data_19287 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19287 _Entry.PDB_ID 2M99 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 19287 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.452 -0.435 19287 2 1 1 . 1 1 2 2 PRO C C 2 177.920 177.920 177.512 0.408 19287 3 1 1 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.299 0.501 19287 4 1 1 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.793 -0.743 19287 5 1 1 . 1 1 3 3 ARG N N 3 122.340 122.340 122.423 -0.083 19287 6 1 1 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.986 -0.200 19287 7 1 1 . 1 1 3 3 ARG C C 3 178.950 178.950 177.751 1.199 19287 8 1 1 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.962 0.448 19287 9 1 1 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.448 -0.228 19287 10 1 1 . 1 1 3 3 ARG H H 3 8.550 8.550 8.796 -0.246 19287 11 1 1 . 1 1 4 4 PHE N N 4 113.010 113.010 118.201 -5.191 19287 12 1 1 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.556 -0.256 19287 13 1 1 . 1 1 4 4 PHE C C 4 176.070 176.070 176.316 -0.246 19287 14 1 1 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.100 0.120 19287 15 1 1 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.099 -0.789 19287 16 1 1 . 1 1 4 4 PHE H H 4 7.150 7.150 7.696 -0.546 19287 17 1 1 . 1 1 5 5 CYS N N 5 118.600 118.600 117.160 1.440 19287 18 1 1 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.023 0.107 19287 19 1 1 . 1 1 5 5 CYS C C 5 173.450 173.450 174.561 -1.111 19287 20 1 1 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.366 -2.406 19287 21 1 1 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.272 13.938 19287 22 1 1 . 1 1 5 5 CYS H H 5 7.090 7.090 7.392 -0.302 19287 23 1 1 . 1 1 6 6 GLU N N 6 110.710 110.710 117.696 -6.986 19287 24 1 1 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.406 -0.224 19287 25 1 1 . 1 1 6 6 GLU C C 6 176.310 176.310 176.443 -0.133 19287 26 1 1 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.270 0.240 19287 27 1 1 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.623 -1.463 19287 28 1 1 . 1 1 6 6 GLU H H 6 7.300 7.300 7.472 -0.172 19287 29 1 1 . 1 1 7 7 LEU N N 7 119.090 119.090 121.084 -1.994 19287 30 1 1 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.335 -0.175 19287 31 1 1 . 1 1 7 7 LEU C C 7 176.630 176.630 175.994 0.636 19287 32 1 1 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.512 -0.002 19287 33 1 1 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.796 -0.466 19287 34 1 1 . 1 1 7 7 LEU H H 7 7.210 7.210 7.086 0.124 19287 35 1 1 . 1 1 8 8 ALA N N 8 124.490 124.490 122.185 2.305 19287 36 1 1 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.782 -0.532 19287 37 1 1 . 1 1 8 8 ALA C C 8 174.710 174.710 175.362 -0.652 19287 38 1 1 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.596 1.614 19287 39 1 1 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.333 -2.403 19287 40 1 1 . 1 1 8 8 ALA H H 8 8.280 8.280 8.406 -0.126 19287 41 1 1 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.666 -0.486 19287 42 1 1 . 1 1 9 9 PRO C C 9 176.700 176.700 176.571 0.129 19287 43 1 1 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.928 -1.438 19287 44 1 1 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.537 -1.177 19287 45 1 1 . 1 1 10 10 SER N N 10 112.100 112.100 120.904 -8.804 19287 46 1 1 . 1 1 10 10 SER HA H 10 4.630 4.630 4.323 0.307 19287 47 1 1 . 1 1 10 10 SER C C 10 174.190 174.190 175.067 -0.877 19287 48 1 1 . 1 1 10 10 SER CA C 10 55.360 55.360 57.008 -1.648 19287 49 1 1 . 1 1 10 10 SER CB C 10 64.550 64.550 62.252 2.298 19287 50 1 1 . 1 1 10 10 SER H H 10 7.450 7.450 8.341 -0.891 19287 51 1 1 . 1 1 11 11 ALA N N 11 129.980 129.980 126.635 3.345 19287 52 1 1 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.014 0.482 19287 53 1 1 . 1 1 11 11 ALA C C 11 178.510 178.510 179.028 -0.518 19287 54 1 1 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.215 0.595 19287 55 1 1 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.890 1.020 19287 56 1 1 . 1 1 11 11 ALA H H 11 9.210 9.210 8.273 0.937 19287 57 1 1 . 1 1 12 12 GLY N N 12 104.410 104.410 105.043 -0.633 19287 58 1 1 . 1 1 12 12 GLY C C 12 174.850 174.850 175.752 -0.902 19287 59 1 1 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.520 -1.070 19287 60 1 1 . 1 1 12 12 GLY H H 12 8.190 8.190 8.589 -0.399 19287 61 1 1 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.593 -0.343 19287 62 1 1 . 1 1 14 14 CYS C C 14 172.410 172.410 173.557 -1.147 19287 63 1 1 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.161 1.589 19287 64 1 1 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.477 8.652 19287 65 1 1 . 1 1 15 15 PHE N N 15 116.000 116.000 123.972 -7.972 19287 66 1 1 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.429 -0.049 19287 67 1 1 . 1 1 15 15 PHE C C 15 174.300 174.300 174.741 -0.441 19287 68 1 1 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.266 -1.436 19287 69 1 1 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.085 0.355 19287 70 1 1 . 1 1 15 15 PHE H H 15 7.960 7.960 8.594 -0.634 19287 71 1 1 . 1 1 16 16 ALA N N 16 125.630 125.630 129.738 -4.108 19287 72 1 1 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.596 -0.276 19287 73 1 1 . 1 1 16 16 ALA C C 16 174.300 174.300 175.468 -1.168 19287 74 1 1 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.441 -1.311 19287 75 1 1 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.404 -2.224 19287 76 1 1 . 1 1 16 16 ALA H H 16 7.800 7.800 7.808 -0.008 19287 77 1 1 . 1 1 17 17 PHE N N 17 116.330 116.330 122.359 -6.029 19287 78 1 1 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.670 -0.280 19287 79 1 1 . 1 1 17 17 PHE C C 17 175.310 175.310 174.060 1.250 19287 80 1 1 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.752 1.408 19287 81 1 1 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.257 -1.877 19287 82 1 1 . 1 1 17 17 PHE H H 17 7.330 7.330 8.456 -1.126 19287 83 1 1 . 1 1 18 18 VAL N N 18 122.890 122.890 124.613 -1.723 19287 84 1 1 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.714 -0.239 19287 85 1 1 . 1 1 18 18 VAL C C 18 173.590 173.590 173.364 0.226 19287 86 1 1 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.729 0.171 19287 87 1 1 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.858 0.042 19287 88 1 1 . 1 1 18 18 VAL H H 18 8.680 8.680 8.424 0.256 19287 89 1 1 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.680 -0.405 19287 90 1 1 . 1 1 19 19 PRO C C 19 176.940 176.940 176.423 0.517 19287 91 1 1 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.592 1.468 19287 92 1 1 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.780 -0.070 19287 93 1 1 . 1 1 20 20 SER N N 20 120.230 120.230 117.996 2.234 19287 94 1 1 . 1 1 20 20 SER HA H 20 4.780 4.780 4.737 0.043 19287 95 1 1 . 1 1 20 20 SER C C 20 170.900 170.900 172.808 -1.908 19287 96 1 1 . 1 1 20 20 SER CA C 20 57.450 57.450 56.930 0.520 19287 97 1 1 . 1 1 20 20 SER CB C 20 67.910 67.910 66.793 1.117 19287 98 1 1 . 1 1 20 20 SER H H 20 8.390 8.390 7.851 0.539 19287 99 1 1 . 1 1 21 21 TYR N N 21 118.220 118.220 119.055 -0.835 19287 100 1 1 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.123 0.477 19287 101 1 1 . 1 1 21 21 TYR C C 21 173.770 173.770 175.425 -1.655 19287 102 1 1 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.045 -0.305 19287 103 1 1 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.399 1.261 19287 104 1 1 . 1 1 21 21 TYR H H 21 9.020 9.020 8.948 0.072 19287 105 1 1 . 1 1 22 22 TYR N N 22 119.260 119.260 125.533 -6.273 19287 106 1 1 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.742 0.368 19287 107 1 1 . 1 1 22 22 TYR C C 22 172.610 172.610 174.184 -1.574 19287 108 1 1 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.373 -0.993 19287 109 1 1 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.732 -1.182 19287 110 1 1 . 1 1 22 22 TYR H H 22 9.410 9.410 9.561 -0.151 19287 111 1 1 . 1 1 23 23 TYR N N 23 123.200 123.200 125.639 -2.439 19287 112 1 1 . 1 1 23 23 TYR HA H 23 4.382 4.382 5.010 -0.628 19287 113 1 1 . 1 1 23 23 TYR C C 23 173.250 173.250 174.190 -0.940 19287 114 1 1 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.756 1.604 19287 115 1 1 . 1 1 23 23 TYR CB C 23 39.570 39.570 40.945 -1.375 19287 116 1 1 . 1 1 23 23 TYR H H 23 10.190 10.190 8.273 1.917 19287 117 1 1 . 1 1 24 24 ASN N N 24 126.280 126.280 127.063 -0.783 19287 118 1 1 . 1 1 24 24 ASN HA H 24 4.550 4.550 5.008 -0.458 19287 119 1 1 . 1 1 24 24 ASN C C 24 174.000 174.000 175.440 -1.440 19287 120 1 1 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.960 -0.600 19287 121 1 1 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.992 1.048 19287 122 1 1 . 1 1 24 24 ASN H H 24 7.890 7.890 8.625 -0.735 19287 123 1 1 . 1 1 25 25 GLN N N 25 122.760 122.760 122.785 -0.025 19287 124 1 1 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.794 -0.103 19287 125 1 1 . 1 1 25 25 GLN C C 25 175.670 175.670 177.080 -1.410 19287 126 1 1 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.453 -0.973 19287 127 1 1 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.992 0.128 19287 128 1 1 . 1 1 25 25 GLN H H 25 8.440 8.440 8.385 0.055 19287 129 1 1 . 1 1 26 26 TYR N N 26 119.190 119.190 119.400 -0.210 19287 130 1 1 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.257 -0.097 19287 131 1 1 . 1 1 26 26 TYR C C 26 176.520 176.520 176.776 -0.256 19287 132 1 1 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.033 0.136 19287 133 1 1 . 1 1 26 26 TYR CB C 26 36.880 36.880 38.044 -1.164 19287 134 1 1 . 1 1 26 26 TYR H H 26 7.810 7.810 8.137 -0.327 19287 135 1 1 . 1 1 27 27 SER N N 27 109.600 109.600 111.632 -2.032 19287 136 1 1 . 1 1 27 27 SER HA H 27 4.330 4.330 4.598 -0.268 19287 137 1 1 . 1 1 27 27 SER C C 27 174.830 174.830 173.729 1.101 19287 138 1 1 . 1 1 27 27 SER CA C 27 57.490 57.490 57.306 0.184 19287 139 1 1 . 1 1 27 27 SER CB C 27 64.640 64.640 63.966 0.674 19287 140 1 1 . 1 1 27 27 SER H H 27 7.350 7.350 7.625 -0.275 19287 141 1 1 . 1 1 28 28 ASN N N 28 119.830 119.830 118.964 0.866 19287 142 1 1 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.313 -0.253 19287 143 1 1 . 1 1 28 28 ASN C C 28 173.040 173.040 174.227 -1.187 19287 144 1 1 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.799 -0.969 19287 145 1 1 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.149 -0.749 19287 146 1 1 . 