 5877 1 15 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.430 0.910 19274 5878 1 15 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.564 0.697 19274 5879 1 15 . 1 1 15 15 GLU H H 15 7.940 7.940 8.016 -0.076 19274 5880 1 15 . 1 1 16 16 ALA N N 16 120.860 120.860 122.304 -1.444 19274 5881 1 15 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.102 0.028 19274 5882 1 15 . 1 1 16 16 ALA C C 16 180.840 180.840 179.926 0.914 19274 5883 1 15 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.852 -0.051 19274 5884 1 15 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.024 -0.234 19274 5885 1 15 . 1 1 16 16 ALA H H 16 7.560 7.560 7.456 0.104 19274 5886 1 15 . 1 1 17 17 PHE N N 17 116.830 116.830 117.047 -0.217 19274 5887 1 15 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.149 0.241 19274 5888 1 15 . 1 1 17 17 PHE C C 17 177.550 177.550 177.686 -0.136 19274 5889 1 15 . 1 1 17 17 PHE CA C 17 59.931 59.931 62.041 -2.110 19274 5890 1 15 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.146 -0.256 19274 5891 1 15 . 1 1 17 17 PHE H H 17 7.730 7.730 7.738 -0.008 19274 5892 1 15 . 1 1 18 18 LYS N N 18 119.360 119.360 119.400 -0.040 19274 5893 1 15 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.078 -0.108 19274 5894 1 15 . 1 1 18 18 LYS C C 18 178.860 178.860 178.619 0.241 19274 5895 1 15 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.439 0.192 19274 5896 1 15 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.285 0.175 19274 5897 1 15 . 1 1 18 18 LYS H H 18 8.290 8.290 7.424 0.866 19274 5898 1 15 . 1 1 19 19 VAL N N 19 116.479 116.479 118.919 -2.440 19274 5899 1 15 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.725 -0.075 19274 5900 1 15 . 1 1 19 19 VAL C C 19 177.020 177.020 177.498 -0.478 19274 5901 1 15 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.868 -0.817 19274 5902 1 15 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.670 0.320 19274 5903 1 15 . 1 1 19 19 VAL H H 19 7.400 7.400 7.712 -0.312 19274 5904 1 15 . 1 1 20 20 PHE N N 20 118.120 118.120 119.824 -1.704 19274 5905 1 15 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.128 0.202 19274 5906 1 15 . 1 1 20 20 PHE C C 20 175.750 175.750 176.076 -0.326 19274 5907 1 15 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.366 -0.575 19274 5908 1 15 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.425 0.555 19274 5909 1 15 . 1 1 20 20 PHE H H 20 7.260 7.260 7.463 -0.203 19274 5910 1 15 . 1 1 21 21 ASP N N 21 120.640 120.640 119.367 1.273 19274 5911 1 15 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.459 0.671 19274 5912 1 15 . 1 1 21 21 ASP C C 21 176.520 176.520 176.608 -0.088 19274 5913 1 15 . 1 1 21 21 ASP CA C 21 52.540 52.540 54.362 -1.822 19274 5914 1 15 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.667 -0.687 19274 5915 1 15 . 1 1 21 21 ASP H H 21 7.910 7.910 8.092 -0.182 19274 5916 1 15 . 1 1 22 22 ARG N N 22 124.740 124.740 124.839 -0.099 19274 5917 1 15 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.348 -0.217 19274 5918 1 15 . 1 1 22 22 ARG C C 22 177.980 177.980 176.822 1.158 19274 5919 1 15 . 1 1 22 22 ARG CA C 22 58.431 58.431 55.916 2.515 19274 5920 1 15 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.138 0.252 19274 5921 1 15 . 1 1 22 22 ARG H H 22 8.120 8.120 8.234 -0.114 19274 5922 1 15 . 1 1 23 23 ASP N N 23 116.400 116.400 118.206 -1.806 19274 5923 1 15 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.663 0.087 19274 5924 1 15 . 1 1 23 23 ASP C C 23 176.750 176.750 177.203 -0.453 19274 5925 1 15 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.667 0.054 19274 5926 1 15 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.407 -0.187 19274 5927 1 15 . 1 1 23 23 ASP H H 23 8.670 8.670 7.809 0.861 19274 5928 1 15 . 1 1 24 24 GLY N N 24 110.310 110.310 108.720 1.590 19274 5929 1 15 . 1 1 24 24 GLY C C 24 175.410 175.410 175.052 0.358 19274 5930 1 15 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.187 1.877 19274 5931 1 15 . 1 1 24 24 GLY H H 24 8.000 8.000 8.100 -0.100 19274 5932 1 15 . 1 1 25 25 ASN N N 25 118.870 118.870 118.857 0.013 19274 5933 1 15 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.396 0.464 19274 5934 1 15 . 1 1 25 25 ASN C C 25 176.610 176.610 176.109 0.501 19274 5935 1 15 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.381 -1.231 19274 5936 1 15 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.618 0.812 19274 5937 1 15 . 1 1 25 25 ASN H H 25 9.250 9.250 8.465 0.785 19274 5938 1 15 . 1 1 26 26 GLY N N 26 110.130 110.130 106.372 3.758 19274 5939 1 15 . 1 1 26 26 GLY C C 26 173.300 173.300 172.789 0.511 19274 5940 1 15 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.498 0.092 19274 5941 1 15 . 1 1 26 26 GLY H H 26 10.110 10.110 8.266 1.844 19274 5942 1 15 . 1 1 27 27 TYR N N 27 118.030 118.030 117.160 0.870 19274 5943 1 15 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.560 0.090 19274 5944 1 15 . 1 1 27 27 TYR C C 27 176.130 176.130 174.178 1.952 19274 5945 1 15 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.742 1.549 19274 5946 1 15 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.910 0.580 19274 5947 1 15 . 1 1 27 27 TYR H H 27 8.010 8.010 7.212 0.798 19274 5948 1 15 . 1 1 28 28 VAL N N 28 111.260 111.260 120.324 -9.064 19274 5949 1 15 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.729 0.411 19274 5950 1 15 . 1 1 28 28 VAL C C 28 175.330 175.330 176.500 -1.170 19274 5951 1 15 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.349 -1.258 19274 5952 1 15 . 1 1 28 28 VAL CB C 28 36.340 36.340 36.171 0.169 19274 5953 1 15 . 1 1 28 28 VAL H H 28 8.810 8.810 8.773 0.037 19274 5954 1 15 . 1 1 29 29 THR N N 29 111.560 111.560 115.005 -3.445 19274 5955 1 15 . 1 1 29 29 THR HA H 29 4.680 4.680 4.331 0.349 19274 5956 1 15 . 1 1 29 29 THR C C 29 176.260 176.260 175.958 0.302 19274 5957 1 15 . 1 1 29 29 THR CA C 29 60.761 60.761 62.404 -1.643 19274 5958 1 15 . 1 1 29 29 THR CB C 29 69.981 69.981 69.759 0.222 19274 5959 1 15 . 1 1 29 29 THR H H 29 7.450 7.450 8.476 -1.026 19274 5960 1 15 . 1 1 30 30 VAL N N 30 119.990 119.990 121.669 -1.679 19274 5961 1 15 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.849 -0.289 19274 5962 1 15 . 1 1 30 30 VAL C C 30 177.080 177.080 176.668 0.412 19274 5963 1 15 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.817 1.124 19274 5964 1 15 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.102 -0.702 19274 5965 1 15 . 1 1 30 30 VAL H H 30 7.990 7.990 8.075 -0.085 19274 5966 1 15 . 1 1 31 31 ASP N N 31 117.730 117.730 120.739 -3.009 19274 5967 1 15 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.248 0.072 19274 5968 1 15 . 1 1 31 31 ASP C C 31 178.650 178.650 177.761 0.889 19274 5969 1 15 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.592 -0.181 19274 5970 1 15 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.853 -0.143 19274 5971 1 15 . 1 1 31 31 ASP H H 31 8.060 8.060 8.230 -0.170 19274 5972 1 15 . 1 1 32 32 TYR N N 32 121.060 121.060 119.792 1.268 19274 5973 1 15 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.003 0.197 19274 5974 1 15 . 1 1 32 32 TYR C C 32 177.040 177.040 177.122 -0.082 19274 5975 1 15 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.488 0.683 19274 5976 1 15 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.029 -0.189 19274 5977 1 15 . 1 1 32 32 TYR H H 32 7.760 7.760 7.389 0.371 19274 5978 1 15 . 1 1 33 33 LEU N N 33 120.480 120.480 120.851 -0.371 19274 5979 1 15 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.102 -0.152 19274 5980 1 15 . 1 1 33 33 LEU C C 33 178.060 178.060 178.583 -0.523 19274 5981 1 15 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.762 0.018 19274 5982 1 15 . 1 1 33 33 LEU CB C 33 42.140 42.140 41.990 0.150 19274 5983 1 15 . 1 1 33 33 LEU H H 33 8.170 8.170 7.665 0.505 19274 5984 1 15 . 1 1 34 34 ARG N N 34 115.900 115.900 117.545 -1.645 19274 5985 1 15 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.989 -0.299 19274 5986 1 15 . 1 1 34 34 ARG C C 34 178.210 178.210 178.818 -0.608 19274 5987 1 15 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.430 0.951 19274 5988 1 15 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.071 0.259 19274 5989 1 15 . 1 1 34 34 ARG H H 34 8.260 8.260 7.599 0.661 19274 5990 1 15 . 1 1 35 35 LYS N N 35 119.800 119.800 119.613 0.187 19274 5991 1 15 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.970 -0.010 19274 5992 1 15 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.335 0.516 19274 5993 1 15 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.178 0.432 19274 5994 1 15 . 1 1 35 35 LYS H H 35 7.460 7.460 7.187 0.273 19274 5995 1 15 . 1 1 36 36 VAL N N 36 119.380 119.380 119.518 -0.138 19274 5996 1 15 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.889 -0.389 19274 5997 1 15 . 1 1 36 36 VAL C C 36 178.790 178.790 177.648 1.142 19274 5998 1 15 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.476 1.715 19274 5999 1 15 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.083 0.737 19274 6000 1 15 . 1 1 36 36 VAL H H 36 8.020 8.020 7.308 0.712 19274 6001 1 15 . 1 1 37 37 LEU N N 37 116.970 116.970 118.117 -1.147 19274 6002 1 15 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.226 -0.166 19274 6003 1 15 . 1 1 37 37 LEU C C 37 179.560 179.560 178.604 0.956 19274 6004 1 15 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.447 1.544 19274 6005 1 15 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.114 -0.103 19274 6006 1 15 . 1 1 37 37 LEU H H 37 8.250 8.250 7.528 0.722 19274 6007 1 15 . 1 1 38 38 ASN N N 38 116.710 116.710 118.944 -2.234 19274 6008 1 15 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.468 0.112 19274 6009 1 15 . 1 1 38 38 ASN C C 38 177.520 177.520 176.464 1.056 19274 6010 1 15 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.305 -0.355 19274 6011 1 15 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.957 0.133 19274 6012 1 15 . 1 1 38 38 ASN H H 38 8.120 8.120 7.840 0.280 19274 6013 1 15 . 1 1 39 39 GLU N N 39 118.700 118.700 117.734 0.966 19274 6014 1 15 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.182 0.068 19274 6015 1 15 . 1 1 39 39 GLU C C 39 177.680 177.680 178.603 -0.923 19274 6016 1 15 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.333 -0.532 19274 6017 1 15 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.524 0.046 19274 6018 1 15 . 1 1 39 39 GLU H H 39 7.800 7.800 7.634 0.166 19274 6019 1 15 . 1 1 40 40 LEU N N 40 118.760 118.760 118.782 -0.022 19274 6020 1 15 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.427 -0.057 19274 6021 1 15 . 1 1 40 40 LEU C C 40 177.940 177.940 178.771 -0.831 19274 6022 1 15 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.311 0.440 19274 6023 1 15 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.342 -0.212 19274 6024 1 15 . 1 1 40 40 LEU H H 40 7.710 7.710 7.457 0.253 19274 6025 1 15 . 1 1 41 41 GLY N N 41 106.700 106.700 107.188 -0.488 19274 6026 1 15 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.965 1.135 19274 6027 1 15 . 1 1 41 41 GLY H H 41 7.780 7.780 7.689 0.091 19274 6028 1 15 . 1 1 42 42 ASP N N 42 120.920 120.920 121.453 -0.533 19274 6029 1 15 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.498 0.062 19274 6030 1 15 . 1 1 42 42 ASP C C 42 176.280 176.280 177.444 -1.164 19274 6031 1 15 . 1 1 42 42 ASP CA C 42 54.891 54.891 55.969 -1.078 19274 6032 1 15 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.719 -1.309 19274 6033 1 15 . 1 1 42 42 ASP H H 42 8.440 8.440 7.780 0.660 19274 6034 1 15 . 1 1 43 43 MET N N 43 118.550 118.550 118.505 0.045 19274 6035 1 15 . 1 1 43 43 MET HA H 43 4.380 4.380 4.469 -0.089 19274 6036 1 15 . 1 1 43 43 MET C C 43 175.810 175.810 175.568 0.242 19274 6037 1 15 . 1 1 43 43 MET CA C 43 56.801 56.801 55.167 1.634 19274 6038 1 15 . 1 1 43 43 MET CB C 43 33.140 33.140 33.300 -0.160 19274 6039 1 15 . 1 1 43 43 MET H H 43 8.180 8.180 8.242 -0.062 19274 6040 1 15 . 1 1 44 44 MET N N 44 119.050 119.050 119.880 -0.830 19274 6041 1 15 . 1 1 44 44 MET HA H 44 4.870 4.870 4.780 0.090 19274 6042 1 15 . 1 1 44 44 MET CA C 44 53.170 53.170 52.124 1.046 19274 6043 1 15 . 1 1 44 44 MET CB C 44 33.870 33.870 34.314 -0.444 19274 6044 1 15 . 1 1 44 44 MET H H 44 7.920 7.920 7.212 0.708 19274 6045 1 15 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.499 0.031 19274 6046 1 15 . 1 1 45 45 PRO C C 45 177.450 177.450 176.286 1.164 19274 6047 1 15 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.889 -0.138 19274 6048 1 15 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.653 0.687 19274 6049 1 15 . 1 1 46 46 ALA N N 46 126.480 126.480 129.332 -2.852 19274 6050 1 15 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.086 0.004 19274 6051 1 15 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.846 0.685 19274 6052 1 15 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.361 0.509 19274 6053 1 15 . 1 1 46 46 ALA H H 46 8.660 8.660 8.651 0.009 19274 6054 1 15 . 1 1 47 47 ASP N N 47 115.320 115.320 117.510 -2.190 19274 6055 1 15 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.297 0.103 19274 6056 1 15 . 1 1 47 47 ASP C C 47 179.710 179.710 178.260 1.450 19274 6057 1 15 . 1 1 47 47 ASP CA C 47 56.701 56.701 56.783 -0.082 19274 6058 1 15 . 1 1 47 47 ASP CB C 47 39.690 39.690 39.673 0.017 19274 6059 1 15 . 1 1 47 47 ASP H H 47 8.840 8.840 8.804 0.036 19274 6060 1 15 . 1 1 48 48 GLU N N 48 120.590 120.590 119.941 0.649 19274 6061 1 15 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.103 0.167 19274 6062 1 15 . 1 1 48 48 GLU C C 48 178.700 178.700 179.008 -0.308 19274 6063 1 15 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.246 -0.725 19274 6064 1 15 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.412 0.488 19274 6065 1 15 . 1 1 48 48 GLU H H 48 7.580 7.580 8.750 -1.170 19274 6066 1 15 . 1 1 49 49 ILE N N 49 119.990 119.990 119.360 0.630 19274 6067 1 15 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.996 -0.216 19274 6068 1 15 . 1 1 49 49 ILE C C 49 177.640 177.640 178.204 -0.564 19274 6069 1 15 . 1 1 49 49 ILE CA C 49 65.131 65.131 64.419 0.711 19274 6070 1 15 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.055 -0.355 19274 6071 1 15 . 1 1 49 49 ILE H H 49 7.690 7.690 7.274 0.416 19274 6072 1 15 . 1 1 50 50 GLU N N 50 117.290 117.290 119.629 -2.339 19274 6073 1 15 . 1 1 50 50 GLU HA H 50 3.970 3.970 3.803 0.167 19274 6074 1 15 . 1 1 50 50 GLU C C 50 179.400 179.400 178.747 0.653 19274 6075 1 15 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.603 -0.422 19274 6076 1 15 . 1 1 50 50 GLU CB C 50 28.650 28.650 28.731 -0.081 19274 6077 1 15 . 1 1 50 50 GLU H H 50 8.040 8.040 8.185 -0.145 19274 6078 1 15 . 1 1 51 51 GLU N N 51 119.160 119.160 118.880 0.280 19274 6079 1 15 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.871 0.349 19274 6080 1 15 . 1 1 51 51 GLU C C 51 179.810 179.810 179.189 0.621 19274 6081 1 15 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.291 0.160 19274 6082 1 15 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.523 -0.213 19274 6083 1 15 . 1 1 51 51 GLU H H 51 7.750 7.750 7.776 -0.026 19274 6084 1 15 . 1 1 52 52 MET N N 52 118.780 118.780 116.636 2.144 19274 6085 1 15 . 1 1 52 52 MET HA H 52 4.200 4.200 4.558 -0.358 19274 6086 1 15 . 1 1 52 52 MET CA C 52 59.191 59.191 58.726 0.465 19274 6087 1 15 . 1 1 52 52 MET CB C 52 33.580 33.580 33.194 0.386 19274 6088 1 15 . 1 1 52 52 MET H H 52 7.998 7.998 7.404 0.594 19274 6089 1 15 . 1 1 53 53 ILE N N 53 120.910 120.910 120.381 0.529 19274 6090 1 15 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.303 0.227 19274 6091 1 15 . 1 1 53 53 ILE C C 53 177.086 177.086 177.994 -0.908 19274 6092 1 15 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.074 1.595 19274 6093 1 15 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.738 -0.058 19274 6094 1 15 . 1 1 53 53 ILE H H 53 8.420 8.420 8.115 0.305 19274 6095 1 15 . 1 1 54 54 TYR N N 54 119.030 119.030 117.338 1.692 19274 6096 1 15 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.410 -0.110 19274 6097 1 15 . 1 1 54 54 TYR C C 54 177.910 177.910 177.068 0.842 19274 6098 1 15 . 1 1 54 54 TYR CA C 54 60.771 60.771 56.938 3.833 19274 6099 1 15 . 1 1 54 54 TYR CB C 54 37.550 37.550 36.800 0.750 19274 6100 1 15 . 1 1 54 54 TYR H H 54 7.850 7.850 8.103 -0.253 19274 6101 1 15 . 1 1 55 55 GLU N N 55 115.700 115.700 118.072 -2.372 19274 6102 1 15 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.319 -0.419 19274 6103 1 15 . 1 1 55 55 GLU C C 55 178.280 178.280 177.313 0.967 19274 6104 1 15 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.225 1.166 19274 6105 1 15 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.930 -0.420 19274 6106 1 15 . 1 1 55 55 GLU H H 55 7.850 7.850 7.676 0.174 19274 6107 1 15 . 1 1 56 56 ALA N N 56 119.710 119.710 121.008 -1.298 19274 6108 1 15 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.173 0.217 19274 6109 1 15 . 1 1 56 56 ALA C C 56 177.670 177.670 176.653 1.017 19274 6110 1 15 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.560 -0.390 19274 6111 1 15 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.399 0.591 19274 6112 1 15 . 1 1 56 56 ALA H H 56 8.009 8.009 7.375 0.634 19274 6113 1 15 . 1 1 57 57 ASP N N 57 117.020 117.020 115.726 1.294 19274 6114 1 15 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.974 0.366 19274 6115 1 15 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.947 0.363 19274 6116 1 15 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.110 -1.240 19274 6117 1 15 . 1 1 57 57 ASP H H 57 8.020 8.020 7.788 0.232 19274 6118 1 15 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.478 -0.168 19274 6119 1 15 . 1 1 58 58 PRO C C 58 178.470 178.470 177.510 0.960 19274 6120 1 15 . 1 1 58 58 PRO CA C 58 65.331 65.331 63.739 1.592 19274 6121 1 15 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.472 -0.842 19274 6122 1 15 . 1 1 59 59 GLN N N 59 115.810 115.810 118.985 -3.175 19274 6123 1 15 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.156 0.354 19274 6124 1 15 . 1 1 59 59 GLN C C 59 176.290 176.290 175.879 0.411 19274 6125 1 15 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.896 -1.015 19274 6126 1 15 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.873 -1.293 19274 6127 1 15 . 1 1 59 59 GLN H H 59 8.750 8.750 7.965 0.785 19274 6128 1 15 . 1 1 60 60 ASN N N 60 118.250 118.250 115.244 3.006 19274 6129 1 15 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.385 0.015 19274 6130 1 15 . 1 1 60 60 ASN C C 60 175.330 175.330 174.813 0.517 19274 6131 1 15 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.149 1.262 19274 6132 1 15 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.568 -0.798 19274 6133 1 15 . 1 1 60 60 ASN H H 60 8.350 8.350 8.359 -0.009 19274 6134 1 15 . 1 1 61 61 SER N N 61 118.650 118.650 115.330 3.320 19274 6135 1 15 . 1 1 61 61 SER HA H 61 4.300 4.300 4.505 -0.205 19274 6136 1 15 . 1 1 61 61 SER C C 61 176.810 176.810 175.826 0.984 19274 6137 1 15 . 1 1 61 61 SER CA C 61 60.881 60.881 59.867 1.014 19274 6138 1 15 . 1 1 61 61 SER CB C 61 65.031 65.031 64.233 0.798 19274 6139 1 15 . 1 1 61 61 SER H H 61 9.990 9.990 8.335 1.655 19274 6140 1 15 . 1 1 62 62 GLY N N 62 112.630 112.630 109.367 3.263 19274 6141 1 15 . 1 1 62 62 GLY C C 62 173.960 173.960 172.933 1.027 19274 6142 1 15 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.332 -0.002 19274 6143 1 15 . 1 1 62 62 GLY H H 62 10.440 10.440 8.174 2.266 19274 6144 1 15 . 1 1 63 63 TYR N N 63 121.250 121.250 117.644 3.606 19274 6145 1 15 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.944 0.306 19274 6146 1 15 . 1 1 63 63 TYR C C 63 173.900 173.900 173.966 -0.066 19274 6147 1 15 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.368 -0.097 19274 6148 1 15 . 1 1 63 63 TYR CB C 63 42.760 42.760 42.697 0.063 19274 6149 1 15 . 1 1 63 63 TYR H H 63 8.180 8.180 7.597 0.583 19274 6150 1 15 . 1 1 64 64 VAL N N 64 115.490 115.490 117.603 -2.113 19274 6151 1 15 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.402 0.078 19274 6152 1 15 . 1 1 64 64 VAL C C 64 174.240 174.240 173.579 0.661 19274 6153 1 15 . 1 1 64 64 VAL CA C 64 60.181 60.181 60.630 -0.449 19274 6154 1 15 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.155 1.435 19274 6155 1 15 . 1 1 64 64 VAL H H 64 8.930 8.930 8.633 0.297 19274 6156 1 15 . 1 1 65 65 GLN N N 65 128.370 128.370 127.228 1.142 19274 6157 1 15 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.420 0.010 19274 6158 1 15 . 1 1 65 65 GLN C C 65 177.110 177.110 176.661 0.449 19274 6159 1 15 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.067 0.104 19274 6160 1 15 . 1 1 65 65 GLN CB C 65 27.790 27.790 28.175 -0.385 19274 6161 1 15 . 1 1 65 65 GLN H H 65 8.870 8.870 8.607 0.263 19274 6162 1 15 . 1 1 66 66 TYR N N 66 124.870 124.870 122.963 1.907 19274 6163 1 15 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.946 0.064 19274 6164 1 15 . 1 1 66 66 TYR C C 66 176.650 176.650 176.854 -0.204 19274 6165 1 15 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.434 -0.153 19274 6166 1 15 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.979 0.531 19274 6167 1 15 . 1 1 66 66 TYR H H 66 7.490 7.490 8.435 -0.945 19274 6168 1 15 . 1 1 67 67 GLU N N 67 125.080 125.080 119.496 5.584 19274 6169 1 15 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.809 0.141 19274 6170 1 15 . 1 1 67 67 GLU C C 67 179.630 179.630 177.835 1.795 19274 6171 1 15 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.559 1.182 19274 6172 1 15 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.880 0.030 19274 6173 1 15 . 1 1 67 67 GLU H H 67 9.010 9.010 8.077 0.933 19274 6174 1 15 . 1 1 68 68 THR N N 68 114.620 114.620 114.639 -0.019 19274 6175 1 15 . 1 1 68 68 THR HA H 68 4.000 4.000 4.042 -0.042 19274 6176 1 15 . 1 1 68 68 THR C C 68 176.510 176.510 176.329 0.181 19274 6177 1 15 . 1 1 68 68 THR CA C 68 64.921 64.921 66.098 -1.177 19274 6178 1 15 . 1 1 68 68 THR CB C 68 68.451 68.451 68.704 -0.253 19274 6179 1 15 . 1 1 68 68 THR H H 68 7.550 7.550 7.144 0.406 19274 6180 1 15 . 1 1 69 69 PHE N N 69 122.710 122.710 121.935 0.775 19274 6181 1 15 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.250 -0.120 19274 6182 1 15 . 1 1 69 69 PHE C C 69 177.160 177.160 176.819 0.341 19274 6183 1 15 . 1 1 69 69 PHE CA C 69 61.791 61.791 61.124 0.667 19274 6184 1 15 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.324 0.746 19274 6185 1 15 . 1 1 69 69 PHE H H 69 7.740 7.740 8.266 -0.526 19274 6186 1 15 . 1 1 70 70 VAL N N 70 116.340 116.340 117.611 -1.271 19274 6187 1 15 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.533 0.157 19274 6188 1 15 . 1 1 70 70 VAL C C 70 178.010 178.010 178.402 -0.392 19274 6189 1 15 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.912 0.479 19274 6190 1 15 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.854 0.766 19274 6191 1 15 . 1 1 70 70 VAL H H 70 8.600 8.600 7.932 0.668 19274 6192 1 15 . 1 1 71 71 GLY N N 71 105.990 105.990 107.226 -1.236 19274 6193 1 15 . 1 1 71 71 GLY C C 71 174.980 174.980 174.890 0.090 19274 6194 1 15 . 1 1 71 71 GLY CA C 71 46.750 46.750 46.667 0.083 19274 6195 1 15 . 1 1 71 71 GLY H H 71 7.690 7.690 7.907 -0.217 19274 6196 1 15 . 1 1 72 72 MET N N 72 117.740 117.740 116.962 0.778 19274 6197 1 15 . 1 1 72 72 MET HA H 72 4.260 4.260 4.596 -0.336 19274 6198 1 15 . 1 1 72 72 MET C C 72 176.400 176.400 175.939 0.461 19274 6199 1 15 . 1 1 72 72 MET CA C 72 56.611 56.611 56.098 0.513 19274 6200 1 15 . 1 1 72 72 MET CB C 72 33.000 33.000 33.448 -0.448 19274 6201 1 15 . 1 1 72 72 MET H H 72 7.450 7.450 7.370 0.080 19274 6202 1 15 . 1 1 73 73 LEU N N 73 118.370 118.370 120.888 -2.518 19274 6203 1 15 . 1 1 73 73 LEU HA H 73 4.020 4.020 4.053 -0.033 19274 6204 1 15 . 1 1 73 73 LEU C C 73 176.700 176.700 176.380 0.320 19274 6205 1 15 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.135 -0.614 19274 6206 1 15 . 1 1 73 73 LEU CB C 73 43.100 43.100 43.014 0.086 19274 6207 1 15 . 1 1 73 73 LEU H H 73 7.380 7.380 7.166 0.214 19274 6208 1 15 . 1 1 74 74 PHE N N 74 117.280 117.280 118.117 -0.837 19274 6209 1 15 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.070 0.420 19274 6210 1 15 . 1 1 74 74 PHE C C 74 175.380 175.380 176.412 -1.032 19274 6211 1 15 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.111 -0.730 19274 6212 1 15 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.067 0.343 19274 6213 1 15 . 1 1 74 74 PHE H H 74 7.830 7.830 7.687 0.143 19274 6214 1 15 . 1 1 75 75 LEU N N 75 120.310 120.310 115.477 4.833 19274 6215 1 15 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.439 -0.289 19274 6216 1 15 . 1 1 75 75 LEU C C 75 176.640 176.640 176.948 -0.308 19274 6217 1 15 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.022 0.429 19274 6218 1 15 . 1 1 75 75 LEU CB C 75 41.790 41.790 40.672 1.118 19274 6219 1 15 . 1 1 75 75 LEU H H 75 7.270 7.270 7.736 -0.466 19274 6220 1 15 . 1 1 76 76 TRP N N 76 119.350 119.350 121.506 -2.156 19274 6221 1 15 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.407 0.404 19274 6222 1 15 . 1 1 76 76 TRP C C 76 175.050 175.050 176.500 -1.450 19274 6223 1 15 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.289 -0.208 19274 6224 1 15 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.508 2.192 19274 6225 1 15 . 1 1 76 76 TRP H H 76 7.870 7.870 7.384 0.486 19274 6226 1 16 . 1 1 3 3 HIS CA C 3 55.070 55.070 57.418 -2.348 19274 6227 1 16 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.227 1.533 19274 6228 1 16 . 1 1 4 4 MET N N 4 120.140 120.140 120.465 -0.325 19274 6229 1 16 . 1 1 4 4 MET HA H 4 4.390 4.390 4.587 -0.197 19274 6230 1 16 . 1 1 4 4 MET CA C 4 55.160 55.160 54.568 0.592 19274 6231 1 16 . 1 1 4 4 MET CB C 4 32.400 32.400 32.175 0.225 19274 6232 1 16 . 1 1 4 4 MET H H 4 8.380 8.380 8.240 0.140 19274 6233 1 16 . 1 1 5 5 ASN N N 5 119.370 119.370 122.322 -2.952 19274 6234 1 16 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.895 0.775 19274 6235 1 16 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.373 0.317 19274 6236 1 16 . 1 1 5 5 ASN H H 5 8.360 8.360 8.832 -0.472 19274 6237 1 16 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.381 0.319 19274 6238 1 16 . 1 1 6 6 HIS C C 6 174.900 174.900 175.452 -0.552 19274 6239 1 16 . 1 1 6 6 HIS CA C 6 56.100 56.100 57.519 -1.419 19274 6240 1 16 . 1 1 6 6 HIS CB C 6 29.920 29.920 30.239 -0.319 19274 6241 1 16 . 1 1 7 7 ILE N N 7 121.430 121.430 120.988 0.442 19274 6242 1 16 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.064 0.016 19274 6243 1 16 . 1 1 7 7 ILE C C 7 175.940 175.940 174.555 1.385 19274 6244 1 16 . 1 1 7 7 ILE CA C 7 61.711 61.711 61.646 0.065 19274 6245 1 16 . 1 1 7 7 ILE CB C 7 38.560 38.560 37.359 1.201 19274 6246 1 16 . 1 1 7 7 ILE H H 7 8.090 8.090 7.932 0.158 19274 6247 1 16 . 1 1 8 8 ASN N N 8 121.280 121.280 128.756 -7.476 19274 6248 1 16 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.978 -0.098 19274 6249 1 16 . 1 1 8 8 ASN C C 8 175.360 175.360 174.413 0.947 19274 6250 1 16 . 1 1 8 8 ASN CA C 8 53.630 53.630 52.939 0.691 19274 6251 1 16 . 1 1 8 8 ASN CB C 8 39.590 39.590 39.233 0.357 19274 6252 1 16 . 1 1 8 8 ASN H H 8 8.520 8.520 8.462 0.058 19274 6253 1 16 . 1 1 9 9 THR N N 9 112.710 112.710 117.776 -5.066 19274 6254 1 16 . 1 1 9 9 THR HA H 9 4.370 4.370 4.606 -0.236 19274 6255 1 16 . 1 1 9 9 THR C C 9 174.690 174.690 174.430 0.260 19274 6256 1 16 . 1 1 9 9 THR CA C 9 62.100 62.100 61.124 0.976 19274 6257 1 16 . 1 1 9 9 THR CB C 9 71.021 71.021 71.334 -0.313 19274 6258 1 16 . 1 1 9 9 THR H H 9 8.020 8.020 7.892 0.128 19274 6259 1 16 . 1 1 10 10 LYS N N 10 122.130 122.130 123.311 -1.181 19274 6260 1 16 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.732 -0.472 19274 6261 1 16 . 1 1 10 10 LYS C C 10 177.710 177.710 177.852 -0.142 19274 6262 1 16 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.086 2.114 19274 6263 1 16 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.217 0.853 19274 6264 1 16 . 1 1 10 10 LYS H H 10 8.390 8.390 8.680 -0.290 19274 6265 1 16 . 1 1 11 11 ALA N N 11 118.760 118.760 121.464 -2.704 19274 6266 1 16 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.048 -0.008 19274 6267 1 16 . 1 1 11 11 ALA C C 11 180.540 180.540 179.467 1.073 19274 6268 1 16 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.941 0.050 19274 6269 1 16 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.219 -0.169 19274 6270 1 16 . 1 1 11 11 ALA H H 11 8.120 8.120 8.243 -0.123 19274 6271 1 16 . 1 1 12 12 GLN N N 12 116.840 116.840 117.157 -0.317 19274 6272 1 16 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.046 -0.006 19274 6273 1 16 . 1 1 12 12 GLN C C 12 178.940 178.940 178.690 0.250 19274 6274 1 16 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.147 0.414 19274 6275 1 16 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.185 0.935 19274 6276 1 16 . 1 1 12 12 GLN H H 12 7.700 7.700 7.712 -0.012 19274 6277 1 16 . 1 1 13 13 VAL N N 13 121.610 121.610 120.246 1.364 19274 6278 1 16 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.650 -0.190 19274 6279 1 16 . 1 1 13 13 VAL C C 13 176.920 176.920 177.332 -0.412 19274 6280 1 16 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.809 1.682 19274 6281 1 16 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.642 -0.332 19274 6282 1 16 . 1 1 13 13 VAL H H 13 7.990 7.990 7.379 0.611 19274 6283 1 16 . 1 1 14 14 ILE N N 14 118.850 118.850 119.282 -0.432 19274 6284 1 16 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.994 -0.194 19274 6285 1 16 . 1 1 14 14 ILE C C 14 178.130 178.130 178.664 -0.534 19274 6286 1 16 . 1 1 14 14 ILE CA C 14 65.410 65.410 64.092 1.318 19274 6287 1 16 . 1 1 14 14 ILE CB C 14 37.170 37.170 36.708 0.462 19274 6288 1 16 . 1 1 14 14 ILE H H 14 8.220 8.220 7.445 0.775 19274 6289 1 16 . 1 1 15 15 GLU N N 15 118.090 118.090 118.397 -0.307 19274 6290 1 16 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.127 -0.167 19274 6291 1 16 . 1 1 15 15 GLU C C 15 178.310 178.310 178.916 -0.606 19274 6292 1 16 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.184 1.155 19274 6293 1 16 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.694 0.566 19274 6294 1 16 . 1 1 15 15 GLU H H 15 7.940 7.940 8.154 -0.214 19274 6295 1 16 . 1 1 16 16 ALA N N 16 120.860 120.860 122.294 -1.434 19274 6296 1 16 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.120 0.010 19274 6297 1 16 . 1 1 16 16 ALA C C 16 180.840 180.840 179.858 0.982 19274 6298 1 16 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.792 0.009 19274 6299 1 16 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.023 -0.234 19274 6300 1 16 . 1 1 16 16 ALA H H 16 7.560 7.560 7.521 0.039 19274 6301 1 16 . 1 1 17 17 PHE N N 17 116.830 116.830 117.159 -0.329 19274 6302 1 16 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.182 0.208 19274 6303 1 16 . 1 1 17 17 PHE C C 17 177.550 177.550 177.600 -0.050 19274 6304 1 16 . 1 1 17 17 PHE CA C 17 59.931 59.931 62.003 -2.072 19274 6305 1 16 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.067 -0.177 19274 6306 1 16 . 1 1 17 17 PHE H H 17 7.730 7.730 7.654 0.076 19274 6307 1 16 . 1 1 18 18 LYS N N 18 119.360 119.360 118.046 1.314 19274 6308 1 16 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.131 -0.161 19274 6309 1 16 . 1 1 18 18 LYS C C 18 178.860 178.860 178.004 0.856 19274 6310 1 16 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.093 0.539 19274 6311 1 16 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.260 0.200 19274 6312 1 16 . 1 1 18 18 LYS H H 18 8.290 8.290 7.379 0.911 19274 6313 1 16 . 1 1 19 19 VAL N N 19 116.479 116.479 117.557 -1.078 19274 6314 1 16 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.816 -0.166 19274 6315 1 16 . 1 1 19 19 VAL C C 19 177.020 177.020 177.230 -0.210 19274 6316 1 16 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.626 0.425 19274 6317 1 16 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.515 0.475 19274 6318 1 16 . 1 1 19 19 VAL H H 19 7.400 7.400 7.378 0.022 19274 6319 1 16 . 1 1 20 20 PHE N N 20 118.120 118.120 119.244 -1.124 19274 6320 1 16 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.134 0.196 19274 6321 1 16 . 1 1 20 20 PHE C C 20 175.750 175.750 176.481 -0.731 19274 6322 1 16 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.689 -0.898 19274 6323 1 16 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.472 0.508 19274 6324 1 16 . 1 1 20 20 PHE H H 20 7.260 7.260 7.268 -0.008 19274 6325 1 16 . 1 1 21 21 ASP N N 21 120.640 120.640 119.648 0.992 19274 6326 1 16 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.542 0.588 19274 6327 1 16 . 1 1 21 21 ASP C C 21 176.520 176.520 176.157 0.363 19274 6328 1 16 . 1 1 21 21 ASP CA C 21 52.540 52.540 52.765 -0.225 19274 6329 1 16 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.559 0.421 19274 6330 1 16 . 1 1 21 21 ASP H H 21 7.910 7.910 8.222 -0.312 19274 6331 1 16 . 1 1 22 22 ARG N N 22 124.740 124.740 122.039 2.701 19274 6332 1 16 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.021 0.109 19274 6333 1 16 . 1 1 22 22 ARG C C 22 177.980 177.980 177.659 0.321 19274 6334 1 16 . 1 1 22 22 ARG CA C 22 58.431 58.431 58.149 0.282 19274 6335 1 16 . 1 1 22 22 ARG CB C 22 30.390 30.390 29.937 0.453 19274 6336 1 16 . 1 1 22 22 ARG H H 22 8.120 8.120 7.558 0.562 19274 6337 1 16 . 1 1 23 23 ASP N N 23 116.400 116.400 117.552 -1.152 19274 6338 1 16 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.427 0.323 19274 6339 1 16 . 1 1 23 23 ASP C C 23 176.750 176.750 176.539 0.211 19274 6340 1 16 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.614 0.107 19274 6341 1 16 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.885 0.336 19274 6342 1 16 . 1 1 23 23 ASP H H 23 8.670 8.670 8.080 0.590 19274 6343 1 16 . 1 1 24 24 GLY N N 24 110.310 110.310 107.475 2.835 19274 6344 1 16 . 1 1 24 24 GLY C C 24 175.410 175.410 175.123 0.287 19274 6345 1 16 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.482 1.582 19274 6346 1 16 . 1 1 24 24 GLY H H 24 8.000 8.000 7.838 0.162 19274 6347 1 16 . 1 1 25 25 ASN N N 25 118.870 118.870 118.506 0.364 19274 6348 1 16 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.388 0.472 19274 6349 1 16 . 1 1 25 25 ASN C C 25 176.610 176.610 176.587 0.023 19274 6350 1 16 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.996 -0.846 19274 6351 1 16 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.707 0.723 19274 6352 1 16 . 1 1 25 25 ASN H H 25 9.250 9.250 8.379 0.871 19274 6353 1 16 . 1 1 26 26 GLY N N 26 110.130 110.130 106.142 3.988 19274 6354 1 16 . 1 1 26 26 GLY C C 26 173.300 173.300 173.423 -0.123 19274 6355 1 16 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.549 0.041 19274 6356 1 16 . 1 1 26 26 GLY H H 26 10.110 10.110 8.365 1.745 19274 6357 1 16 . 1 1 27 27 TYR N N 27 118.030 118.030 116.860 1.170 19274 6358 1 16 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.324 0.326 19274 6359 1 16 . 1 1 27 27 TYR C C 27 176.130 176.130 174.035 2.095 19274 6360 1 16 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.310 1.981 19274 6361 1 16 . 1 1 27 27 TYR CB C 27 41.490 41.490 41.307 0.183 19274 6362 1 16 . 1 1 27 27 TYR H H 27 8.010 8.010 6.939 1.071 19274 6363 1 16 . 1 1 28 28 VAL N N 28 111.260 111.260 120.363 -9.103 19274 6364 1 16 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.661 0.479 19274 6365 1 16 . 1 1 28 28 VAL C C 28 175.330 175.330 176.524 -1.194 19274 6366 1 16 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.548 -1.457 19274 6367 1 16 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.685 0.655 19274 6368 1 16 . 1 1 28 28 VAL H H 28 8.810 8.810 8.940 -0.130 19274 6369 1 16 . 1 1 29 29 THR N N 29 111.560 111.560 115.520 -3.960 19274 6370 1 16 . 1 1 29 29 THR HA H 29 4.680 4.680 4.395 0.285 19274 6371 1 16 . 1 1 29 29 THR C C 29 176.260 176.260 175.938 0.322 19274 6372 1 16 . 1 1 29 29 THR CA C 29 60.761 60.761 62.232 -1.471 19274 6373 1 16 . 1 1 29 29 THR CB C 29 69.981 69.981 69.410 0.571 19274 6374 1 16 . 1 1 29 29 THR H H 29 7.450 7.450 8.557 -1.107 19274 6375 1 16 . 1 1 30 30 VAL N N 30 119.990 119.990 121.620 -1.630 19274 6376 1 16 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.752 -0.192 19274 6377 1 16 . 1 1 30 30 VAL C C 30 177.080 177.080 176.696 0.384 19274 6378 1 16 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.315 0.626 19274 6379 1 16 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.759 -0.360 19274 6380 1 16 . 1 1 30 30 VAL H H 30 7.990 7.990 7.831 0.159 19274 6381 1 16 . 1 1 31 31 ASP N N 31 117.730 117.730 120.391 -2.661 19274 6382 1 16 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.257 0.063 19274 6383 1 16 . 1 1 31 31 ASP C C 31 178.650 178.650 177.600 1.050 19274 6384 1 16 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.630 -0.219 19274 6385 1 16 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.669 0.042 19274 6386 1 16 . 1 1 31 31 ASP H H 31 8.060 8.060 8.327 -0.267 19274 6387 1 16 . 1 1 32 32 TYR N N 32 121.060 121.060 119.887 1.173 19274 6388 1 16 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.918 0.282 19274 6389 1 16 . 1 1 32 32 TYR C C 32 177.040 177.040 177.128 -0.088 19274 6390 1 16 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.852 0.319 19274 6391 1 16 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.113 -0.273 19274 6392 1 16 . 1 1 32 32 TYR H H 32 7.760 7.760 7.670 0.090 19274 6393 1 16 . 1 1 33 33 LEU N N 33 120.480 120.480 120.567 -0.087 19274 6394 1 16 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.120 -0.170 19274 6395 1 16 . 1 1 33 33 LEU C C 33 178.060 178.060 178.836 -0.776 19274 6396 1 16 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.660 0.120 19274 6397 1 16 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.158 -0.018 19274 6398 1 16 . 1 1 33 33 LEU H H 33 8.170 8.170 7.694 0.476 19274 6399 1 16 . 1 1 34 34 ARG N N 34 115.900 115.900 118.129 -2.229 19274 6400 1 16 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.025 -0.335 19274 6401 1 16 . 1 1 34 34 ARG C C 34 178.210 178.210 178.518 -0.308 19274 6402 1 16 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.600 0.781 19274 6403 1 16 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.037 0.293 19274 6404 1 16 . 1 1 34 34 ARG H H 34 8.260 8.260 8.273 -0.013 19274 6405 1 16 . 1 1 35 35 LYS N N 35 119.800 119.800 120.298 -0.498 19274 6406 1 16 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.966 -0.006 19274 6407 1 16 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.431 0.420 19274 6408 1 16 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.277 0.333 19274 6409 1 16 . 1 1 35 35 LYS H H 35 7.460 7.460 7.497 -0.037 19274 6410 1 16 . 1 1 36 36 VAL N N 36 119.380 119.380 118.769 0.611 19274 6411 1 16 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.831 -0.331 19274 6412 1 16 . 1 1 36 36 VAL C C 36 178.790 178.790 177.476 1.314 19274 6413 1 16 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.591 1.600 19274 6414 1 16 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.493 0.327 19274 6415 1 16 . 1 1 36 36 VAL H H 36 8.020 8.020 7.517 0.503 19274 6416 1 16 . 1 1 37 37 LEU N N 37 116.970 116.970 119.076 -2.106 19274 6417 1 16 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.156 -0.096 19274 6418 1 16 . 1 1 37 37 LEU C C 37 179.560 179.560 177.977 1.583 19274 6419 1 16 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.654 1.337 19274 6420 1 16 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.369 -0.359 19274 6421 1 16 . 1 1 37 37 LEU H H 37 8.250 8.250 7.390 0.860 19274 6422 1 16 . 1 1 38 38 ASN N N 38 116.710 116.710 117.789 -1.079 19274 6423 1 16 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.582 -0.002 19274 6424 1 16 . 1 1 38 38 ASN C C 38 177.520 177.520 178.000 -0.480 19274 6425 1 16 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.349 0.601 19274 6426 1 16 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.186 -0.096 19274 6427 1 16 . 1 1 38 38 ASN H H 38 8.120 8.120 7.961 0.159 19274 6428 1 16 . 1 1 39 39 GLU N N 39 118.700 118.700 119.418 -0.718 19274 6429 1 16 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.221 0.029 19274 6430 1 16 . 1 1 39 39 GLU C C 39 177.680 177.680 177.443 0.237 19274 6431 1 16 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.274 -0.473 19274 6432 1 16 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.605 -0.035 19274 6433 1 16 . 1 1 39 39 GLU H H 39 7.800 7.800 8.097 -0.297 19274 6434 1 16 . 1 1 40 40 LEU N N 40 118.760 118.760 119.821 -1.061 19274 6435 1 16 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.529 -0.159 19274 6436 1 16 . 1 1 40 40 LEU C C 40 177.940 177.940 176.959 0.981 19274 6437 1 16 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.632 1.119 19274 6438 1 16 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.096 0.035 19274 6439 1 16 . 1 1 40 40 LEU H H 40 7.710 7.710 7.348 0.362 19274 6440 1 16 . 1 1 41 41 GLY N N 41 106.700 106.700 108.108 -1.408 19274 6441 1 16 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.930 1.170 19274 6442 1 16 . 1 1 41 41 GLY H H 41 7.780 7.780 7.424 0.356 19274 6443 1 16 . 1 1 42 42 ASP N N 42 120.920 120.920 123.579 -2.659 19274 6444 1 16 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.437 0.123 19274 6445 1 16 . 1 1 42 42 ASP C C 42 176.280 176.280 177.522 -1.242 19274 6446 1 16 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.463 -1.572 19274 6447 1 16 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.150 -0.740 19274 6448 1 16 . 1 1 42 42 ASP H H 42 8.440 8.440 8.007 0.433 19274 6449 1 16 . 1 1 43 43 MET N N 43 118.550 118.550 115.514 3.036 19274 6450 1 16 . 1 1 43 43 MET HA H 43 4.380 4.380 4.566 -0.186 19274 6451 1 16 . 1 1 43 43 MET C C 43 175.810 175.810 175.520 0.290 19274 6452 1 16 . 1 1 43 43 MET CA C 43 56.801 56.801 55.753 1.048 19274 6453 1 16 . 1 1 43 43 MET CB C 43 33.140 33.140 32.622 0.518 19274 6454 1 16 . 1 1 43 43 MET H H 43 8.180 8.180 7.890 0.290 19274 6455 1 16 . 1 1 44 44 MET N N 44 119.050 119.050 121.507 -2.457 19274 6456 1 16 . 1 1 44 44 MET HA H 44 4.870 4.870 4.690 0.180 19274 6457 1 16 . 1 1 44 44 MET CA C 44 53.170 53.170 51.939 1.231 19274 6458 1 16 . 1 1 44 44 MET CB C 44 33.870 33.870 31.812 2.058 19274 6459 1 16 . 1 1 44 44 MET H H 44 7.920 7.920 7.522 0.398 19274 6460 1 16 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.410 0.120 19274 6461 1 16 . 1 1 45 45 PRO C C 45 177.450 177.450 176.400 1.050 19274 6462 1 16 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.000 -0.249 19274 6463 1 16 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.991 0.349 19274 6464 1 16 . 1 1 46 46 ALA N N 46 126.480 126.480 128.498 -2.018 19274 6465 1 16 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.163 -0.073 19274 6466 1 16 . 1 1 46 46 ALA CA C 46 55.531 55.531 53.907 1.624 19274 6467 1 16 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.626 0.244 19274 6468 1 16 . 1 1 46 46 ALA H H 46 8.660 8.660 8.662 -0.002 19274 6469 1 16 . 1 1 47 47 ASP N N 47 115.320 115.320 119.283 -3.963 19274 6470 1 16 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.506 -0.106 19274 6471 1 16 . 1 1 47 47 ASP C C 47 179.710 179.710 178.305 1.405 19274 6472 1 16 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.151 -1.450 19274 6473 1 16 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.350 -0.660 19274 6474 1 16 . 1 1 47 47 ASP H H 47 8.840 8.840 8.717 0.123 19274 6475 1 16 . 1 1 48 48 GLU N N 48 120.590 120.590 118.990 1.600 19274 6476 1 16 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.054 0.216 19274 6477 1 16 . 1 1 48 48 GLU C C 48 178.700 178.700 178.739 -0.039 19274 6478 1 16 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.000 -0.479 19274 6479 1 16 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.009 0.891 19274 6480 1 16 . 1 1 48 48 GLU H H 48 7.580 7.580 8.435 -0.855 19274 6481 1 16 . 1 1 49 49 ILE N N 49 119.990 119.990 120.768 -0.778 19274 6482 1 16 . 1 1 49 49 ILE HA H 49 3.780 3.780 4.062 -0.282 19274 6483 1 16 . 1 1 49 49 ILE C C 49 177.640 177.640 178.508 -0.868 19274 6484 1 16 . 1 1 49 49 ILE CA C 49 65.131 65.131 64.915 0.216 19274 6485 1 16 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.857 -0.157 19274 6486 1 16 . 1 1 49 49 ILE H H 49 7.690 7.690 7.964 -0.274 19274 6487 1 16 . 1 1 50 50 GLU N N 50 117.290 117.290 120.223 -2.933 19274 6488 1 16 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.119 -0.149 19274 6489 1 16 . 1 1 50 50 GLU C C 50 179.400 179.400 179.355 0.045 19274 6490 1 16 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.863 -0.682 19274 6491 1 16 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.390 -0.740 19274 6492 1 16 . 1 1 50 50 GLU H H 50 8.040 8.040 8.233 -0.193 19274 6493 1 16 . 1 1 51 51 GLU N N 51 119.160 119.160 118.864 0.296 19274 6494 1 16 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.950 0.270 19274 6495 1 16 . 1 1 51 51 GLU C C 51 179.810 179.810 179.223 0.587 19274 6496 1 16 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.656 0.795 19274 6497 1 16 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.146 0.164 19274 6498 1 16 . 1 1 51 51 GLU H H 51 7.750 7.750 8.113 -0.363 19274 6499 1 16 . 1 1 52 52 MET N N 52 118.780 118.780 118.256 0.524 19274 6500 1 16 . 1 1 52 52 MET HA H 52 4.200 4.200 4.506 -0.306 19274 6501 1 16 . 1 1 52 52 MET CA C 52 59.191 59.191 57.519 1.672 19274 6502 1 16 . 1 1 52 52 MET CB C 52 33.580 33.580 32.748 0.832 19274 6503 1 16 . 1 1 52 52 MET H H 52 7.998 7.998 7.741 0.257 19274 6504 1 16 . 1 1 53 53 ILE N N 53 120.910 120.910 120.528 0.382 19274 6505 1 16 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.299 0.231 19274 6506 1 16 . 1 1 53 53 ILE C C 53 177.086 177.086 178.025 -0.939 19274 6507 1 16 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.199 1.470 19274 6508 1 16 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.507 0.173 19274 6509 1 16 . 1 1 53 53 ILE H H 53 8.420 8.420 8.014 0.406 19274 6510 1 16 . 1 1 54 54 TYR N N 54 119.030 119.030 118.043 0.987 19274 6511 1 16 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.171 0.129 19274 6512 1 16 . 1 1 54 54 TYR C C 54 177.910 177.910 177.959 -0.049 19274 6513 1 16 . 1 1 54 54 TYR CA C 54 60.771 60.771 60.514 0.257 19274 6514 1 16 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.363 0.187 19274 6515 1 16 . 1 1 54 54 TYR H H 54 7.850 7.850 8.110 -0.260 19274 6516 1 16 . 1 1 55 55 GLU N N 55 115.700 115.700 118.066 -2.366 19274 6517 1 16 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.207 -0.307 19274 6518 1 16 . 1 1 55 55 GLU C C 55 178.280 178.280 178.014 0.266 19274 6519 1 16 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.784 0.607 19274 6520 1 16 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.737 -0.227 19274 6521 1 16 . 1 1 55 55 GLU H H 55 7.850 7.850 7.703 0.147 19274 6522 1 16 . 1 1 56 56 ALA N N 56 119.710 119.710 121.201 -1.491 19274 6523 1 16 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.241 0.149 19274 6524 1 16 . 1 1 56 56 ALA C C 56 177.670 177.670 176.859 0.811 19274 6525 1 16 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.357 -0.187 19274 6526 1 16 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.691 0.299 19274 6527 1 16 . 1 1 56 56 ALA H H 56 8.009 8.009 7.770 0.239 19274 6528 1 16 . 1 1 57 57 ASP N N 57 117.020 117.020 115.783 1.237 19274 6529 1 16 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.004 0.336 19274 6530 1 16 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.512 0.798 19274 6531 1 16 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.330 -1.460 19274 6532 1 16 . 1 1 57 57 ASP H H 57 8.020 8.020 7.855 0.165 19274 6533 1 16 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.617 -0.307 19274 6534 1 16 . 1 1 58 58 PRO C C 58 178.470 178.470 177.405 1.065 19274 6535 1 16 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.267 1.064 19274 6536 1 16 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.261 -0.631 19274 6537 1 16 . 1 1 59 59 GLN N N 59 115.810 115.810 117.182 -1.372 19274 6538 1 16 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.112 0.398 19274 6539 1 16 . 1 1 59 59 GLN C C 59 176.290 176.290 176.420 -0.130 19274 6540 1 16 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.950 -1.069 19274 6541 1 16 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.328 -0.748 19274 6542 1 16 . 1 1 59 59 GLN H H 59 8.750 8.750 8.047 0.703 19274 6543 1 16 . 1 1 60 60 ASN N N 60 118.250 118.250 115.902 2.348 19274 6544 1 16 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.373 0.027 19274 6545 1 16 . 1 1 60 60 ASN C C 60 175.330 175.330 174.817 0.513 19274 6546 1 16 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.232 0.179 19274 6547 1 16 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.053 -0.283 19274 6548 1 16 . 1 1 60 60 ASN H H 60 8.350 8.350 8.333 0.017 19274 6549 1 16 . 1 1 61 61 SER N N 61 118.650 118.650 115.182 3.468 19274 6550 1 16 . 1 1 61 61 SER HA H 61 4.300 4.300 4.575 -0.275 19274 6551 1 16 . 1 1 61 61 SER C C 61 176.810 176.810 174.793 2.017 19274 6552 1 16 . 1 1 61 61 SER CA C 61 60.881 60.881 59.225 1.656 19274 6553 1 16 . 1 1 61 61 SER CB C 61 65.031 65.031 64.267 0.764 19274 6554 1 16 . 1 1 61 61 SER H H 61 9.990 9.990 7.877 2.113 19274 6555 1 16 . 1 1 62 62 GLY N N 62 112.630 112.630 109.193 3.437 19274 6556 1 16 . 1 1 62 62 GLY C C 62 173.960 173.960 173.183 0.777 19274 6557 1 16 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.858 0.472 19274 6558 1 16 . 1 1 62 62 GLY H H 62 10.440 10.440 8.054 2.386 19274 6559 1 16 . 1 1 63 63 TYR N N 63 121.250 121.250 120.001 1.249 19274 6560 1 16 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.927 0.323 19274 6561 1 16 . 1 1 63 63 TYR C C 63 173.900 173.900 174.416 -0.516 19274 6562 1 16 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.247 0.024 19274 6563 1 16 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.127 3.633 19274 6564 1 16 . 1 1 63 63 TYR H H 63 8.180 8.180 8.198 -0.018 19274 6565 1 16 . 1 1 64 64 VAL N N 64 115.490 115.490 122.443 -6.953 19274 6566 1 16 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.436 0.044 19274 6567 1 16 . 1 1 64 64 VAL C C 64 174.240 174.240 174.433 -0.193 19274 6568 1 16 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.256 0.925 19274 6569 1 16 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.071 1.519 19274 6570 1 16 . 1 1 64 64 VAL H H 64 8.930 8.930 7.772 1.158 19274 6571 1 16 . 1 1 65 65 GLN N N 65 128.370 128.370 128.103 0.267 19274 6572 1 16 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.333 0.097 19274 6573 1 16 . 1 1 65 65 GLN C C 65 177.110 177.110 176.392 0.718 19274 6574 1 16 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.363 -0.192 19274 6575 1 16 . 1 1 65 65 GLN CB C 65 27.790 27.790 28.414 -0.624 19274 6576 1 16 . 1 1 65 65 GLN H H 65 8.870 8.870 8.619 0.251 19274 6577 1 16 . 1 1 66 66 TYR N N 66 124.870 124.870 123.086 1.784 19274 6578 1 16 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.025 -0.015 19274 6579 1 16 . 1 1 66 66 TYR C C 66 176.650 176.650 176.860 -0.210 19274 6580 1 16 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.768 -0.487 19274 6581 1 16 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.978 0.531 19274 6582 1 16 . 1 1 66 66 TYR H H 66 7.490 7.490 8.329 -0.839 19274 6583 1 16 . 1 1 67 67 GLU N N 67 125.080 125.080 118.769 6.311 19274 6584 1 16 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.980 -0.030 19274 6585 1 16 . 1 1 67 67 GLU C C 67 179.630 179.630 178.453 1.177 19274 6586 1 16 . 1 1 67 67 GLU CA C 67 60.741 60.741 58.662 2.079 19274 6587 1 16 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.263 0.647 19274 6588 1 16 . 1 1 67 67 GLU H H 67 9.010 9.010 8.362 0.648 19274 6589 1 16 . 1 1 68 68 THR N N 68 114.620 114.620 114.521 0.099 19274 6590 1 16 . 1 1 68 68 THR HA H 68 4.000 4.000 4.084 -0.084 19274 6591 1 16 . 1 1 68 68 THR C C 68 176.510 176.510 175.026 1.484 19274 6592 1 16 . 1 1 68 68 THR CA C 68 64.921 64.921 65.240 -0.319 19274 6593 1 16 . 1 1 68 68 THR CB C 68 68.451 68.451 68.724 -0.273 19274 6594 1 16 . 1 1 68 68 THR H H 68 7.550 7.550 7.928 -0.378 19274 6595 1 16 . 