1 1 28 28 ASN H H 28 7.930 7.930 8.073 -0.143 19287 147 1 1 . 1 1 29 29 THR N N 29 103.070 103.070 111.553 -8.483 19287 148 1 1 . 1 1 29 29 THR HA H 29 4.441 4.441 4.675 -0.234 19287 149 1 1 . 1 1 29 29 THR C C 29 172.980 172.980 172.033 0.947 19287 150 1 1 . 1 1 29 29 THR CA C 29 58.920 58.920 61.421 -2.501 19287 151 1 1 . 1 1 29 29 THR CB C 29 73.260 73.260 71.080 2.180 19287 152 1 1 . 1 1 29 29 THR H H 29 6.990 6.990 7.593 -0.603 19287 153 1 1 . 1 1 30 30 CYS N N 30 118.340 118.340 118.365 -0.025 19287 154 1 1 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.367 0.095 19287 155 1 1 . 1 1 30 30 CYS C C 30 173.320 173.320 173.645 -0.325 19287 156 1 1 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.429 0.321 19287 157 1 1 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.770 18.910 19287 158 1 1 . 1 1 30 30 CYS H H 30 8.954 8.954 8.599 0.355 19287 159 1 1 . 1 1 31 31 HIS N N 31 118.930 118.930 120.034 -1.104 19287 160 1 1 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.034 -0.254 19287 161 1 1 . 1 1 31 31 HIS C C 31 172.790 172.790 173.844 -1.054 19287 162 1 1 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.335 -1.805 19287 163 1 1 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.303 -0.263 19287 164 1 1 . 1 1 31 31 HIS H H 31 9.010 9.010 9.403 -0.393 19287 165 1 1 . 1 1 32 32 SER N N 32 117.600 117.600 120.665 -3.065 19287 166 1 1 . 1 1 32 32 SER HA H 32 4.700 4.700 4.266 0.434 19287 167 1 1 . 1 1 32 32 SER C C 32 174.930 174.930 173.809 1.121 19287 168 1 1 . 1 1 32 32 SER CA C 32 57.980 57.980 59.289 -1.309 19287 169 1 1 . 1 1 32 32 SER CB C 32 64.440 64.440 63.039 1.401 19287 170 1 1 . 1 1 32 32 SER H H 32 8.740 8.740 8.261 0.479 19287 171 1 1 . 1 1 33 33 PHE N N 33 120.690 120.690 121.093 -0.403 19287 172 1 1 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.046 -0.256 19287 173 1 1 . 1 1 33 33 PHE C C 33 171.810 171.810 173.651 -1.841 19287 174 1 1 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.227 -0.027 19287 175 1 1 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.744 -1.514 19287 176 1 1 . 1 1 33 33 PHE H H 33 8.830 8.830 8.979 -0.149 19287 177 1 1 . 1 1 34 34 THR N N 34 116.650 116.650 111.782 4.868 19287 178 1 1 . 1 1 34 34 THR HA H 34 3.965 3.965 4.227 -0.262 19287 179 1 1 . 1 1 34 34 THR C C 34 172.600 172.600 172.531 0.069 19287 180 1 1 . 1 1 34 34 THR CA C 34 61.980 61.980 60.518 1.462 19287 181 1 1 . 1 1 34 34 THR CB C 34 68.530 68.530 69.771 -1.241 19287 182 1 1 . 1 1 34 34 THR H H 34 8.400 8.400 8.134 0.266 19287 183 1 1 . 1 1 35 35 TYR N N 35 127.790 127.790 126.470 1.320 19287 184 1 1 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.764 -0.264 19287 185 1 1 . 1 1 35 35 TYR C C 35 174.200 174.200 173.473 0.727 19287 186 1 1 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.683 -1.553 19287 187 1 1 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.183 -2.533 19287 188 1 1 . 1 1 35 35 TYR H H 35 8.010 8.010 8.336 -0.326 19287 189 1 1 . 1 1 39 39 GLY N N 39 103.730 103.730 111.852 -8.122 19287 190 1 1 . 1 1 39 39 GLY C C 39 175.700 175.700 173.625 2.075 19287 191 1 1 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.638 0.732 19287 192 1 1 . 1 1 39 39 GLY H H 39 8.500 8.500 8.287 0.213 19287 193 1 1 . 1 1 40 40 GLY N N 40 110.170 110.170 109.027 1.143 19287 194 1 1 . 1 1 40 40 GLY C C 40 173.140 173.140 173.195 -0.055 19287 195 1 1 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.767 -0.448 19287 196 1 1 . 1 1 40 40 GLY H H 40 8.670 8.670 7.987 0.683 19287 197 1 1 . 1 1 41 41 ASN N N 41 116.960 116.960 117.908 -0.948 19287 198 1 1 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.937 -0.377 19287 199 1 1 . 1 1 41 41 ASN C C 41 173.670 173.670 175.574 -1.904 19287 200 1 1 . 1 1 41 41 ASN CA C 41 51.850 51.850 51.710 0.140 19287 201 1 1 . 1 1 41 41 ASN CB C 41 40.230 40.230 41.596 -1.366 19287 202 1 1 . 1 1 41 41 ASN H H 41 8.790 8.790 8.579 0.211 19287 203 1 1 . 1 1 42 42 ALA N N 42 113.290 113.290 122.750 -9.460 19287 204 1 1 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.074 -0.354 19287 205 1 1 . 1 1 42 42 ALA C C 42 177.220 177.220 177.410 -0.190 19287 206 1 1 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.571 -1.761 19287 207 1 1 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.715 -0.735 19287 208 1 1 . 1 1 42 42 ALA H H 42 7.590 7.590 8.721 -1.131 19287 209 1 1 . 1 1 43 43 ASN N N 43 117.710 117.710 113.648 4.062 19287 210 1 1 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.525 0.175 19287 211 1 1 . 1 1 43 43 ASN C C 43 173.660 173.660 175.278 -1.618 19287 212 1 1 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.044 -3.414 19287 213 1 1 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.812 -2.972 19287 214 1 1 . 1 1 43 43 ASN H H 43 7.900 7.900 8.045 -0.145 19287 215 1 1 . 1 1 44 44 ARG N N 44 120.690 120.690 121.282 -0.592 19287 216 1 1 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.713 -0.021 19287 217 1 1 . 1 1 44 44 ARG C C 44 173.530 173.530 174.703 -1.173 19287 218 1 1 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.421 0.239 19287 219 1 1 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.672 1.778 19287 220 1 1 . 1 1 44 44 ARG H H 44 6.860 6.860 7.117 -0.257 19287 221 1 1 . 1 1 45 45 PHE N N 45 123.690 123.690 123.245 0.445 19287 222 1 1 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.914 -0.104 19287 223 1 1 . 1 1 45 45 PHE C C 45 175.420 175.420 175.614 -0.194 19287 224 1 1 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.739 -1.069 19287 225 1 1 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.952 0.838 19287 226 1 1 . 1 1 45 45 PHE H H 45 9.340 9.340 9.135 0.205 19287 227 1 1 . 1 1 46 46 ARG N N 46 120.920 120.920 118.894 2.026 19287 228 1 1 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.624 -0.227 19287 229 1 1 . 1 1 46 46 ARG C C 46 176.560 176.560 175.678 0.882 19287 230 1 1 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.013 2.197 19287 231 1 1 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.692 0.208 19287 232 1 1 . 1 1 46 46 ARG H H 46 9.080 9.080 8.826 0.254 19287 233 1 1 . 1 1 47 47 THR N N 47 102.800 102.800 113.028 -10.228 19287 234 1 1 . 1 1 47 47 THR HA H 47 4.660 4.660 4.336 0.324 19287 235 1 1 . 1 1 47 47 THR C C 47 174.110 174.110 173.106 1.004 19287 236 1 1 . 1 1 47 47 THR CA C 47 58.170 58.170 60.200 -2.030 19287 237 1 1 . 1 1 47 47 THR CB C 47 72.380 72.380 70.514 1.866 19287 238 1 1 . 1 1 47 47 THR H H 47 7.230 7.230 7.338 -0.108 19287 239 1 1 . 1 1 48 48 ILE N N 48 123.200 123.200 124.239 -1.039 19287 240 1 1 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.457 -0.556 19287 241 1 1 . 1 1 48 48 ILE C C 48 176.420 176.420 175.804 0.616 19287 242 1 1 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.226 0.774 19287 243 1 1 . 1 1 48 48 ILE CB C 48 37.060 37.060 37.928 -0.868 19287 244 1 1 . 1 1 48 48 ILE H H 48 8.110 8.110 7.998 0.112 19287 245 1 1 . 1 1 49 49 ASP N N 49 119.560 119.560 119.948 -0.388 19287 246 1 1 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.229 -0.099 19287 247 1 1 . 1 1 49 49 ASP C C 49 177.740 177.740 178.104 -0.364 19287 248 1 1 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.737 -1.047 19287 249 1 1 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.615 -0.645 19287 250 1 1 . 1 1 49 49 ASP H H 49 7.700 7.700 7.710 -0.010 19287 251 1 1 . 1 1 50 50 GLU N N 50 117.720 117.720 119.410 -1.690 19287 252 1 1 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.124 -0.414 19287 253 1 1 . 1 1 50 50 GLU C C 50 177.550 177.550 178.279 -0.729 19287 254 1 1 . 1 1 50 50 GLU CA C 50 58.550 58.550 59.007 -0.457 19287 255 1 1 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.729 -0.539 19287 256 1 1 . 1 1 50 50 GLU H H 50 7.410 7.410 7.607 -0.197 19287 257 1 1 . 1 1 51 51 CYS N N 51 120.260 120.260 119.553 0.707 19287 258 1 1 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.541 -0.891 19287 259 1 1 . 1 1 51 51 CYS C C 51 175.070 175.070 176.330 -1.260 19287 260 1 1 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.763 -2.643 19287 261 1 1 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.084 16.916 19287 262 1 1 . 1 1 51 51 CYS H H 51 6.760 6.760 7.640 -0.880 19287 263 1 1 . 1 1 52 52 ASN N N 52 120.160 120.160 119.397 0.763 19287 264 1 1 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.403 -0.313 19287 265 1 1 . 1 1 52 52 ASN C C 52 177.820 177.820 177.603 0.217 19287 266 1 1 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.036 -0.976 19287 267 1 1 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.997 -0.497 19287 268 1 1 . 1 1 52 52 ASN H H 52 8.650 8.650 8.527 0.123 19287 269 1 1 . 1 1 53 53 ARG N N 53 117.000 117.000 118.382 -1.382 19287 270 1 1 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.022 -0.252 19287 271 1 1 . 1 1 53 53 ARG C C 53 177.360 177.360 177.779 -0.419 19287 272 1 1 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.708 -0.218 19287 273 1 1 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.439 0.741 19287 274 1 1 . 1 1 53 53 ARG H H 53 7.900 7.900 7.720 0.180 19287 275 1 1 . 1 1 54 54 THR N N 54 112.080 112.080 111.831 0.249 19287 276 1 1 . 1 1 54 54 THR HA H 54 3.838 3.838 4.499 -0.661 19287 277 1 1 . 1 1 54 54 THR C C 54 174.990 174.990 174.655 0.335 19287 278 1 1 . 1 1 54 54 THR CA C 54 65.740 65.740 64.453 1.287 19287 279 1 1 . 1 1 54 54 THR CB C 54 68.870 68.870 70.259 -1.389 19287 280 1 1 . 1 1 54 54 THR H H 54 7.260 7.260 7.694 -0.434 19287 281 1 1 . 1 1 55 55 CYS N N 55 112.540 112.540 117.158 -4.618 19287 282 1 1 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.488 -0.088 19287 283 1 1 . 1 1 55 55 CYS C C 55 172.940 172.940 174.230 -1.290 19287 284 1 1 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.708 -4.478 19287 285 1 1 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.109 13.821 19287 286 1 1 . 1 1 55 55 CYS H H 55 7.590 7.590 7.595 -0.005 19287 287 1 1 . 1 1 56 56 VAL N N 56 119.720 119.720 123.331 -3.611 19287 288 1 1 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.126 -0.495 19287 289 1 1 . 1 1 56 56 VAL C C 56 176.710 176.710 175.910 0.800 19287 290 1 1 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.239 1.301 19287 291 1 1 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.953 0.017 19287 292 1 1 . 