1 1 69 69 PHE N N 69 122.710 122.710 121.758 0.952 19274 6596 1 16 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.555 -0.425 19274 6597 1 16 . 1 1 69 69 PHE C C 69 177.160 177.160 176.298 0.862 19274 6598 1 16 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.392 1.399 19274 6599 1 16 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.542 0.528 19274 6600 1 16 . 1 1 69 69 PHE H H 69 7.740 7.740 7.732 0.008 19274 6601 1 16 . 1 1 70 70 VAL N N 70 116.340 116.340 119.374 -3.034 19274 6602 1 16 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.361 0.329 19274 6603 1 16 . 1 1 70 70 VAL C C 70 178.010 178.010 178.225 -0.215 19274 6604 1 16 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.480 -0.089 19274 6605 1 16 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.253 0.367 19274 6606 1 16 . 1 1 70 70 VAL H H 70 8.600 8.600 8.298 0.302 19274 6607 1 16 . 1 1 71 71 GLY N N 71 105.990 105.990 107.482 -1.492 19274 6608 1 16 . 1 1 71 71 GLY C C 71 174.980 174.980 175.393 -0.413 19274 6609 1 16 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.311 -0.561 19274 6610 1 16 . 1 1 71 71 GLY H H 71 7.690 7.690 7.677 0.013 19274 6611 1 16 . 1 1 72 72 MET N N 72 117.740 117.740 119.747 -2.007 19274 6612 1 16 . 1 1 72 72 MET HA H 72 4.260 4.260 4.430 -0.170 19274 6613 1 16 . 1 1 72 72 MET C C 72 176.400 176.400 178.458 -2.058 19274 6614 1 16 . 1 1 72 72 MET CA C 72 56.611 56.611 55.770 0.841 19274 6615 1 16 . 1 1 72 72 MET CB C 72 33.000 33.000 32.696 0.305 19274 6616 1 16 . 1 1 72 72 MET H H 72 7.450 7.450 7.483 -0.033 19274 6617 1 16 . 1 1 73 73 LEU N N 73 118.370 118.370 119.449 -1.079 19274 6618 1 16 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.268 0.752 19274 6619 1 16 . 1 1 73 73 LEU C C 73 176.700 176.700 177.659 -0.959 19274 6620 1 16 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.998 -1.477 19274 6621 1 16 . 1 1 73 73 LEU CB C 73 43.100 43.100 40.002 3.098 19274 6622 1 16 . 1 1 73 73 LEU H H 73 7.380 7.380 7.800 -0.420 19274 6623 1 16 . 1 1 74 74 PHE N N 74 117.280 117.280 117.397 -0.117 19274 6624 1 16 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.235 0.255 19274 6625 1 16 . 1 1 74 74 PHE C C 74 175.380 175.380 176.440 -1.060 19274 6626 1 16 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.932 -2.551 19274 6627 1 16 . 1 1 74 74 PHE CB C 74 38.410 38.410 39.059 -0.649 19274 6628 1 16 . 1 1 74 74 PHE H H 74 7.830 7.830 7.820 0.010 19274 6629 1 16 . 1 1 75 75 LEU N N 75 120.310 120.310 118.860 1.450 19274 6630 1 16 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.332 -0.182 19274 6631 1 16 . 1 1 75 75 LEU C C 75 176.640 176.640 176.591 0.049 19274 6632 1 16 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.257 1.194 19274 6633 1 16 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.508 0.282 19274 6634 1 16 . 1 1 75 75 LEU H H 75 7.270 7.270 7.158 0.112 19274 6635 1 16 . 1 1 76 76 TRP N N 76 119.350 119.350 121.742 -2.392 19274 6636 1 16 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.434 0.376 19274 6637 1 16 . 1 1 76 76 TRP C C 76 175.050 175.050 176.285 -1.235 19274 6638 1 16 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.402 -0.321 19274 6639 1 16 . 1 1 76 76 TRP CB C 76 29.700 29.700 26.899 2.801 19274 6640 1 16 . 1 1 76 76 TRP H H 76 7.870 7.870 7.252 0.618 19274 6641 1 17 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.644 -1.574 19274 6642 1 17 . 1 1 3 3 HIS CB C 3 31.760 31.760 28.681 3.079 19274 6643 1 17 . 1 1 4 4 MET N N 4 120.140 120.140 126.047 -5.907 19274 6644 1 17 . 1 1 4 4 MET HA H 4 4.390 4.390 4.402 -0.012 19274 6645 1 17 . 1 1 4 4 MET CA C 4 55.160 55.160 55.346 -0.186 19274 6646 1 17 . 1 1 4 4 MET CB C 4 32.400 32.400 34.922 -2.522 19274 6647 1 17 . 1 1 4 4 MET H H 4 8.380 8.380 7.949 0.431 19274 6648 1 17 . 1 1 5 5 ASN N N 5 119.370 119.370 122.823 -3.453 19274 6649 1 17 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.161 0.509 19274 6650 1 17 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.284 0.406 19274 6651 1 17 . 1 1 5 5 ASN H H 5 8.360 8.360 8.364 -0.004 19274 6652 1 17 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.368 0.332 19274 6653 1 17 . 1 1 6 6 HIS C C 6 174.900 174.900 175.456 -0.556 19274 6654 1 17 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.519 -0.419 19274 6655 1 17 . 1 1 6 6 HIS CB C 6 29.920 29.920 30.417 -0.497 19274 6656 1 17 . 1 1 7 7 ILE N N 7 121.430 121.430 128.871 -7.441 19274 6657 1 17 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.120 -0.040 19274 6658 1 17 . 1 1 7 7 ILE C C 7 175.940 175.940 174.502 1.438 19274 6659 1 17 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.861 0.850 19274 6660 1 17 . 1 1 7 7 ILE CB C 7 38.560 38.560 37.363 1.197 19274 6661 1 17 . 1 1 7 7 ILE H H 7 8.090 8.090 8.265 -0.175 19274 6662 1 17 . 1 1 8 8 ASN N N 8 121.280 121.280 127.696 -6.416 19274 6663 1 17 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.887 -0.007 19274 6664 1 17 . 1 1 8 8 ASN C C 8 175.360 175.360 174.888 0.472 19274 6665 1 17 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.295 0.335 19274 6666 1 17 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.876 0.714 19274 6667 1 17 . 1 1 8 8 ASN H H 8 8.520 8.520 8.144 0.376 19274 6668 1 17 . 1 1 9 9 THR N N 9 112.710 112.710 119.868 -7.158 19274 6669 1 17 . 1 1 9 9 THR HA H 9 4.370 4.370 4.552 -0.182 19274 6670 1 17 . 1 1 9 9 THR C C 9 174.690 174.690 174.553 0.137 19274 6671 1 17 . 1 1 9 9 THR CA C 9 62.100 62.100 61.798 0.302 19274 6672 1 17 . 1 1 9 9 THR CB C 9 71.021 71.021 71.690 -0.669 19274 6673 1 17 . 1 1 9 9 THR H H 9 8.020 8.020 8.182 -0.162 19274 6674 1 17 . 1 1 10 10 LYS N N 10 122.130 122.130 126.375 -4.245 19274 6675 1 17 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.759 -0.499 19274 6676 1 17 . 1 1 10 10 LYS C C 10 177.710 177.710 177.424 0.286 19274 6677 1 17 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.126 2.074 19274 6678 1 17 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.673 0.397 19274 6679 1 17 . 1 1 10 10 LYS H H 10 8.390 8.390 8.728 -0.338 19274 6680 1 17 . 1 1 11 11 ALA N N 11 118.760 118.760 122.583 -3.823 19274 6681 1 17 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.065 -0.025 19274 6682 1 17 . 1 1 11 11 ALA C C 11 180.540 180.540 179.523 1.017 19274 6683 1 17 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.790 0.201 19274 6684 1 17 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.225 -0.175 19274 6685 1 17 . 1 1 11 11 ALA H H 11 8.120 8.120 8.129 -0.009 19274 6686 1 17 . 1 1 12 12 GLN N N 12 116.840 116.840 117.970 -1.130 19274 6687 1 17 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.066 -0.026 19274 6688 1 17 . 1 1 12 12 GLN C C 12 178.940 178.940 178.548 0.392 19274 6689 1 17 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.561 -0.000 19274 6690 1 17 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.211 0.909 19274 6691 1 17 . 1 1 12 12 GLN H H 12 7.700 7.700 7.655 0.045 19274 6692 1 17 . 1 1 13 13 VAL N N 13 121.610 121.610 119.621 1.989 19274 6693 1 17 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.701 -0.241 19274 6694 1 17 . 1 1 13 13 VAL C C 13 176.920 176.920 177.616 -0.696 19274 6695 1 17 . 1 1 13 13 VAL CA C 13 66.491 66.491 65.090 1.401 19274 6696 1 17 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.736 -0.426 19274 6697 1 17 . 1 1 13 13 VAL H H 13 7.990 7.990 7.276 0.714 19274 6698 1 17 . 1 1 14 14 ILE N N 14 118.850 118.850 120.260 -1.410 19274 6699 1 17 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.955 -0.155 19274 6700 1 17 . 1 1 14 14 ILE C C 14 178.130 178.130 178.186 -0.056 19274 6701 1 17 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.332 0.078 19274 6702 1 17 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.842 -0.672 19274 6703 1 17 . 1 1 14 14 ILE H H 14 8.220 8.220 7.372 0.848 19274 6704 1 17 . 1 1 15 15 GLU N N 15 118.090 118.090 118.779 -0.689 19274 6705 1 17 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.048 -0.088 19274 6706 1 17 . 1 1 15 15 GLU C C 15 178.310 178.310 178.873 -0.563 19274 6707 1 17 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.897 0.443 19274 6708 1 17 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.897 0.363 19274 6709 1 17 . 1 1 15 15 GLU H H 15 7.940 7.940 8.081 -0.141 19274 6710 1 17 . 1 1 16 16 ALA N N 16 120.860 120.860 121.573 -0.713 19274 6711 1 17 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.075 0.055 19274 6712 1 17 . 1 1 16 16 ALA C C 16 180.840 180.840 179.212 1.628 19274 6713 1 17 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.984 -0.183 19274 6714 1 17 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.202 -0.412 19274 6715 1 17 . 1 1 16 16 ALA H H 16 7.560 7.560 7.664 -0.104 19274 6716 1 17 . 1 1 17 17 PHE N N 17 116.830 116.830 116.857 -0.027 19274 6717 1 17 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.297 0.093 19274 6718 1 17 . 1 1 17 17 PHE C C 17 177.550 177.550 177.532 0.018 19274 6719 1 17 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.509 -1.578 19274 6720 1 17 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.190 -0.300 19274 6721 1 17 . 1 1 17 17 PHE H H 17 7.730 7.730 7.473 0.257 19274 6722 1 17 . 1 1 18 18 LYS N N 18 119.360 119.360 118.966 0.394 19274 6723 1 17 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.207 -0.237 19274 6724 1 17 . 1 1 18 18 LYS C C 18 178.860 178.860 178.057 0.803 19274 6725 1 17 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.407 1.224 19274 6726 1 17 . 1 1 18 18 LYS CB C 18 32.460 32.460 31.961 0.499 19274 6727 1 17 . 1 1 18 18 LYS H H 18 8.290 8.290 7.617 0.673 19274 6728 1 17 . 1 1 19 19 VAL N N 19 116.479 116.479 119.245 -2.766 19274 6729 1 17 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.748 -0.098 19274 6730 1 17 . 1 1 19 19 VAL C C 19 177.020 177.020 177.468 -0.448 19274 6731 1 17 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.548 -0.497 19274 6732 1 17 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.841 0.148 19274 6733 1 17 . 1 1 19 19 VAL H H 19 7.400 7.400 7.550 -0.150 19274 6734 1 17 . 1 1 20 20 PHE N N 20 118.120 118.120 120.555 -2.435 19274 6735 1 17 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.175 0.155 19274 6736 1 17 . 1 1 20 20 PHE C C 20 175.750 175.750 175.664 0.086 19274 6737 1 17 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.835 -1.044 19274 6738 1 17 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.297 0.683 19274 6739 1 17 . 1 1 20 20 PHE H H 20 7.260 7.260 7.428 -0.168 19274 6740 1 17 . 1 1 21 21 ASP N N 21 120.640 120.640 118.841 1.799 19274 6741 1 17 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.415 0.715 19274 6742 1 17 . 1 1 21 21 ASP C C 21 176.520 176.520 176.576 -0.056 19274 6743 1 17 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.971 -1.431 19274 6744 1 17 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.393 -0.413 19274 6745 1 17 . 1 1 21 21 ASP H H 21 7.910 7.910 8.043 -0.133 19274 6746 1 17 . 1 1 22 22 ARG N N 22 124.740 124.740 125.375 -0.635 19274 6747 1 17 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.240 -0.110 19274 6748 1 17 . 1 1 22 22 ARG C C 22 177.980 177.980 177.367 0.613 19274 6749 1 17 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.485 0.946 19274 6750 1 17 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.490 -0.100 19274 6751 1 17 . 1 1 22 22 ARG H H 22 8.120 8.120 7.988 0.132 19274 6752 1 17 . 1 1 23 23 ASP N N 23 116.400 116.400 118.123 -1.723 19274 6753 1 17 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.529 0.221 19274 6754 1 17 . 1 1 23 23 ASP C C 23 176.750 176.750 176.991 -0.241 19274 6755 1 17 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.348 0.373 19274 6756 1 17 . 1 1 23 23 ASP CB C 23 41.220 41.220 40.840 0.380 19274 6757 1 17 . 1 1 23 23 ASP H H 23 8.670 8.670 8.292 0.378 19274 6758 1 17 . 1 1 24 24 GLY N N 24 110.310 110.310 109.488 0.822 19274 6759 1 17 . 1 1 24 24 GLY C C 24 175.410 175.410 174.748 0.662 19274 6760 1 17 . 1 1 24 24 GLY CA C 24 47.064 47.064 44.958 2.106 19274 6761 1 17 . 1 1 24 24 GLY H H 24 8.000 8.000 7.946 0.054 19274 6762 1 17 . 1 1 25 25 ASN N N 25 118.870 118.870 119.183 -0.313 19274 6763 1 17 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.429 0.431 19274 6764 1 17 . 1 1 25 25 ASN C C 25 176.610 176.610 176.515 0.095 19274 6765 1 17 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.419 -1.269 19274 6766 1 17 . 1 1 25 25 ASN CB C 25 39.430 39.430 39.325 0.105 19274 6767 1 17 . 1 1 25 25 ASN H H 25 9.250 9.250 8.672 0.578 19274 6768 1 17 . 1 1 26 26 GLY N N 26 110.130 110.130 106.359 3.771 19274 6769 1 17 . 1 1 26 26 GLY C C 26 173.300 173.300 173.368 -0.068 19274 6770 1 17 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.039 0.551 19274 6771 1 17 . 1 1 26 26 GLY H H 26 10.110 10.110 8.512 1.598 19274 6772 1 17 . 1 1 27 27 TYR N N 27 118.030 118.030 119.497 -1.467 19274 6773 1 17 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.376 0.274 19274 6774 1 17 . 1 1 27 27 TYR C C 27 176.130 176.130 174.013 2.117 19274 6775 1 17 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.830 1.461 19274 6776 1 17 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.687 0.803 19274 6777 1 17 . 1 1 27 27 TYR H H 27 8.010 8.010 7.298 0.712 19274 6778 1 17 . 1 1 28 28 VAL N N 28 111.260 111.260 117.206 -5.946 19274 6779 1 17 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.671 0.469 19274 6780 1 17 . 1 1 28 28 VAL C C 28 175.330 175.330 174.911 0.419 19274 6781 1 17 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.794 -0.703 19274 6782 1 17 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.922 0.418 19274 6783 1 17 . 1 1 28 28 VAL H H 28 8.810 8.810 8.847 -0.037 19274 6784 1 17 . 1 1 29 29 THR N N 29 111.560 111.560 114.020 -2.460 19274 6785 1 17 . 1 1 29 29 THR HA H 29 4.680 4.680 5.124 -0.444 19274 6786 1 17 . 1 1 29 29 THR C C 29 176.260 176.260 176.034 0.226 19274 6787 1 17 . 1 1 29 29 THR CA C 29 60.761 60.761 61.580 -0.819 19274 6788 1 17 . 1 1 29 29 THR CB C 29 69.981 69.981 70.335 -0.353 19274 6789 1 17 . 1 1 29 29 THR H H 29 7.450 7.450 8.284 -0.834 19274 6790 1 17 . 1 1 30 30 VAL N N 30 119.990 119.990 121.978 -1.988 19274 6791 1 17 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.714 -0.154 19274 6792 1 17 . 1 1 30 30 VAL C C 30 177.080 177.080 176.414 0.666 19274 6793 1 17 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.667 0.274 19274 6794 1 17 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.787 -0.387 19274 6795 1 17 . 1 1 30 30 VAL H H 30 7.990 7.990 7.894 0.096 19274 6796 1 17 . 1 1 31 31 ASP N N 31 117.730 117.730 120.302 -2.572 19274 6797 1 17 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.264 0.056 19274 6798 1 17 . 1 1 31 31 ASP C C 31 178.650 178.650 177.944 0.706 19274 6799 1 17 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.391 0.020 19274 6800 1 17 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.737 -0.027 19274 6801 1 17 . 1 1 31 31 ASP H H 31 8.060 8.060 8.362 -0.302 19274 6802 1 17 . 1 1 32 32 TYR N N 32 121.060 121.060 119.852 1.208 19274 6803 1 17 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.153 0.047 19274 6804 1 17 . 1 1 32 32 TYR C C 32 177.040 177.040 177.208 -0.168 19274 6805 1 17 . 1 1 32 32 TYR CA C 32 61.171 61.171 61.058 0.113 19274 6806 1 17 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.681 -0.841 19274 6807 1 17 . 1 1 32 32 TYR H H 32 7.760 7.760 7.575 0.185 19274 6808 1 17 . 1 1 33 33 LEU N N 33 120.480 120.480 121.289 -0.809 19274 6809 1 17 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.241 -0.291 19274 6810 1 17 . 1 1 33 33 LEU C C 33 178.060 178.060 178.458 -0.398 19274 6811 1 17 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.626 0.154 19274 6812 1 17 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.091 0.049 19274 6813 1 17 . 1 1 33 33 LEU H H 33 8.170 8.170 8.174 -0.004 19274 6814 1 17 . 1 1 34 34 ARG N N 34 115.900 115.900 117.960 -2.060 19274 6815 1 17 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.066 -0.376 19274 6816 1 17 . 1 1 34 34 ARG C C 34 178.210 178.210 178.397 -0.187 19274 6817 1 17 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.264 1.117 19274 6818 1 17 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.035 0.295 19274 6819 1 17 . 1 1 34 34 ARG H H 34 8.260 8.260 8.269 -0.009 19274 6820 1 17 . 1 1 35 35 LYS N N 35 119.800 119.800 119.786 0.014 19274 6821 1 17 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.921 0.039 19274 6822 1 17 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.200 0.651 19274 6823 1 17 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.130 0.480 19274 6824 1 17 . 1 1 35 35 LYS H H 35 7.460 7.460 7.345 0.115 19274 6825 1 17 . 1 1 36 36 VAL N N 36 119.380 119.380 118.109 1.271 19274 6826 1 17 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.590 -0.090 19274 6827 1 17 . 1 1 36 36 VAL C C 36 178.790 178.790 177.729 1.061 19274 6828 1 17 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.701 1.490 19274 6829 1 17 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.795 0.025 19274 6830 1 17 . 1 1 36 36 VAL H H 36 8.020 8.020 7.355 0.665 19274 6831 1 17 . 1 1 37 37 LEU N N 37 116.970 116.970 118.183 -1.213 19274 6832 1 17 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.250 -0.190 19274 6833 1 17 . 1 1 37 37 LEU C C 37 179.560 179.560 178.180 1.380 19274 6834 1 17 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.240 1.751 19274 6835 1 17 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.074 -0.064 19274 6836 1 17 . 1 1 37 37 LEU H H 37 8.250 8.250 7.494 0.756 19274 6837 1 17 . 1 1 38 38 ASN N N 38 116.710 116.710 118.474 -1.764 19274 6838 1 17 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.458 0.122 19274 6839 1 17 . 1 1 38 38 ASN C C 38 177.520 177.520 177.055 0.465 19274 6840 1 17 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.846 0.104 19274 6841 1 17 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.740 0.350 19274 6842 1 17 . 1 1 38 38 ASN H H 38 8.120 8.120 7.911 0.209 19274 6843 1 17 . 1 1 39 39 GLU N N 39 118.700 118.700 119.992 -1.292 19274 6844 1 17 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.045 0.205 19274 6845 1 17 . 1 1 39 39 GLU C C 39 177.680 177.680 178.165 -0.485 19274 6846 1 17 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.914 -1.113 19274 6847 1 17 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.344 0.226 19274 6848 1 17 . 1 1 39 39 GLU H H 39 7.800 7.800 7.811 -0.011 19274 6849 1 17 . 1 1 40 40 LEU N N 40 118.760 118.760 114.305 4.455 19274 6850 1 17 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.774 -0.404 19274 6851 1 17 . 1 1 40 40 LEU C C 40 177.940 177.940 177.841 0.099 19274 6852 1 17 . 1 1 40 40 LEU CA C 40 55.751 55.751 54.482 1.269 19274 6853 1 17 . 1 1 40 40 LEU CB C 40 42.130 42.130 40.913 1.217 19274 6854 1 17 . 1 1 40 40 LEU H H 40 7.710 7.710 7.454 0.256 19274 6855 1 17 . 1 1 41 41 GLY N N 41 106.700 106.700 108.710 -2.010 19274 6856 1 17 . 1 1 41 41 GLY CA C 41 46.100 46.100 46.532 -0.432 19274 6857 1 17 . 1 1 41 41 GLY H H 41 7.780 7.780 7.851 -0.071 19274 6858 1 17 . 1 1 42 42 ASP N N 42 120.920 120.920 120.668 0.252 19274 6859 1 17 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.526 0.034 19274 6860 1 17 . 1 1 42 42 ASP C C 42 176.280 176.280 177.221 -0.941 19274 6861 1 17 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.426 -1.535 19274 6862 1 17 . 1 1 42 42 ASP CB C 42 40.410 40.410 40.896 -0.486 19274 6863 1 17 . 1 1 42 42 ASP H H 42 8.440 8.440 7.969 0.471 19274 6864 1 17 . 1 1 43 43 MET N N 43 118.550 118.550 117.417 1.133 19274 6865 1 17 . 1 1 43 43 MET HA H 43 4.380 4.380 4.372 0.008 19274 6866 1 17 . 1 1 43 43 MET C C 43 175.810 175.810 176.530 -0.720 19274 6867 1 17 . 1 1 43 43 MET CA C 43 56.801 56.801 56.798 0.003 19274 6868 1 17 . 1 1 43 43 MET CB C 43 33.140 33.140 34.238 -1.098 19274 6869 1 17 . 1 1 43 43 MET H H 43 8.180 8.180 7.367 0.813 19274 6870 1 17 . 1 1 44 44 MET N N 44 119.050 119.050 117.852 1.198 19274 6871 1 17 . 1 1 44 44 MET HA H 44 4.870 4.870 4.851 0.019 19274 6872 1 17 . 1 1 44 44 MET CA C 44 53.170 53.170 50.992 2.178 19274 6873 1 17 . 1 1 44 44 MET CB C 44 33.870 33.870 33.233 0.637 19274 6874 1 17 . 1 1 44 44 MET H H 44 7.920 7.920 8.158 -0.238 19274 6875 1 17 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.365 0.165 19274 6876 1 17 . 1 1 45 45 PRO C C 45 177.450 177.450 176.927 0.523 19274 6877 1 17 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.246 -0.495 19274 6878 1 17 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.858 0.482 19274 6879 1 17 . 1 1 46 46 ALA N N 46 126.480 126.480 127.960 -1.480 19274 6880 1 17 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.983 0.107 19274 6881 1 17 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.831 0.700 19274 6882 1 17 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.970 -0.100 19274 6883 1 17 . 1 1 46 46 ALA H H 46 8.660 8.660 8.450 0.210 19274 6884 1 17 . 1 1 47 47 ASP N N 47 115.320 115.320 118.922 -3.602 19274 6885 1 17 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.381 0.019 19274 6886 1 17 . 1 1 47 47 ASP C C 47 179.710 179.710 177.913 1.797 19274 6887 1 17 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.598 -0.897 19274 6888 1 17 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.477 -0.787 19274 6889 1 17 . 1 1 47 47 ASP H H 47 8.840 8.840 8.610 0.230 19274 6890 1 17 . 1 1 48 48 GLU N N 48 120.590 120.590 119.868 0.722 19274 6891 1 17 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.211 0.059 19274 6892 1 17 . 1 1 48 48 GLU C C 48 178.700 178.700 178.782 -0.082 19274 6893 1 17 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.142 -0.622 19274 6894 1 17 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.198 0.702 19274 6895 1 17 . 1 1 48 48 GLU H H 48 7.580 7.580 8.502 -0.922 19274 6896 1 17 . 1 1 49 49 ILE N N 49 119.990 119.990 119.323 0.667 19274 6897 1 17 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.921 -0.141 19274 6898 1 17 . 1 1 49 49 ILE C C 49 177.640 177.640 178.599 -0.959 19274 6899 1 17 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.162 -0.032 19274 6900 1 17 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.059 -0.360 19274 6901 1 17 . 1 1 49 49 ILE H H 49 7.690 7.690 7.515 0.175 19274 6902 1 17 . 1 1 50 50 GLU N N 50 117.290 117.290 119.467 -2.177 19274 6903 1 17 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.083 -0.113 19274 6904 1 17 . 1 1 50 50 GLU C C 50 179.400 179.400 179.502 -0.102 19274 6905 1 17 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.719 -0.538 19274 6906 1 17 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.371 -0.721 19274 6907 1 17 . 1 1 50 50 GLU H H 50 8.040 8.040 8.148 -0.108 19274 6908 1 17 . 1 1 51 51 GLU N N 51 119.160 119.160 119.550 -0.390 19274 6909 1 17 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.280 -0.061 19274 6910 1 17 . 1 1 51 51 GLU C C 51 179.810 179.810 179.681 0.129 19274 6911 1 17 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.944 0.507 19274 6912 1 17 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.648 -0.338 19274 6913 1 17 . 1 1 51 51 GLU H H 51 7.750 7.750 8.093 -0.343 19274 6914 1 17 . 1 1 52 52 MET N N 52 118.780 118.780 118.693 0.087 19274 6915 1 17 . 1 1 52 52 MET HA H 52 4.200 4.200 4.364 -0.164 19274 6916 1 17 . 1 1 52 52 MET CA C 52 59.191 59.191 58.145 1.046 19274 6917 1 17 . 1 1 52 52 MET CB C 52 33.580 33.580 32.445 1.135 19274 6918 1 17 . 1 1 52 52 MET H H 52 7.998 7.998 7.839 0.159 19274 6919 1 17 . 1 1 53 53 ILE N N 53 120.910 120.910 118.911 1.999 19274 6920 1 17 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.329 0.201 19274 6921 1 17 . 1 1 53 53 ILE C C 53 177.086 177.086 177.367 -0.281 19274 6922 1 17 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.805 1.864 19274 6923 1 17 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.263 0.417 19274 6924 1 17 . 1 1 53 53 ILE H H 53 8.420 8.420 8.077 0.343 19274 6925 1 17 . 1 1 54 54 TYR N N 54 119.030 119.030 118.373 0.657 19274 6926 1 17 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.186 0.114 19274 6927 1 17 . 1 1 54 54 TYR C C 54 177.910 177.910 177.828 0.082 19274 6928 1 17 . 1 1 54 54 TYR CA C 54 60.771 60.771 61.211 -0.440 19274 6929 1 17 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.653 -0.103 19274 6930 1 17 . 1 1 54 54 TYR H H 54 7.850 7.850 7.737 0.113 19274 6931 1 17 . 1 1 55 55 GLU N N 55 115.700 115.700 118.043 -2.343 19274 6932 1 17 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.202 -0.302 19274 6933 1 17 . 1 1 55 55 GLU C C 55 178.280 178.280 177.746 0.534 19274 6934 1 17 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.657 0.734 19274 6935 1 17 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.628 -0.118 19274 6936 1 17 . 1 1 55 55 GLU H H 55 7.850 7.850 7.825 0.025 19274 6937 1 17 . 1 1 56 56 ALA N N 56 119.710 119.710 122.037 -2.327 19274 6938 1 17 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.153 0.237 19274 6939 1 17 . 1 1 56 56 ALA C C 56 177.670 177.670 176.684 0.986 19274 6940 1 17 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.783 -0.613 19274 6941 1 17 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.479 0.511 19274 6942 1 17 . 1 1 56 56 ALA H H 56 8.009 8.009 7.448 0.561 19274 6943 1 17 . 1 1 57 57 ASP N N 57 117.020 117.020 115.960 1.060 19274 6944 1 17 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.063 0.277 19274 6945 1 17 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.240 1.070 19274 6946 1 17 . 1 1 57 57 ASP CB C 57 40.870 40.870 42.087 -1.216 19274 6947 1 17 . 1 1 57 57 ASP H H 57 8.020 8.020 8.085 -0.065 19274 6948 1 17 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.722 -0.412 19274 6949 1 17 . 1 1 58 58 PRO C C 58 178.470 178.470 177.178 1.292 19274 6950 1 17 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.097 1.234 19274 6951 1 17 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.290 -0.660 19274 6952 1 17 . 1 1 59 59 GLN N N 59 115.810 115.810 115.434 0.376 19274 6953 1 17 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.219 0.291 19274 6954 1 17 . 1 1 59 59 GLN C C 59 176.290 176.290 175.856 0.434 19274 6955 1 17 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.602 -0.721 19274 6956 1 17 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.653 -1.073 19274 6957 1 17 . 1 1 59 59 GLN H H 59 8.750 8.750 7.961 0.789 19274 6958 1 17 . 1 1 60 60 ASN N N 60 118.250 118.250 116.154 2.096 19274 6959 1 17 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.365 0.035 19274 6960 1 17 . 1 1 60 60 ASN C C 60 175.330 175.330 174.638 0.692 19274 6961 1 17 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.133 0.279 19274 6962 1 17 . 1 1 60 60 ASN CB C 60 36.770 36.770 36.929 -0.159 19274 6963 1 17 . 1 1 60 60 ASN H H 60 8.350 8.350 8.118 0.232 19274 6964 1 17 . 1 1 61 61 SER N N 61 118.650 118.650 114.440 4.210 19274 6965 1 17 . 1 1 61 61 SER HA H 61 4.300 4.300 4.558 -0.258 19274 6966 1 17 . 1 1 61 61 SER C C 61 176.810 176.810 174.860 1.950 19274 6967 1 17 . 1 1 61 61 SER CA C 61 60.881 60.881 57.925 2.956 19274 6968 1 17 . 1 1 61 61 SER CB C 61 65.031 65.031 63.979 1.052 19274 6969 1 17 . 1 1 61 61 SER H H 61 9.990 9.990 7.986 2.004 19274 6970 1 17 . 1 1 62 62 GLY N N 62 112.630 112.630 109.304 3.326 19274 6971 1 17 . 1 1 62 62 GLY C C 62 173.960 173.960 173.431 0.529 19274 6972 1 17 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.383 -0.053 19274 6973 1 17 . 1 1 62 62 GLY H H 62 10.440 10.440 8.014 2.426 19274 6974 1 17 . 1 1 63 63 TYR N N 63 121.250 121.250 119.959 1.291 19274 6975 1 17 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.059 0.191 19274 6976 1 17 . 1 1 63 63 TYR C C 63 173.900 173.900 175.156 -1.256 19274 6977 1 17 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.074 0.197 19274 6978 1 17 . 1 1 63 63 TYR CB C 63 42.760 42.760 38.355 4.405 19274 6979 1 17 . 1 1 63 63 TYR H H 63 8.180 8.180 7.845 0.335 19274 6980 1 17 . 1 1 64 64 VAL N N 64 115.490 115.490 122.622 -7.132 19274 6981 1 17 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.477 0.003 19274 6982 1 17 . 1 1 64 64 VAL C C 64 174.240 174.240 174.627 -0.387 19274 6983 1 17 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.261 0.920 19274 6984 1 17 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.884 1.706 19274 6985 1 17 . 1 1 64 64 VAL H H 64 8.930 8.930 8.491 0.439 19274 6986 1 17 . 1 1 65 65 GLN N N 65 128.370 128.370 129.089 -0.719 19274 6987 1 17 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.497 -0.067 19274 6988 1 17 . 1 1 65 65 GLN C C 65 177.110 177.110 176.473 0.637 19274 6989 1 17 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.045 0.126 19274 6990 1 17 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.484 0.306 19274 6991 1 17 . 1 1 65 65 GLN H H 65 8.870 8.870 8.880 -0.010 19274 6992 1 17 . 1 1 66 66 TYR N N 66 124.870 124.870 122.274 2.596 19274 6993 1 17 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.963 0.047 19274 6994 1 17 . 1 1 66 66 TYR C C 66 176.650 176.650 176.871 -0.221 19274 6995 1 17 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.784 -0.503 19274 6996 1 17 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.824 0.686 19274 6997 1 17 . 1 1 66 66 TYR H H 66 7.490 7.490 8.085 -0.595 19274 6998 1 17 . 1 1 67 67 GLU N N 67 125.080 125.080 119.002 6.078 19274 6999 1 17 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.689 0.261 19274 7000 1 17 . 1 1 67 67 GLU C C 67 179.630 179.630 178.121 1.509 19274 7001 1 17 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.093 1.648 19274 7002 1 17 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.593 0.317 19274 7003 1 17 . 1 1 67 67 GLU H H 67 9.010 9.010 7.950 1.060 19274 7004 1 17 . 1 1 68 68 THR N N 68 114.620 114.620 112.482 2.138 19274 7005 1 17 . 1 1 68 68 THR HA H 68 4.000 4.000 4.228 -0.228 19274 7006 1 17 . 1 1 68 68 THR C C 68 176.510 176.510 176.117 0.393 19274 7007 1 17 . 1 1 68 68 THR CA C 68 64.921 64.921 63.681 1.240 19274 7008 1 17 . 1 1 68 68 THR CB C 68 68.451 68.451 69.268 -0.817 19274 7009 1 17 . 1 1 68 68 THR H H 68 7.550 7.550 7.434 0.116 19274 7010 1 17 . 1 1 69 69 PHE N N 69 122.710 122.710 123.324 -0.614 19274 7011 1 17 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.172 -0.042 19274 7012 1 17 . 1 1 69 69 PHE C C 69 177.160 177.160 176.794 0.366 19274 7013 1 17 . 1 1 69 69 PHE CA C 69 61.791 61.791 61.443 0.348 19274 7014 1 17 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.927 1.143 19274 7015 1 17 . 1 1 69 69 PHE H H 69 7.740 7.740 7.976 -0.236 19274 7016 1 17 . 1 1 70 70 VAL N N 70 116.340 116.340 117.793 -1.453 19274 7017 1 17 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.540 0.150 19274 7018 1 17 . 1 1 70 70 VAL C C 70 178.010 178.010 178.403 -0.393 19274 7019 1 17 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.735 -0.344 19274 7020 1 17 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.049 0.571 19274 7021 1 17 . 1 1 70 70 VAL H H 70 8.600 8.600 7.958 0.642 19274 7022 1 17 . 1 1 71 71 GLY N N 71 105.990 105.990 107.410 -1.420 19274 7023 1 17 . 1 1 71 71 GLY C C 71 174.980 174.980 175.128 -0.148 19274 7024 1 17 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.023 -0.273 19274 7025 1 17 . 1 1 71 71 GLY H H 71 7.690 7.690 8.191 -0.501 19274 7026 1 17 . 1 1 72 72 MET N N 72 117.740 117.740 119.251 -1.511 19274 7027 1 17 . 1 1 72 72 MET HA H 72 4.260 4.260 4.488 -0.228 19274 7028 1 17 . 1 1 72 72 MET C C 72 176.400 176.400 177.557 -1.157 19274 7029 1 17 . 1 1 72 72 MET CA C 72 56.611 56.611 56.688 -0.077 19274 7030 1 17 . 1 1 72 72 MET CB C 72 33.000 33.000 32.967 0.033 19274 7031 1 17 . 1 1 72 72 MET H H 72 7.450 7.450 7.513 -0.063 19274 7032 1 17 . 1 1 73 73 LEU N N 73 118.370 118.370 123.395 -5.025 19274 7033 1 17 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.743 0.277 19274 7034 1 17 . 1 1 73 73 LEU C C 73 176.700 176.700 176.466 0.234 19274 7035 1 17 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.063 -1.542 19274 7036 1 17 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.886 1.214 19274 7037 1 17 . 1 1 73 73 LEU H H 73 7.380 7.380 7.649 -0.269 19274 7038 1 17 . 1 1 74 74 PHE N N 74 117.280 117.280 114.978 2.302 19274 7039 1 17 . 1 1 74 74 PHE HA H 74 4.490 4.490 3.783 0.707 19274 7040 1 17 . 1 1 74 74 PHE C C 74 175.380 175.380 175.753 -0.373 19274 7041 1 17 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.131 -0.750 19274 7042 1 17 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.995 0.415 19274 7043 1 17 . 1 1 74 74 PHE H H 74 7.830 7.830 7.559 0.271 19274 7044 1 17 . 1 1 75 75 LEU N N 75 120.310 120.310 120.607 -0.297 19274 7045 1 17 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.341 -0.191 19274 7046 1 17 . 1 1 75 75 LEU C C 75 176.640 176.640 177.140 -0.500 19274 7047 1 17 . 1 1 75 75 LEU CA C 75 55.451 55.451 53.871 1.580 19274 7048 1 17 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.487 0.303 19274 7049 1 17 . 1 1 75 75 LEU H H 75 7.270 7.270 6.941 0.329 19274 7050 1 17 . 1 1 76 76 TRP N N 76 119.350 119.350 121.214 -1.864 19274 7051 1 17 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.525 0.285 19274 7052 1 17 . 1 1 76 76 TRP C C 76 175.050 175.050 176.261 -1.211 19274 7053 1 17 . 1 1 76 76 TRP CA C 76 57.081 57.081 57.013 0.068 19274 7054 1 17 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.193 2.507 19274 7055 1 17 . 1 1 76 76 TRP H H 76 7.870 7.870 7.596 0.274 19274 7056 1 18 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.548 -0.478 19274 7057 1 18 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.256 1.504 19274 7058 1 18 . 1 1 4 4 MET N N 4 120.140 120.140 124.286 -4.146 19274 7059 1 18 . 1 1 4 4 MET HA H 4 4.390 4.390 4.583 -0.193 19274 7060 1 18 . 1 1 4 4 MET CA C 4 55.160 55.160 54.688 0.472 19274 7061 1 18 . 1 1 4 4 MET CB C 4 32.400 32.400 33.189 -0.789 19274 7062 1 18 . 1 1 4 4 MET H H 4 8.380 8.380 8.458 -0.078 19274 7063 1 18 . 1 1 5 5 ASN N N 5 119.370 119.370 125.850 -6.480 19274 7064 1 18 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.547 1.123 19274 7065 1 18 . 1 1 5 5 ASN CB C 5 38.690 38.690 36.710 1.980 19274 7066 1 18 . 1 1 5 5 ASN H H 5 8.360 8.360 8.876 -0.516 19274 7067 1 18 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.650 0.050 19274 7068 1 18 . 1 1 6 6 HIS C C 6 174.900 174.900 174.103 0.797 19274 7069 1 18 . 1 1 6 6 HIS CA C 6 56.100 56.100 55.298 0.802 19274 7070 1 18 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.198 0.722 19274 7071 1 18 . 1 1 7 7 ILE N N 7 121.430 121.430 127.038 -5.608 19274 7072 1 18 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.185 -0.105 19274 7073 1 18 . 1 1 7 7 ILE C C 7 175.940 175.940 174.513 1.427 19274 7074 1 18 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.172 1.538 19274 7075 1 18 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.413 0.147 19274 7076 1 18 . 1 1 7 7 ILE H H 7 8.090 8.090 7.692 0.398 19274 7077 1 18 . 1 1 8 8 ASN N N 8 121.280 121.280 128.215 -6.935 19274 7078 1 18 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.893 -0.013 19274 7079 1 18 . 1 1 8 8 ASN C C 8 175.360 175.360 174.571 0.789 19274 7080 1 18 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.258 0.372 19274 7081 1 18 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.022 1.568 19274 7082 1 18 . 1 1 8 8 ASN H H 8 8.520 8.520 8.572 -0.052 19274 7083 1 18 . 1 1 9 9 THR N N 9 112.710 112.710 116.922 -4.212 19274 7084 1 18 . 1 1 9 9 THR HA H 9 4.370 4.370 4.565 -0.195 19274 7085 1 18 . 1 1 9 9 THR C C 9 174.690 174.690 174.824 -0.134 19274 7086 1 18 . 1 1 9 9 THR CA C 9 62.100 62.100 60.746 1.353 19274 7087 1 18 . 1 1 9 9 THR CB C 9 71.021 71.021 70.286 0.735 19274 7088 1 18 . 1 1 9 9 THR H H 9 8.020 8.020 7.836 0.184 19274 7089 1 18 . 1 1 10 10 LYS N N 10 122.130 122.130 124.110 -1.980 19274 7090 1 18 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.741 -0.481 19274 7091 1 18 . 1 1 10 10 LYS C C 10 177.710 177.710 177.271 0.439 19274 7092 1 18 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.737 2.463 19274 7093 1 18 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.941 0.129 19274 7094 1 18 . 1 1 10 10 LYS H H 10 8.390 8.390 8.691 -0.301 19274 7095 1 18 . 1 1 11 11 ALA N N 11 118.760 118.760 122.423 -3.663 19274 7096 1 18 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.933 0.107 19274 7097 1 18 . 1 1 11 11 ALA C C 11 180.540 180.540 179.452 1.088 19274 7098 1 18 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.851 0.140 19274 7099 1 18 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.383 -0.333 19274 7100 1 18 . 1 1 11 11 ALA H H 11 8.120 8.120 7.585 0.535 19274 7101 1 18 . 1 1 12 12 GLN N N 12 116.840 116.840 117.488 -0.648 19274 7102 1 18 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.033 0.007 19274 7103 1 18 . 1 1 12 12 GLN C C 12 178.940 178.940 178.544 0.396 19274 7104 1 18 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.527 0.034 19274 7105 1 18 . 1 1 12 12 GLN CB C 12 29.120 29.120 27.904 1.216 19274 7106 1 18 . 1 1 12 12 GLN H H 12 7.700 7.700 7.614 0.086 19274 7107 1 18 . 1 1 13 13 VAL N N 13 121.610 121.610 119.446 2.164 19274 7108 1 18 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.795 -0.335 19274 7109 1 18 . 1 1 13 13 VAL C C 13 176.920 176.920 177.705 -0.785 19274 7110 1 18 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.527 1.964 19274 7111 1 18 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.208 0.102 19274 7112 1 18 . 1 1 13 13 VAL H H 13 7.990 7.990 7.606 0.384 19274 7113 1 18 . 1 1 14 14 ILE N N 14 118.850 118.850 120.393 -1.543 19274 7114 1 18 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.966 -0.166 19274 7115 1 18 . 1 1 14 14 ILE C C 14 178.130 178.130 177.963 0.167 19274 7116 1 18 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.284 0.126 19274 7117 1 18 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.714 -0.544 19274 7118 1 18 . 1 1 14 14 ILE H H 14 8.220 8.220 7.346 0.874 19274 7119 1 18 . 1 1 15 15 GLU N N 15 118.090 118.090 119.054 -0.964 19274 7120 1 18 . 1 1 15 15 GLU HA H 15 3.960 3.960 3.971 -0.011 19274 7121 1 18 . 1 1 15 15 GLU C C 15 178.310 178.310 178.858 -0.548 19274 7122 1 18 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.148 0.192 19274 7123 1 18 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.931 0.329 19274 7124 1 18 . 1 1 15 15 GLU H H 15 7.940 7.940 8.064 -0.124 19274 7125 1 18 . 1 1 16 16 ALA N N 16 120.860 120.860 121.779 -0.919 19274 7126 1 18 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.155 -0.025 19274 7127 1 18 . 1 1 16 16 ALA C C 16 180.840 180.840 179.801 1.039 19274 7128 1 18 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.841 -0.040 19274 7129 1 18 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.373 -0.584 19274 7130 1 18 . 1 1 16 16 ALA H H 16 7.560 7.560 7.331 0.229 19274 7131 1 18 . 1 1 17 17 PHE N N 17 116.830 116.830 116.610 0.220 19274 7132 1 18 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.085 0.305 19274 7133 1 18 . 1 1 17 17 PHE C C 17 177.550 177.550 177.589 -0.039 19274 7134 1 18 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.512 -1.581 19274 7135 1 18 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.073 -0.183 19274 7136 1 18 . 1 1 17 17 PHE H H 17 7.730 7.730 7.395 0.335 19274 7137 1 18 . 1 1 18 18 LYS N N 18 119.360 119.360 119.007 0.353 19274 7138 1 18 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.198 -0.228 19274 7139 1 18 . 1 1 18 18 LYS C C 18 178.860 178.860 177.912 0.948 19274 7140 1 18 . 1 1 18 18 LYS CA C 18 59.631 59.631 59.073 0.558 19274 7141 1 18 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.633 -0.173 19274 7142 1 18 . 1 1 18 18 LYS H H 18 8.290 8.290 7.836 0.454 19274 7143 1 18 . 1 1 19 19 VAL N N 19 116.479 116.479 118.499 -2.020 19274 7144 1 18 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.832 -0.182 19274 7145 1 18 . 1 1 19 19 VAL C C 19 177.020 177.020 176.790 0.230 19274 7146 1 18 . 1 1 19 19 VAL CA C 19 65.051 65.051 64.162 0.889 19274 7147 1 18 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.988 0.003 19274 7148 1 18 . 1 1 19 19 VAL H H 19 7.400 7.400 7.782 -0.382 19274 7149 1 18 . 1 1 20 20 PHE N N 20 118.120 118.120 121.108 -2.988 19274 7150 1 18 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.201 0.129 19274 7151 1 18 . 1 1 20 20 PHE C C 20 175.750 175.750 175.748 0.002 19274 7152 1 18 . 1 1 20 20 PHE CA C 20 58.791 58.791 60.289 -1.498 19274 7153 1 18 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.409 0.571 19274 7154 1 18 . 1 1 20 20 PHE H H 20 7.260 7.260 7.426 -0.166 19274 7155 1 18 . 1 1 21 21 ASP N N 21 120.640 120.640 118.832 1.808 19274 7156 1 18 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.709 0.421 19274 7157 1 18 . 1 1 21 21 ASP C C 21 176.520 176.520 175.999 0.521 19274 7158 1 18 . 1 1 21 21 ASP CA C 21 52.540 52.540 52.799 -0.259 19274 7159 1 18 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.920 0.060 19274 7160 1 18 . 1 1 21 21 ASP H H 21 7.910 7.910 8.094 -0.184 19274 7161 1 18 . 1 1 22 22 ARG N N 22 124.740 124.740 123.415 1.325 19274 7162 1 18 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.402 -0.272 19274 7163 1 18 . 1 1 22 22 ARG C C 22 177.980 177.980 176.539 1.441 19274 7164 1 18 . 1 1 22 22 ARG CA C 22 58.431 58.431 56.367 2.064 19274 7165 1 18 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.304 0.086 19274 7166 1 18 . 1 1 22 22 ARG H H 22 8.120 8.120 7.944 0.176 19274 7167 1 18 . 1 1 23 23 ASP N N 23 116.400 116.400 119.253 -2.853 19274 7168 1 18 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.635 0.115 19274 7169 1 18 . 1 1 23 23 ASP C C 23 176.750 176.750 177.113 -0.363 19274 7170 1 18 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.854 -0.133 19274 7171 1 18 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.319 -0.099 19274 7172 1 18 . 1 1 23 23 ASP H H 23 8.670 8.670 7.837 0.833 19274 7173 1 18 . 1 1 24 24 GLY N N 24 110.310 110.310 108.329 1.981 19274 7174 1 18 . 1 1 24 24 GLY C C 24 175.410 175.410 175.037 0.373 19274 7175 1 18 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.134 1.930 19274 7176 1 18 . 1 1 24 24 GLY H H 24 8.000 8.000 8.023 -0.023 19274 7177 1 18 . 1 1 25 25 ASN N N 25 118.870 118.870 119.763 -0.893 19274 7178 1 18 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.388 0.472 19274 7179 1 18 . 1 1 25 25 ASN C C 25 176.610 176.610 175.980 0.630 19274 7180 1 18 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.333 -1.183 19274 7181 1 18 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.722 0.708 19274 7182 1 18 . 1 1 25 25 ASN H H 25 9.250 9.250 8.602 0.648 19274 7183 1 18 . 1 1 26 26 GLY N N 26 110.130 110.130 105.807 4.323 19274 7184 1 18 . 1 1 26 26 GLY C C 26 173.300 173.300 173.152 0.148 19274 7185 1 18 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.334 0.256 19274 7186 1 18 . 1 1 26 26 GLY H H 26 10.110 10.110 8.509 1.601 19274 7187 1 18 . 1 1 27 27 TYR N N 27 118.030 118.030 116.584 1.446 19274 7188 1 18 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.618 0.032 19274 7189 1 18 . 1 1 27 27 TYR C C 27 176.130 176.130 173.503 2.627 19274 7190 1 18 . 1 1 27 27 TYR CA C 27 57.291 57.291 56.409 0.882 19274 7191 1 18 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.704 0.786 19274 7192 1 18 . 1 1 27 27 TYR H H 27 8.010 8.010 6.959 1.051 19274 7193 1 18 . 1 1 28 28 VAL N N 28 111.260 111.260 118.757 -7.497 19274 7194 1 18 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.827 0.313 19274 7195 1 18 . 1 1 28 28 VAL C C 28 175.330 175.330 176.120 -0.790 19274 7196 1 18 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.383 -1.292 19274 7197 1 18 . 1 1 28 28 VAL CB C 28 36.340 36.340 36.366 -0.026 19274 7198 1 18 . 1 1 28 28 VAL H H 28 8.810 8.810 8.700 0.110 19274 7199 1 18 . 1 1 29 29 THR N N 29 111.560 111.560 116.115 -4.555 19274 7200 1 18 . 1 1 29 29 THR HA H 29 4.680 4.680 4.569 0.111 19274 7201 1 18 . 1 1 29 29 THR C C 29 176.260 176.260 176.024 0.236 19274 7202 1 18 . 1 1 29 29 THR CA C 29 60.761 60.761 62.728 -1.968 19274 7203 1 18 . 1 1 29 29 THR CB C 29 69.981 69.981 69.521 0.460 19274 7204 1 18 . 1 1 29 29 THR H H 29 7.450 7.450 8.600 -1.150 19274 7205 1 18 . 1 1 30 30 VAL N N 30 119.990 119.990 122.618 -2.628 19274 7206 1 18 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.875 -0.315 19274 7207 1 18 . 1 1 30 30 VAL C C 30 177.080 177.080 176.549 0.531 19274 7208 1 18 . 1 1 30 30 VAL CA C 30 65.941 65.941 63.931 2.010 19274 7209 1 18 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.815 -0.415 19274 7210 1 18 . 1 1 30 30 VAL H H 30 7.990 7.990 7.838 0.152 19274 7211 1 18 . 1 1 31 31 ASP N N 31 117.730 117.730 121.004 -3.274 19274 7212 1 18 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.250 0.070 19274 7213 1 18 . 1 1 31 31 ASP C C 31 178.650 178.650 177.629 1.021 19274 7214 1 18 . 1 1 31 31 ASP CA C 31 57.411 57.411 58.078 -0.667 19274 7215 1 18 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.714 -0.004 19274 7216 1 18 . 1 1 31 31 ASP H H 31 8.060 8.060 8.748 -0.688 19274 7217 1 18 . 1 1 32 32 TYR N N 32 121.060 121.060 119.511 1.549 19274 7218 1 18 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.124 0.076 19274 7219 1 18 . 1 1 32 32 TYR C C 32 177.040 177.040 177.111 -0.071 19274 7220 1 18 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.760 0.411 19274 7221 1 18 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.209 -0.369 19274 7222 1 18 . 1 1 32 32 TYR H H 32 7.760 7.760 7.487 0.273 19274 7223 1 18 . 1 1 33 33 LEU N N 33 120.480 120.480 121.875 -1.395 19274 7224 1 18 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.236 -0.286 19274 7225 1 18 . 1 1 33 33 LEU C C 33 178.060 178.060 178.304 -0.244 19274 7226 1 18 . 1 1 33 33 LEU CA C 33 58.780 58.780 59.069 -0.289 19274 7227 1 18 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.024 0.116 19274 7228 1 18 . 1 1 33 33 LEU H H 33 8.170 8.170 7.717 0.453 19274 7229 1 18 . 1 1 34 34 ARG N N 34 115.900 115.900 116.981 -1.081 19274 7230 1 18 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.002 -0.312 19274 7231 1 18 . 1 1 34 34 ARG C C 34 178.210 178.210 178.845 -0.635 19274 7232 1 18 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.363 1.018 19274 7233 1 18 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.976 0.354 19274 7234 1 18 . 1 1 34 34 ARG H H 34 8.260 8.260 7.980 0.280 19274 7235 1 18 . 1 1 35 35 LYS N N 35 119.800 119.800 120.263 -0.463 19274 7236 1 18 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.984 -0.024 19274 7237 1 18 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.507 0.344 19274 7238 1 18 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.351 0.259 19274 7239 1 18 . 1 1 35 35 LYS H H 35 7.460 7.460 7.321 0.139 19274 7240 1 18 . 1 1 36 36 VAL N N 36 119.380 119.380 119.557 -0.177 19274 7241 1 18 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.674 -0.174 19274 7242 1 18 . 1 1 36 36 VAL C C 36 178.790 178.790 177.432 1.358 19274 7243 1 18 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.710 1.481 19274 7244 1 18 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.297 0.522 19274 7245 1 18 . 1 1 36 36 VAL H H 36 8.020 8.020 7.532 0.488 19274 7246 1 18 . 1 1 37 37 LEU N N 37 116.970 116.970 119.344 -2.374 19274 7247 1 18 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.216 -0.156 19274 7248 1 18 . 1 1 37 37 LEU C C 37 179.560 179.560 177.707 1.853 19274 7249 1 18 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.754 1.238 19274 7250 1 18 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.166 -0.156 19274 7251 1 18 . 1 1 37 37 LEU H H 37 8.250 8.250 7.826 0.424 19274 7252 1 18 . 1 1 38 38 ASN N N 38 116.710 116.710 116.371 0.339 19274 7253 1 18 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.421 0.159 19274 7254 1 18 . 1 1 38 38 ASN C C 38 177.520 177.520 176.596 0.924 19274 7255 1 18 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.751 0.199 19274 7256 1 18 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.686 0.404 19274 7257 1 18 . 1 1 38 38 ASN H H 38 8.120 8.120 7.490 0.630 19274 7258 1 18 . 1 1 39 39 GLU N N 39 118.700 118.700 118.457 0.243 19274 7259 1 18 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.143 0.107 19274 7260 1 18 . 1 1 39 39 GLU C C 39 177.680 177.680 178.191 -0.511 19274 7261 1 18 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.317 -0.516 19274 7262 1 18 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.487 0.083 19274 7263 1 18 . 1 1 39 39 GLU H H 39 7.800 7.800 7.585 0.215 19274 7264 1 18 . 1 1 40 40 LEU N N 40 118.760 118.760 118.323 0.437 19274 7265 1 18 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.503 -0.133 19274 7266 1 18 . 1 1 40 40 LEU C C 40 177.940 177.940 178.001 -0.061 19274 7267 1 18 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.875 -0.124 19274 7268 1 18 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.699 -0.569 19274 7269 1 18 . 1 1 40 40 LEU H H 40 7.710 7.710 7.774 -0.064 19274 7270 1 18 . 1 1 41 41 GLY N N 41 106.700 106.700 107.318 -0.618 19274 7271 1 18 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.913 1.187 19274 7272 1 18 . 1 1 41 41 GLY H H 41 7.780 7.780 7.668 0.112 19274 7273 1 18 . 1 1 42 42 ASP N N 42 120.920 120.920 124.154 -3.234 19274 7274 1 18 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.517 0.043 19274 7275 1 18 . 1 1 42 42 ASP C C 42 176.280 176.280 178.150 -1.870 19274 7276 1 18 . 1 1 42 42 ASP CA C 42 54.891 54.891 57.093 -2.202 19274 7277 1 18 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.350 -0.940 19274 7278 1 18 . 1 1 42 42 ASP H H 42 8.440 8.440 7.811 0.629 19274 7279 1 18 . 1 1 43 43 MET N N 43 118.550 118.550 117.347 1.203 19274 7280 1 18 . 1 1 43 43 MET HA H 43 4.380 4.380 4.378 0.002 19274 7281 1 18 . 1 1 43 43 MET C C 43 175.810 175.810 175.959 -0.149 19274 7282 1 18 . 1 1 43 43 MET CA C 43 56.801 56.801 57.263 -0.462 19274 7283 1 18 . 1 1 43 43 MET CB C 43 33.140 33.140 32.404 0.736 19274 7284 1 18 . 1 1 43 43 MET H H 43 8.180 8.180 8.173 0.007 19274 7285 1 18 . 1 1 44 44 MET N N 44 119.050 119.050 120.970 -1.920 19274 7286 1 18 . 1 1 44 44 MET HA H 44 4.870 4.870 4.664 0.206 19274 7287 1 18 . 1 1 44 44 MET CA C 44 53.170 53.170 51.135 2.035 19274 7288 1 18 . 1 1 44 44 MET CB C 44 33.870 33.870 30.772 3.098 19274 7289 1 18 . 1 1 44 44 MET H H 44 7.920 7.920 7.671 0.249 19274 7290 1 18 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.260 0.270 19274 7291 1 18 . 1 1 45 45 PRO C C 45 177.450 177.450 177.363 0.087 19274 7292 1 18 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.369 -0.618 19274 7293 1 18 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.216 0.124 19274 7294 1 18 . 1 1 46 46 ALA N N 46 126.480 126.480 127.545 -1.065 19274 7295 1 18 . 1 1 46 46 ALA HA H 46 4.090 4.090 3.954 0.136 19274 7296 1 18 . 1 1 46 46 ALA CA C 46 55.531 55.531 55.178 0.353 19274 7297 1 18 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.814 0.056 19274 7298 1 18 . 1 1 46 46 ALA H H 46 8.660 8.660 8.618 0.042 19274 7299 1 18 . 1 1 47 47 ASP N N 47 115.320 115.320 117.695 -2.375 19274 7300 1 18 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.507 -0.107 19274 7301 1 18 . 1 1 47 47 ASP C C 47 179.710 179.710 178.477 1.233 19274 7302 1 18 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.062 -1.361 19274 7303 1 18 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.478 -0.788 19274 7304 1 18 . 1 1 47 47 ASP H H 47 8.840 8.840 8.561 0.279 19274 7305 1 18 . 1 1 48 48 GLU N N 48 120.590 120.590 119.707 0.883 19274 7306 1 18 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.131 0.139 19274 7307 1 18 . 1 1 48 48 GLU C C 48 178.700 178.700 179.137 -0.437 19274 7308 1 18 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.647 -0.126 19274 7309 1 18 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.671 0.229 19274 7310 1 18 . 1 1 48 48 GLU H H 48 7.580 7.580 7.609 -0.029 19274 7311 1 18 . 1 1 49 49 ILE N N 49 119.990 119.990 120.487 -0.497 19274 7312 1 18 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.966 -0.186 19274 7313 1 18 . 