1 1 56 56 VAL H H 56 7.280 7.280 7.986 -0.706 19287 293 1 2 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.341 -0.324 19287 294 1 2 . 1 1 2 2 PRO C C 2 177.920 177.920 177.197 0.723 19287 295 1 2 . 1 1 2 2 PRO CA C 2 62.800 62.800 61.968 0.832 19287 296 1 2 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.443 -0.393 19287 297 1 2 . 1 1 3 3 ARG N N 3 122.340 122.340 121.591 0.749 19287 298 1 2 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.947 -0.161 19287 299 1 2 . 1 1 3 3 ARG C C 3 178.950 178.950 177.898 1.052 19287 300 1 2 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.167 0.243 19287 301 1 2 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.521 -0.301 19287 302 1 2 . 1 1 3 3 ARG H H 3 8.550 8.550 8.641 -0.091 19287 303 1 2 . 1 1 4 4 PHE N N 4 113.010 113.010 116.601 -3.591 19287 304 1 2 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.523 -0.223 19287 305 1 2 . 1 1 4 4 PHE C C 4 176.070 176.070 176.030 0.040 19287 306 1 2 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.228 -0.008 19287 307 1 2 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.867 -0.557 19287 308 1 2 . 1 1 4 4 PHE H H 4 7.150 7.150 7.767 -0.617 19287 309 1 2 . 1 1 5 5 CYS N N 5 118.600 118.600 116.984 1.616 19287 310 1 2 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.175 -0.045 19287 311 1 2 . 1 1 5 5 CYS C C 5 173.450 173.450 174.722 -1.272 19287 312 1 2 . 1 1 5 5 CYS CA C 5 57.960 57.960 59.989 -2.029 19287 313 1 2 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.788 13.422 19287 314 1 2 . 1 1 5 5 CYS H H 5 7.090 7.090 7.035 0.055 19287 315 1 2 . 1 1 6 6 GLU N N 6 110.710 110.710 117.984 -7.274 19287 316 1 2 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.492 -0.310 19287 317 1 2 . 1 1 6 6 GLU C C 6 176.310 176.310 176.333 -0.023 19287 318 1 2 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.209 0.301 19287 319 1 2 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.243 -1.083 19287 320 1 2 . 1 1 6 6 GLU H H 6 7.300 7.300 7.522 -0.222 19287 321 1 2 . 1 1 7 7 LEU N N 7 119.090 119.090 120.970 -1.880 19287 322 1 2 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.443 -0.283 19287 323 1 2 . 1 1 7 7 LEU C C 7 176.630 176.630 175.808 0.822 19287 324 1 2 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.248 0.261 19287 325 1 2 . 1 1 7 7 LEU CB C 7 42.330 42.330 43.140 -0.810 19287 326 1 2 . 1 1 7 7 LEU H H 7 7.210 7.210 7.118 0.092 19287 327 1 2 . 1 1 8 8 ALA N N 8 124.490 124.490 122.008 2.482 19287 328 1 2 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.839 -0.589 19287 329 1 2 . 1 1 8 8 ALA C C 8 174.710 174.710 175.256 -0.546 19287 330 1 2 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.485 1.725 19287 331 1 2 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.579 -2.649 19287 332 1 2 . 1 1 8 8 ALA H H 8 8.280 8.280 8.403 -0.123 19287 333 1 2 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.664 -0.484 19287 334 1 2 . 1 1 9 9 PRO C C 9 176.700 176.700 176.973 -0.273 19287 335 1 2 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.940 -1.450 19287 336 1 2 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.174 -1.814 19287 337 1 2 . 1 1 10 10 SER N N 10 112.100 112.100 121.913 -9.813 19287 338 1 2 . 1 1 10 10 SER HA H 10 4.630 4.630 4.394 0.236 19287 339 1 2 . 1 1 10 10 SER C C 10 174.190 174.190 174.960 -0.770 19287 340 1 2 . 1 1 10 10 SER CA C 10 55.360 55.360 56.524 -1.164 19287 341 1 2 . 1 1 10 10 SER CB C 10 64.550 64.550 62.053 2.497 19287 342 1 2 . 1 1 10 10 SER H H 10 7.450 7.450 8.672 -1.222 19287 343 1 2 . 1 1 11 11 ALA N N 11 129.980 129.980 124.177 5.803 19287 344 1 2 . 1 1 11 11 ALA HA H 11 4.496 4.496 3.923 0.573 19287 345 1 2 . 1 1 11 11 ALA C C 11 178.510 178.510 178.265 0.245 19287 346 1 2 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.107 0.703 19287 347 1 2 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.816 1.094 19287 348 1 2 . 1 1 11 11 ALA H H 11 9.210 9.210 8.105 1.105 19287 349 1 2 . 1 1 12 12 GLY N N 12 104.410 104.410 103.446 0.964 19287 350 1 2 . 1 1 12 12 GLY C C 12 174.850 174.850 175.658 -0.808 19287 351 1 2 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.340 -0.890 19287 352 1 2 . 1 1 12 12 GLY H H 12 8.190 8.190 8.510 -0.320 19287 353 1 2 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.652 -0.402 19287 354 1 2 . 1 1 14 14 CYS C C 14 172.410 172.410 173.546 -1.136 19287 355 1 2 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.238 1.512 19287 356 1 2 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.718 8.412 19287 357 1 2 . 1 1 15 15 PHE N N 15 116.000 116.000 122.826 -6.826 19287 358 1 2 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.613 -0.233 19287 359 1 2 . 1 1 15 15 PHE C C 15 174.300 174.300 174.675 -0.375 19287 360 1 2 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.191 -1.361 19287 361 1 2 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.800 -0.360 19287 362 1 2 . 1 1 15 15 PHE H H 15 7.960 7.960 8.636 -0.676 19287 363 1 2 . 1 1 16 16 ALA N N 16 125.630 125.630 131.254 -5.624 19287 364 1 2 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.631 -0.311 19287 365 1 2 . 1 1 16 16 ALA C C 16 174.300 174.300 175.644 -1.344 19287 366 1 2 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.446 -1.316 19287 367 1 2 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.513 -2.333 19287 368 1 2 . 1 1 16 16 ALA H H 16 7.800 7.800 7.656 0.144 19287 369 1 2 . 1 1 17 17 PHE N N 17 116.330 116.330 121.963 -5.633 19287 370 1 2 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.655 -0.265 19287 371 1 2 . 1 1 17 17 PHE C C 17 175.310 175.310 174.068 1.242 19287 372 1 2 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.949 1.211 19287 373 1 2 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.300 -1.921 19287 374 1 2 . 1 1 17 17 PHE H H 17 7.330 7.330 8.430 -1.100 19287 375 1 2 . 1 1 18 18 VAL N N 18 122.890 122.890 124.763 -1.873 19287 376 1 2 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.729 -0.254 19287 377 1 2 . 1 1 18 18 VAL C C 18 173.590 173.590 173.434 0.156 19287 378 1 2 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.732 0.168 19287 379 1 2 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.365 0.535 19287 380 1 2 . 1 1 18 18 VAL H H 18 8.680 8.680 8.521 0.159 19287 381 1 2 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.618 -0.343 19287 382 1 2 . 1 1 19 19 PRO C C 19 176.940 176.940 176.471 0.469 19287 383 1 2 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.762 1.298 19287 384 1 2 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.598 0.112 19287 385 1 2 . 1 1 20 20 SER N N 20 120.230 120.230 118.635 1.595 19287 386 1 2 . 1 1 20 20 SER HA H 20 4.780 4.780 5.007 -0.227 19287 387 1 2 . 1 1 20 20 SER C C 20 170.900 170.900 172.905 -2.005 19287 388 1 2 . 1 1 20 20 SER CA C 20 57.450 57.450 57.008 0.442 19287 389 1 2 . 1 1 20 20 SER CB C 20 67.910 67.910 66.633 1.276 19287 390 1 2 . 1 1 20 20 SER H H 20 8.390 8.390 8.133 0.257 19287 391 1 2 . 1 1 21 21 TYR N N 21 118.220 118.220 118.848 -0.628 19287 392 1 2 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.136 0.464 19287 393 1 2 . 1 1 21 21 TYR C C 21 173.770 173.770 175.144 -1.374 19287 394 1 2 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.266 -0.526 19287 395 1 2 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.793 0.867 19287 396 1 2 . 1 1 21 21 TYR H H 21 9.020 9.020 8.577 0.443 19287 397 1 2 . 1 1 22 22 TYR N N 22 119.260 119.260 124.493 -5.233 19287 398 1 2 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.575 0.535 19287 399 1 2 . 1 1 22 22 TYR C C 22 172.610 172.610 173.868 -1.258 19287 400 1 2 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.591 -1.211 19287 401 1 2 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.588 -1.038 19287 402 1 2 . 1 1 22 22 TYR H H 22 9.410 9.410 9.475 -0.065 19287 403 1 2 . 1 1 23 23 TYR N N 23 123.200 123.200 124.855 -1.655 19287 404 1 2 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.914 -0.532 19287 405 1 2 . 1 1 23 23 TYR C C 23 173.250 173.250 173.960 -0.710 19287 406 1 2 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.878 1.482 19287 407 1 2 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.031 -1.460 19287 408 1 2 . 1 1 23 23 TYR H H 23 10.190 10.190 8.528 1.662 19287 409 1 2 . 1 1 24 24 ASN N N 24 126.280 126.280 126.847 -0.567 19287 410 1 2 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.996 -0.446 19287 411 1 2 . 1 1 24 24 ASN C C 24 174.000 174.000 175.435 -1.435 19287 412 1 2 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.565 -0.205 19287 413 1 2 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.900 1.140 19287 414 1 2 . 1 1 24 24 ASN H H 24 7.890 7.890 8.494 -0.604 19287 415 1 2 . 1 1 25 25 GLN N N 25 122.760 122.760 122.755 0.005 19287 416 1 2 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.791 -0.100 19287 417 1 2 . 1 1 25 25 GLN C C 25 175.670 175.670 177.266 -1.596 19287 418 1 2 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.438 -0.958 19287 419 1 2 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.744 0.376 19287 420 1 2 . 1 1 25 25 GLN H H 25 8.440 8.440 8.275 0.165 19287 421 1 2 . 1 1 26 26 TYR N N 26 119.190 119.190 119.329 -0.139 19287 422 1 2 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.269 -0.109 19287 423 1 2 . 1 1 26 26 TYR C C 26 176.520 176.520 176.769 -0.249 19287 424 1 2 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.688 0.482 19287 425 1 2 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.969 -1.089 19287 426 1 2 . 1 1 26 26 TYR H H 26 7.810 7.810 7.827 -0.017 19287 427 1 2 . 1 1 27 27 SER N N 27 109.600 109.600 111.145 -1.545 19287 428 1 2 . 1 1 27 27 SER HA H 27 4.330 4.330 4.567 -0.237 19287 429 1 2 . 1 1 27 27 SER C C 27 174.830 174.830 173.906 0.924 19287 430 1 2 . 1 1 27 27 SER CA C 27 57.490 57.490 57.281 0.209 19287 431 1 2 . 1 1 27 27 SER CB C 27 64.640 64.640 64.296 0.343 19287 432 1 2 . 1 1 27 27 SER H H 27 7.350 7.350 7.758 -0.408 19287 433 1 2 . 1 1 28 28 ASN N N 28 119.830 119.830 119.252 0.578 19287 434 1 2 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.328 -0.268 19287 435 1 2 . 1 1 28 28 ASN C C 28 173.040 173.040 174.358 -1.318 19287 436 1 2 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.503 -0.673 19287 437 1 2 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.038 -0.638 19287 438 1 2 . 1 1 28 28 ASN H H 28 7.930 7.930 7.891 0.039 19287 439 1 2 . 1 1 29 29 THR N N 29 103.070 103.070 111.303 -8.233 19287 440 1 2 . 1 1 29 29 THR HA H 29 4.441 4.441 4.698 -0.257 19287 441 1 2 . 1 1 29 29 THR C C 29 172.980 172.980 172.126 0.854 19287 442 1 2 . 1 1 29 29 THR CA C 29 58.920 58.920 61.570 -2.650 19287 443 1 2 . 1 1 29 29 THR CB C 29 73.260 73.260 71.630 1.630 19287 444 1 2 . 1 1 29 29 THR H H 29 6.990 6.990 7.545 -0.555 19287 445 1 2 . 1 1 30 30 CYS N N 30 118.340 118.340 119.905 -1.565 19287 446 1 2 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.440 0.022 19287 447 1 2 . 1 1 30 30 CYS C C 30 173.320 173.320 173.612 -0.292 19287 448 1 2 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.468 0.282 19287 449 1 2 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.657 19.023 19287 450 1 2 . 1 1 30 30 CYS H H 30 8.954 8.954 8.682 0.272 19287 451 1 2 . 1 1 31 31 HIS N N 31 118.930 118.930 120.633 -1.703 19287 452 1 2 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.078 -0.298 19287 453 1 2 . 1 1 31 31 HIS C C 31 172.790 172.790 173.901 -1.111 19287 454 1 2 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.530 -2.000 19287 455 1 2 . 1 1 31 31 HIS CB C 31 33.040 33.040 32.869 0.171 19287 456 1 2 . 1 1 31 31 HIS H H 31 9.010 9.010 9.495 -0.485 19287 457 1 2 . 1 1 32 32 SER N N 32 117.600 117.600 121.132 -3.532 19287 458 1 2 . 1 1 32 32 SER HA H 32 4.700 4.700 4.330 0.370 19287 459 1 2 . 1 1 32 32 SER C C 32 174.930 174.930 173.803 1.127 19287 460 1 2 . 1 1 32 32 SER CA C 32 57.980 57.980 59.230 -1.250 19287 461 1 2 . 1 1 32 32 SER CB C 32 64.440 64.440 63.464 0.976 19287 462 1 2 . 1 1 32 32 SER H H 32 8.740 8.740 8.337 0.403 19287 463 1 2 . 1 1 33 33 PHE N N 33 120.690 120.690 119.796 0.894 19287 464 1 2 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.993 -0.203 19287 465 1 2 . 1 1 33 33 PHE C C 33 171.810 171.810 173.536 -1.726 19287 466 1 2 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.236 -0.036 19287 467 1 2 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.348 -1.118 19287 468 1 2 . 1 1 33 33 PHE H H 33 8.830 8.830 9.090 -0.260 19287 469 1 2 . 1 1 34 34 THR N N 34 116.650 116.650 112.204 4.446 19287 470 1 2 . 1 1 34 34 THR HA H 34 3.965 3.965 4.318 -0.353 19287 471 1 2 . 1 1 34 34 THR C C 34 172.600 172.600 172.415 0.185 19287 472 1 2 . 1 1 34 34 THR CA C 34 61.980 61.980 60.481 1.499 19287 473 1 2 . 1 1 34 34 THR CB C 34 68.530 68.530 69.419 -0.889 19287 474 1 2 . 1 1 34 34 THR H H 34 8.400 8.400 8.152 0.248 19287 475 1 2 . 1 1 35 35 TYR N N 35 127.790 127.790 126.079 1.711 19287 476 1 2 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.729 -0.229 19287 477 1 2 . 1 1 35 35 TYR C C 35 174.200 174.200 173.213 0.987 19287 478 1 2 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.768 -1.638 19287 479 1 2 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.931 -2.281 19287 480 1 2 . 1 1 35 35 TYR H H 35 8.010 8.010 7.871 0.139 19287 481 1 2 . 1 1 39 39 GLY N N 39 103.730 103.730 109.795 -6.065 19287 482 1 2 . 1 1 39 39 GLY C C 39 175.700 175.700 174.092 1.608 19287 483 1 2 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.897 0.473 19287 484 1 2 . 1 1 39 39 GLY H H 39 8.500 8.500 8.417 0.083 19287 485 1 2 . 1 1 40 40 GLY N N 40 110.170 110.170 112.249 -2.079 19287 486 1 2 . 1 1 40 40 GLY C C 40 173.140 173.140 173.058 0.082 19287 487 1 2 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.882 -0.562 19287 488 1 2 . 1 1 40 40 GLY H H 40 8.670 8.670 8.196 0.474 19287 489 1 2 . 1 1 41 41 ASN N N 41 116.960 116.960 117.743 -0.783 19287 490 1 2 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.942 -0.382 19287 491 1 2 . 1 1 41 41 ASN C C 41 173.670 173.670 175.535 -1.865 19287 492 1 2 . 1 1 41 41 ASN CA C 41 51.850 51.850 51.912 -0.062 19287 493 1 2 . 1 1 41 41 ASN CB C 41 40.230 40.230 42.069 -1.839 19287 494 1 2 . 1 1 41 41 ASN H H 41 8.790 8.790 8.719 0.071 19287 495 1 2 . 1 1 42 42 ALA N N 42 113.290 113.290 123.129 -9.839 19287 496 1 2 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.148 -0.428 19287 497 1 2 . 1 1 42 42 ALA C C 42 177.220 177.220 178.259 -1.039 19287 498 1 2 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.652 -1.842 19287 499 1 2 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.674 -0.694 19287 500 1 2 . 1 1 42 42 ALA H H 42 7.590 7.590 8.792 -1.202 19287 501 1 2 . 1 1 43 43 ASN N N 43 117.710 117.710 115.094 2.616 19287 502 1 2 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.734 -0.034 19287 503 1 2 . 1 1 43 43 ASN C C 43 173.660 173.660 175.505 -1.845 19287 504 1 2 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.604 -3.974 19287 505 1 2 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.770 -2.930 19287 506 1 2 . 1 1 43 43 ASN H H 43 7.900 7.900 8.122 -0.222 19287 507 1 2 . 1 1 44 44 ARG N N 44 120.690 120.690 121.811 -1.121 19287 508 1 2 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.610 0.082 19287 509 1 2 . 1 1 44 44 ARG C C 44 173.530 173.530 174.798 -1.268 19287 510 1 2 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.633 0.027 19287 511 1 2 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.546 1.904 19287 512 1 2 . 1 1 44 44 ARG H H 44 6.860 6.860 7.382 -0.522 19287 513 1 2 . 1 1 45 45 PHE N N 45 123.690 123.690 124.867 -1.177 19287 514 1 2 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.920 -0.110 19287 515 1 2 . 1 1 45 45 PHE C C 45 175.420 175.420 175.203 0.217 19287 516 1 2 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.801 -1.131 19287 517 1 2 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.637 1.153 19287 518 1 2 . 1 1 45 45 PHE H H 45 9.340 9.340 8.658 0.682 19287 519 1 2 . 1 1 46 46 ARG N N 46 120.920 120.920 117.129 3.791 19287 520 1 2 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.685 -0.288 19287 521 1 2 . 1 1 46 46 ARG C C 46 176.560 176.560 175.394 1.166 19287 522 1 2 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.473 2.737 19287 523 1 2 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.743 0.157 19287 524 1 2 . 1 1 46 46 ARG H H 46 9.080 9.080 8.712 0.368 19287 525 1 2 . 1 1 47 47 THR N N 47 102.800 102.800 112.304 -9.504 19287 526 1 2 . 1 1 47 47 THR HA H 47 4.660 4.660 4.251 0.409 19287 527 1 2 . 1 1 47 47 THR C C 47 174.110 174.110 173.549 0.561 19287 528 1 2 . 1 1 47 47 THR CA C 47 58.170 58.170 60.093 -1.923 19287 529 1 2 . 1 1 47 47 THR CB C 47 72.380 72.380 71.376 1.004 19287 530 1 2 . 1 1 47 47 THR H H 47 7.230 7.230 7.343 -0.113 19287 531 1 2 . 1 1 48 48 ILE N N 48 123.200 123.200 125.771 -2.571 19287 532 1 2 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.509 -0.608 19287 533 1 2 . 1 1 48 48 ILE C C 48 176.420 176.420 175.943 0.477 19287 534 1 2 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.675 0.325 19287 535 1 2 . 1 1 48 48 ILE CB C 48 37.060 37.060 37.982 -0.922 19287 536 1 2 . 1 1 48 48 ILE H H 48 8.110 8.110 7.910 0.200 19287 537 1 2 . 1 1 49 49 ASP N N 49 119.560 119.560 119.876 -0.316 19287 538 1 2 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.267 -0.137 19287 539 1 2 . 1 1 49 49 ASP C C 49 177.740 177.740 178.183 -0.443 19287 540 1 2 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.886 -1.196 19287 541 1 2 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.714 -0.744 19287 542 1 2 . 1 1 49 49 ASP H H 49 7.700 7.700 7.702 -0.002 19287 543 1 2 . 1 1 50 50 GLU N N 50 117.720 117.720 119.438 -1.718 19287 544 1 2 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.114 -0.404 19287 545 1 2 . 1 1 50 50 GLU C C 50 177.550 177.550 178.729 -1.179 19287 546 1 2 . 1 1 50 50 GLU CA C 50 58.550 58.550 59.051 -0.501 19287 547 1 2 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.725 -0.535 19287 548 1 2 . 1 1 50 50 GLU H H 50 7.410 7.410 7.760 -0.350 19287 549 1 2 . 1 1 51 51 CYS N N 51 120.260 120.260 119.542 0.718 19287 550 1 2 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.974 -2.324 19287 551 1 2 . 1 1 51 51 CYS C C 51 175.070 175.070 176.285 -1.215 19287 552 1 2 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.706 -2.587 19287 553 1 2 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.410 16.590 19287 554 1 2 . 1 1 51 51 CYS H H 51 6.760 6.760 8.169 -1.409 19287 555 1 2 . 1 1 52 52 ASN N N 52 120.160 120.160 120.231 -0.071 19287 556 1 2 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.445 -0.355 19287 557 1 2 . 1 1 52 52 ASN C C 52 177.820 177.820 177.692 0.128 19287 558 1 2 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.132 -1.072 19287 559 1 2 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.961 -0.461 19287 560 1 2 . 1 1 52 52 ASN H H 52 8.650 8.650 8.671 -0.021 19287 561 1 2 . 1 1 53 53 ARG N N 53 117.000 117.000 118.025 -1.025 19287 562 1 2 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.087 -0.317 19287 563 1 2 . 1 1 53 53 ARG C C 53 177.360 177.360 177.949 -0.589 19287 564 1 2 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.869 -0.379 19287 565 1 2 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.573 0.607 19287 566 1 2 . 1 1 53 53 ARG H H 53 7.900 7.900 8.073 -0.173 19287 567 1 2 . 1 1 54 54 THR N N 54 112.080 112.080 112.114 -0.034 19287 568 1 2 . 1 1 54 54 THR HA H 54 3.838 3.838 4.324 -0.486 19287 569 1 2 . 1 1 54 54 THR C C 54 174.990 174.990 174.268 0.722 19287 570 1 2 . 1 1 54 54 THR CA C 54 65.740 65.740 65.020 0.720 19287 571 1 2 . 1 1 54 54 THR CB C 54 68.870 68.870 69.975 -1.105 19287 572 1 2 . 1 1 54 54 THR H H 54 7.260 7.260 7.614 -0.354 19287 573 1 2 . 1 1 55 55 CYS N N 55 112.540 112.540 117.447 -4.907 19287 574 1 2 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.488 -0.088 19287 575 1 2 . 1 1 55 55 CYS C C 55 172.940 172.940 174.119 -1.179 19287 576 1 2 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.607 -4.377 19287 577 1 2 . 1 1 55 55 CYS CB C 55 42.930 42.930 28.948 13.982 19287 578 1 2 . 1 1 55 55 CYS H H 55 7.590 7.590 8.074 -0.484 19287 579 1 2 . 1 1 56 56 VAL N N 56 119.720 119.720 122.869 -3.149 19287 580 1 2 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.124 -0.493 19287 581 1 2 . 1 1 56 56 VAL C C 56 176.710 176.710 176.463 0.247 19287 582 1 2 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.309 2.231 19287 583 1 2 . 