1 1 49 49 ILE C C 49 177.640 177.640 178.208 -0.568 19274 7314 1 18 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.436 -0.305 19274 7315 1 18 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.055 -0.355 19274 7316 1 18 . 1 1 49 49 ILE H H 49 7.690 7.690 8.166 -0.476 19274 7317 1 18 . 1 1 50 50 GLU N N 50 117.290 117.290 119.663 -2.373 19274 7318 1 18 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.067 -0.097 19274 7319 1 18 . 1 1 50 50 GLU C C 50 179.400 179.400 178.904 0.496 19274 7320 1 18 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.701 -0.520 19274 7321 1 18 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.319 -0.669 19274 7322 1 18 . 1 1 50 50 GLU H H 50 8.040 8.040 8.137 -0.097 19274 7323 1 18 . 1 1 51 51 GLU N N 51 119.160 119.160 119.222 -0.062 19274 7324 1 18 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.038 0.182 19274 7325 1 18 . 1 1 51 51 GLU C C 51 179.810 179.810 178.361 1.449 19274 7326 1 18 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.159 0.292 19274 7327 1 18 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.233 0.077 19274 7328 1 18 . 1 1 51 51 GLU H H 51 7.750 7.750 7.931 -0.181 19274 7329 1 18 . 1 1 52 52 MET N N 52 118.780 118.780 115.524 3.256 19274 7330 1 18 . 1 1 52 52 MET HA H 52 4.200 4.200 4.765 -0.565 19274 7331 1 18 . 1 1 52 52 MET CA C 52 59.191 59.191 56.740 2.451 19274 7332 1 18 . 1 1 52 52 MET CB C 52 33.580 33.580 33.163 0.417 19274 7333 1 18 . 1 1 52 52 MET H H 52 7.998 7.998 7.414 0.584 19274 7334 1 18 . 1 1 53 53 ILE N N 53 120.910 120.910 120.928 -0.018 19274 7335 1 18 . 1 1 53 53 ILE HA H 53 3.530 3.530 2.956 0.574 19274 7336 1 18 . 1 1 53 53 ILE C C 53 177.086 177.086 177.731 -0.645 19274 7337 1 18 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.218 1.451 19274 7338 1 18 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.617 0.063 19274 7339 1 18 . 1 1 53 53 ILE H H 53 8.420 8.420 8.111 0.309 19274 7340 1 18 . 1 1 54 54 TYR N N 54 119.030 119.030 117.582 1.448 19274 7341 1 18 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.213 0.087 19274 7342 1 18 . 1 1 54 54 TYR C C 54 177.910 177.910 177.991 -0.081 19274 7343 1 18 . 1 1 54 54 TYR CA C 54 60.771 60.771 60.141 0.630 19274 7344 1 18 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.130 0.420 19274 7345 1 18 . 1 1 54 54 TYR H H 54 7.850 7.850 8.500 -0.650 19274 7346 1 18 . 1 1 55 55 GLU N N 55 115.700 115.700 118.638 -2.938 19274 7347 1 18 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.195 -0.295 19274 7348 1 18 . 1 1 55 55 GLU C C 55 178.280 178.280 176.862 1.418 19274 7349 1 18 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.843 0.548 19274 7350 1 18 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.524 -0.014 19274 7351 1 18 . 1 1 55 55 GLU H H 55 7.850 7.850 7.636 0.214 19274 7352 1 18 . 1 1 56 56 ALA N N 56 119.710 119.710 121.029 -1.319 19274 7353 1 18 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.143 0.247 19274 7354 1 18 . 1 1 56 56 ALA C C 56 177.670 177.670 177.728 -0.058 19274 7355 1 18 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.887 -0.717 19274 7356 1 18 . 1 1 56 56 ALA CB C 56 19.990 19.990 18.942 1.048 19274 7357 1 18 . 1 1 56 56 ALA H H 56 8.009 8.009 7.183 0.826 19274 7358 1 18 . 1 1 57 57 ASP N N 57 117.020 117.020 116.422 0.598 19274 7359 1 18 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.970 0.370 19274 7360 1 18 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.630 1.680 19274 7361 1 18 . 1 1 57 57 ASP CB C 57 40.870 40.870 40.653 0.217 19274 7362 1 18 . 1 1 57 57 ASP H H 57 8.020 8.020 7.815 0.205 19274 7363 1 18 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.672 -0.362 19274 7364 1 18 . 1 1 58 58 PRO C C 58 178.470 178.470 177.997 0.473 19274 7365 1 18 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.856 0.475 19274 7366 1 18 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.360 -0.730 19274 7367 1 18 . 1 1 59 59 GLN N N 59 115.810 115.810 115.292 0.518 19274 7368 1 18 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.364 0.146 19274 7369 1 18 . 1 1 59 59 GLN C C 59 176.290 176.290 175.082 1.208 19274 7370 1 18 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.255 -0.374 19274 7371 1 18 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.541 -0.961 19274 7372 1 18 . 1 1 59 59 GLN H H 59 8.750 8.750 8.287 0.463 19274 7373 1 18 . 1 1 60 60 ASN N N 60 118.250 118.250 116.903 1.347 19274 7374 1 18 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.611 -0.211 19274 7375 1 18 . 1 1 60 60 ASN C C 60 175.330 175.330 175.519 -0.189 19274 7376 1 18 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.363 1.048 19274 7377 1 18 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.655 -0.885 19274 7378 1 18 . 1 1 60 60 ASN H H 60 8.350 8.350 7.819 0.531 19274 7379 1 18 . 1 1 61 61 SER N N 61 118.650 118.650 114.391 4.259 19274 7380 1 18 . 1 1 61 61 SER HA H 61 4.300 4.300 4.348 -0.048 19274 7381 1 18 . 1 1 61 61 SER C C 61 176.810 176.810 175.412 1.398 19274 7382 1 18 . 1 1 61 61 SER CA C 61 60.881 60.881 59.702 1.179 19274 7383 1 18 . 1 1 61 61 SER CB C 61 65.031 65.031 63.474 1.557 19274 7384 1 18 . 1 1 61 61 SER H H 61 9.990 9.990 8.419 1.571 19274 7385 1 18 . 1 1 62 62 GLY N N 62 112.630 112.630 107.764 4.866 19274 7386 1 18 . 1 1 62 62 GLY C C 62 173.960 173.960 172.958 1.002 19274 7387 1 18 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.321 0.010 19274 7388 1 18 . 1 1 62 62 GLY H H 62 10.440 10.440 7.934 2.506 19274 7389 1 18 . 1 1 63 63 TYR N N 63 121.250 121.250 118.584 2.666 19274 7390 1 18 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.884 0.366 19274 7391 1 18 . 1 1 63 63 TYR C C 63 173.900 173.900 174.653 -0.753 19274 7392 1 18 . 1 1 63 63 TYR CA C 63 57.271 57.271 56.771 0.500 19274 7393 1 18 . 1 1 63 63 TYR CB C 63 42.760 42.760 42.309 0.451 19274 7394 1 18 . 1 1 63 63 TYR H H 63 8.180 8.180 7.432 0.748 19274 7395 1 18 . 1 1 64 64 VAL N N 64 115.490 115.490 120.503 -5.013 19274 7396 1 18 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.476 0.004 19274 7397 1 18 . 1 1 64 64 VAL C C 64 174.240 174.240 174.053 0.187 19274 7398 1 18 . 1 1 64 64 VAL CA C 64 60.181 60.181 60.142 0.039 19274 7399 1 18 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.765 0.825 19274 7400 1 18 . 1 1 64 64 VAL H H 64 8.930 8.930 9.095 -0.165 19274 7401 1 18 . 1 1 65 65 GLN N N 65 128.370 128.370 128.818 -0.448 19274 7402 1 18 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.280 0.150 19274 7403 1 18 . 1 1 65 65 GLN C C 65 177.110 177.110 176.635 0.475 19274 7404 1 18 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.339 -0.168 19274 7405 1 18 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.506 0.284 19274 7406 1 18 . 1 1 65 65 GLN H H 65 8.870 8.870 8.687 0.183 19274 7407 1 18 . 1 1 66 66 TYR N N 66 124.870 124.870 122.569 2.301 19274 7408 1 18 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.869 0.141 19274 7409 1 18 . 1 1 66 66 TYR C C 66 176.650 176.650 176.777 -0.127 19274 7410 1 18 . 1 1 66 66 TYR CA C 66 60.281 60.281 61.148 -0.867 19274 7411 1 18 . 1 1 66 66 TYR CB C 66 37.510 37.510 36.936 0.574 19274 7412 1 18 . 1 1 66 66 TYR H H 66 7.490 7.490 7.846 -0.356 19274 7413 1 18 . 1 1 67 67 GLU N N 67 125.080 125.080 118.656 6.424 19274 7414 1 18 . 1 1 67 67 GLU HA H 67 3.950 3.950 4.020 -0.070 19274 7415 1 18 . 1 1 67 67 GLU C C 67 179.630 179.630 178.181 1.449 19274 7416 1 18 . 1 1 67 67 GLU CA C 67 60.741 60.741 58.850 1.891 19274 7417 1 18 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.289 0.621 19274 7418 1 18 . 1 1 67 67 GLU H H 67 9.010 9.010 8.062 0.948 19274 7419 1 18 . 1 1 68 68 THR N N 68 114.620 114.620 114.288 0.332 19274 7420 1 18 . 1 1 68 68 THR HA H 68 4.000 4.000 4.028 -0.028 19274 7421 1 18 . 1 1 68 68 THR C C 68 176.510 176.510 176.620 -0.110 19274 7422 1 18 . 1 1 68 68 THR CA C 68 64.921 64.921 65.680 -0.759 19274 7423 1 18 . 1 1 68 68 THR CB C 68 68.451 68.451 68.339 0.112 19274 7424 1 18 . 1 1 68 68 THR H H 68 7.550 7.550 7.868 -0.318 19274 7425 1 18 . 1 1 69 69 PHE N N 69 122.710 122.710 123.087 -0.377 19274 7426 1 18 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.309 -0.179 19274 7427 1 18 . 1 1 69 69 PHE C C 69 177.160 177.160 176.428 0.732 19274 7428 1 18 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.761 1.030 19274 7429 1 18 . 1 1 69 69 PHE CB C 69 40.070 40.070 38.871 1.199 19274 7430 1 18 . 1 1 69 69 PHE H H 69 7.740 7.740 7.841 -0.101 19274 7431 1 18 . 1 1 70 70 VAL N N 70 116.340 116.340 118.531 -2.191 19274 7432 1 18 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.337 0.353 19274 7433 1 18 . 1 1 70 70 VAL C C 70 178.010 178.010 178.311 -0.301 19274 7434 1 18 . 1 1 70 70 VAL CA C 70 66.391 66.391 66.706 -0.315 19274 7435 1 18 . 1 1 70 70 VAL CB C 70 31.620 31.620 30.893 0.727 19274 7436 1 18 . 1 1 70 70 VAL H H 70 8.600 8.600 8.278 0.322 19274 7437 1 18 . 1 1 71 71 GLY N N 71 105.990 105.990 107.494 -1.504 19274 7438 1 18 . 1 1 71 71 GLY C C 71 174.980 174.980 175.342 -0.362 19274 7439 1 18 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.147 -0.397 19274 7440 1 18 . 1 1 71 71 GLY H H 71 7.690 7.690 7.680 0.010 19274 7441 1 18 . 1 1 72 72 MET N N 72 117.740 117.740 119.618 -1.878 19274 7442 1 18 . 1 1 72 72 MET HA H 72 4.260 4.260 4.337 -0.077 19274 7443 1 18 . 1 1 72 72 MET C C 72 176.400 176.400 178.158 -1.758 19274 7444 1 18 . 1 1 72 72 MET CA C 72 56.611 56.611 56.866 -0.255 19274 7445 1 18 . 1 1 72 72 MET CB C 72 33.000 33.000 33.051 -0.051 19274 7446 1 18 . 1 1 72 72 MET H H 72 7.450 7.450 7.576 -0.126 19274 7447 1 18 . 1 1 73 73 LEU N N 73 118.370 118.370 122.763 -4.393 19274 7448 1 18 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.695 0.325 19274 7449 1 18 . 1 1 73 73 LEU C C 73 176.700 176.700 177.175 -0.475 19274 7450 1 18 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.467 -1.946 19274 7451 1 18 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.659 1.441 19274 7452 1 18 . 1 1 73 73 LEU H H 73 7.380 7.380 7.725 -0.345 19274 7453 1 18 . 1 1 74 74 PHE N N 74 117.280 117.280 115.112 2.168 19274 7454 1 18 . 1 1 74 74 PHE HA H 74 4.490 4.490 3.901 0.589 19274 7455 1 18 . 1 1 74 74 PHE C C 74 175.380 175.380 175.693 -0.313 19274 7456 1 18 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.444 -1.063 19274 7457 1 18 . 1 1 74 74 PHE CB C 74 38.410 38.410 37.913 0.497 19274 7458 1 18 . 1 1 74 74 PHE H H 74 7.830 7.830 7.617 0.213 19274 7459 1 18 . 1 1 75 75 LEU N N 75 120.310 120.310 119.303 1.007 19274 7460 1 18 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.317 -0.167 19274 7461 1 18 . 1 1 75 75 LEU C C 75 176.640 176.640 177.188 -0.548 19274 7462 1 18 . 1 1 75 75 LEU CA C 75 55.451 55.451 53.961 1.490 19274 7463 1 18 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.473 0.317 19274 7464 1 18 . 1 1 75 75 LEU H H 75 7.270 7.270 6.925 0.345 19274 7465 1 18 . 1 1 76 76 TRP N N 76 119.350 119.350 122.374 -3.024 19274 7466 1 18 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.448 0.362 19274 7467 1 18 . 1 1 76 76 TRP C C 76 175.050 175.050 176.796 -1.746 19274 7468 1 18 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.097 0.984 19274 7469 1 18 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.132 2.568 19274 7470 1 18 . 1 1 76 76 TRP H H 76 7.870 7.870 7.390 0.480 19274 7471 1 19 . 1 1 3 3 HIS CA C 3 55.070 55.070 55.309 -0.239 19274 7472 1 19 . 1 1 3 3 HIS CB C 3 31.760 31.760 29.613 2.147 19274 7473 1 19 . 1 1 4 4 MET N N 4 120.140 120.140 124.296 -4.156 19274 7474 1 19 . 1 1 4 4 MET HA H 4 4.390 4.390 4.452 -0.062 19274 7475 1 19 . 1 1 4 4 MET CA C 4 55.160 55.160 54.261 0.899 19274 7476 1 19 . 1 1 4 4 MET CB C 4 32.400 32.400 30.778 1.622 19274 7477 1 19 . 1 1 4 4 MET H H 4 8.380 8.380 8.643 -0.263 19274 7478 1 19 . 1 1 5 5 ASN N N 5 119.370 119.370 123.289 -3.919 19274 7479 1 19 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.107 0.563 19274 7480 1 19 . 1 1 5 5 ASN CB C 5 38.690 38.690 39.291 -0.601 19274 7481 1 19 . 1 1 5 5 ASN H H 5 8.360 8.360 8.286 0.074 19274 7482 1 19 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.533 0.167 19274 7483 1 19 . 1 1 6 6 HIS C C 6 174.900 174.900 175.153 -0.253 19274 7484 1 19 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.263 -0.163 19274 7485 1 19 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.067 0.853 19274 7486 1 19 . 1 1 7 7 ILE N N 7 121.430 121.430 127.464 -6.034 19274 7487 1 19 . 1 1 7 7 ILE HA H 7 4.080 4.080 3.891 0.189 19274 7488 1 19 . 1 1 7 7 ILE C C 7 175.940 175.940 176.513 -0.573 19274 7489 1 19 . 1 1 7 7 ILE CA C 7 61.711 61.711 62.120 -0.409 19274 7490 1 19 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.836 -0.276 19274 7491 1 19 . 1 1 7 7 ILE H H 7 8.090 8.090 8.026 0.064 19274 7492 1 19 . 1 1 8 8 ASN N N 8 121.280 121.280 116.048 5.232 19274 7493 1 19 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.294 0.586 19274 7494 1 19 . 1 1 8 8 ASN C C 8 175.360 175.360 174.030 1.330 19274 7495 1 19 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.780 -0.150 19274 7496 1 19 . 1 1 8 8 ASN CB C 8 39.590 39.590 37.510 2.080 19274 7497 1 19 . 1 1 8 8 ASN H H 8 8.520 8.520 8.063 0.457 19274 7498 1 19 . 1 1 9 9 THR N N 9 112.710 112.710 114.765 -2.055 19274 7499 1 19 . 1 1 9 9 THR HA H 9 4.370 4.370 4.301 0.069 19274 7500 1 19 . 1 1 9 9 THR C C 9 174.690 174.690 175.294 -0.604 19274 7501 1 19 . 1 1 9 9 THR CA C 9 62.100 62.100 63.285 -1.185 19274 7502 1 19 . 1 1 9 9 THR CB C 9 71.021 71.021 69.509 1.512 19274 7503 1 19 . 1 1 9 9 THR H H 9 8.020 8.020 7.505 0.515 19274 7504 1 19 . 1 1 10 10 LYS N N 10 122.130 122.130 128.364 -6.234 19274 7505 1 19 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.870 -0.610 19274 7506 1 19 . 1 1 10 10 LYS C C 10 177.710 177.710 177.881 -0.171 19274 7507 1 19 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.979 1.221 19274 7508 1 19 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.725 0.345 19274 7509 1 19 . 1 1 10 10 LYS H H 10 8.390 8.390 8.793 -0.403 19274 7510 1 19 . 1 1 11 11 ALA N N 11 118.760 118.760 122.391 -3.631 19274 7511 1 19 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.959 0.081 19274 7512 1 19 . 1 1 11 11 ALA C C 11 180.540 180.540 178.890 1.650 19274 7513 1 19 . 1 1 11 11 ALA CA C 11 54.991 54.991 55.085 -0.094 19274 7514 1 19 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.318 -0.268 19274 7515 1 19 . 1 1 11 11 ALA H H 11 8.120 8.120 8.267 -0.147 19274 7516 1 19 . 1 1 12 12 GLN N N 12 116.840 116.840 116.787 0.053 19274 7517 1 19 . 1 1 12 12 GLN HA H 12 4.040 4.040 3.982 0.058 19274 7518 1 19 . 1 1 12 12 GLN C C 12 178.940 178.940 177.884 1.056 19274 7519 1 19 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.509 0.052 19274 7520 1 19 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.110 1.010 19274 7521 1 19 . 1 1 12 12 GLN H H 12 7.700 7.700 7.818 -0.118 19274 7522 1 19 . 1 1 13 13 VAL N N 13 121.610 121.610 119.550 2.060 19274 7523 1 19 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.759 -0.299 19274 7524 1 19 . 1 1 13 13 VAL C C 13 176.920 176.920 177.207 -0.287 19274 7525 1 19 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.017 2.474 19274 7526 1 19 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.450 -0.140 19274 7527 1 19 . 1 1 13 13 VAL H H 13 7.990 7.990 7.384 0.606 19274 7528 1 19 . 1 1 14 14 ILE N N 14 118.850 118.850 120.720 -1.870 19274 7529 1 19 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.806 -0.006 19274 7530 1 19 . 1 1 14 14 ILE C C 14 178.130 178.130 178.300 -0.170 19274 7531 1 19 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.745 -0.335 19274 7532 1 19 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.821 -0.651 19274 7533 1 19 . 1 1 14 14 ILE H H 14 8.220 8.220 7.260 0.960 19274 7534 1 19 . 1 1 15 15 GLU N N 15 118.090 118.090 118.789 -0.699 19274 7535 1 19 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.014 -0.054 19274 7536 1 19 . 1 1 15 15 GLU C C 15 178.310 178.310 178.763 -0.453 19274 7537 1 19 . 1 1 15 15 GLU CA C 15 59.340 59.340 59.219 0.121 19274 7538 1 19 . 1 1 15 15 GLU CB C 15 29.260 29.260 29.316 -0.056 19274 7539 1 19 . 1 1 15 15 GLU H H 15 7.940 7.940 8.473 -0.533 19274 7540 1 19 . 1 1 16 16 ALA N N 16 120.860 120.860 122.769 -1.909 19274 7541 1 19 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.123 0.007 19274 7542 1 19 . 1 1 16 16 ALA C C 16 180.840 180.840 179.731 1.109 19274 7543 1 19 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.849 -0.048 19274 7544 1 19 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.126 -0.336 19274 7545 1 19 . 1 1 16 16 ALA H H 16 7.560 7.560 7.571 -0.011 19274 7546 1 19 . 1 1 17 17 PHE N N 17 116.830 116.830 116.855 -0.025 19274 7547 1 19 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.215 0.175 19274 7548 1 19 . 1 1 17 17 PHE C C 17 177.550 177.550 177.617 -0.067 19274 7549 1 19 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.719 -1.788 19274 7550 1 19 . 1 1 17 17 PHE CB C 17 37.890 37.890 37.917 -0.027 19274 7551 1 19 . 1 1 17 17 PHE H H 17 7.730 7.730 7.804 -0.074 19274 7552 1 19 . 1 1 18 18 LYS N N 18 119.360 119.360 119.687 -0.327 19274 7553 1 19 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.157 -0.187 19274 7554 1 19 . 1 1 18 18 LYS C C 18 178.860 178.860 179.118 -0.258 19274 7555 1 19 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.285 1.346 19274 7556 1 19 . 1 1 18 18 LYS CB C 18 32.460 32.460 31.786 0.674 19274 7557 1 19 . 1 1 18 18 LYS H H 18 8.290 8.290 7.513 0.777 19274 7558 1 19 . 1 1 19 19 VAL N N 19 116.479 116.479 119.003 -2.524 19274 7559 1 19 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.677 -0.027 19274 7560 1 19 . 1 1 19 19 VAL C C 19 177.020 177.020 177.490 -0.470 19274 7561 1 19 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.431 -0.381 19274 7562 1 19 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.674 0.316 19274 7563 1 19 . 1 1 19 19 VAL H H 19 7.400 7.400 7.711 -0.311 19274 7564 1 19 . 1 1 20 20 PHE N N 20 118.120 118.120 120.486 -2.366 19274 7565 1 19 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.136 0.194 19274 7566 1 19 . 1 1 20 20 PHE C C 20 175.750 175.750 176.185 -0.435 19274 7567 1 19 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.191 -0.400 19274 7568 1 19 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.374 0.606 19274 7569 1 19 . 1 1 20 20 PHE H H 20 7.260 7.260 7.475 -0.215 19274 7570 1 19 . 1 1 21 21 ASP N N 21 120.640 120.640 119.475 1.165 19274 7571 1 19 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.381 0.749 19274 7572 1 19 . 1 1 21 21 ASP C C 21 176.520 176.520 176.781 -0.261 19274 7573 1 19 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.990 -1.450 19274 7574 1 19 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.427 -0.447 19274 7575 1 19 . 1 1 21 21 ASP H H 21 7.910 7.910 8.117 -0.207 19274 7576 1 19 . 1 1 22 22 ARG N N 22 124.740 124.740 124.083 0.657 19274 7577 1 19 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.327 -0.197 19274 7578 1 19 . 1 1 22 22 ARG C C 22 177.980 177.980 177.005 0.975 19274 7579 1 19 . 1 1 22 22 ARG CA C 22 58.431 58.431 56.044 2.387 19274 7580 1 19 . 1 1 22 22 ARG CB C 22 30.390 30.390 29.983 0.406 19274 7581 1 19 . 1 1 22 22 ARG H H 22 8.120 8.120 7.795 0.325 19274 7582 1 19 . 1 1 23 23 ASP N N 23 116.400 116.400 117.867 -1.467 19274 7583 1 19 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.596 0.154 19274 7584 1 19 . 1 1 23 23 ASP C C 23 176.750 176.750 176.409 0.341 19274 7585 1 19 . 1 1 23 23 ASP CA C 23 54.721 54.721 53.400 1.321 19274 7586 1 19 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.175 0.045 19274 7587 1 19 . 1 1 23 23 ASP H H 23 8.670 8.670 7.799 0.871 19274 7588 1 19 . 1 1 24 24 GLY N N 24 110.310 110.310 107.874 2.436 19274 7589 1 19 . 1 1 24 24 GLY C C 24 175.410 175.410 175.280 0.130 19274 7590 1 19 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.705 1.359 19274 7591 1 19 . 1 1 24 24 GLY H H 24 8.000 8.000 7.730 0.270 19274 7592 1 19 . 1 1 25 25 ASN N N 25 118.870 118.870 117.951 0.919 19274 7593 1 19 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.354 0.506 19274 7594 1 19 . 1 1 25 25 ASN C C 25 176.610 176.610 176.100 0.510 19274 7595 1 19 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.800 -0.650 19274 7596 1 19 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.436 0.994 19274 7597 1 19 . 1 1 25 25 ASN H H 25 9.250 9.250 8.880 0.370 19274 7598 1 19 . 1 1 26 26 GLY N N 26 110.130 110.130 107.115 3.015 19274 7599 1 19 . 1 1 26 26 GLY C C 26 173.300 173.300 173.024 0.276 19274 7600 1 19 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.565 0.025 19274 7601 1 19 . 1 1 26 26 GLY H H 26 10.110 10.110 8.361 1.749 19274 7602 1 19 . 1 1 27 27 TYR N N 27 118.030 118.030 113.890 4.140 19274 7603 1 19 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.395 0.255 19274 7604 1 19 . 1 1 27 27 TYR C C 27 176.130 176.130 173.505 2.625 19274 7605 1 19 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.927 1.364 19274 7606 1 19 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.276 1.214 19274 7607 1 19 . 1 1 27 27 TYR H H 27 8.010 8.010 6.978 1.032 19274 7608 1 19 . 1 1 28 28 VAL N N 28 111.260 111.260 114.301 -3.041 19274 7609 1 19 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.992 0.148 19274 7610 1 19 . 1 1 28 28 VAL C C 28 175.330 175.330 175.345 -0.015 19274 7611 1 19 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.824 -0.733 19274 7612 1 19 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.602 0.738 19274 7613 1 19 . 1 1 28 28 VAL H H 28 8.810 8.810 8.588 0.222 19274 7614 1 19 . 1 1 29 29 THR N N 29 111.560 111.560 110.535 1.025 19274 7615 1 19 . 1 1 29 29 THR HA H 29 4.680 4.680 4.963 -0.283 19274 7616 1 19 . 1 1 29 29 THR C C 29 176.260 176.260 175.816 0.444 19274 7617 1 19 . 1 1 29 29 THR CA C 29 60.761 60.761 60.974 -0.212 19274 7618 1 19 . 1 1 29 29 THR CB C 29 69.981 69.981 70.478 -0.497 19274 7619 1 19 . 1 1 29 29 THR H H 29 7.450 7.450 8.525 -1.075 19274 7620 1 19 . 1 1 30 30 VAL N N 30 119.990 119.990 121.204 -1.214 19274 7621 1 19 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.695 -0.135 19274 7622 1 19 . 1 1 30 30 VAL C C 30 177.080 177.080 176.429 0.651 19274 7623 1 19 . 1 1 30 30 VAL CA C 30 65.941 65.941 65.844 0.097 19274 7624 1 19 . 1 1 30 30 VAL CB C 30 31.400 31.400 32.040 -0.640 19274 7625 1 19 . 1 1 30 30 VAL H H 30 7.990 7.990 8.196 -0.206 19274 7626 1 19 . 1 1 31 31 ASP N N 31 117.730 117.730 119.718 -1.988 19274 7627 1 19 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.283 0.037 19274 7628 1 19 . 1 1 31 31 ASP C C 31 178.650 178.650 177.746 0.904 19274 7629 1 19 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.566 -0.155 19274 7630 1 19 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.802 -0.092 19274 7631 1 19 . 1 1 31 31 ASP H H 31 8.060 8.060 8.354 -0.294 19274 7632 1 19 . 1 1 32 32 TYR N N 32 121.060 121.060 120.312 0.748 19274 7633 1 19 . 1 1 32 32 TYR HA H 32 4.200 4.200 3.969 0.231 19274 7634 1 19 . 1 1 32 32 TYR C C 32 177.040 177.040 177.131 -0.091 19274 7635 1 19 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.740 0.430 19274 7636 1 19 . 1 1 32 32 TYR CB C 32 37.840 37.840 37.827 0.013 19274 7637 1 19 . 1 1 32 32 TYR H H 32 7.760 7.760 7.341 0.419 19274 7638 1 19 . 1 1 33 33 LEU N N 33 120.480 120.480 120.483 -0.003 19274 7639 1 19 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.108 -0.158 19274 7640 1 19 . 1 1 33 33 LEU C C 33 178.060 178.060 178.734 -0.674 19274 7641 1 19 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.764 0.016 19274 7642 1 19 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.024 0.116 19274 7643 1 19 . 1 1 33 33 LEU H H 33 8.170 8.170 7.714 0.456 19274 7644 1 19 . 1 1 34 34 ARG N N 34 115.900 115.900 117.637 -1.737 19274 7645 1 19 . 1 1 34 34 ARG HA H 34 3.690 3.690 3.993 -0.303 19274 7646 1 19 . 1 1 34 34 ARG C C 34 178.210 178.210 178.666 -0.456 19274 7647 1 19 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.464 0.917 19274 7648 1 19 . 1 1 34 34 ARG CB C 34 30.330 30.330 29.910 0.420 19274 7649 1 19 . 1 1 34 34 ARG H H 34 8.260 8.260 7.834 0.426 19274 7650 1 19 . 1 1 35 35 LYS N N 35 119.800 119.800 119.817 -0.017 19274 7651 1 19 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.990 -0.030 19274 7652 1 19 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.093 0.758 19274 7653 1 19 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.155 0.455 19274 7654 1 19 . 1 1 35 35 LYS H H 35 7.460 7.460 7.351 0.109 19274 7655 1 19 . 1 1 36 36 VAL N N 36 119.380 119.380 119.165 0.215 19274 7656 1 19 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.876 -0.376 19274 7657 1 19 . 1 1 36 36 VAL C C 36 178.790 178.790 177.496 1.294 19274 7658 1 19 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.157 2.034 19274 7659 1 19 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.578 0.242 19274 7660 1 19 . 1 1 36 36 VAL H H 36 8.020 8.020 7.426 0.594 19274 7661 1 19 . 1 1 37 37 LEU N N 37 116.970 116.970 119.098 -2.128 19274 7662 1 19 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.091 -0.031 19274 7663 1 19 . 1 1 37 37 LEU C C 37 179.560 179.560 177.815 1.745 19274 7664 1 19 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.796 1.195 19274 7665 1 19 . 1 1 37 37 LEU CB C 37 41.010 41.010 40.887 0.123 19274 7666 1 19 . 1 1 37 37 LEU H H 37 8.250 8.250 7.626 0.624 19274 7667 1 19 . 1 1 38 38 ASN N N 38 116.710 116.710 118.479 -1.769 19274 7668 1 19 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.411 0.169 19274 7669 1 19 . 1 1 38 38 ASN C C 38 177.520 177.520 176.569 0.951 19274 7670 1 19 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.383 -0.433 19274 7671 1 19 . 1 1 38 38 ASN CB C 38 39.090 39.090 39.030 0.060 19274 7672 1 19 . 1 1 38 38 ASN H H 38 8.120 8.120 7.765 0.355 19274 7673 1 19 . 1 1 39 39 GLU N N 39 118.700 118.700 119.265 -0.565 19274 7674 1 19 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.175 0.075 19274 7675 1 19 . 1 1 39 39 GLU C C 39 177.680 177.680 178.963 -1.283 19274 7676 1 19 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.383 -0.582 19274 7677 1 19 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.389 0.181 19274 7678 1 19 . 