1 1 56 56 VAL CB C 56 30.970 30.970 29.416 1.554 19287 584 1 2 . 1 1 56 56 VAL H H 56 7.280 7.280 7.991 -0.711 19287 585 1 3 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.501 -0.484 19287 586 1 3 . 1 1 2 2 PRO C C 2 177.920 177.920 177.441 0.479 19287 587 1 3 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.123 0.677 19287 588 1 3 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.950 -0.901 19287 589 1 3 . 1 1 3 3 ARG N N 3 122.340 122.340 122.292 0.048 19287 590 1 3 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.186 -0.400 19287 591 1 3 . 1 1 3 3 ARG C C 3 178.950 178.950 178.334 0.616 19287 592 1 3 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.169 0.241 19287 593 1 3 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.598 -0.378 19287 594 1 3 . 1 1 3 3 ARG H H 3 8.550 8.550 8.829 -0.279 19287 595 1 3 . 1 1 4 4 PHE N N 4 113.010 113.010 117.278 -4.268 19287 596 1 3 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.531 -0.231 19287 597 1 3 . 1 1 4 4 PHE C C 4 176.070 176.070 176.563 -0.493 19287 598 1 3 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.751 -0.531 19287 599 1 3 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.093 -0.783 19287 600 1 3 . 1 1 4 4 PHE H H 4 7.150 7.150 8.015 -0.865 19287 601 1 3 . 1 1 5 5 CYS N N 5 118.600 118.600 117.849 0.751 19287 602 1 3 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.382 -0.252 19287 603 1 3 . 1 1 5 5 CYS C C 5 173.450 173.450 174.742 -1.292 19287 604 1 3 . 1 1 5 5 CYS CA C 5 57.960 57.960 59.785 -1.825 19287 605 1 3 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.545 13.665 19287 606 1 3 . 1 1 5 5 CYS H H 5 7.090 7.090 7.236 -0.146 19287 607 1 3 . 1 1 6 6 GLU N N 6 110.710 110.710 117.862 -7.152 19287 608 1 3 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.442 -0.260 19287 609 1 3 . 1 1 6 6 GLU C C 6 176.310 176.310 176.243 0.067 19287 610 1 3 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.188 0.322 19287 611 1 3 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.542 -1.382 19287 612 1 3 . 1 1 6 6 GLU H H 6 7.300 7.300 7.686 -0.386 19287 613 1 3 . 1 1 7 7 LEU N N 7 119.090 119.090 121.341 -2.251 19287 614 1 3 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.373 -0.213 19287 615 1 3 . 1 1 7 7 LEU C C 7 176.630 176.630 176.179 0.451 19287 616 1 3 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.141 0.369 19287 617 1 3 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.403 -0.073 19287 618 1 3 . 1 1 7 7 LEU H H 7 7.210 7.210 7.365 -0.155 19287 619 1 3 . 1 1 8 8 ALA N N 8 124.490 124.490 122.513 1.977 19287 620 1 3 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.759 -0.509 19287 621 1 3 . 1 1 8 8 ALA C C 8 174.710 174.710 175.647 -0.937 19287 622 1 3 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.690 1.520 19287 623 1 3 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.496 -2.566 19287 624 1 3 . 1 1 8 8 ALA H H 8 8.280 8.280 8.244 0.036 19287 625 1 3 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.553 -0.373 19287 626 1 3 . 1 1 9 9 PRO C C 9 176.700 176.700 176.501 0.199 19287 627 1 3 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.669 -1.179 19287 628 1 3 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.151 -1.791 19287 629 1 3 . 1 1 10 10 SER N N 10 112.100 112.100 124.028 -11.928 19287 630 1 3 . 1 1 10 10 SER HA H 10 4.630 4.630 4.390 0.240 19287 631 1 3 . 1 1 10 10 SER C C 10 174.190 174.190 174.648 -0.458 19287 632 1 3 . 1 1 10 10 SER CA C 10 55.360 55.360 58.043 -2.683 19287 633 1 3 . 1 1 10 10 SER CB C 10 64.550 64.550 61.563 2.987 19287 634 1 3 . 1 1 10 10 SER H H 10 7.450 7.450 8.704 -1.254 19287 635 1 3 . 1 1 11 11 ALA N N 11 129.980 129.980 123.916 6.064 19287 636 1 3 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.104 0.392 19287 637 1 3 . 1 1 11 11 ALA C C 11 178.510 178.510 177.347 1.163 19287 638 1 3 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.432 1.377 19287 639 1 3 . 1 1 11 11 ALA CB C 11 19.910 19.910 19.094 0.816 19287 640 1 3 . 1 1 11 11 ALA H H 11 9.210 9.210 7.906 1.304 19287 641 1 3 . 1 1 12 12 GLY N N 12 104.410 104.410 103.447 0.963 19287 642 1 3 . 1 1 12 12 GLY C C 12 174.850 174.850 175.424 -0.574 19287 643 1 3 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.020 0.430 19287 644 1 3 . 1 1 12 12 GLY H H 12 8.190 8.190 8.030 0.160 19287 645 1 3 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.625 -0.375 19287 646 1 3 . 1 1 14 14 CYS C C 14 172.410 172.410 173.465 -1.055 19287 647 1 3 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.125 1.625 19287 648 1 3 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.326 8.804 19287 649 1 3 . 1 1 15 15 PHE N N 15 116.000 116.000 123.855 -7.855 19287 650 1 3 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.537 -0.157 19287 651 1 3 . 1 1 15 15 PHE C C 15 174.300 174.300 174.628 -0.328 19287 652 1 3 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.301 -1.471 19287 653 1 3 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.832 0.608 19287 654 1 3 . 1 1 15 15 PHE H H 15 7.960 7.960 8.681 -0.721 19287 655 1 3 . 1 1 16 16 ALA N N 16 125.630 125.630 130.330 -4.700 19287 656 1 3 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.646 -0.326 19287 657 1 3 . 1 1 16 16 ALA C C 16 174.300 174.300 174.776 -0.476 19287 658 1 3 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.918 -1.788 19287 659 1 3 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.862 -2.682 19287 660 1 3 . 1 1 16 16 ALA H H 16 7.800 7.800 8.127 -0.327 19287 661 1 3 . 1 1 17 17 PHE N N 17 116.330 116.330 121.962 -5.632 19287 662 1 3 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.699 -0.309 19287 663 1 3 . 1 1 17 17 PHE C C 17 175.310 175.310 174.095 1.215 19287 664 1 3 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.740 1.420 19287 665 1 3 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.342 -0.962 19287 666 1 3 . 1 1 17 17 PHE H H 17 7.330 7.330 8.385 -1.055 19287 667 1 3 . 1 1 18 18 VAL N N 18 122.890 122.890 124.986 -2.096 19287 668 1 3 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.689 -0.214 19287 669 1 3 . 1 1 18 18 VAL C C 18 173.590 173.590 173.639 -0.049 19287 670 1 3 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.700 0.201 19287 671 1 3 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.902 -0.002 19287 672 1 3 . 1 1 18 18 VAL H H 18 8.680 8.680 8.278 0.402 19287 673 1 3 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.671 -0.396 19287 674 1 3 . 1 1 19 19 PRO C C 19 176.940 176.940 176.315 0.625 19287 675 1 3 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.664 1.396 19287 676 1 3 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.491 0.219 19287 677 1 3 . 1 1 20 20 SER N N 20 120.230 120.230 117.759 2.471 19287 678 1 3 . 1 1 20 20 SER HA H 20 4.780 4.780 4.663 0.117 19287 679 1 3 . 1 1 20 20 SER C C 20 170.900 170.900 173.109 -2.209 19287 680 1 3 . 1 1 20 20 SER CA C 20 57.450 57.450 56.055 1.395 19287 681 1 3 . 1 1 20 20 SER CB C 20 67.910 67.910 65.773 2.137 19287 682 1 3 . 1 1 20 20 SER H H 20 8.390 8.390 7.847 0.543 19287 683 1 3 . 1 1 21 21 TYR N N 21 118.220 118.220 119.427 -1.207 19287 684 1 3 . 1 1 21 21 TYR HA H 21 5.600 5.600 4.905 0.695 19287 685 1 3 . 1 1 21 21 TYR C C 21 173.770 173.770 174.558 -0.788 19287 686 1 3 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.912 -0.172 19287 687 1 3 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.992 0.668 19287 688 1 3 . 1 1 21 21 TYR H H 21 9.020 9.020 8.387 0.633 19287 689 1 3 . 1 1 22 22 TYR N N 22 119.260 119.260 125.583 -6.323 19287 690 1 3 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.610 0.500 19287 691 1 3 . 1 1 22 22 TYR C C 22 172.610 172.610 174.069 -1.459 19287 692 1 3 . 1 1 22 22 TYR CA C 22 55.380 55.380 55.861 -0.481 19287 693 1 3 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.239 -0.689 19287 694 1 3 . 1 1 22 22 TYR H H 22 9.410 9.410 9.415 -0.005 19287 695 1 3 . 1 1 23 23 TYR N N 23 123.200 123.200 128.605 -5.405 19287 696 1 3 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.971 -0.589 19287 697 1 3 . 1 1 23 23 TYR C C 23 173.250 173.250 174.717 -1.467 19287 698 1 3 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.246 1.114 19287 699 1 3 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.932 -0.362 19287 700 1 3 . 1 1 23 23 TYR H H 23 10.190 10.190 8.181 2.009 19287 701 1 3 . 1 1 24 24 ASN N N 24 126.280 126.280 128.007 -1.727 19287 702 1 3 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.966 -0.416 19287 703 1 3 . 1 1 24 24 ASN C C 24 174.000 174.000 175.523 -1.523 19287 704 1 3 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.424 -0.064 19287 705 1 3 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.263 1.778 19287 706 1 3 . 1 1 24 24 ASN H H 24 7.890 7.890 8.656 -0.766 19287 707 1 3 . 1 1 25 25 GLN N N 25 122.760 122.760 123.532 -0.772 19287 708 1 3 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.665 0.026 19287 709 1 3 . 1 1 25 25 GLN C C 25 175.670 175.670 176.728 -1.058 19287 710 1 3 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.155 -0.675 19287 711 1 3 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.479 0.641 19287 712 1 3 . 1 1 25 25 GLN H H 25 8.440 8.440 8.177 0.263 19287 713 1 3 . 1 1 26 26 TYR N N 26 119.190 119.190 119.710 -0.520 19287 714 1 3 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.282 -0.122 19287 715 1 3 . 1 1 26 26 TYR C C 26 176.520 176.520 176.904 -0.384 19287 716 1 3 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.849 0.321 19287 717 1 3 . 1 1 26 26 TYR CB C 26 36.880 36.880 38.095 -1.215 19287 718 1 3 . 1 1 26 26 TYR H H 26 7.810 7.810 7.732 0.078 19287 719 1 3 . 1 1 27 27 SER N N 27 109.600 109.600 111.560 -1.960 19287 720 1 3 . 1 1 27 27 SER HA H 27 4.330 4.330 4.594 -0.264 19287 721 1 3 . 1 1 27 27 SER C C 27 174.830 174.830 174.030 0.800 19287 722 1 3 . 1 1 27 27 SER CA C 27 57.490 57.490 57.528 -0.038 19287 723 1 3 . 1 1 27 27 SER CB C 27 64.640 64.640 63.980 0.660 19287 724 1 3 . 1 1 27 27 SER H H 27 7.350 7.350 7.631 -0.281 19287 725 1 3 . 1 1 28 28 ASN N N 28 119.830 119.830 119.869 -0.039 19287 726 1 3 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.433 -0.373 19287 727 1 3 . 1 1 28 28 ASN C C 28 173.040 173.040 174.455 -1.415 19287 728 1 3 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.618 -0.788 19287 729 1 3 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.092 -0.692 19287 730 1 3 . 1 1 28 28 ASN H H 28 7.930 7.930 7.940 -0.010 19287 731 1 3 . 1 1 29 29 THR N N 29 103.070 103.070 111.516 -8.446 19287 732 1 3 . 1 1 29 29 THR HA H 29 4.441 4.441 4.793 -0.352 19287 733 1 3 . 1 1 29 29 THR C C 29 172.980 172.980 172.210 0.770 19287 734 1 3 . 1 1 29 29 THR CA C 29 58.920 58.920 61.673 -2.753 19287 735 1 3 . 1 1 29 29 THR CB C 29 73.260 73.260 71.713 1.547 19287 736 1 3 . 1 1 29 29 THR H H 29 6.990 6.990 7.641 -0.651 19287 737 1 3 . 1 1 30 30 CYS N N 30 118.340 118.340 119.652 -1.312 19287 738 1 3 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.700 -0.238 19287 739 1 3 . 1 1 30 30 CYS C C 30 173.320 173.320 173.606 -0.286 19287 740 1 3 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.094 0.656 19287 741 1 3 . 1 1 30 30 CYS CB C 30 50.680 50.680 32.110 18.570 19287 742 1 3 . 1 1 30 30 CYS H H 30 8.954 8.954 8.699 0.255 19287 743 1 3 . 1 1 31 31 HIS N N 31 118.930 118.930 119.939 -1.009 19287 744 1 3 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.103 -0.323 19287 745 1 3 . 1 1 31 31 HIS C C 31 172.790 172.790 173.998 -1.208 19287 746 1 3 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.592 -2.062 19287 747 1 3 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.154 -0.114 19287 748 1 3 . 1 1 31 31 HIS H H 31 9.010 9.010 9.460 -0.450 19287 749 1 3 . 1 1 32 32 SER N N 32 117.600 117.600 120.888 -3.288 19287 750 1 3 . 1 1 32 32 SER HA H 32 4.700 4.700 4.373 0.327 19287 751 1 3 . 1 1 32 32 SER C C 32 174.930 174.930 173.779 1.151 19287 752 1 3 . 1 1 32 32 SER CA C 32 57.980 57.980 58.906 -0.926 19287 753 1 3 . 1 1 32 32 SER CB C 32 64.440 64.440 63.326 1.114 19287 754 1 3 . 1 1 32 32 SER H H 32 8.740 8.740 8.327 0.413 19287 755 1 3 . 1 1 33 33 PHE N N 33 120.690 120.690 120.771 -0.081 19287 756 1 3 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.015 -0.225 19287 757 1 3 . 1 1 33 33 PHE C C 33 171.810 171.810 173.492 -1.682 19287 758 1 3 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.598 0.602 19287 759 1 3 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.057 -0.827 19287 760 1 3 . 1 1 33 33 PHE H H 33 8.830 8.830 8.818 0.012 19287 761 1 3 . 1 1 34 34 THR N N 34 116.650 116.650 111.954 4.696 19287 762 1 3 . 1 1 34 34 THR HA H 34 3.965 3.965 4.444 -0.479 19287 763 1 3 . 1 1 34 34 THR C C 34 172.600 172.600 172.405 0.195 19287 764 1 3 . 1 1 34 34 THR CA C 34 61.980 61.980 60.756 1.224 19287 765 1 3 . 1 1 34 34 THR CB C 34 68.530 68.530 69.363 -0.833 19287 766 1 3 . 1 1 34 34 THR H H 34 8.400 8.400 8.221 0.179 19287 767 1 3 . 1 1 35 35 TYR N N 35 127.790 127.790 125.873 1.917 19287 768 1 3 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.630 -0.130 19287 769 1 3 . 1 1 35 35 TYR C C 35 174.200 174.200 173.355 0.845 19287 770 1 3 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.975 -1.845 19287 771 1 3 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.930 -2.280 19287 772 1 3 . 1 1 35 35 TYR H H 35 8.010 8.010 8.243 -0.233 19287 773 1 3 . 1 1 39 39 GLY N N 39 103.730 103.730 109.462 -5.732 19287 774 1 3 . 1 1 39 39 GLY C C 39 175.700 175.700 174.761 0.939 19287 775 1 3 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.793 -0.423 19287 776 1 3 . 1 1 39 39 GLY H H 39 8.500 8.500 8.649 -0.149 19287 777 1 3 . 1 1 40 40 GLY N N 40 110.170 110.170 108.930 1.240 19287 778 1 3 . 1 1 40 40 GLY C C 40 173.140 173.140 172.764 0.376 19287 779 1 3 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.869 -0.549 19287 780 1 3 . 1 1 40 40 GLY H H 40 8.670 8.670 7.840 0.830 19287 781 1 3 . 1 1 41 41 ASN N N 41 116.960 116.960 117.310 -0.350 19287 782 1 3 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.940 -0.380 19287 783 1 3 . 1 1 41 41 ASN C C 41 173.670 173.670 175.150 -1.480 19287 784 1 3 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.294 -0.444 19287 785 1 3 . 1 1 41 41 ASN CB C 41 40.230 40.230 39.934 0.295 19287 786 1 3 . 1 1 41 41 ASN H H 41 8.790 8.790 8.397 0.393 19287 787 1 3 . 1 1 42 42 ALA N N 42 113.290 113.290 122.065 -8.775 19287 788 1 3 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.158 -0.438 19287 789 1 3 . 1 1 42 42 ALA C C 42 177.220 177.220 178.217 -0.997 19287 790 1 3 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.581 -1.772 19287 791 1 3 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.774 -0.794 19287 792 1 3 . 1 1 42 42 ALA H H 42 7.590 7.590 8.625 -1.035 19287 793 1 3 . 1 1 43 43 ASN N N 43 117.710 117.710 115.348 2.362 19287 794 1 3 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.623 0.077 19287 795 1 3 . 1 1 43 43 ASN C C 43 173.660 173.660 174.054 -0.394 19287 796 1 3 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.811 -3.181 19287 797 1 3 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.322 -3.482 19287 798 1 3 . 1 1 43 43 ASN H H 43 7.900 7.900 8.058 -0.158 19287 799 1 3 . 1 1 44 44 ARG N N 44 120.690 120.690 119.380 1.310 19287 800 1 3 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.100 0.592 19287 801 1 3 . 1 1 44 44 ARG C C 44 173.530 173.530 174.520 -0.990 19287 802 1 3 . 1 1 44 44 ARG CA C 44 56.660 56.660 55.828 0.832 19287 803 1 3 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.793 1.657 19287 804 1 3 . 1 1 44 44 ARG H H 44 6.860 6.860 6.995 -0.135 19287 805 1 3 . 1 1 45 45 PHE N N 45 123.690 123.690 122.371 1.319 19287 806 1 3 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.953 -0.143 19287 807 1 3 . 1 1 45 45 PHE C C 45 175.420 175.420 175.159 0.261 19287 808 1 3 . 1 1 45 45 PHE CA C 45 55.670 55.670 55.765 -0.095 19287 809 1 3 . 1 1 45 45 PHE CB C 45 43.790 43.790 41.631 2.159 19287 810 1 3 . 1 1 45 45 PHE H H 45 9.340 9.340 8.113 1.227 19287 811 1 3 . 1 1 46 46 ARG N N 46 120.920 120.920 118.498 2.422 19287 812 1 3 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.663 -0.266 19287 813 1 3 . 1 1 46 46 ARG C C 46 176.560 176.560 175.751 0.809 19287 814 1 3 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.072 2.138 19287 815 1 3 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.709 0.191 19287 816 1 3 . 1 1 46 46 ARG H H 46 9.080 9.080 8.826 0.254 19287 817 1 3 . 1 1 47 47 THR N N 47 102.800 102.800 112.333 -9.533 19287 818 1 3 . 1 1 47 47 THR HA H 47 4.660 4.660 4.088 0.572 19287 819 1 3 . 1 1 47 47 THR C C 47 174.110 174.110 173.142 0.968 19287 820 1 3 . 1 1 47 47 THR CA C 47 58.170 58.170 60.317 -2.147 19287 821 1 3 . 1 1 47 47 THR CB C 47 72.380 72.380 70.402 1.978 19287 822 1 3 . 1 1 47 47 THR H H 47 7.230 7.230 7.282 -0.052 19287 823 1 3 . 1 1 48 48 ILE N N 48 123.200 123.200 124.923 -1.723 19287 824 1 3 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.889 -0.988 19287 825 1 3 . 1 1 48 48 ILE C C 48 176.420 176.420 175.747 0.673 19287 826 1 3 . 1 1 48 48 ILE CA C 48 64.000 64.000 62.685 1.315 19287 827 1 3 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.371 -1.311 19287 828 1 3 . 1 1 48 48 ILE H H 48 8.110 8.110 7.976 0.134 19287 829 1 3 . 1 1 49 49 ASP N N 49 119.560 119.560 120.152 -0.592 19287 830 1 3 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.242 -0.112 19287 831 1 3 . 1 1 49 49 ASP C C 49 177.740 177.740 178.392 -0.652 19287 832 1 3 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.633 -0.943 19287 833 1 3 . 1 1 49 49 ASP CB C 49 39.970 39.970 39.763 0.207 19287 834 1 3 . 1 1 49 49 ASP H H 49 7.700 7.700 7.681 0.019 19287 835 1 3 . 1 1 50 50 GLU N N 50 117.720 117.720 119.176 -1.456 19287 836 1 3 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.210 -0.500 19287 837 1 3 . 1 1 50 50 GLU C C 50 177.550 177.550 178.721 -1.171 19287 838 1 3 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.448 0.102 19287 839 1 3 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.372 -0.182 19287 840 1 3 . 1 1 50 50 GLU H H 50 7.410 7.410 7.813 -0.403 19287 841 1 3 . 1 1 51 51 CYS N N 51 120.260 120.260 117.252 3.008 19287 842 1 3 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.726 -2.076 19287 843 1 3 . 1 1 51 51 CYS C C 51 175.070 175.070 176.659 -1.589 19287 844 1 3 . 1 1 51 51 CYS CA C 51 59.120 59.120 60.432 -1.312 19287 845 1 3 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.252 16.748 19287 846 1 3 . 1 1 51 51 CYS H H 51 6.760 6.760 7.752 -0.992 19287 847 1 3 . 1 1 52 52 ASN N N 52 120.160 120.160 121.267 -1.107 19287 848 1 3 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.396 -0.306 19287 849 1 3 . 1 1 52 52 ASN C C 52 177.820 177.820 177.527 0.293 19287 850 1 3 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.832 -0.772 19287 851 1 3 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.246 -0.746 19287 852 1 3 . 1 1 52 52 ASN H H 52 8.650 8.650 8.491 0.159 19287 853 1 3 . 1 1 53 53 ARG N N 53 117.000 117.000 118.867 -1.867 19287 854 1 3 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.032 -0.262 19287 855 1 3 . 1 1 53 53 ARG C C 53 177.360 177.360 178.143 -0.783 19287 856 1 3 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.845 -0.355 19287 857 1 3 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.400 0.780 19287 858 1 3 . 1 1 53 53 ARG H H 53 7.900 7.900 7.812 0.088 19287 859 1 3 . 1 1 54 54 THR N N 54 112.080 112.080 111.833 0.247 19287 860 1 3 . 1 1 54 54 THR HA H 54 3.838 3.838 4.345 -0.507 19287 861 1 3 . 1 1 54 54 THR C C 54 174.990 174.990 174.538 0.452 19287 862 1 3 . 1 1 54 54 THR CA C 54 65.740 65.740 65.038 0.702 19287 863 1 3 . 1 1 54 54 THR CB C 54 68.870 68.870 70.018 -1.148 19287 864 1 3 . 1 1 54 54 THR H H 54 7.260 7.260 7.852 -0.592 19287 865 1 3 . 1 1 55 55 CYS N N 55 112.540 112.540 117.043 -4.503 19287 866 1 3 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.392 0.008 19287 867 1 3 . 1 1 55 55 CYS C C 55 172.940 172.940 173.796 -0.856 19287 868 1 3 . 1 1 55 55 CYS CA C 55 54.230 54.230 57.923 -3.693 19287 869 1 3 . 1 1 55 55 CYS CB C 55 42.930 42.930 28.859 14.071 19287 870 1 3 . 1 1 55 55 CYS H H 55 7.590 7.590 7.594 -0.004 19287 871 1 3 . 1 1 56 56 VAL N N 56 119.720 119.720 123.013 -3.293 19287 872 1 3 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.128 -0.497 19287 873 1 3 . 1 1 56 56 VAL C C 56 176.710 176.710 175.849 0.861 19287 874 1 3 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.931 1.609 19287 875 1 3 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.618 0.352 19287 876 1 3 . 