1 1 39 39 GLU H H 39 7.800 7.800 7.541 0.259 19274 7679 1 19 . 1 1 40 40 LEU N N 40 118.760 118.760 119.522 -0.762 19274 7680 1 19 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.364 0.006 19274 7681 1 19 . 1 1 40 40 LEU C C 40 177.940 177.940 178.509 -0.569 19274 7682 1 19 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.064 -0.313 19274 7683 1 19 . 1 1 40 40 LEU CB C 40 42.130 42.130 41.917 0.213 19274 7684 1 19 . 1 1 40 40 LEU H H 40 7.710 7.710 7.818 -0.108 19274 7685 1 19 . 1 1 41 41 GLY N N 41 106.700 106.700 106.828 -0.128 19274 7686 1 19 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.453 1.647 19274 7687 1 19 . 1 1 41 41 GLY H H 41 7.780 7.780 7.536 0.244 19274 7688 1 19 . 1 1 42 42 ASP N N 42 120.920 120.920 120.271 0.649 19274 7689 1 19 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.468 0.092 19274 7690 1 19 . 1 1 42 42 ASP C C 42 176.280 176.280 176.879 -0.599 19274 7691 1 19 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.069 -1.178 19274 7692 1 19 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.037 -0.627 19274 7693 1 19 . 1 1 42 42 ASP H H 42 8.440 8.440 7.924 0.516 19274 7694 1 19 . 1 1 43 43 MET N N 43 118.550 118.550 117.678 0.872 19274 7695 1 19 . 1 1 43 43 MET HA H 43 4.380 4.380 4.525 -0.145 19274 7696 1 19 . 1 1 43 43 MET C C 43 175.810 175.810 175.031 0.779 19274 7697 1 19 . 1 1 43 43 MET CA C 43 56.801 56.801 55.009 1.792 19274 7698 1 19 . 1 1 43 43 MET CB C 43 33.140 33.140 33.882 -0.742 19274 7699 1 19 . 1 1 43 43 MET H H 43 8.180 8.180 8.177 0.003 19274 7700 1 19 . 1 1 44 44 MET N N 44 119.050 119.050 120.457 -1.407 19274 7701 1 19 . 1 1 44 44 MET HA H 44 4.870 4.870 4.906 -0.036 19274 7702 1 19 . 1 1 44 44 MET CA C 44 53.170 53.170 51.385 1.785 19274 7703 1 19 . 1 1 44 44 MET CB C 44 33.870 33.870 33.428 0.442 19274 7704 1 19 . 1 1 44 44 MET H H 44 7.920 7.920 7.444 0.476 19274 7705 1 19 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.530 -0.000 19274 7706 1 19 . 1 1 45 45 PRO C C 45 177.450 177.450 176.682 0.768 19274 7707 1 19 . 1 1 45 45 PRO CA C 45 62.751 62.751 62.794 -0.043 19274 7708 1 19 . 1 1 45 45 PRO CB C 45 32.340 32.340 32.179 0.161 19274 7709 1 19 . 1 1 46 46 ALA N N 46 126.480 126.480 129.766 -3.286 19274 7710 1 19 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.013 0.077 19274 7711 1 19 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.860 0.671 19274 7712 1 19 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.354 0.516 19274 7713 1 19 . 1 1 46 46 ALA H H 46 8.660 8.660 8.780 -0.120 19274 7714 1 19 . 1 1 47 47 ASP N N 47 115.320 115.320 117.928 -2.608 19274 7715 1 19 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.463 -0.063 19274 7716 1 19 . 1 1 47 47 ASP C C 47 179.710 179.710 178.549 1.161 19274 7717 1 19 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.213 -1.512 19274 7718 1 19 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.230 -0.540 19274 7719 1 19 . 1 1 47 47 ASP H H 47 8.840 8.840 8.825 0.015 19274 7720 1 19 . 1 1 48 48 GLU N N 48 120.590 120.590 119.833 0.757 19274 7721 1 19 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.186 0.084 19274 7722 1 19 . 1 1 48 48 GLU C C 48 178.700 178.700 178.781 -0.081 19274 7723 1 19 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.924 -0.403 19274 7724 1 19 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.407 0.493 19274 7725 1 19 . 1 1 48 48 GLU H H 48 7.580 7.580 7.550 0.030 19274 7726 1 19 . 1 1 49 49 ILE N N 49 119.990 119.990 119.411 0.579 19274 7727 1 19 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.933 -0.153 19274 7728 1 19 . 1 1 49 49 ILE C C 49 177.640 177.640 178.322 -0.682 19274 7729 1 19 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.201 -0.071 19274 7730 1 19 . 1 1 49 49 ILE CB C 49 37.700 37.700 38.177 -0.477 19274 7731 1 19 . 1 1 49 49 ILE H H 49 7.690 7.690 7.628 0.062 19274 7732 1 19 . 1 1 50 50 GLU N N 50 117.290 117.290 118.810 -1.520 19274 7733 1 19 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.057 -0.087 19274 7734 1 19 . 1 1 50 50 GLU C C 50 179.400 179.400 178.895 0.505 19274 7735 1 19 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.319 -0.138 19274 7736 1 19 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.217 -0.567 19274 7737 1 19 . 1 1 50 50 GLU H H 50 8.040 8.040 8.240 -0.200 19274 7738 1 19 . 1 1 51 51 GLU N N 51 119.160 119.160 119.680 -0.520 19274 7739 1 19 . 1 1 51 51 GLU HA H 51 4.220 4.220 4.284 -0.064 19274 7740 1 19 . 1 1 51 51 GLU C C 51 179.810 179.810 179.262 0.548 19274 7741 1 19 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.324 1.127 19274 7742 1 19 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.218 0.092 19274 7743 1 19 . 1 1 51 51 GLU H H 51 7.750 7.750 7.784 -0.034 19274 7744 1 19 . 1 1 52 52 MET N N 52 118.780 118.780 118.317 0.463 19274 7745 1 19 . 1 1 52 52 MET HA H 52 4.200 4.200 4.710 -0.510 19274 7746 1 19 . 1 1 52 52 MET CA C 52 59.191 59.191 57.358 1.833 19274 7747 1 19 . 1 1 52 52 MET CB C 52 33.580 33.580 32.715 0.865 19274 7748 1 19 . 1 1 52 52 MET H H 52 7.998 7.998 7.861 0.137 19274 7749 1 19 . 1 1 53 53 ILE N N 53 120.910 120.910 118.528 2.382 19274 7750 1 19 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.059 0.471 19274 7751 1 19 . 1 1 53 53 ILE C C 53 177.086 177.086 177.507 -0.421 19274 7752 1 19 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.140 2.529 19274 7753 1 19 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.073 0.607 19274 7754 1 19 . 1 1 53 53 ILE H H 53 8.420 8.420 7.270 1.150 19274 7755 1 19 . 1 1 54 54 TYR N N 54 119.030 119.030 117.980 1.050 19274 7756 1 19 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.131 0.169 19274 7757 1 19 . 1 1 54 54 TYR C C 54 177.910 177.910 177.487 0.423 19274 7758 1 19 . 1 1 54 54 TYR CA C 54 60.771 60.771 61.215 -0.445 19274 7759 1 19 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.452 0.098 19274 7760 1 19 . 1 1 54 54 TYR H H 54 7.850 7.850 7.707 0.143 19274 7761 1 19 . 1 1 55 55 GLU N N 55 115.700 115.700 117.713 -2.013 19274 7762 1 19 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.154 -0.254 19274 7763 1 19 . 1 1 55 55 GLU C C 55 178.280 178.280 177.591 0.689 19274 7764 1 19 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.649 0.742 19274 7765 1 19 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.549 -0.039 19274 7766 1 19 . 1 1 55 55 GLU H H 55 7.850 7.850 7.586 0.264 19274 7767 1 19 . 1 1 56 56 ALA N N 56 119.710 119.710 121.442 -1.732 19274 7768 1 19 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.056 0.334 19274 7769 1 19 . 1 1 56 56 ALA C C 56 177.670 177.670 176.491 1.179 19274 7770 1 19 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.685 -0.516 19274 7771 1 19 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.008 0.982 19274 7772 1 19 . 1 1 56 56 ALA H H 56 8.009 8.009 7.372 0.637 19274 7773 1 19 . 1 1 57 57 ASP N N 57 117.020 117.020 117.320 -0.300 19274 7774 1 19 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.144 0.196 19274 7775 1 19 . 1 1 57 57 ASP CA C 57 52.310 52.310 50.402 1.908 19274 7776 1 19 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.446 -0.576 19274 7777 1 19 . 1 1 57 57 ASP H H 57 8.020 8.020 7.734 0.286 19274 7778 1 19 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.409 -0.099 19274 7779 1 19 . 1 1 58 58 PRO C C 58 178.470 178.470 177.814 0.656 19274 7780 1 19 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.594 0.737 19274 7781 1 19 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.349 -0.719 19274 7782 1 19 . 1 1 59 59 GLN N N 59 115.810 115.810 114.700 1.110 19274 7783 1 19 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.234 0.276 19274 7784 1 19 . 1 1 59 59 GLN C C 59 176.290 176.290 174.917 1.373 19274 7785 1 19 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.739 -0.858 19274 7786 1 19 . 1 1 59 59 GLN CB C 59 27.580 27.580 27.970 -0.390 19274 7787 1 19 . 1 1 59 59 GLN H H 59 8.750 8.750 8.336 0.414 19274 7788 1 19 . 1 1 60 60 ASN N N 60 118.250 118.250 113.610 4.640 19274 7789 1 19 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.441 -0.041 19274 7790 1 19 . 1 1 60 60 ASN C C 60 175.330 175.330 175.847 -0.517 19274 7791 1 19 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.188 0.223 19274 7792 1 19 . 1 1 60 60 ASN CB C 60 36.770 36.770 36.919 -0.149 19274 7793 1 19 . 1 1 60 60 ASN H H 60 8.350 8.350 7.780 0.570 19274 7794 1 19 . 1 1 61 61 SER N N 61 118.650 118.650 115.138 3.512 19274 7795 1 19 . 1 1 61 61 SER HA H 61 4.300 4.300 4.422 -0.122 19274 7796 1 19 . 1 1 61 61 SER C C 61 176.810 176.810 175.766 1.044 19274 7797 1 19 . 1 1 61 61 SER CA C 61 60.881 60.881 58.945 1.936 19274 7798 1 19 . 1 1 61 61 SER CB C 61 65.031 65.031 64.505 0.526 19274 7799 1 19 . 1 1 61 61 SER H H 61 9.990 9.990 8.062 1.928 19274 7800 1 19 . 1 1 62 62 GLY N N 62 112.630 112.630 110.638 1.992 19274 7801 1 19 . 1 1 62 62 GLY C C 62 173.960 173.960 172.782 1.178 19274 7802 1 19 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.339 -0.009 19274 7803 1 19 . 1 1 62 62 GLY H H 62 10.440 10.440 8.369 2.071 19274 7804 1 19 . 1 1 63 63 TYR N N 63 121.250 121.250 119.229 2.021 19274 7805 1 19 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.020 0.230 19274 7806 1 19 . 1 1 63 63 TYR C C 63 173.900 173.900 174.316 -0.416 19274 7807 1 19 . 1 1 63 63 TYR CA C 63 57.271 57.271 58.119 -0.848 19274 7808 1 19 . 1 1 63 63 TYR CB C 63 42.760 42.760 40.103 2.657 19274 7809 1 19 . 1 1 63 63 TYR H H 63 8.180 8.180 7.460 0.720 19274 7810 1 19 . 1 1 64 64 VAL N N 64 115.490 115.490 120.807 -5.317 19274 7811 1 19 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.435 0.045 19274 7812 1 19 . 1 1 64 64 VAL C C 64 174.240 174.240 174.842 -0.602 19274 7813 1 19 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.601 0.580 19274 7814 1 19 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.713 0.877 19274 7815 1 19 . 1 1 64 64 VAL H H 64 8.930 8.930 8.823 0.107 19274 7816 1 19 . 1 1 65 65 GLN N N 65 128.370 128.370 130.062 -1.692 19274 7817 1 19 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.329 0.101 19274 7818 1 19 . 1 1 65 65 GLN C C 65 177.110 177.110 176.397 0.713 19274 7819 1 19 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.287 -0.116 19274 7820 1 19 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.283 0.507 19274 7821 1 19 . 1 1 65 65 GLN H H 65 8.870 8.870 8.945 -0.075 19274 7822 1 19 . 1 1 66 66 TYR N N 66 124.870 124.870 122.823 2.047 19274 7823 1 19 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.001 0.009 19274 7824 1 19 . 1 1 66 66 TYR C C 66 176.650 176.650 177.019 -0.369 19274 7825 1 19 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.883 -0.602 19274 7826 1 19 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.064 0.446 19274 7827 1 19 . 1 1 66 66 TYR H H 66 7.490 7.490 7.991 -0.501 19274 7828 1 19 . 1 1 67 67 GLU N N 67 125.080 125.080 118.794 6.286 19274 7829 1 19 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.849 0.101 19274 7830 1 19 . 1 1 67 67 GLU C C 67 179.630 179.630 177.734 1.896 19274 7831 1 19 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.251 1.490 19274 7832 1 19 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.644 0.266 19274 7833 1 19 . 1 1 67 67 GLU H H 67 9.010 9.010 8.108 0.902 19274 7834 1 19 . 1 1 68 68 THR N N 68 114.620 114.620 112.141 2.479 19274 7835 1 19 . 1 1 68 68 THR HA H 68 4.000 4.000 4.143 -0.143 19274 7836 1 19 . 1 1 68 68 THR C C 68 176.510 176.510 176.420 0.090 19274 7837 1 19 . 1 1 68 68 THR CA C 68 64.921 64.921 64.775 0.146 19274 7838 1 19 . 1 1 68 68 THR CB C 68 68.451 68.451 68.841 -0.390 19274 7839 1 19 . 1 1 68 68 THR H H 68 7.550 7.550 7.297 0.253 19274 7840 1 19 . 1 1 69 69 PHE N N 69 122.710 122.710 123.236 -0.526 19274 7841 1 19 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.336 -0.206 19274 7842 1 19 . 1 1 69 69 PHE C C 69 177.160 177.160 176.601 0.559 19274 7843 1 19 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.087 1.704 19274 7844 1 19 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.300 0.770 19274 7845 1 19 . 1 1 69 69 PHE H H 69 7.740 7.740 7.740 0.000 19274 7846 1 19 . 1 1 70 70 VAL N N 70 116.340 116.340 117.603 -1.263 19274 7847 1 19 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.301 0.389 19274 7848 1 19 . 1 1 70 70 VAL C C 70 178.010 178.010 178.102 -0.092 19274 7849 1 19 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.612 0.779 19274 7850 1 19 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.092 0.528 19274 7851 1 19 . 1 1 70 70 VAL H H 70 8.600 8.600 8.114 0.486 19274 7852 1 19 . 1 1 71 71 GLY N N 71 105.990 105.990 108.056 -2.066 19274 7853 1 19 . 1 1 71 71 GLY C C 71 174.980 174.980 175.463 -0.483 19274 7854 1 19 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.200 -0.450 19274 7855 1 19 . 1 1 71 71 GLY H H 71 7.690 7.690 7.774 -0.084 19274 7856 1 19 . 1 1 72 72 MET N N 72 117.740 117.740 120.152 -2.412 19274 7857 1 19 . 1 1 72 72 MET HA H 72 4.260 4.260 4.094 0.166 19274 7858 1 19 . 1 1 72 72 MET C C 72 176.400 176.400 178.178 -1.778 19274 7859 1 19 . 1 1 72 72 MET CA C 72 56.611 56.611 58.114 -1.503 19274 7860 1 19 . 1 1 72 72 MET CB C 72 33.000 33.000 32.393 0.607 19274 7861 1 19 . 1 1 72 72 MET H H 72 7.450 7.450 7.340 0.110 19274 7862 1 19 . 1 1 73 73 LEU N N 73 118.370 118.370 118.413 -0.043 19274 7863 1 19 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.584 1.436 19274 7864 1 19 . 1 1 73 73 LEU C C 73 176.700 176.700 177.890 -1.190 19274 7865 1 19 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.493 -0.972 19274 7866 1 19 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.305 1.795 19274 7867 1 19 . 1 1 73 73 LEU H H 73 7.380 7.380 7.395 -0.015 19274 7868 1 19 . 1 1 74 74 PHE N N 74 117.280 117.280 114.663 2.617 19274 7869 1 19 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.466 0.024 19274 7870 1 19 . 1 1 74 74 PHE C C 74 175.380 175.380 176.582 -1.202 19274 7871 1 19 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.636 -1.255 19274 7872 1 19 . 1 1 74 74 PHE CB C 74 38.410 38.410 39.200 -0.790 19274 7873 1 19 . 1 1 74 74 PHE H H 74 7.830 7.830 7.432 0.398 19274 7874 1 19 . 1 1 75 75 LEU N N 75 120.310 120.310 119.841 0.469 19274 7875 1 19 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.261 -0.111 19274 7876 1 19 . 1 1 75 75 LEU C C 75 176.640 176.640 177.845 -1.205 19274 7877 1 19 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.948 -0.497 19274 7878 1 19 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.363 0.427 19274 7879 1 19 . 1 1 75 75 LEU H H 75 7.270 7.270 7.158 0.112 19274 7880 1 19 . 1 1 76 76 TRP N N 76 119.350 119.350 120.609 -1.259 19274 7881 1 19 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.367 0.443 19274 7882 1 19 . 1 1 76 76 TRP C C 76 175.050 175.050 177.388 -2.338 19274 7883 1 19 . 1 1 76 76 TRP CA C 76 57.081 57.081 58.248 -1.167 19274 7884 1 19 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.505 1.195 19274 7885 1 19 . 1 1 76 76 TRP H H 76 7.870 7.870 7.445 0.425 19274 7886 1 20 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.404 -1.334 19274 7887 1 20 . 1 1 3 3 HIS CB C 3 31.760 31.760 31.096 0.664 19274 7888 1 20 . 1 1 4 4 MET N N 4 120.140 120.140 125.950 -5.810 19274 7889 1 20 . 1 1 4 4 MET HA H 4 4.390 4.390 4.552 -0.162 19274 7890 1 20 . 1 1 4 4 MET CA C 4 55.160 55.160 55.998 -0.838 19274 7891 1 20 . 1 1 4 4 MET CB C 4 32.400 32.400 32.843 -0.443 19274 7892 1 20 . 1 1 4 4 MET H H 4 8.380 8.380 8.379 0.001 19274 7893 1 20 . 1 1 5 5 ASN N N 5 119.370 119.370 119.889 -0.519 19274 7894 1 20 . 1 1 5 5 ASN CA C 5 53.670 53.670 52.598 1.072 19274 7895 1 20 . 1 1 5 5 ASN CB C 5 38.690 38.690 39.993 -1.303 19274 7896 1 20 . 1 1 5 5 ASN H H 5 8.360 8.360 8.220 0.140 19274 7897 1 20 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.673 0.027 19274 7898 1 20 . 1 1 6 6 HIS C C 6 174.900 174.900 174.968 -0.068 19274 7899 1 20 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.858 -0.758 19274 7900 1 20 . 1 1 6 6 HIS CB C 6 29.920 29.920 30.678 -0.758 19274 7901 1 20 . 1 1 7 7 ILE N N 7 121.430 121.430 121.232 0.198 19274 7902 1 20 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.300 -0.220 19274 7903 1 20 . 1 1 7 7 ILE C C 7 175.940 175.940 175.348 0.592 19274 7904 1 20 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.623 1.088 19274 7905 1 20 . 1 1 7 7 ILE CB C 7 38.560 38.560 37.611 0.949 19274 7906 1 20 . 1 1 7 7 ILE H H 7 8.090 8.090 8.044 0.046 19274 7907 1 20 . 1 1 8 8 ASN N N 8 121.280 121.280 125.362 -4.082 19274 7908 1 20 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.740 0.140 19274 7909 1 20 . 1 1 8 8 ASN C C 8 175.360 175.360 175.200 0.160 19274 7910 1 20 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.693 -0.063 19274 7911 1 20 . 1 1 8 8 ASN CB C 8 39.590 39.590 39.247 0.343 19274 7912 1 20 . 1 1 8 8 ASN H H 8 8.520 8.520 8.898 -0.378 19274 7913 1 20 . 1 1 9 9 THR N N 9 112.710 112.710 112.169 0.541 19274 7914 1 20 . 1 1 9 9 THR HA H 9 4.370 4.370 4.483 -0.113 19274 7915 1 20 . 1 1 9 9 THR C C 9 174.690 174.690 174.074 0.616 19274 7916 1 20 . 1 1 9 9 THR CA C 9 62.100 62.100 60.800 1.300 19274 7917 1 20 . 1 1 9 9 THR CB C 9 71.021 71.021 69.799 1.222 19274 7918 1 20 . 1 1 9 9 THR H H 9 8.020 8.020 7.306 0.714 19274 7919 1 20 . 1 1 10 10 LYS N N 10 122.130 122.130 120.642 1.488 19274 7920 1 20 . 1 1 10 10 LYS HA H 10 3.260 3.260 4.066 -0.806 19274 7921 1 20 . 1 1 10 10 LYS C C 10 177.710 177.710 177.171 0.539 19274 7922 1 20 . 1 1 10 10 LYS CA C 10 60.200 60.200 57.531 2.669 19274 7923 1 20 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.652 0.417 19274 7924 1 20 . 1 1 10 10 LYS H H 10 8.390 8.390 8.623 -0.233 19274 7925 1 20 . 1 1 11 11 ALA N N 11 118.760 118.760 123.062 -4.302 19274 7926 1 20 . 1 1 11 11 ALA HA H 11 4.040 4.040 3.945 0.095 19274 7927 1 20 . 1 1 11 11 ALA C C 11 180.540 180.540 178.952 1.588 19274 7928 1 20 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.582 0.409 19274 7929 1 20 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.426 -0.376 19274 7930 1 20 . 1 1 11 11 ALA H H 11 8.120 8.120 7.492 0.628 19274 7931 1 20 . 1 1 12 12 GLN N N 12 116.840 116.840 117.173 -0.333 19274 7932 1 20 . 1 1 12 12 GLN HA H 12 4.040 4.040 3.915 0.125 19274 7933 1 20 . 1 1 12 12 GLN C C 12 178.940 178.940 177.925 1.015 19274 7934 1 20 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.489 0.072 19274 7935 1 20 . 1 1 12 12 GLN CB C 12 29.120 29.120 27.945 1.175 19274 7936 1 20 . 1 1 12 12 GLN H H 12 7.700 7.700 7.510 0.190 19274 7937 1 20 . 1 1 13 13 VAL N N 13 121.610 121.610 119.703 1.907 19274 7938 1 20 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.869 -0.409 19274 7939 1 20 . 1 1 13 13 VAL C C 13 176.920 176.920 177.285 -0.365 19274 7940 1 20 . 1 1 13 13 VAL CA C 13 66.491 66.491 63.693 2.798 19274 7941 1 20 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.942 -0.632 19274 7942 1 20 . 1 1 13 13 VAL H H 13 7.990 7.990 7.273 0.717 19274 7943 1 20 . 1 1 14 14 ILE N N 14 118.850 118.850 120.775 -1.925 19274 7944 1 20 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.878 -0.078 19274 7945 1 20 . 1 1 14 14 ILE C C 14 178.130 178.130 178.301 -0.171 19274 7946 1 20 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.503 -0.093 19274 7947 1 20 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.735 -0.565 19274 7948 1 20 . 1 1 14 14 ILE H H 14 8.220 8.220 7.269 0.951 19274 7949 1 20 . 1 1 15 15 GLU N N 15 118.090 118.090 118.597 -0.507 19274 7950 1 20 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.079 -0.119 19274 7951 1 20 . 1 1 15 15 GLU C C 15 178.310 178.310 178.767 -0.457 19274 7952 1 20 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.351 0.989 19274 7953 1 20 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.795 0.465 19274 7954 1 20 . 1 1 15 15 GLU H H 15 7.940 7.940 8.483 -0.543 19274 7955 1 20 . 1 1 16 16 ALA N N 16 120.860 120.860 122.316 -1.456 19274 7956 1 20 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.098 0.032 19274 7957 1 20 . 1 1 16 16 ALA C C 16 180.840 180.840 179.937 0.903 19274 7958 1 20 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.853 -0.053 19274 7959 1 20 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.029 -0.239 19274 7960 1 20 . 1 1 16 16 ALA H H 16 7.560 7.560 7.515 0.045 19274 7961 1 20 . 1 1 17 17 PHE N N 17 116.830 116.830 116.787 0.043 19274 7962 1 20 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.158 0.232 19274 7963 1 20 . 1 1 17 17 PHE C C 17 177.550 177.550 177.426 0.124 19274 7964 1 20 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.996 -2.065 19274 7965 1 20 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.174 -0.284 19274 7966 1 20 . 1 1 17 17 PHE H H 17 7.730 7.730 7.641 0.089 19274 7967 1 20 . 1 1 18 18 LYS N N 18 119.360 119.360 118.734 0.626 19274 7968 1 20 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.163 -0.193 19274 7969 1 20 . 1 1 18 18 LYS C C 18 178.860 178.860 178.085 0.775 19274 7970 1 20 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.775 0.856 19274 7971 1 20 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.244 0.216 19274 7972 1 20 . 1 1 18 18 LYS H H 18 8.290 8.290 7.391 0.899 19274 7973 1 20 . 1 1 19 19 VAL N N 19 116.479 116.479 118.789 -2.310 19274 7974 1 20 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.772 -0.122 19274 7975 1 20 . 1 1 19 19 VAL C C 19 177.020 177.020 176.751 0.269 19274 7976 1 20 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.408 -0.357 19274 7977 1 20 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.676 0.314 19274 7978 1 20 . 1 1 19 19 VAL H H 19 7.400 7.400 7.725 -0.325 19274 7979 1 20 . 1 1 20 20 PHE N N 20 118.120 118.120 118.653 -0.533 19274 7980 1 20 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.133 0.197 19274 7981 1 20 . 1 1 20 20 PHE C C 20 175.750 175.750 176.216 -0.466 19274 7982 1 20 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.257 -0.466 19274 7983 1 20 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.446 0.534 19274 7984 1 20 . 1 1 20 20 PHE H H 20 7.260 7.260 7.042 0.218 19274 7985 1 20 . 1 1 21 21 ASP N N 21 120.640 120.640 119.153 1.487 19274 7986 1 20 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.523 0.607 19274 7987 1 20 . 1 1 21 21 ASP C C 21 176.520 176.520 176.305 0.215 19274 7988 1 20 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.500 -0.960 19274 7989 1 20 . 1 1 21 21 ASP CB C 21 39.980 39.980 39.620 0.360 19274 7990 1 20 . 1 1 21 21 ASP H H 21 7.910 7.910 8.320 -0.410 19274 7991 1 20 . 1 1 22 22 ARG N N 22 124.740 124.740 123.116 1.624 19274 7992 1 20 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.318 -0.188 19274 7993 1 20 . 1 1 22 22 ARG C C 22 177.980 177.980 177.273 0.707 19274 7994 1 20 . 1 1 22 22 ARG CA C 22 58.431 58.431 56.705 1.726 19274 7995 1 20 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.498 -0.108 19274 7996 1 20 . 1 1 22 22 ARG H H 22 8.120 8.120 7.610 0.510 19274 7997 1 20 . 1 1 23 23 ASP N N 23 116.400 116.400 118.873 -2.473 19274 7998 1 20 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.429 0.321 19274 7999 1 20 . 1 1 23 23 ASP C C 23 176.750 176.750 176.953 -0.203 19274 8000 1 20 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.468 0.253 19274 8001 1 20 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.254 -0.034 19274 8002 1 20 . 1 1 23 23 ASP H H 23 8.670 8.670 7.955 0.715 19274 8003 1 20 . 1 1 24 24 GLY N N 24 110.310 110.310 107.268 3.042 19274 8004 1 20 . 1 1 24 24 GLY C C 24 175.410 175.410 175.227 0.183 19274 8005 1 20 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.106 1.958 19274 8006 1 20 . 1 1 24 24 GLY H H 24 8.000 8.000 7.968 0.032 19274 8007 1 20 . 1 1 25 25 ASN N N 25 118.870 118.870 118.678 0.192 19274 8008 1 20 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.470 0.390 19274 8009 1 20 . 1 1 25 25 ASN C C 25 176.610 176.610 175.999 0.611 19274 8010 1 20 . 1 1 25 25 ASN CA C 25 53.150 53.150 54.482 -1.332 19274 8011 1 20 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.855 0.575 19274 8012 1 20 . 1 1 25 25 ASN H H 25 9.250 9.250 8.614 0.636 19274 8013 1 20 . 1 1 26 26 GLY N N 26 110.130 110.130 106.331 3.799 19274 8014 1 20 . 1 1 26 26 GLY C C 26 173.300 173.300 172.847 0.453 19274 8015 1 20 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.730 -0.140 19274 8016 1 20 . 1 1 26 26 GLY H H 26 10.110 10.110 8.406 1.704 19274 8017 1 20 . 1 1 27 27 TYR N N 27 118.030 118.030 116.673 1.357 19274 8018 1 20 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.470 0.180 19274 8019 1 20 . 1 1 27 27 TYR C C 27 176.130 176.130 174.019 2.111 19274 8020 1 20 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.411 1.880 19274 8021 1 20 . 1 1 27 27 TYR CB C 27 41.490 41.490 41.215 0.275 19274 8022 1 20 . 1 1 27 27 TYR H H 27 8.010 8.010 6.951 1.059 19274 8023 1 20 . 1 1 28 28 VAL N N 28 111.260 111.260 121.876 -10.616 19274 8024 1 20 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.707 0.433 19274 8025 1 20 . 1 1 28 28 VAL C C 28 175.330 175.330 176.623 -1.293 19274 8026 1 20 . 1 1 28 28 VAL CA C 28 59.091 59.091 60.707 -1.616 19274 8027 1 20 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.236 1.104 19274 8028 1 20 . 1 1 28 28 VAL H H 28 8.810 8.810 9.210 -0.400 19274 8029 1 20 . 1 1 29 29 THR N N 29 111.560 111.560 116.188 -4.628 19274 8030 1 20 . 1 1 29 29 THR HA H 29 4.680 4.680 4.460 0.220 19274 8031 1 20 . 1 1 29 29 THR C C 29 176.260 176.260 175.875 0.385 19274 8032 1 20 . 1 1 29 29 THR CA C 29 60.761 60.761 62.162 -1.401 19274 8033 1 20 . 1 1 29 29 THR CB C 29 69.981 69.981 69.565 0.416 19274 8034 1 20 . 1 1 29 29 THR H H 29 7.450 7.450 8.588 -1.138 19274 8035 1 20 . 1 1 30 30 VAL N N 30 119.990 119.990 121.858 -1.868 19274 8036 1 20 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.828 -0.268 19274 8037 1 20 . 1 1 30 30 VAL C C 30 177.080 177.080 176.695 0.385 19274 8038 1 20 . 1 1 30 30 VAL CA C 30 65.941 65.941 63.857 2.084 19274 8039 1 20 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.651 -0.251 19274 8040 1 20 . 