1 1 56 56 VAL H H 56 7.280 7.280 7.984 -0.704 19287 877 1 4 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.489 -0.472 19287 878 1 4 . 1 1 2 2 PRO C C 2 177.920 177.920 177.990 -0.070 19287 879 1 4 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.472 0.328 19287 880 1 4 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.859 -0.809 19287 881 1 4 . 1 1 3 3 ARG N N 3 122.340 122.340 122.218 0.122 19287 882 1 4 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.233 -0.447 19287 883 1 4 . 1 1 3 3 ARG C C 3 178.950 178.950 175.353 3.597 19287 884 1 4 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.729 0.681 19287 885 1 4 . 1 1 3 3 ARG CB C 3 29.220 29.220 28.608 0.612 19287 886 1 4 . 1 1 3 3 ARG H H 3 8.550 8.550 8.736 -0.186 19287 887 1 4 . 1 1 4 4 PHE N N 4 113.010 113.010 113.389 -0.379 19287 888 1 4 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.683 -0.383 19287 889 1 4 . 1 1 4 4 PHE C C 4 176.070 176.070 176.030 0.040 19287 890 1 4 . 1 1 4 4 PHE CA C 4 58.220 58.220 57.017 1.203 19287 891 1 4 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.541 -1.232 19287 892 1 4 . 1 1 4 4 PHE H H 4 7.150 7.150 7.362 -0.212 19287 893 1 4 . 1 1 5 5 CYS N N 5 118.600 118.600 119.102 -0.502 19287 894 1 4 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.061 0.069 19287 895 1 4 . 1 1 5 5 CYS C C 5 173.450 173.450 174.910 -1.460 19287 896 1 4 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.289 -2.329 19287 897 1 4 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.031 13.179 19287 898 1 4 . 1 1 5 5 CYS H H 5 7.090 7.090 7.341 -0.251 19287 899 1 4 . 1 1 6 6 GLU N N 6 110.710 110.710 117.577 -6.867 19287 900 1 4 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.383 -0.201 19287 901 1 4 . 1 1 6 6 GLU C C 6 176.310 176.310 176.186 0.124 19287 902 1 4 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.221 0.288 19287 903 1 4 . 1 1 6 6 GLU CB C 6 28.160 28.160 28.977 -0.817 19287 904 1 4 . 1 1 6 6 GLU H H 6 7.300 7.300 8.081 -0.781 19287 905 1 4 . 1 1 7 7 LEU N N 7 119.090 119.090 120.756 -1.666 19287 906 1 4 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.423 -0.263 19287 907 1 4 . 1 1 7 7 LEU C C 7 176.630 176.630 175.795 0.835 19287 908 1 4 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.126 0.384 19287 909 1 4 . 1 1 7 7 LEU CB C 7 42.330 42.330 43.122 -0.792 19287 910 1 4 . 1 1 7 7 LEU H H 7 7.210 7.210 7.115 0.095 19287 911 1 4 . 1 1 8 8 ALA N N 8 124.490 124.490 121.635 2.855 19287 912 1 4 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.758 -0.508 19287 913 1 4 . 1 1 8 8 ALA C C 8 174.710 174.710 175.119 -0.409 19287 914 1 4 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.573 1.637 19287 915 1 4 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.537 -2.607 19287 916 1 4 . 1 1 8 8 ALA H H 8 8.280 8.280 8.336 -0.056 19287 917 1 4 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.609 -0.429 19287 918 1 4 . 1 1 9 9 PRO C C 9 176.700 176.700 176.835 -0.135 19287 919 1 4 . 1 1 9 9 PRO CA C 9 61.490 61.490 63.174 -1.684 19287 920 1 4 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.834 -1.474 19287 921 1 4 . 1 1 10 10 SER N N 10 112.100 112.100 121.516 -9.416 19287 922 1 4 . 1 1 10 10 SER HA H 10 4.630 4.630 4.413 0.217 19287 923 1 4 . 1 1 10 10 SER C C 10 174.190 174.190 174.945 -0.755 19287 924 1 4 . 1 1 10 10 SER CA C 10 55.360 55.360 56.340 -0.980 19287 925 1 4 . 1 1 10 10 SER CB C 10 64.550 64.550 62.028 2.522 19287 926 1 4 . 1 1 10 10 SER H H 10 7.450 7.450 8.644 -1.194 19287 927 1 4 . 1 1 11 11 ALA N N 11 129.980 129.980 124.505 5.475 19287 928 1 4 . 1 1 11 11 ALA HA H 11 4.496 4.496 3.975 0.521 19287 929 1 4 . 1 1 11 11 ALA C C 11 178.510 178.510 178.144 0.366 19287 930 1 4 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.686 1.124 19287 931 1 4 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.945 0.965 19287 932 1 4 . 1 1 11 11 ALA H H 11 9.210 9.210 8.111 1.099 19287 933 1 4 . 1 1 12 12 GLY N N 12 104.410 104.410 104.032 0.378 19287 934 1 4 . 1 1 12 12 GLY C C 12 174.850 174.850 175.691 -0.841 19287 935 1 4 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.259 -0.809 19287 936 1 4 . 1 1 12 12 GLY H H 12 8.190 8.190 8.364 -0.174 19287 937 1 4 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.626 -0.376 19287 938 1 4 . 1 1 14 14 CYS C C 14 172.410 172.410 173.506 -1.096 19287 939 1 4 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.282 1.468 19287 940 1 4 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.697 8.433 19287 941 1 4 . 1 1 15 15 PHE N N 15 116.000 116.000 123.372 -7.372 19287 942 1 4 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.785 -0.405 19287 943 1 4 . 1 1 15 15 PHE C C 15 174.300 174.300 174.074 0.226 19287 944 1 4 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.290 -0.460 19287 945 1 4 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.910 -0.470 19287 946 1 4 . 1 1 15 15 PHE H H 15 7.960 7.960 8.614 -0.654 19287 947 1 4 . 1 1 16 16 ALA N N 16 125.630 125.630 130.408 -4.778 19287 948 1 4 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.216 0.104 19287 949 1 4 . 1 1 16 16 ALA C C 16 174.300 174.300 175.429 -1.129 19287 950 1 4 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.403 -1.273 19287 951 1 4 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.480 -2.300 19287 952 1 4 . 1 1 16 16 ALA H H 16 7.800 7.800 8.014 -0.214 19287 953 1 4 . 1 1 17 17 PHE N N 17 116.330 116.330 121.880 -5.550 19287 954 1 4 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.765 -0.375 19287 955 1 4 . 1 1 17 17 PHE C C 17 175.310 175.310 174.240 1.070 19287 956 1 4 . 1 1 17 17 PHE CA C 17 57.160 57.160 56.297 0.863 19287 957 1 4 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.119 -1.739 19287 958 1 4 . 1 1 17 17 PHE H H 17 7.330 7.330 8.324 -0.994 19287 959 1 4 . 1 1 18 18 VAL N N 18 122.890 122.890 124.644 -1.754 19287 960 1 4 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.409 0.066 19287 961 1 4 . 1 1 18 18 VAL C C 18 173.590 173.590 173.154 0.436 19287 962 1 4 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.263 0.638 19287 963 1 4 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.410 0.490 19287 964 1 4 . 1 1 18 18 VAL H H 18 8.680 8.680 7.989 0.691 19287 965 1 4 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.495 -0.220 19287 966 1 4 . 1 1 19 19 PRO C C 19 176.940 176.940 176.456 0.484 19287 967 1 4 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.210 1.850 19287 968 1 4 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.710 -0.000 19287 969 1 4 . 1 1 20 20 SER N N 20 120.230 120.230 118.081 2.149 19287 970 1 4 . 1 1 20 20 SER HA H 20 4.780 4.780 4.713 0.067 19287 971 1 4 . 1 1 20 20 SER C C 20 170.900 170.900 172.891 -1.991 19287 972 1 4 . 1 1 20 20 SER CA C 20 57.450 57.450 56.990 0.460 19287 973 1 4 . 1 1 20 20 SER CB C 20 67.910 67.910 66.770 1.140 19287 974 1 4 . 1 1 20 20 SER H H 20 8.390 8.390 8.073 0.317 19287 975 1 4 . 1 1 21 21 TYR N N 21 118.220 118.220 118.801 -0.581 19287 976 1 4 . 1 1 21 21 TYR HA H 21 5.600 5.600 4.846 0.754 19287 977 1 4 . 1 1 21 21 TYR C C 21 173.770 173.770 175.057 -1.287 19287 978 1 4 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.872 -0.132 19287 979 1 4 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.803 0.857 19287 980 1 4 . 1 1 21 21 TYR H H 21 9.020 9.020 8.773 0.247 19287 981 1 4 . 1 1 22 22 TYR N N 22 119.260 119.260 125.462 -6.202 19287 982 1 4 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.897 0.213 19287 983 1 4 . 1 1 22 22 TYR C C 22 172.610 172.610 174.029 -1.419 19287 984 1 4 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.842 -1.462 19287 985 1 4 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.974 -0.424 19287 986 1 4 . 1 1 22 22 TYR H H 22 9.410 9.410 9.583 -0.173 19287 987 1 4 . 1 1 23 23 TYR N N 23 123.200 123.200 129.015 -5.815 19287 988 1 4 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.831 -0.449 19287 989 1 4 . 1 1 23 23 TYR C C 23 173.250 173.250 174.326 -1.076 19287 990 1 4 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.335 1.025 19287 991 1 4 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.816 -0.246 19287 992 1 4 . 1 1 23 23 TYR H H 23 10.190 10.190 8.807 1.383 19287 993 1 4 . 1 1 24 24 ASN N N 24 126.280 126.280 127.378 -1.098 19287 994 1 4 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.865 -0.315 19287 995 1 4 . 1 1 24 24 ASN C C 24 174.000 174.000 175.287 -1.287 19287 996 1 4 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.944 -0.584 19287 997 1 4 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.035 1.005 19287 998 1 4 . 1 1 24 24 ASN H H 24 7.890 7.890 8.765 -0.875 19287 999 1 4 . 1 1 25 25 GLN N N 25 122.760 122.760 123.576 -0.816 19287 1000 1 4 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.617 0.074 19287 1001 1 4 . 1 1 25 25 GLN C C 25 175.670 175.670 176.848 -1.178 19287 1002 1 4 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.170 -0.690 19287 1003 1 4 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.260 0.860 19287 1004 1 4 . 1 1 25 25 GLN H H 25 8.440 8.440 8.047 0.393 19287 1005 1 4 . 1 1 26 26 TYR N N 26 119.190 119.190 120.031 -0.841 19287 1006 1 4 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.255 -0.095 19287 1007 1 4 . 1 1 26 26 TYR C C 26 176.520 176.520 177.085 -0.565 19287 1008 1 4 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.931 0.239 19287 1009 1 4 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.866 -0.986 19287 1010 1 4 . 1 1 26 26 TYR H H 26 7.810 7.810 7.512 0.298 19287 1011 1 4 . 1 1 27 27 SER N N 27 109.600 109.600 111.309 -1.709 19287 1012 1 4 . 1 1 27 27 SER HA H 27 4.330 4.330 4.590 -0.260 19287 1013 1 4 . 1 1 27 27 SER C C 27 174.830 174.830 174.063 0.767 19287 1014 1 4 . 1 1 27 27 SER CA C 27 57.490 57.490 57.527 -0.037 19287 1015 1 4 . 1 1 27 27 SER CB C 27 64.640 64.640 63.996 0.644 19287 1016 1 4 . 1 1 27 27 SER H H 27 7.350 7.350 7.685 -0.335 19287 1017 1 4 . 1 1 28 28 ASN N N 28 119.830 119.830 119.019 0.811 19287 1018 1 4 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.404 -0.344 19287 1019 1 4 . 1 1 28 28 ASN C C 28 173.040 173.040 174.472 -1.432 19287 1020 1 4 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.676 -0.846 19287 1021 1 4 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.268 -0.868 19287 1022 1 4 . 