1 1 30 30 VAL H H 30 7.990 7.990 7.885 0.105 19274 8041 1 20 . 1 1 31 31 ASP N N 31 117.730 117.730 121.121 -3.391 19274 8042 1 20 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.240 0.080 19274 8043 1 20 . 1 1 31 31 ASP C C 31 178.650 178.650 177.738 0.912 19274 8044 1 20 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.761 -0.350 19274 8045 1 20 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.804 -0.094 19274 8046 1 20 . 1 1 31 31 ASP H H 31 8.060 8.060 8.420 -0.360 19274 8047 1 20 . 1 1 32 32 TYR N N 32 121.060 121.060 119.202 1.858 19274 8048 1 20 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.072 0.129 19274 8049 1 20 . 1 1 32 32 TYR C C 32 177.040 177.040 176.995 0.045 19274 8050 1 20 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.441 0.730 19274 8051 1 20 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.280 -0.440 19274 8052 1 20 . 1 1 32 32 TYR H H 32 7.760 7.760 7.379 0.381 19274 8053 1 20 . 1 1 33 33 LEU N N 33 120.480 120.480 120.641 -0.161 19274 8054 1 20 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.137 -0.187 19274 8055 1 20 . 1 1 33 33 LEU C C 33 178.060 178.060 178.810 -0.750 19274 8056 1 20 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.573 0.207 19274 8057 1 20 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.129 0.011 19274 8058 1 20 . 1 1 33 33 LEU H H 33 8.170 8.170 7.753 0.417 19274 8059 1 20 . 1 1 34 34 ARG N N 34 115.900 115.900 118.113 -2.213 19274 8060 1 20 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.007 -0.317 19274 8061 1 20 . 1 1 34 34 ARG C C 34 178.210 178.210 178.479 -0.269 19274 8062 1 20 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.562 0.819 19274 8063 1 20 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.096 0.234 19274 8064 1 20 . 1 1 34 34 ARG H H 34 8.260 8.260 8.187 0.073 19274 8065 1 20 . 1 1 35 35 LYS N N 35 119.800 119.800 119.795 0.005 19274 8066 1 20 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.853 0.107 19274 8067 1 20 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.828 0.023 19274 8068 1 20 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.000 0.610 19274 8069 1 20 . 1 1 35 35 LYS H H 35 7.460 7.460 7.263 0.197 19274 8070 1 20 . 1 1 36 36 VAL N N 36 119.380 119.380 118.722 0.658 19274 8071 1 20 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.612 -0.112 19274 8072 1 20 . 1 1 36 36 VAL C C 36 178.790 178.790 177.337 1.453 19274 8073 1 20 . 1 1 36 36 VAL CA C 36 66.191 66.191 65.183 1.008 19274 8074 1 20 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.185 0.635 19274 8075 1 20 . 1 1 36 36 VAL H H 36 8.020 8.020 7.303 0.717 19274 8076 1 20 . 1 1 37 37 LEU N N 37 116.970 116.970 118.173 -1.203 19274 8077 1 20 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.226 -0.166 19274 8078 1 20 . 1 1 37 37 LEU C C 37 179.560 179.560 178.984 0.576 19274 8079 1 20 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.531 1.460 19274 8080 1 20 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.095 -0.085 19274 8081 1 20 . 1 1 37 37 LEU H H 37 8.250 8.250 7.513 0.737 19274 8082 1 20 . 1 1 38 38 ASN N N 38 116.710 116.710 119.140 -2.430 19274 8083 1 20 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.528 0.052 19274 8084 1 20 . 1 1 38 38 ASN C C 38 177.520 177.520 176.597 0.923 19274 8085 1 20 . 1 1 38 38 ASN CA C 38 55.950 55.950 56.043 -0.093 19274 8086 1 20 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.951 0.139 19274 8087 1 20 . 1 1 38 38 ASN H H 38 8.120 8.120 8.032 0.088 19274 8088 1 20 . 1 1 39 39 GLU N N 39 118.700 118.700 119.575 -0.875 19274 8089 1 20 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.047 0.203 19274 8090 1 20 . 1 1 39 39 GLU C C 39 177.680 177.680 179.018 -1.338 19274 8091 1 20 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.605 -0.804 19274 8092 1 20 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.268 0.302 19274 8093 1 20 . 1 1 39 39 GLU H H 39 7.800 7.800 7.924 -0.124 19274 8094 1 20 . 1 1 40 40 LEU N N 40 118.760 118.760 119.714 -0.954 19274 8095 1 20 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.226 0.144 19274 8096 1 20 . 1 1 40 40 LEU C C 40 177.940 177.940 178.232 -0.292 19274 8097 1 20 . 1 1 40 40 LEU CA C 40 55.751 55.751 56.310 -0.559 19274 8098 1 20 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.456 -0.326 19274 8099 1 20 . 1 1 40 40 LEU H H 40 7.710 7.710 7.672 0.038 19274 8100 1 20 . 1 1 41 41 GLY N N 41 106.700 106.700 106.178 0.522 19274 8101 1 20 . 1 1 41 41 GLY CA C 41 46.100 46.100 44.666 1.433 19274 8102 1 20 . 1 1 41 41 GLY H H 41 7.780 7.780 7.618 0.162 19274 8103 1 20 . 1 1 42 42 ASP N N 42 120.920 120.920 120.777 0.143 19274 8104 1 20 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.455 0.105 19274 8105 1 20 . 1 1 42 42 ASP C C 42 176.280 176.280 177.521 -1.241 19274 8106 1 20 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.214 -1.323 19274 8107 1 20 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.820 -1.410 19274 8108 1 20 . 1 1 42 42 ASP H H 42 8.440 8.440 7.759 0.681 19274 8109 1 20 . 1 1 43 43 MET N N 43 118.550 118.550 115.601 2.949 19274 8110 1 20 . 1 1 43 43 MET HA H 43 4.380 4.380 4.571 -0.191 19274 8111 1 20 . 1 1 43 43 MET C C 43 175.810 175.810 175.681 0.129 19274 8112 1 20 . 1 1 43 43 MET CA C 43 56.801 56.801 55.545 1.256 19274 8113 1 20 . 1 1 43 43 MET CB C 43 33.140 33.140 33.404 -0.264 19274 8114 1 20 . 1 1 43 43 MET H H 43 8.180 8.180 8.107 0.073 19274 8115 1 20 . 1 1 44 44 MET N N 44 119.050 119.050 121.136 -2.086 19274 8116 1 20 . 1 1 44 44 MET HA H 44 4.870 4.870 4.897 -0.027 19274 8117 1 20 . 1 1 44 44 MET CA C 44 53.170 53.170 51.653 1.517 19274 8118 1 20 . 1 1 44 44 MET CB C 44 33.870 33.870 32.401 1.469 19274 8119 1 20 . 1 1 44 44 MET H H 44 7.920 7.920 7.439 0.481 19274 8120 1 20 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.427 0.103 19274 8121 1 20 . 1 1 45 45 PRO C C 45 177.450 177.450 176.582 0.868 19274 8122 1 20 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.067 -0.316 19274 8123 1 20 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.669 0.671 19274 8124 1 20 . 1 1 46 46 ALA N N 46 126.480 126.480 129.216 -2.736 19274 8125 1 20 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.123 -0.033 19274 8126 1 20 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.085 1.446 19274 8127 1 20 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.557 0.313 19274 8128 1 20 . 1 1 46 46 ALA H H 46 8.660 8.660 8.582 0.078 19274 8129 1 20 . 1 1 47 47 ASP N N 47 115.320 115.320 119.145 -3.825 19274 8130 1 20 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.271 0.129 19274 8131 1 20 . 1 1 47 47 ASP C C 47 179.710 179.710 178.614 1.096 19274 8132 1 20 . 1 1 47 47 ASP CA C 47 56.701 56.701 58.506 -1.805 19274 8133 1 20 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.512 -0.822 19274 8134 1 20 . 1 1 47 47 ASP H H 47 8.840 8.840 8.851 -0.011 19274 8135 1 20 . 1 1 48 48 GLU N N 48 120.590 120.590 119.473 1.117 19274 8136 1 20 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.045 0.225 19274 8137 1 20 . 1 1 48 48 GLU C C 48 178.700 178.700 179.117 -0.417 19274 8138 1 20 . 1 1 48 48 GLU CA C 48 58.521 58.521 59.115 -0.594 19274 8139 1 20 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.635 0.265 19274 8140 1 20 . 1 1 48 48 GLU H H 48 7.580 7.580 7.719 -0.139 19274 8141 1 20 . 1 1 49 49 ILE N N 49 119.990 119.990 120.019 -0.029 19274 8142 1 20 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.886 -0.106 19274 8143 1 20 . 1 1 49 49 ILE C C 49 177.640 177.640 178.620 -0.980 19274 8144 1 20 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.255 -0.124 19274 8145 1 20 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.986 -0.286 19274 8146 1 20 . 1 1 49 49 ILE H H 49 7.690 7.690 7.663 0.027 19274 8147 1 20 . 1 1 50 50 GLU N N 50 117.290 117.290 118.626 -1.336 19274 8148 1 20 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.122 -0.152 19274 8149 1 20 . 1 1 50 50 GLU C C 50 179.400 179.400 178.960 0.440 19274 8150 1 20 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.408 -0.227 19274 8151 1 20 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.281 -0.631 19274 8152 1 20 . 1 1 50 50 GLU H H 50 8.040 8.040 8.319 -0.279 19274 8153 1 20 . 1 1 51 51 GLU N N 51 119.160 119.160 120.241 -1.081 19274 8154 1 20 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.926 0.294 19274 8155 1 20 . 1 1 51 51 GLU C C 51 179.810 179.810 178.987 0.823 19274 8156 1 20 . 1 1 51 51 GLU CA C 51 59.451 59.451 59.054 0.397 19274 8157 1 20 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.632 -0.322 19274 8158 1 20 . 1 1 51 51 GLU H H 51 7.750 7.750 7.858 -0.108 19274 8159 1 20 . 1 1 52 52 MET N N 52 118.780 118.780 116.937 1.843 19274 8160 1 20 . 1 1 52 52 MET HA H 52 4.200 4.200 4.655 -0.455 19274 8161 1 20 . 1 1 52 52 MET CA C 52 59.191 59.191 57.433 1.758 19274 8162 1 20 . 1 1 52 52 MET CB C 52 33.580 33.580 32.739 0.841 19274 8163 1 20 . 1 1 52 52 MET H H 52 7.998 7.998 8.027 -0.029 19274 8164 1 20 . 1 1 53 53 ILE N N 53 120.910 120.910 120.585 0.325 19274 8165 1 20 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.208 0.322 19274 8166 1 20 . 1 1 53 53 ILE C C 53 177.086 177.086 178.078 -0.992 19274 8167 1 20 . 1 1 53 53 ILE CA C 53 66.669 66.669 65.232 1.437 19274 8168 1 20 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.520 0.161 19274 8169 1 20 . 1 1 53 53 ILE H H 53 8.420 8.420 7.946 0.474 19274 8170 1 20 . 1 1 54 54 TYR N N 54 119.030 119.030 117.058 1.972 19274 8171 1 20 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.496 -0.196 19274 8172 1 20 . 1 1 54 54 TYR C C 54 177.910 177.910 177.845 0.065 19274 8173 1 20 . 1 1 54 54 TYR CA C 54 60.771 60.771 58.428 2.342 19274 8174 1 20 . 1 1 54 54 TYR CB C 54 37.550 37.550 36.923 0.627 19274 8175 1 20 . 1 1 54 54 TYR H H 54 7.850 7.850 8.080 -0.230 19274 8176 1 20 . 1 1 55 55 GLU N N 55 115.700 115.700 119.255 -3.555 19274 8177 1 20 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.231 -0.331 19274 8178 1 20 . 1 1 55 55 GLU C C 55 178.280 178.280 177.681 0.599 19274 8179 1 20 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.843 0.548 19274 8180 1 20 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.740 -0.230 19274 8181 1 20 . 1 1 55 55 GLU H H 55 7.850 7.850 7.709 0.141 19274 8182 1 20 . 1 1 56 56 ALA N N 56 119.710 119.710 120.839 -1.129 19274 8183 1 20 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.291 0.099 19274 8184 1 20 . 1 1 56 56 ALA C C 56 177.670 177.670 176.901 0.769 19274 8185 1 20 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.240 -0.070 19274 8186 1 20 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.827 0.163 19274 8187 1 20 . 1 1 56 56 ALA H H 56 8.009 8.009 7.689 0.320 19274 8188 1 20 . 1 1 57 57 ASP N N 57 117.020 117.020 116.347 0.673 19274 8189 1 20 . 1 1 57 57 ASP HA H 57 5.340 5.340 4.918 0.422 19274 8190 1 20 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.868 0.442 19274 8191 1 20 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.939 -1.069 19274 8192 1 20 . 1 1 57 57 ASP H H 57 8.020 8.020 7.913 0.107 19274 8193 1 20 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.757 -0.447 19274 8194 1 20 . 1 1 58 58 PRO C C 58 178.470 178.470 177.531 0.939 19274 8195 1 20 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.105 1.226 19274 8196 1 20 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.280 -0.650 19274 8197 1 20 . 1 1 59 59 GLN N N 59 115.810 115.810 116.417 -0.607 19274 8198 1 20 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.186 0.324 19274 8199 1 20 . 1 1 59 59 GLN C C 59 176.290 176.290 175.627 0.663 19274 8200 1 20 . 1 1 59 59 GLN CA C 59 54.881 54.881 56.199 -1.318 19274 8201 1 20 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.911 -1.331 19274 8202 1 20 . 1 1 59 59 GLN H H 59 8.750 8.750 7.869 0.881 19274 8203 1 20 . 1 1 60 60 ASN N N 60 118.250 118.250 114.770 3.480 19274 8204 1 20 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.276 0.124 19274 8205 1 20 . 1 1 60 60 ASN C C 60 175.330 175.330 175.056 0.274 19274 8206 1 20 . 1 1 60 60 ASN CA C 60 54.411 54.411 54.016 0.395 19274 8207 1 20 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.148 -0.378 19274 8208 1 20 . 1 1 60 60 ASN H H 60 8.350 8.350 7.730 0.620 19274 8209 1 20 . 1 1 61 61 SER N N 61 118.650 118.650 115.731 2.919 19274 8210 1 20 . 1 1 61 61 SER HA H 61 4.300 4.300 4.398 -0.098 19274 8211 1 20 . 1 1 61 61 SER C C 61 176.810 176.810 175.617 1.193 19274 8212 1 20 . 1 1 61 61 SER CA C 61 60.881 60.881 59.600 1.281 19274 8213 1 20 . 1 1 61 61 SER CB C 61 65.031 65.031 63.923 1.108 19274 8214 1 20 . 1 1 61 61 SER H H 61 9.990 9.990 7.937 2.053 19274 8215 1 20 . 1 1 62 62 GLY N N 62 112.630 112.630 108.713 3.917 19274 8216 1 20 . 1 1 62 62 GLY C C 62 173.960 173.960 172.870 1.090 19274 8217 1 20 . 1 1 62 62 GLY CA C 62 45.330 45.330 44.870 0.460 19274 8218 1 20 . 1 1 62 62 GLY H H 62 10.440 10.440 8.095 2.345 19274 8219 1 20 . 1 1 63 63 TYR N N 63 121.250 121.250 119.806 1.444 19274 8220 1 20 . 1 1 63 63 TYR HA H 63 5.250 5.250 4.966 0.284 19274 8221 1 20 . 1 1 63 63 TYR C C 63 173.900 173.900 174.477 -0.577 19274 8222 1 20 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.323 -0.052 19274 8223 1 20 . 1 1 63 63 TYR CB C 63 42.760 42.760 39.865 2.895 19274 8224 1 20 . 1 1 63 63 TYR H H 63 8.180 8.180 7.795 0.385 19274 8225 1 20 . 1 1 64 64 VAL N N 64 115.490 115.490 123.391 -7.901 19274 8226 1 20 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.444 0.036 19274 8227 1 20 . 1 1 64 64 VAL C C 64 174.240 174.240 174.374 -0.134 19274 8228 1 20 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.754 0.427 19274 8229 1 20 . 1 1 64 64 VAL CB C 64 36.590 36.590 34.874 1.716 19274 8230 1 20 . 1 1 64 64 VAL H H 64 8.930 8.930 7.972 0.958 19274 8231 1 20 . 1 1 65 65 GLN N N 65 128.370 128.370 128.653 -0.283 19274 8232 1 20 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.275 0.155 19274 8233 1 20 . 1 1 65 65 GLN C C 65 177.110 177.110 176.583 0.527 19274 8234 1 20 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.541 -0.370 19274 8235 1 20 . 1 1 65 65 GLN CB C 65 27.790 27.790 28.334 -0.544 19274 8236 1 20 . 1 1 65 65 GLN H H 65 8.870 8.870 8.621 0.249 19274 8237 1 20 . 1 1 66 66 TYR N N 66 124.870 124.870 122.628 2.242 19274 8238 1 20 . 1 1 66 66 TYR HA H 66 4.010 4.010 4.003 0.007 19274 8239 1 20 . 1 1 66 66 TYR C C 66 176.650 176.650 176.831 -0.181 19274 8240 1 20 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.645 -0.364 19274 8241 1 20 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.022 0.488 19274 8242 1 20 . 1 1 66 66 TYR H H 66 7.490 7.490 8.387 -0.897 19274 8243 1 20 . 1 1 67 67 GLU N N 67 125.080 125.080 120.010 5.070 19274 8244 1 20 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.932 0.018 19274 8245 1 20 . 1 1 67 67 GLU C C 67 179.630 179.630 178.106 1.524 19274 8246 1 20 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.085 1.656 19274 8247 1 20 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.577 0.333 19274 8248 1 20 . 1 1 67 67 GLU H H 67 9.010 9.010 7.810 1.200 19274 8249 1 20 . 1 1 68 68 THR N N 68 114.620 114.620 113.373 1.247 19274 8250 1 20 . 1 1 68 68 THR HA H 68 4.000 4.000 4.086 -0.086 19274 8251 1 20 . 1 1 68 68 THR C C 68 176.510 176.510 176.677 -0.167 19274 8252 1 20 . 1 1 68 68 THR CA C 68 64.921 64.921 65.156 -0.235 19274 8253 1 20 . 1 1 68 68 THR CB C 68 68.451 68.451 68.899 -0.448 19274 8254 1 20 . 1 1 68 68 THR H H 68 7.550 7.550 7.878 -0.328 19274 8255 1 20 . 1 1 69 69 PHE N N 69 122.710 122.710 122.004 0.706 19274 8256 1 20 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.415 -0.285 19274 8257 1 20 . 1 1 69 69 PHE C C 69 177.160 177.160 176.580 0.580 19274 8258 1 20 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.348 1.443 19274 8259 1 20 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.489 0.581 19274 8260 1 20 . 1 1 69 69 PHE H H 69 7.740 7.740 7.846 -0.106 19274 8261 1 20 . 1 1 70 70 VAL N N 70 116.340 116.340 118.114 -1.774 19274 8262 1 20 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.306 0.384 19274 8263 1 20 . 1 1 70 70 VAL C C 70 178.010 178.010 177.914 0.096 19274 8264 1 20 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.454 0.937 19274 8265 1 20 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.215 0.405 19274 8266 1 20 . 1 1 70 70 VAL H H 70 8.600 8.600 7.970 0.630 19274 8267 1 20 . 1 1 71 71 GLY N N 71 105.990 105.990 107.837 -1.847 19274 8268 1 20 . 1 1 71 71 GLY C C 71 174.980 174.980 175.619 -0.639 19274 8269 1 20 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.157 -0.407 19274 8270 1 20 . 1 1 71 71 GLY H H 71 7.690 7.690 7.622 0.068 19274 8271 1 20 . 1 1 72 72 MET N N 72 117.740 117.740 119.670 -1.930 19274 8272 1 20 . 1 1 72 72 MET HA H 72 4.260 4.260 4.200 0.060 19274 8273 1 20 . 1 1 72 72 MET C C 72 176.400 176.400 177.728 -1.328 19274 8274 1 20 . 1 1 72 72 MET CA C 72 56.611 56.611 58.140 -1.529 19274 8275 1 20 . 1 1 72 72 MET CB C 72 33.000 33.000 32.215 0.785 19274 8276 1 20 . 1 1 72 72 MET H H 72 7.450 7.450 7.565 -0.115 19274 8277 1 20 . 1 1 73 73 LEU N N 73 118.370 118.370 119.295 -0.925 19274 8278 1 20 . 1 1 73 73 LEU HA H 73 4.020 4.020 2.612 1.408 19274 8279 1 20 . 1 1 73 73 LEU C C 73 176.700 176.700 178.457 -1.757 19274 8280 1 20 . 1 1 73 73 LEU CA C 73 55.521 55.521 57.367 -1.846 19274 8281 1 20 . 1 1 73 73 LEU CB C 73 43.100 43.100 40.531 2.569 19274 8282 1 20 . 1 1 73 73 LEU H H 73 7.380 7.380 7.321 0.059 19274 8283 1 20 . 1 1 74 74 PHE N N 74 117.280 117.280 113.520 3.760 19274 8284 1 20 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.372 0.118 19274 8285 1 20 . 1 1 74 74 PHE C C 74 175.380 175.380 176.979 -1.599 19274 8286 1 20 . 1 1 74 74 PHE CA C 74 57.381 57.381 59.354 -1.973 19274 8287 1 20 . 1 1 74 74 PHE CB C 74 38.410 38.410 39.294 -0.884 19274 8288 1 20 . 1 1 74 74 PHE H H 74 7.830 7.830 7.524 0.306 19274 8289 1 20 . 1 1 75 75 LEU N N 75 120.310 120.310 117.032 3.278 19274 8290 1 20 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.353 -0.203 19274 8291 1 20 . 1 1 75 75 LEU C C 75 176.640 176.640 177.261 -0.621 19274 8292 1 20 . 1 1 75 75 LEU CA C 75 55.451 55.451 55.041 0.410 19274 8293 1 20 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.967 -0.177 19274 8294 1 20 . 1 1 75 75 LEU H H 75 7.270 7.270 7.188 0.082 19274 8295 1 20 . 1 1 76 76 TRP N N 76 119.350 119.350 122.076 -2.726 19274 8296 1 20 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.407 0.403 19274 8297 1 20 . 1 1 76 76 TRP C C 76 175.050 175.050 176.609 -1.559 19274 8298 1 20 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.343 0.739 19274 8299 1 20 . 1 1 76 76 TRP CB C 76 29.700 29.700 28.028 1.672 19274 8300 1 20 . 1 1 76 76 TRP H H 76 7.870 7.870 7.464 0.406 19274 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 70 2.660 0.778 2.562 19274 2 1 1 "Average Difference" HA 77 0.253 -0.045 0.251 19274 3 1 1 "Average Difference" C 65 0.779 -0.110 0.777 19274 4 1 1 "Average Difference" CA 74 1.058 -0.290 1.025 19274 5 1 1 "Average Difference" CB 69 0.890 -0.267 0.855 19274 6 1 1 "Average Difference" HN 70 0.600 -0.203 0.569 19274 7 1 2 "Average Difference" N 70 2.475 0.269 2.478 19274 8 1 2 "Average Difference" HA 77 0.305 -0.069 0.299 19274 9 1 2 "Average Difference" C 65 0.839 -0.194 0.823 19274 10 1 2 "Average Difference" CA 74 1.001 -0.331 0.951 19274 11 1 2 "Average Difference" CB 69 0.828 -0.278 0.785 19274 12 1 2 "Average Difference" HN 70 0.610 -0.262 0.555 19274 13 1 3 "Average Difference" N 70 2.603 0.596 2.552 19274 14 1 3 "Average Difference" HA 77 0.244 -0.027 0.244 19274 15 1 3 "Average Difference" C 65 0.883 -0.285 0.842 19274 16 1 3 "Average Difference" CA 74 1.105 -0.240 1.086 19274 17 1 3 "Average Difference" CB 69 0.788 -0.045 0.793 19274 18 1 3 "Average Difference" HN 70 0.576 -0.227 0.533 19274 19 1 4 "Average Difference" N 70 2.261 0.393 2.243 19274 20 1 4 "Average Difference" HA 77 0.255 -0.021 0.256 19274 21 1 4 "Average Difference" C 65 0.960 -0.265 0.930 19274 22 1 4 "Average Difference" CA 74 1.079 -0.376 1.018 19274 23 1 4 "Average Difference" CB 69 0.745 -0.151 0.735 19274 24 1 4 "Average Difference" HN 70 0.605 -0.256 0.552 19274 25 1 5 "Average Difference" N 70 2.761 0.572 2.720 19274 26 1 5 "Average Difference" HA 77 0.260 -0.048 0.258 19274 27 1 5 "Average Difference" C 65 0.869 -0.244 0.841 19274 28 1 5 "Average Difference" CA 74 1.033 -0.376 0.969 19274 29 1 5 "Average Difference" CB 69 0.835 -0.216 0.813 19274 30 1 5 "Average Difference" HN 70 0.594 -0.232 0.551 19274 31 1 6 "Average Difference" N 70 2.660 0.569 2.618 19274 32 1 6 "Average Difference" HA 77 0.280 -0.050 0.277 19274 33 1 6 "Average Difference" C 65 0.867 -0.306 0.818 19274 34 1 6 "Average Difference" CA 74 1.051 -0.244 1.029 19274 35 1 6 "Average Difference" CB 69 0.890 -0.189 0.876 19274 36 1 6 "Average Difference" HN 70 0.584 -0.218 0.546 19274 37 1 7 "Average Difference" N 70 2.467 0.401 2.452 19274 38 1 7 "Average Difference" HA 77 0.252 -0.055 0.247 19274 39 1 7 "Average Difference" C 65 0.860 -0.240 0.832 19274 40 1 7 "Average Difference" CA 74 0.990 -0.300 0.950 19274 41 1 7 "Average Difference" CB 69 0.949 -0.310 0.903 19274 42 1 7 "Average Difference" HN 70 0.567 -0.255 0.510 19274 43 1 8 "Average Difference" N 70 2.284 0.367 2.270 19274 44 1 8 "Average Difference" HA 77 0.246 -0.050 0.242 19274 45 1 8 "Average Difference" C 65 0.794 -0.131 0.789 19274 46 1 8 "Average Difference" CA 74 0.898 -0.270 0.863 19274 47 1 8 "Average Difference" CB 69 0.888 -0.300 0.841 19274 48 1 8 "Average Difference" HN 70 0.579 -0.207 0.545 19274 49 1 9 "Average Difference" N 70 2.486 0.566 2.438 19274 50 1 9 "Average Difference" HA 77 0.271 -0.060 0.266 19274 51 1 9 "Average Difference" C 65 0.821 -0.194 0.804 19274 52 1 9 "Average Difference" CA 74 1.035 -0.236 1.015 19274 53 1 9 "Average Difference" CB 69 0.892 -0.303 0.845 19274 54 1 9 "Average Difference" HN 70 0.593 -0.228 0.551 19274 55 1 10 "Average Difference" N 70 2.637 0.511 2.606 19274 56 1 10 "Average Difference" HA 77 0.304 -0.072 0.297 19274 57 1 10 "Average Difference" C 65 0.867 -0.228 0.843 19274 58 1 10 "Average Difference" CA 74 1.106 -0.286 1.075 19274 59 1 10 "Average Difference" CB 69 0.892 -0.332 0.834 19274 60 1 10 "Average Difference" HN 70 0.609 -0.250 0.559 19274 61 1 11 "Average Difference" N 70 2.515 0.289 2.516 19274 62 1 11 "Average Difference" HA 77 0.319 -0.042 0.319 19274 63 1 11 "Average Difference" C 65 0.850 -0.227 0.826 19274 64 1 11 "Average Difference" CA 74 1.033 -0.365 0.973 19274 65 1 11 "Average Difference" CB 69 0.993 -0.268 0.963 19274 66 1 11 "Average Difference" HN 70 0.609 -0.235 0.566 19274 67 1 12 "Average Difference" N 70 2.362 0.455 2.334 19274 68 1 12 "Average Difference" HA 77 0.263 -0.035 0.262 19274 69 1 12 "Average Difference" C 65 0.845 -0.246 0.815 19274 70 1 12 "Average Difference" CA 74 0.985 -0.233 0.963 19274 71 1 12 "Average Difference" CB 69 0.844 -0.212 0.822 19274 72 1 12 "Average Difference" HN 70 0.562 -0.232 0.516 19274 73 1 13 "Average Difference" N 70 2.313 0.229 2.318 19274 74 1 13 "Average Difference" HA 77 0.284 -0.027 0.284 19274 75 1 13 "Average Difference" C 65 0.927 -0.262 0.896 19274 76 1 13 "Average Difference" CA 74 0.982 -0.262 0.953 19274 77 1 13 "Average Difference" CB 69 0.735 -0.204 0.711 19274 78 1 13 "Average Difference" HN 70 0.608 -0.252 0.558 19274 79 1 14 "Average Difference" N 70 2.703 0.225 2.713 19274 80 1 14 "Average Difference" HA 77 0.282 -0.043 0.280 19274 81 1 14 "Average Difference" C 65 0.953 -0.181 0.943 19274 82 1 14 "Average Difference" CA 74 1.082 -0.370 1.023 19274 83 1 14 "Average Difference" CB 69 1.080 -0.343 1.032 19274 84 1 14 "Average Difference" HN 70 0.591 -0.263 0.533 19274 85 1 15 "Average Difference" N 70 2.655 0.594 2.607 19274 86 1 15 "Average Difference" HA 77 0.266 -0.030 0.266 19274 87 1 15 "Average Difference" C 65 0.790 -0.269 0.749 19274 88 1 15 "Average Difference" CA 74 1.135 -0.343 1.090 19274 89 1 15 "Average Difference" CB 69 0.797 -0.105 0.796 19274 90 1 15 "Average Difference" HN 70 0.622 -0.216 0.587 19274 91 1 16 "Average Difference" N 70 2.623 0.616 2.568 19274 92 1 16 "Average Difference" HA 77 0.275 -0.035 0.274 19274 93 1 16 "Average Difference" C 65 0.859 -0.180 0.847 19274 94 1 16 "Average Difference" CA 74 1.090 -0.261 1.065 19274 95 1 16 "Average Difference" CB 69 0.904 -0.323 0.851 19274 96 1 16 "Average Difference" HN 70 0.618 -0.211 0.585 19274 97 1 17 "Average Difference" N 70 2.875 0.833 2.772 19274 98 1 17 "Average Difference" HA 77 0.262 -0.035 0.261 19274 99 1 17 "Average Difference" C 65 0.787 -0.219 0.762 19274 100 1 17 "Average Difference" CA 74 1.020 -0.241 0.998 19274 101 1 17 "Average Difference" CB 69 0.998 -0.223 0.980 19274 102 1 17 "Average Difference" HN 70 0.583 -0.216 0.546 19274 103 1 18 "Average Difference" N 70 2.833 0.787 2.742 19274 104 1 18 "Average Difference" HA 77 0.265 -0.036 0.264 19274 105 1 18 "Average Difference" C 65 0.896 -0.245 0.868 19274 106 1 18 "Average Difference" CA 74 1.112 -0.279 1.083 19274 107 1 18 "Average Difference" CB 69 0.824 -0.302 0.773 19274 108 1 18 "Average Difference" HN 70 0.590 -0.231 0.546 19274 109 1 19 "Average Difference" N 70 2.463 0.328 2.459 19274 110 1 19 "Average Difference" HA 77 0.311 -0.070 0.305 19274 111 1 19 "Average Difference" C 65 0.928 -0.161 0.921 19274 112 1 19 "Average Difference" CA 74 1.077 -0.242 1.057 19274 113 1 19 "Average Difference" CB 69 0.793 -0.307 0.737 19274 114 1 19 "Average Difference" HN 70 0.591 -0.271 0.529 19274 115 1 20 "Average Difference" N 70 2.751 0.428 2.737 19274 116 1 20 "Average Difference" HA 77 0.314 -0.059 0.311 19274 117 1 20 "Average Difference" C 65 0.845 -0.144 0.839 19274 118 1 20 "Average Difference" CA 74 1.179 -0.258 1.158 19274 119 1 20 "Average Difference" CB 69 0.829 -0.183 0.814 19274 120 1 20 "Average Difference" HN 70 0.639 -0.267 0.585 19274 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 19274 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 HIS CA C 3 55.070 55.070 56.204 -1.134 19274 2 1 . 1 1 3 3 HIS CB C 3 31.760 31.760 30.233 1.527 19274 3 1 . 1 1 4 4 MET N N 4 120.140 120.140 122.506 -2.366 19274 4 1 . 1 1 4 4 MET HA H 4 4.390 4.390 4.414 -0.024 19274 5 1 . 1 1 4 4 MET CA C 4 55.160 55.160 55.282 -0.122 19274 6 1 . 1 1 4 4 MET CB C 4 32.400 32.400 32.362 0.038 19274 7 1 . 1 1 4 4 MET H H 4 8.380 8.380 8.403 -0.023 19274 8 1 . 1 1 5 5 ASN N N 5 119.370 119.370 120.732 -1.362 19274 9 1 . 1 1 5 5 ASN CA C 5 53.670 53.670 53.091 0.579 19274 10 1 . 1 1 5 5 ASN CB C 5 38.690 38.690 38.780 -0.090 19274 11 1 . 1 1 5 5 ASN H H 5 8.360 8.360 8.343 0.017 19274 12 1 . 1 1 6 6 HIS HA H 6 4.700 4.700 4.604 0.096 19274 13 1 . 1 1 6 6 HIS C C 6 174.900 174.900 174.754 0.146 19274 14 1 . 1 1 6 6 HIS CA C 6 56.100 56.100 56.085 0.015 19274 15 1 . 1 1 6 6 HIS CB C 6 29.920 29.920 29.565 0.355 19274 16 1 . 1 1 7 7 ILE N N 7 121.430 121.430 125.466 -4.036 19274 17 1 . 1 1 7 7 ILE HA H 7 4.080 4.080 4.155 -0.075 19274 18 1 . 1 1 7 7 ILE C C 7 175.940 175.940 175.220 0.720 19274 19 1 . 1 1 7 7 ILE CA C 7 61.711 61.711 60.789 0.921 19274 20 1 . 1 1 7 7 ILE CB C 7 38.560 38.560 38.048 0.512 19274 21 1 . 1 1 7 7 ILE H H 7 8.090 8.090 8.034 0.056 19274 22 1 . 1 1 8 8 ASN N N 8 121.280 121.280 125.820 -4.540 19274 23 1 . 1 1 8 8 ASN HA H 8 4.880 4.880 4.796 0.084 19274 24 1 . 1 1 8 8 ASN C C 8 175.360 175.360 174.568 0.792 19274 25 1 . 1 1 8 8 ASN CA C 8 53.630 53.630 53.377 0.253 19274 26 1 . 1 1 8 8 ASN CB C 8 39.590 39.590 38.527 1.063 19274 27 1 . 1 1 8 8 ASN H H 8 8.520 8.520 8.560 -0.040 19274 28 1 . 1 1 9 9 THR N N 9 112.710 112.710 116.872 -4.162 19274 29 1 . 1 1 9 9 THR HA H 9 4.370 4.370 4.525 -0.155 19274 30 1 . 1 1 9 9 THR C C 9 174.690 174.690 174.600 0.090 19274 31 1 . 1 1 9 9 THR CA C 9 62.100 62.100 61.394 0.706 19274 32 1 . 1 1 9 9 THR CB C 9 71.021 71.021 70.710 0.310 19274 33 1 . 1 1 9 9 THR H H 9 8.020 8.020 7.839 0.181 19274 34 1 . 1 1 10 10 LYS N N 10 122.130 122.130 124.680 -2.550 19274 35 1 . 1 1 10 10 LYS HA H 10 3.260 3.260 3.715 -0.455 19274 36 1 . 1 1 10 10 LYS C C 10 177.710 177.710 177.552 0.158 19274 37 1 . 1 1 10 10 LYS CA C 10 60.200 60.200 58.297 1.903 19274 38 1 . 1 1 10 10 LYS CB C 10 32.070 32.070 31.647 0.423 19274 39 1 . 1 1 10 10 LYS H H 10 8.390 8.390 8.714 -0.324 19274 40 1 . 1 1 11 11 ALA N N 11 118.760 118.760 122.443 -3.683 19274 41 1 . 1 1 11 11 ALA HA H 11 4.040 4.040 4.028 0.012 19274 42 1 . 1 1 11 11 ALA C C 11 180.540 180.540 179.463 1.077 19274 43 1 . 1 1 11 11 ALA CA C 11 54.991 54.991 54.895 0.096 19274 44 1 . 1 1 11 11 ALA CB C 11 18.050 18.050 18.217 -0.167 19274 45 1 . 1 1 11 11 ALA H H 11 8.120 8.120 7.936 0.184 19274 46 1 . 1 1 12 12 GLN N N 12 116.840 116.840 117.411 -0.571 19274 47 1 . 1 1 12 12 GLN HA H 12 4.040 4.040 4.108 -0.068 19274 48 1 . 1 1 12 12 GLN C C 12 178.940 178.940 178.438 0.502 19274 49 1 . 1 1 12 12 GLN CA C 12 58.561 58.561 58.462 0.099 19274 50 1 . 1 1 12 12 GLN CB C 12 29.120 29.120 28.241 0.879 19274 51 1 . 1 1 12 12 GLN H H 12 7.700 7.700 7.796 -0.096 19274 52 1 . 1 1 13 13 VAL N N 13 121.610 121.610 119.734 1.876 19274 53 1 . 1 1 13 13 VAL HA H 13 3.460 3.460 3.747 -0.287 19274 54 1 . 1 1 13 13 VAL C C 13 176.920 176.920 177.501 -0.581 19274 55 1 . 1 1 13 13 VAL CA C 13 66.491 66.491 64.714 1.777 19274 56 1 . 1 1 13 13 VAL CB C 13 31.310 31.310 31.632 -0.322 19274 57 1 . 1 1 13 13 VAL H H 13 7.990 7.990 7.378 0.612 19274 58 1 . 1 1 14 14 ILE N N 14 118.850 118.850 120.071 -1.221 19274 59 1 . 1 1 14 14 ILE HA H 14 3.800 3.800 3.898 -0.098 19274 60 1 . 1 1 14 14 ILE C C 14 178.130 178.130 178.144 -0.014 19274 61 1 . 1 1 14 14 ILE CA C 14 65.410 65.410 65.170 0.240 19274 62 1 . 1 1 14 14 ILE CB C 14 37.170 37.170 37.654 -0.484 19274 63 1 . 1 1 14 14 ILE H H 14 8.220 8.220 7.516 0.704 19274 64 1 . 1 1 15 15 GLU N N 15 118.090 118.090 118.983 -0.893 19274 65 1 . 1 1 15 15 GLU HA H 15 3.960 3.960 4.041 -0.081 19274 66 1 . 1 1 15 15 GLU C C 15 178.310 178.310 178.725 -0.414 19274 67 1 . 1 1 15 15 GLU CA C 15 59.340 59.340 58.999 0.341 19274 68 1 . 1 1 15 15 GLU CB C 15 29.260 29.260 28.991 0.269 19274 69 1 . 1 1 15 15 GLU H H 15 7.940 7.940 8.176 -0.236 19274 70 1 . 1 1 16 16 ALA N N 16 120.860 120.860 122.068 -1.208 19274 71 1 . 1 1 16 16 ALA HA H 16 4.130 4.130 4.112 0.018 19274 72 1 . 1 1 16 16 ALA C C 16 180.840 180.840 179.610 1.230 19274 73 1 . 1 1 16 16 ALA CA C 16 54.801 54.801 54.810 -0.009 19274 74 1 . 1 1 16 16 ALA CB C 16 17.790 17.790 18.136 -0.346 19274 75 1 . 1 1 16 16 ALA H H 16 7.560 7.560 7.556 0.004 19274 76 1 . 1 1 17 17 PHE N N 17 116.830 116.830 116.968 -0.138 19274 77 1 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.243 0.147 19274 78 1 . 1 1 17 17 PHE C C 17 177.550 177.550 177.537 0.013 19274 79 1 . 1 1 17 17 PHE CA C 17 59.931 59.931 61.752 -1.821 19274 80 1 . 1 1 17 17 PHE CB C 17 37.890 37.890 38.204 -0.314 19274 81 1 . 1 1 17 17 PHE H H 17 7.730 7.730 7.631 0.099 19274 82 1 . 1 1 18 18 LYS N N 18 119.360 119.360 118.775 0.585 19274 83 1 . 1 1 18 18 LYS HA H 18 3.970 3.970 4.200 -0.230 19274 84 1 . 1 1 18 18 LYS C C 18 178.860 178.860 178.042 0.818 19274 85 1 . 1 1 18 18 LYS CA C 18 59.631 59.631 58.674 0.957 19274 86 1 . 1 1 18 18 LYS CB C 18 32.460 32.460 32.192 0.268 19274 87 1 . 1 1 18 18 LYS H H 18 8.290 8.290 7.626 0.664 19274 88 1 . 1 1 19 19 VAL N N 19 116.479 116.479 118.364 -1.885 19274 89 1 . 1 1 19 19 VAL HA H 19 3.650 3.650 3.782 -0.132 19274 90 1 . 1 1 19 19 VAL C C 19 177.020 177.020 177.210 -0.190 19274 91 1 . 1 1 19 19 VAL CA C 19 65.051 65.051 65.048 0.003 19274 92 1 . 1 1 19 19 VAL CB C 19 31.990 31.990 31.787 0.203 19274 93 1 . 1 1 19 19 VAL H H 19 7.400 7.400 7.571 -0.171 19274 94 1 . 1 1 20 20 PHE N N 20 118.120 118.120 119.594 -1.474 19274 95 1 . 1 1 20 20 PHE HA H 20 4.330 4.330 4.133 0.197 19274 96 1 . 1 1 20 20 PHE C C 20 175.750 175.750 176.040 -0.290 19274 97 1 . 1 1 20 20 PHE CA C 20 58.791 58.791 59.624 -0.833 19274 98 1 . 1 1 20 20 PHE CB C 20 39.980 39.980 39.413 0.567 19274 99 1 . 1 1 20 20 PHE H H 20 7.260 7.260 7.350 -0.090 19274 100 1 . 1 1 21 21 ASP N N 21 120.640 120.640 119.347 1.293 19274 101 1 . 1 1 21 21 ASP HA H 21 5.130 5.130 4.490 0.640 19274 102 1 . 1 1 21 21 ASP C C 21 176.520 176.520 176.297 0.223 19274 103 1 . 1 1 21 21 ASP CA C 21 52.540 52.540 53.526 -0.987 19274 104 1 . 1 1 21 21 ASP CB C 21 39.980 39.980 40.234 -0.254 19274 105 1 . 1 1 21 21 ASP H H 21 7.910 7.910 8.089 -0.179 19274 106 1 . 1 1 22 22 ARG N N 22 124.740 124.740 123.832 0.908 19274 107 1 . 1 1 22 22 ARG HA H 22 4.130 4.130 4.219 -0.088 19274 108 1 . 1 1 22 22 ARG C C 22 177.980 177.980 177.127 0.853 19274 109 1 . 1 1 22 22 ARG CA C 22 58.431 58.431 57.368 1.063 19274 110 1 . 1 1 22 22 ARG CB C 22 30.390 30.390 30.301 0.089 19274 111 1 . 1 1 22 22 ARG H H 22 8.120 8.120 7.782 0.338 19274 112 1 . 1 1 23 23 ASP N N 23 116.400 116.400 117.969 -1.569 19274 113 1 . 1 1 23 23 ASP HA H 23 4.750 4.750 4.533 0.217 19274 114 1 . 1 1 23 23 ASP C C 23 176.750 176.750 176.594 0.156 19274 115 1 . 1 1 23 23 ASP CA C 23 54.721 54.721 54.451 0.270 19274 116 1 . 1 1 23 23 ASP CB C 23 41.220 41.220 41.117 0.103 19274 117 1 . 1 1 23 23 ASP H H 23 8.670 8.670 8.065 0.605 19274 118 1 . 1 1 24 24 GLY N N 24 110.310 110.310 107.779 2.531 19274 119 1 . 1 1 24 24 GLY C C 24 175.410 175.410 174.881 0.529 19274 120 1 . 1 1 24 24 GLY CA C 24 47.064 47.064 45.238 1.826 19274 121 1 . 1 1 24 24 GLY H H 24 8.000 8.000 7.969 0.031 19274 122 1 . 1 1 25 25 ASN N N 25 118.870 118.870 118.685 0.185 19274 123 1 . 1 1 25 25 ASN HA H 25 4.860 4.860 4.448 0.412 19274 124 1 . 1 1 25 25 ASN C C 25 176.610 176.610 176.257 0.353 19274 125 1 . 1 1 25 25 ASN CA C 25 53.150 53.150 53.983 -0.833 19274 126 1 . 1 1 25 25 ASN CB C 25 39.430 39.430 38.902 0.528 19274 127 1 . 1 1 25 25 ASN H H 25 9.250 9.250 8.511 0.739 19274 128 1 . 1 1 26 26 GLY N N 26 110.130 110.130 106.797 3.333 19274 129 1 . 1 1 26 26 GLY C C 26 173.300 173.300 172.982 0.318 19274 130 1 . 1 1 26 26 GLY CA C 26 45.590 45.590 45.448 0.142 19274 131 1 . 1 1 26 26 GLY H H 26 10.110 10.110 8.411 1.699 19274 132 1 . 1 1 27 27 TYR N N 27 118.030 118.030 117.083 0.947 19274 133 1 . 1 1 27 27 TYR HA H 27 5.650 5.650 5.225 0.425 19274 134 1 . 1 1 27 27 TYR C C 27 176.130 176.130 173.687 2.443 19274 135 1 . 1 1 27 27 TYR CA C 27 57.291 57.291 55.892 1.399 19274 136 1 . 1 1 27 27 TYR CB C 27 41.490 41.490 40.760 0.730 19274 137 1 . 1 1 27 27 TYR H H 27 8.010 8.010 7.115 0.895 19274 138 1 . 1 1 28 28 VAL N N 28 111.260 111.260 116.890 -5.630 19274 139 1 . 1 1 28 28 VAL HA H 28 5.140 5.140 4.830 0.310 19274 140 1 . 1 1 28 28 VAL C C 28 175.330 175.330 175.811 -0.481 19274 141 1 . 1 1 28 28 VAL CA C 28 59.091 59.091 59.880 -0.789 19274 142 1 . 1 1 28 28 VAL CB C 28 36.340 36.340 35.589 0.751 19274 143 1 . 1 1 28 28 VAL H H 28 8.810 8.810 8.796 0.015 19274 144 1 . 1 1 29 29 THR N N 29 111.560 111.560 113.078 -1.518 19274 145 1 . 1 1 29 29 THR HA H 29 4.680 4.680 4.752 -0.072 19274 146 1 . 1 1 29 29 THR C C 29 176.260 176.260 175.972 0.288 19274 147 1 . 1 1 29 29 THR CA C 29 60.761 60.761 61.561 -0.800 19274 148 1 . 1 1 29 29 THR CB C 29 69.981 69.981 69.967 0.014 19274 149 1 . 1 1 29 29 THR H H 29 7.450 7.450 8.422 -0.972 19274 150 1 . 1 1 30 30 VAL N N 30 119.990 119.990 121.715 -1.725 19274 151 1 . 1 1 30 30 VAL HA H 30 3.560 3.560 3.803 -0.243 19274 152 1 . 1 1 30 30 VAL C C 30 177.080 177.080 176.573 0.507 19274 153 1 . 1 1 30 30 VAL CA C 30 65.941 65.941 64.882 1.059 19274 154 1 . 1 1 30 30 VAL CB C 30 31.400 31.400 31.864 -0.464 19274 155 1 . 1 1 30 30 VAL H H 30 7.990 7.990 7.999 -0.009 19274 156 1 . 1 1 31 31 ASP N N 31 117.730 117.730 120.593 -2.863 19274 157 1 . 1 1 31 31 ASP HA H 31 4.320 4.320 4.274 0.046 19274 158 1 . 1 1 31 31 ASP C C 31 178.650 178.650 177.777 0.873 19274 159 1 . 1 1 31 31 ASP CA C 31 57.411 57.411 57.758 -0.347 19274 160 1 . 1 1 31 31 ASP CB C 31 40.710 40.710 40.681 0.029 19274 161 1 . 1 1 31 31 ASP H H 31 8.060 8.060 8.413 -0.353 19274 162 1 . 1 1 32 32 TYR N N 32 121.060 121.060 120.004 1.056 19274 163 1 . 1 1 32 32 TYR HA H 32 4.200 4.200 4.041 0.159 19274 164 1 . 1 1 32 32 TYR C C 32 177.040 177.040 177.112 -0.072 19274 165 1 . 1 1 32 32 TYR CA C 32 61.171 61.171 60.748 0.423 19274 166 1 . 1 1 32 32 TYR CB C 32 37.840 37.840 38.224 -0.384 19274 167 1 . 1 1 32 32 TYR H H 32 7.760 7.760 7.450 0.310 19274 168 1 . 1 1 33 33 LEU N N 33 120.480 120.480 120.679 -0.199 19274 169 1 . 1 1 33 33 LEU HA H 33 3.950 3.950 4.170 -0.220 19274 170 1 . 1 1 33 33 LEU C C 33 178.060 178.060 178.703 -0.643 19274 171 1 . 1 1 33 33 LEU CA C 33 58.780 58.780 58.678 0.102 19274 172 1 . 1 1 33 33 LEU CB C 33 42.140 42.140 42.088 0.052 19274 173 1 . 1 1 33 33 LEU H H 33 8.170 8.170 7.775 0.395 19274 174 1 . 1 1 34 34 ARG N N 34 115.900 115.900 117.647 -1.747 19274 175 1 . 1 1 34 34 ARG HA H 34 3.690 3.690 4.000 -0.310 19274 176 1 . 1 1 34 34 ARG C C 34 178.210 178.210 178.616 -0.406 19274 177 1 . 1 1 34 34 ARG CA C 34 60.381 60.381 59.456 0.925 19274 178 1 . 1 1 34 34 ARG CB C 34 30.330 30.330 30.022 0.308 19274 179 1 . 1 1 34 34 ARG H H 34 8.260 8.260 8.041 0.219 19274 180 1 . 1 1 35 35 LYS N N 35 119.800 119.800 120.101 -0.301 19274 181 1 . 1 1 35 35 LYS HA H 35 3.960 3.960 3.945 0.015 19274 182 1 . 1 1 35 35 LYS CA C 35 59.851 59.851 59.492 0.359 19274 183 1 . 1 1 35 35 LYS CB C 35 32.610 32.610 32.178 0.432 19274 184 1 . 1 1 35 35 LYS H H 35 7.460 7.460 7.380 0.080 19274 185 1 . 1 1 36 36 VAL N N 36 119.380 119.380 119.085 0.295 19274 186 1 . 1 1 36 36 VAL HA H 36 3.500 3.500 3.719 -0.219 19274 187 1 . 1 1 36 36 VAL C C 36 178.790 178.790 177.524 1.266 19274 188 1 . 1 1 36 36 VAL CA C 36 66.191 66.191 64.818 1.373 19274 189 1 . 1 1 36 36 VAL CB C 36 31.820 31.820 31.462 0.358 19274 190 1 . 1 1 36 36 VAL H H 36 8.020 8.020 7.308 0.712 19274 191 1 . 1 1 37 37 LEU N N 37 116.970 116.970 118.407 -1.437 19274 192 1 . 1 1 37 37 LEU HA H 37 4.060 4.060 4.165 -0.105 19274 193 1 . 1 1 37 37 LEU C C 37 179.560 179.560 178.150 1.410 19274 194 1 . 1 1 37 37 LEU CA C 37 57.991 57.991 56.611 1.380 19274 195 1 . 1 1 37 37 LEU CB C 37 41.010 41.010 41.177 -0.167 19274 196 1 . 1 1 37 37 LEU H H 37 8.250 8.250 7.576 0.674 19274 197 1 . 1 1 38 38 ASN N N 38 116.710 116.710 118.093 -1.383 19274 198 1 . 1 1 38 38 ASN HA H 38 4.580 4.580 4.489 0.091 19274 199 1 . 1 1 38 38 ASN C C 38 177.520 177.520 176.976 0.544 19274 200 1 . 1 1 38 38 ASN CA C 38 55.950 55.950 55.905 0.045 19274 201 1 . 1 1 38 38 ASN CB C 38 39.090 39.090 38.935 0.155 19274 202 1 . 1 1 38 38 ASN H H 38 8.120 8.120 7.837 0.283 19274 203 1 . 1 1 39 39 GLU N N 39 118.700 118.700 119.200 -0.500 19274 204 1 . 1 1 39 39 GLU HA H 39 4.250 4.250 4.147 0.103 19274 205 1 . 1 1 39 39 GLU C C 39 177.680 177.680 178.275 -0.595 19274 206 1 . 1 1 39 39 GLU CA C 39 57.801 57.801 58.416 -0.615 19274 207 1 . 1 1 39 39 GLU CB C 39 29.570 29.570 29.569 0.001 19274 208 1 . 1 1 39 39 GLU H H 39 7.800 7.800 7.766 0.034 19274 209 1 . 1 1 40 40 LEU N N 40 118.760 118.760 118.506 0.254 19274 210 1 . 1 1 40 40 LEU HA H 40 4.370 4.370 4.434 -0.064 19274 211 1 . 1 1 40 40 LEU C C 40 177.940 177.940 178.010 -0.070 19274 212 1 . 1 1 40 40 LEU CA C 40 55.751 55.751 55.360 0.391 19274 213 1 . 1 1 40 40 LEU CB C 40 42.130 42.130 42.051 0.079 19274 214 1 . 1 1 40 40 LEU H H 40 7.710 7.710 7.615 0.095 19274 215 1 . 1 1 41 41 GLY N N 41 106.700 106.700 107.199 -0.499 19274 216 1 . 1 1 41 41 GLY CA C 41 46.100 46.100 45.147 0.953 19274 217 1 . 1 1 41 41 GLY H H 41 7.780 7.780 7.601 0.179 19274 218 1 . 1 1 42 42 ASP N N 42 120.920 120.920 121.724 -0.804 19274 219 1 . 1 1 42 42 ASP HA H 42 4.560 4.560 4.474 0.086 19274 220 1 . 1 1 42 42 ASP C C 42 176.280 176.280 177.327 -1.047 19274 221 1 . 1 1 42 42 ASP CA C 42 54.891 54.891 56.247 -1.356 19274 222 1 . 1 1 42 42 ASP CB C 42 40.410 40.410 41.181 -0.771 19274 223 1 . 1 1 42 42 ASP H H 42 8.440 8.440 7.966 0.474 19274 224 1 . 1 1 43 43 MET N N 43 118.550 118.550 117.186 1.364 19274 225 1 . 1 1 43 43 MET HA H 43 4.380 4.380 4.443 -0.063 19274 226 1 . 1 1 43 43 MET C C 43 175.810 175.810 176.041 -0.232 19274 227 1 . 1 1 43 43 MET CA C 43 56.801 56.801 56.114 0.687 19274 228 1 . 1 1 43 43 MET CB C 43 33.140 33.140 33.346 -0.206 19274 229 1 . 1 1 43 43 MET H H 43 8.180 8.180 7.944 0.236 19274 230 1 . 1 1 44 44 MET N N 44 119.050 119.050 119.807 -0.757 19274 231 1 . 1 1 44 44 MET HA H 44 4.870 4.870 4.800 0.070 19274 232 1 . 1 1 44 44 MET CA C 44 53.170 53.170 51.723 1.447 19274 233 1 . 1 1 44 44 MET CB C 44 33.870 33.870 32.570 1.300 19274 234 1 . 1 1 44 44 MET H H 44 7.920 7.920 7.608 0.312 19274 235 1 . 1 1 45 45 PRO HA H 45 4.530 4.530 4.457 0.073 19274 236 1 . 1 1 45 45 PRO C C 45 177.450 177.450 176.832 0.619 19274 237 1 . 1 1 45 45 PRO CA C 45 62.751 62.751 63.062 -0.311 19274 238 1 . 1 1 45 45 PRO CB C 45 32.340 32.340 31.925 0.415 19274 239 1 . 1 1 46 46 ALA N N 46 126.480 126.480 128.528 -2.048 19274 240 1 . 1 1 46 46 ALA HA H 46 4.090 4.090 4.044 0.046 19274 241 1 . 1 1 46 46 ALA CA C 46 55.531 55.531 54.645 0.886 19274 242 1 . 1 1 46 46 ALA CB C 46 18.870 18.870 18.624 0.246 19274 243 1 . 1 1 46 46 ALA H H 46 8.660 8.660 8.607 0.053 19274 244 1 . 1 1 47 47 ASP N N 47 115.320 115.320 118.353 -3.033 19274 245 1 . 1 1 47 47 ASP HA H 47 4.400 4.400 4.397 0.003 19274 246 1 . 1 1 47 47 ASP C C 47 179.710 179.710 178.365 1.345 19274 247 1 . 1 1 47 47 ASP CA C 47 56.701 56.701 57.792 -1.091 19274 248 1 . 1 1 47 47 ASP CB C 47 39.690 39.690 40.446 -0.756 19274 249 1 . 1 1 47 47 ASP H H 47 8.840 8.840 8.695 0.145 19274 250 1 . 1 1 48 48 GLU N N 48 120.590 120.590 119.433 1.157 19274 251 1 . 1 1 48 48 GLU HA H 48 4.270 4.270 4.154 0.116 19274 252 1 . 1 1 48 48 GLU C C 48 178.700 178.700 178.937 -0.237 19274 253 1 . 1 1 48 48 GLU CA C 48 58.521 58.521 58.984 -0.463 19274 254 1 . 1 1 48 48 GLU CB C 48 29.900 29.900 29.401 0.499 19274 255 1 . 1 1 48 48 GLU H H 48 7.580 7.580 7.944 -0.364 19274 256 1 . 1 1 49 49 ILE N N 49 119.990 119.990 119.991 -0.001 19274 257 1 . 1 1 49 49 ILE HA H 49 3.780 3.780 3.913 -0.133 19274 258 1 . 1 1 49 49 ILE C C 49 177.640 177.640 178.410 -0.770 19274 259 1 . 1 1 49 49 ILE CA C 49 65.131 65.131 65.089 0.042 19274 260 1 . 1 1 49 49 ILE CB C 49 37.700 37.700 37.996 -0.296 19274 261 1 . 1 1 49 49 ILE H H 49 7.690 7.690 7.619 0.071 19274 262 1 . 1 1 50 50 GLU N N 50 117.290 117.290 119.234 -1.944 19274 263 1 . 1 1 50 50 GLU HA H 50 3.970 3.970 4.062 -0.092 19274 264 1 . 1 1 50 50 GLU C C 50 179.400 179.400 179.105 0.295 19274 265 1 . 1 1 50 50 GLU CA C 50 59.181 59.181 59.596 -0.415 19274 266 1 . 1 1 50 50 GLU CB C 50 28.650 28.650 29.140 -0.490 19274 267 1 . 1 1 50 50 GLU H H 50 8.040 8.040 8.308 -0.268 19274 268 1 . 1 1 51 51 GLU N N 51 119.160 119.160 119.359 -0.199 19274 269 1 . 1 1 51 51 GLU HA H 51 4.220 4.220 3.953 0.267 19274 270 1 . 1 1 51 51 GLU C C 51 179.810 179.810 178.996 0.814 19274 271 1 . 1 1 51 51 GLU CA C 51 59.451 59.451 58.927 0.524 19274 272 1 . 1 1 51 51 GLU CB C 51 29.310 29.310 29.452 -0.142 19274 273 1 . 1 1 51 51 GLU H H 51 7.750 7.750 7.746 0.004 19274 274 1 . 1 1 52 52 MET N N 52 118.780 118.780 117.610 1.170 19274 275 1 . 1 1 52 52 MET HA H 52 4.200 4.200 4.466 -0.266 19274 276 1 . 1 1 52 52 MET CA C 52 59.191 59.191 57.796 1.395 19274 277 1 . 1 1 52 52 MET CB C 52 33.580 33.580 32.627 0.954 19274 278 1 . 1 1 52 52 MET H H 52 7.998 7.998 7.766 0.232 19274 279 1 . 1 1 53 53 ILE N N 53 120.910 120.910 120.045 0.865 19274 280 1 . 1 1 53 53 ILE HA H 53 3.530 3.530 3.253 0.277 19274 281 1 . 1 1 53 53 ILE C C 53 177.086 177.086 177.830 -0.744 19274 282 1 . 1 1 53 53 ILE CA C 53 66.669 66.669 64.974 1.695 19274 283 1 . 1 1 53 53 ILE CB C 53 37.680 37.680 37.476 0.204 19274 284 1 . 1 1 53 53 ILE H H 53 8.420 8.420 8.031 0.389 19274 285 1 . 1 1 54 54 TYR N N 54 119.030 119.030 118.176 0.854 19274 286 1 . 1 1 54 54 TYR HA H 54 4.300 4.300 4.308 -0.008 19274 287 1 . 1 1 54 54 TYR C C 54 177.910 177.910 177.808 0.102 19274 288 1 . 1 1 54 54 TYR CA C 54 60.771 60.771 59.578 1.193 19274 289 1 . 1 1 54 54 TYR CB C 54 37.550 37.550 37.381 0.169 19274 290 1 . 1 1 54 54 TYR H H 54 7.850 7.850 7.947 -0.097 19274 291 1 . 1 1 55 55 GLU N N 55 115.700 115.700 118.008 -2.308 19274 292 1 . 1 1 55 55 GLU HA H 55 3.900 3.900 4.213 -0.313 19274 293 1 . 1 1 55 55 GLU C C 55 178.280 178.280 177.640 0.640 19274 294 1 . 1 1 55 55 GLU CA C 55 58.391 58.391 57.798 0.593 19274 295 1 . 1 1 55 55 GLU CB C 55 29.510 29.510 29.359 0.151 19274 296 1 . 1 1 55 55 GLU H H 55 7.850 7.850 7.713 0.137 19274 297 1 . 1 1 56 56 ALA N N 56 119.710 119.710 121.406 -1.696 19274 298 1 . 1 1 56 56 ALA HA H 56 4.390 4.390 4.133 0.257 19274 299 1 . 1 1 56 56 ALA C C 56 177.670 177.670 176.763 0.907 19274 300 1 . 1 1 56 56 ALA CA C 56 53.170 53.170 53.540 -0.370 19274 301 1 . 1 1 56 56 ALA CB C 56 19.990 19.990 19.336 0.653 19274 302 1 . 1 1 56 56 ALA H H 56 8.009 8.009 7.537 0.472 19274 303 1 . 1 1 57 57 ASP N N 57 117.020 117.020 116.652 0.368 19274 304 1 . 1 1 57 57 ASP HA H 57 5.340 5.340 5.038 0.302 19274 305 1 . 1 1 57 57 ASP CA C 57 52.310 52.310 51.058 1.252 19274 306 1 . 1 1 57 57 ASP CB C 57 40.870 40.870 41.896 -1.026 19274 307 1 . 1 1 57 57 ASP H H 57 8.020 8.020 7.858 0.162 19274 308 1 . 1 1 58 58 PRO HA H 58 4.310 4.310 4.642 -0.332 19274 309 1 . 1 1 58 58 PRO C C 58 178.470 178.470 177.458 1.012 19274 310 1 . 1 1 58 58 PRO CA C 58 65.331 65.331 64.097 1.234 19274 311 1 . 1 1 58 58 PRO CB C 58 31.630 31.630 32.369 -0.739 19274 312 1 . 1 1 59 59 GLN N N 59 115.810 115.810 116.657 -0.847 19274 313 1 . 1 1 59 59 GLN HA H 59 4.510 4.510 4.222 0.288 19274 314 1 . 1 1 59 59 GLN C C 59 176.290 176.290 175.759 0.531 19274 315 1 . 1 1 59 59 GLN CA C 59 54.881 54.881 55.763 -0.882 19274 316 1 . 1 1 59 59 GLN CB C 59 27.580 27.580 28.609 -1.029 19274 317 1 . 1 1 59 59 GLN H H 59 8.750 8.750 8.057 0.693 19274 318 1 . 1 1 60 60 ASN N N 60 118.250 118.250 115.448 2.802 19274 319 1 . 1 1 60 60 ASN HA H 60 4.400 4.400 4.384 0.016 19274 320 1 . 1 1 60 60 ASN C C 60 175.330 175.330 174.966 0.364 19274 321 1 . 1 1 60 60 ASN CA C 60 54.411 54.411 53.846 0.565 19274 322 1 . 1 1 60 60 ASN CB C 60 36.770 36.770 37.188 -0.419 19274 323 1 . 1 1 60 60 ASN H H 60 8.350 8.350 8.041 0.309 19274 324 1 . 1 1 61 61 SER N N 61 118.650 118.650 114.797 3.853 19274 325 1 . 1 1 61 61 SER HA H 61 4.300 4.300 4.439 -0.139 19274 326 1 . 1 1 61 61 SER C C 61 176.810 176.810 175.162 1.648 19274 327 1 . 1 1 61 61 SER CA C 61 60.881 60.881 59.174 1.707 19274 328 1 . 1 1 61 61 SER CB C 61 65.031 65.031 63.985 1.046 19274 329 1 . 1 1 61 61 SER H H 61 9.990 9.990 8.106 1.884 19274 330 1 . 1 1 62 62 GLY N N 62 112.630 112.630 108.880 3.750 19274 331 1 . 1 1 62 62 GLY C C 62 173.960 173.960 173.066 0.894 19274 332 1 . 1 1 62 62 GLY CA C 62 45.330 45.330 45.104 0.226 19274 333 1 . 1 1 62 62 GLY H H 62 10.440 10.440 8.044 2.397 19274 334 1 . 1 1 63 63 TYR N N 63 121.250 121.250 119.317 1.933 19274 335 1 . 1 1 63 63 TYR HA H 63 5.250 5.250 5.069 0.181 19274 336 1 . 1 1 63 63 TYR C C 63 173.900 173.900 174.469 -0.569 19274 337 1 . 1 1 63 63 TYR CA C 63 57.271 57.271 57.109 0.162 19274 338 1 . 1 1 63 63 TYR CB C 63 42.760 42.760 40.083 2.677 19274 339 1 . 1 1 63 63 TYR H H 63 8.180 8.180 7.815 0.365 19274 340 1 . 1 1 64 64 VAL N N 64 115.490 115.490 121.919 -6.429 19274 341 1 . 1 1 64 64 VAL HA H 64 4.480 4.480 4.461 0.019 19274 342 1 . 1 1 64 64 VAL C C 64 174.240 174.240 174.421 -0.181 19274 343 1 . 1 1 64 64 VAL CA C 64 60.181 60.181 59.594 0.586 19274 344 1 . 1 1 64 64 VAL CB C 64 36.590 36.590 35.367 1.223 19274 345 1 . 1 1 64 64 VAL H H 64 8.930 8.930 8.413 0.517 19274 346 1 . 1 1 65 65 GLN N N 65 128.370 128.370 129.149 -0.779 19274 347 1 . 1 1 65 65 GLN HA H 65 4.430 4.430 4.355 0.075 19274 348 1 . 1 1 65 65 GLN C C 65 177.110 177.110 176.526 0.584 19274 349 1 . 1 1 65 65 GLN CA C 65 55.171 55.171 55.192 -0.021 19274 350 1 . 1 1 65 65 GLN CB C 65 27.790 27.790 27.461 0.329 19274 351 1 . 1 1 65 65 GLN H H 65 8.870 8.870 8.771 0.099 19274 352 1 . 1 1 66 66 TYR N N 66 124.870 124.870 122.619 2.251 19274 353 1 . 1 1 66 66 TYR HA H 66 4.010 4.010 3.959 0.051 19274 354 1 . 1 1 66 66 TYR C C 66 176.650 176.650 176.843 -0.193 19274 355 1 . 1 1 66 66 TYR CA C 66 60.281 60.281 60.656 -0.375 19274 356 1 . 1 1 66 66 TYR CB C 66 37.510 37.510 37.009 0.501 19274 357 1 . 1 1 66 66 TYR H H 66 7.490 7.490 8.125 -0.635 19274 358 1 . 1 1 67 67 GLU N N 67 125.080 125.080 118.967 6.113 19274 359 1 . 1 1 67 67 GLU HA H 67 3.950 3.950 3.877 0.073 19274 360 1 . 1 1 67 67 GLU C C 67 179.630 179.630 178.195 1.435 19274 361 1 . 1 1 67 67 GLU CA C 67 60.741 60.741 59.276 1.465 19274 362 1 . 1 1 67 67 GLU CB C 67 28.910 28.910 28.769 0.141 19274 363 1 . 1 1 67 67 GLU H H 67 9.010 9.010 8.072 0.938 19274 364 1 . 1 1 68 68 THR N N 68 114.620 114.620 113.523 1.097 19274 365 1 . 1 1 68 68 THR HA H 68 4.000 4.000 4.093 -0.093 19274 366 1 . 1 1 68 68 THR C C 68 176.510 176.510 176.331 0.179 19274 367 1 . 1 1 68 68 THR CA C 68 64.921 64.921 65.010 -0.089 19274 368 1 . 1 1 68 68 THR CB C 68 68.451 68.451 68.719 -0.268 19274 369 1 . 1 1 68 68 THR H H 68 7.550 7.550 7.538 0.012 19274 370 1 . 1 1 69 69 PHE N N 69 122.710 122.710 122.848 -0.138 19274 371 1 . 1 1 69 69 PHE HA H 69 4.130 4.130 4.290 -0.160 19274 372 1 . 1 1 69 69 PHE C C 69 177.160 177.160 176.629 0.531 19274 373 1 . 1 1 69 69 PHE CA C 69 61.791 61.791 60.699 1.092 19274 374 1 . 1 1 69 69 PHE CB C 69 40.070 40.070 39.176 0.894 19274 375 1 . 1 1 69 69 PHE H H 69 7.740 7.740 7.873 -0.133 19274 376 1 . 1 1 70 70 VAL N N 70 116.340 116.340 117.933 -1.593 19274 377 1 . 1 1 70 70 VAL HA H 70 3.690 3.690 3.355 0.335 19274 378 1 . 1 1 70 70 VAL C C 70 178.010 178.010 178.152 -0.142 19274 379 1 . 1 1 70 70 VAL CA C 70 66.391 66.391 65.920 0.471 19274 380 1 . 1 1 70 70 VAL CB C 70 31.620 31.620 31.006 0.614 19274 381 1 . 1 1 70 70 VAL H H 70 8.600 8.600 8.128 0.472 19274 382 1 . 1 1 71 71 GLY N N 71 105.990 105.990 107.825 -1.835 19274 383 1 . 1 1 71 71 GLY C C 71 174.980 174.980 175.484 -0.504 19274 384 1 . 1 1 71 71 GLY CA C 71 46.750 46.750 47.068 -0.318 19274 385 1 . 1 1 71 71 GLY H H 71 7.690 7.690 7.757 -0.067 19274 386 1 . 1 1 72 72 MET N N 72 117.740 117.740 119.427 -1.687 19274 387 1 . 1 1 72 72 MET HA H 72 4.260 4.260 4.313 -0.053 19274 388 1 . 1 1 72 72 MET C C 72 176.400 176.400 177.601 -1.201 19274 389 1 . 1 1 72 72 MET CA C 72 56.611 56.611 56.984 -0.373 19274 390 1 . 1 1 72 72 MET CB C 72 33.000 33.000 32.641 0.359 19274 391 1 . 1 1 72 72 MET H H 72 7.450 7.450 7.512 -0.062 19274 392 1 . 1 1 73 73 LEU N N 73 118.370 118.370 119.664 -1.294 19274 393 1 . 1 1 73 73 LEU HA H 73 4.020 4.020 3.423 0.597 19274 394 1 . 1 1 73 73 LEU C C 73 176.700 176.700 177.482 -0.782 19274 395 1 . 1 1 73 73 LEU CA C 73 55.521 55.521 56.796 -1.275 19274 396 1 . 1 1 73 73 LEU CB C 73 43.100 43.100 41.584 1.515 19274 397 1 . 1 1 73 73 LEU H H 73 7.380 7.380 7.508 -0.128 19274 398 1 . 1 1 74 74 PHE N N 74 117.280 117.280 115.663 1.617 19274 399 1 . 1 1 74 74 PHE HA H 74 4.490 4.490 4.209 0.281 19274 400 1 . 1 1 74 74 PHE C C 74 175.380 175.380 176.090 -0.710 19274 401 1 . 1 1 74 74 PHE CA C 74 57.381 57.381 58.343 -0.963 19274 402 1 . 1 1 74 74 PHE CB C 74 38.410 38.410 38.525 -0.115 19274 403 1 . 1 1 74 74 PHE H H 74 7.830 7.830 7.628 0.202 19274 404 1 . 1 1 75 75 LEU N N 75 120.310 120.310 118.523 1.787 19274 405 1 . 1 1 75 75 LEU HA H 75 4.150 4.150 4.346 -0.196 19274 406 1 . 1 1 75 75 LEU C C 75 176.640 176.640 177.151 -0.511 19274 407 1 . 1 1 75 75 LEU CA C 75 55.451 55.451 54.780 0.671 19274 408 1 . 1 1 75 75 LEU CB C 75 41.790 41.790 41.432 0.358 19274 409 1 . 1 1 75 75 LEU H H 75 7.270 7.270 7.270 -0.000 19274 410 1 . 1 1 76 76 TRP N N 76 119.350 119.350 121.057 -1.707 19274 411 1 . 1 1 76 76 TRP HA H 76 4.810 4.810 4.518 0.292 19274 412 1 . 1 1 76 76 TRP C C 76 175.050 175.050 176.597 -1.547 19274 413 1 . 1 1 76 76 TRP CA C 76 57.081 57.081 56.510 0.571 19274 414 1 . 1 1 76 76 TRP CB C 76 29.700 29.700 27.970 1.730 19274 415 1 . 1 1 76 76 TRP H H 76 7.870 7.870 7.458 0.412 19274 stop_ save_