1 1 28 28 ASN H H 28 7.930 7.930 7.981 -0.051 19287 1023 1 4 . 1 1 29 29 THR N N 29 103.070 103.070 110.889 -7.819 19287 1024 1 4 . 1 1 29 29 THR HA H 29 4.441 4.441 4.706 -0.265 19287 1025 1 4 . 1 1 29 29 THR C C 29 172.980 172.980 172.077 0.903 19287 1026 1 4 . 1 1 29 29 THR CA C 29 58.920 58.920 61.271 -2.351 19287 1027 1 4 . 1 1 29 29 THR CB C 29 73.260 73.260 70.749 2.511 19287 1028 1 4 . 1 1 29 29 THR H H 29 6.990 6.990 7.577 -0.587 19287 1029 1 4 . 1 1 30 30 CYS N N 30 118.340 118.340 119.505 -1.165 19287 1030 1 4 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.636 -0.174 19287 1031 1 4 . 1 1 30 30 CYS C C 30 173.320 173.320 173.433 -0.113 19287 1032 1 4 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.374 0.376 19287 1033 1 4 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.660 19.020 19287 1034 1 4 . 1 1 30 30 CYS H H 30 8.954 8.954 8.668 0.286 19287 1035 1 4 . 1 1 31 31 HIS N N 31 118.930 118.930 120.665 -1.735 19287 1036 1 4 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.103 -0.323 19287 1037 1 4 . 1 1 31 31 HIS C C 31 172.790 172.790 173.927 -1.137 19287 1038 1 4 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.383 -1.853 19287 1039 1 4 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.329 -0.289 19287 1040 1 4 . 1 1 31 31 HIS H H 31 9.010 9.010 9.599 -0.589 19287 1041 1 4 . 1 1 32 32 SER N N 32 117.600 117.600 120.712 -3.112 19287 1042 1 4 . 1 1 32 32 SER HA H 32 4.700 4.700 4.202 0.498 19287 1043 1 4 . 1 1 32 32 SER C C 32 174.930 174.930 173.631 1.299 19287 1044 1 4 . 1 1 32 32 SER CA C 32 57.980 57.980 58.644 -0.664 19287 1045 1 4 . 1 1 32 32 SER CB C 32 64.440 64.440 63.282 1.158 19287 1046 1 4 . 1 1 32 32 SER H H 32 8.740 8.740 8.267 0.473 19287 1047 1 4 . 1 1 33 33 PHE N N 33 120.690 120.690 119.609 1.081 19287 1048 1 4 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.955 -0.166 19287 1049 1 4 . 1 1 33 33 PHE C C 33 171.810 171.810 173.580 -1.770 19287 1050 1 4 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.808 0.392 19287 1051 1 4 . 1 1 33 33 PHE CB C 33 40.230 40.230 40.931 -0.701 19287 1052 1 4 . 1 1 33 33 PHE H H 33 8.830 8.830 8.945 -0.115 19287 1053 1 4 . 1 1 34 34 THR N N 34 116.650 116.650 112.088 4.562 19287 1054 1 4 . 1 1 34 34 THR HA H 34 3.965 3.965 4.154 -0.189 19287 1055 1 4 . 1 1 34 34 THR C C 34 172.600 172.600 172.717 -0.117 19287 1056 1 4 . 1 1 34 34 THR CA C 34 61.980 61.980 61.382 0.598 19287 1057 1 4 . 1 1 34 34 THR CB C 34 68.530 68.530 69.582 -1.052 19287 1058 1 4 . 1 1 34 34 THR H H 34 8.400 8.400 8.281 0.119 19287 1059 1 4 . 1 1 35 35 TYR N N 35 127.790 127.790 125.303 2.487 19287 1060 1 4 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.761 -0.261 19287 1061 1 4 . 1 1 35 35 TYR C C 35 174.200 174.200 173.703 0.497 19287 1062 1 4 . 1 1 35 35 TYR CA C 35 55.130 55.130 57.073 -1.943 19287 1063 1 4 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.012 -2.362 19287 1064 1 4 . 1 1 35 35 TYR H H 35 8.010 8.010 8.199 -0.189 19287 1065 1 4 . 1 1 39 39 GLY N N 39 103.730 103.730 111.248 -7.518 19287 1066 1 4 . 1 1 39 39 GLY C C 39 175.700 175.700 173.932 1.768 19287 1067 1 4 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.755 0.615 19287 1068 1 4 . 1 1 39 39 GLY H H 39 8.500 8.500 8.388 0.112 19287 1069 1 4 . 1 1 40 40 GLY N N 40 110.170 110.170 112.753 -2.583 19287 1070 1 4 . 1 1 40 40 GLY C C 40 173.140 173.140 173.006 0.134 19287 1071 1 4 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.778 -0.458 19287 1072 1 4 . 1 1 40 40 GLY H H 40 8.670 8.670 8.303 0.367 19287 1073 1 4 . 1 1 41 41 ASN N N 41 116.960 116.960 117.468 -0.508 19287 1074 1 4 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.968 -0.408 19287 1075 1 4 . 1 1 41 41 ASN C C 41 173.670 173.670 175.730 -2.060 19287 1076 1 4 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.040 -0.190 19287 1077 1 4 . 1 1 41 41 ASN CB C 41 40.230 40.230 42.022 -1.792 19287 1078 1 4 . 1 1 41 41 ASN H H 41 8.790 8.790 8.785 0.005 19287 1079 1 4 . 1 1 42 42 ALA N N 42 113.290 113.290 123.163 -9.873 19287 1080 1 4 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.133 -0.413 19287 1081 1 4 . 1 1 42 42 ALA C C 42 177.220 177.220 178.004 -0.784 19287 1082 1 4 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.699 -1.889 19287 1083 1 4 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.595 -0.615 19287 1084 1 4 . 1 1 42 42 ALA H H 42 7.590 7.590 8.772 -1.182 19287 1085 1 4 . 1 1 43 43 ASN N N 43 117.710 117.710 114.722 2.988 19287 1086 1 4 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.637 0.063 19287 1087 1 4 . 1 1 43 43 ASN C C 43 173.660 173.660 175.318 -1.658 19287 1088 1 4 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.042 -3.412 19287 1089 1 4 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.790 -2.950 19287 1090 1 4 . 1 1 43 43 ASN H H 43 7.900 7.900 8.172 -0.273 19287 1091 1 4 . 1 1 44 44 ARG N N 44 120.690 120.690 121.030 -0.340 19287 1092 1 4 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.182 0.510 19287 1093 1 4 . 1 1 44 44 ARG C C 44 173.530 173.530 174.575 -1.045 19287 1094 1 4 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.992 -0.333 19287 1095 1 4 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.347 1.103 19287 1096 1 4 . 1 1 44 44 ARG H H 44 6.860 6.860 7.369 -0.509 19287 1097 1 4 . 1 1 45 45 PHE N N 45 123.690 123.690 122.143 1.547 19287 1098 1 4 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.866 -0.056 19287 1099 1 4 . 1 1 45 45 PHE C C 45 175.420 175.420 175.446 -0.026 19287 1100 1 4 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.828 -1.158 19287 1101 1 4 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.342 0.448 19287 1102 1 4 . 1 1 45 45 PHE H H 45 9.340 9.340 8.139 1.201 19287 1103 1 4 . 1 1 46 46 ARG N N 46 120.920 120.920 118.546 2.374 19287 1104 1 4 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.509 -0.112 19287 1105 1 4 . 1 1 46 46 ARG C C 46 176.560 176.560 175.742 0.818 19287 1106 1 4 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.581 2.629 19287 1107 1 4 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.791 0.109 19287 1108 1 4 . 1 1 46 46 ARG H H 46 9.080 9.080 8.672 0.408 19287 1109 1 4 . 1 1 47 47 THR N N 47 102.800 102.800 111.673 -8.873 19287 1110 1 4 . 1 1 47 47 THR HA H 47 4.660 4.660 3.691 0.969 19287 1111 1 4 . 1 1 47 47 THR C C 47 174.110 174.110 173.175 0.935 19287 1112 1 4 . 1 1 47 47 THR CA C 47 58.170 58.170 59.167 -0.997 19287 1113 1 4 . 1 1 47 47 THR CB C 47 72.380 72.380 71.129 1.251 19287 1114 1 4 . 1 1 47 47 THR H H 47 7.230 7.230 7.251 -0.021 19287 1115 1 4 . 1 1 48 48 ILE N N 48 123.200 123.200 122.829 0.371 19287 1116 1 4 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.594 -0.693 19287 1117 1 4 . 1 1 48 48 ILE C C 48 176.420 176.420 175.915 0.505 19287 1118 1 4 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.481 0.519 19287 1119 1 4 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.159 -1.099 19287 1120 1 4 . 1 1 48 48 ILE H H 48 8.110 8.110 7.915 0.195 19287 1121 1 4 . 1 1 49 49 ASP N N 49 119.560 119.560 119.806 -0.246 19287 1122 1 4 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.250 -0.120 19287 1123 1 4 . 1 1 49 49 ASP C C 49 177.740 177.740 178.347 -0.607 19287 1124 1 4 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.638 -0.948 19287 1125 1 4 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.522 -0.552 19287 1126 1 4 . 1 1 49 49 ASP H H 49 7.700 7.700 7.645 0.055 19287 1127 1 4 . 1 1 50 50 GLU N N 50 117.720 117.720 119.481 -1.761 19287 1128 1 4 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.200 -0.490 19287 1129 1 4 . 1 1 50 50 GLU C C 50 177.550 177.550 177.989 -0.439 19287 1130 1 4 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.545 0.005 19287 1131 1 4 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.630 -0.440 19287 1132 1 4 . 1 1 50 50 GLU H H 50 7.410 7.410 7.596 -0.186 19287 1133 1 4 . 1 1 51 51 CYS N N 51 120.260 120.260 119.380 0.880 19287 1134 1 4 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.855 -1.205 19287 1135 1 4 . 1 1 51 51 CYS C C 51 175.070 175.070 176.300 -1.230 19287 1136 1 4 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.070 -1.950 19287 1137 1 4 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.768 17.232 19287 1138 1 4 . 1 1 51 51 CYS H H 51 6.760 6.760 7.673 -0.913 19287 1139 1 4 . 1 1 52 52 ASN N N 52 120.160 120.160 119.657 0.503 19287 1140 1 4 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.367 -0.277 19287 1141 1 4 . 1 1 52 52 ASN C C 52 177.820 177.820 177.650 0.170 19287 1142 1 4 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.903 -0.842 19287 1143 1 4 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.921 -0.421 19287 1144 1 4 . 1 1 52 52 ASN H H 52 8.650 8.650 8.511 0.139 19287 1145 1 4 . 1 1 53 53 ARG N N 53 117.000 117.000 118.256 -1.256 19287 1146 1 4 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.020 -0.250 19287 1147 1 4 . 1 1 53 53 ARG C C 53 177.360 177.360 177.633 -0.273 19287 1148 1 4 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.663 -0.173 19287 1149 1 4 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.347 0.833 19287 1150 1 4 . 1 1 53 53 ARG H H 53 7.900 7.900 7.525 0.375 19287 1151 1 4 . 1 1 54 54 THR N N 54 112.080 112.080 112.345 -0.265 19287 1152 1 4 . 1 1 54 54 THR HA H 54 3.838 3.838 4.482 -0.644 19287 1153 1 4 . 1 1 54 54 THR C C 54 174.990 174.990 174.589 0.401 19287 1154 1 4 . 1 1 54 54 THR CA C 54 65.740 65.740 63.446 2.294 19287 1155 1 4 . 1 1 54 54 THR CB C 54 68.870 68.870 70.185 -1.315 19287 1156 1 4 . 1 1 54 54 THR H H 54 7.260 7.260 7.957 -0.697 19287 1157 1 4 . 1 1 55 55 CYS N N 55 112.540 112.540 117.600 -5.060 19287 1158 1 4 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.417 -0.017 19287 1159 1 4 . 1 1 55 55 CYS C C 55 172.940 172.940 174.415 -1.475 19287 1160 1 4 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.766 -4.536 19287 1161 1 4 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.002 13.928 19287 1162 1 4 . 1 1 55 55 CYS H H 55 7.590 7.590 7.488 0.102 19287 1163 1 4 . 1 1 56 56 VAL N N 56 119.720 119.720 123.745 -4.025 19287 1164 1 4 . 1 1 56 56 VAL HA H 56 3.631 3.631 3.970 -0.339 19287 1165 1 4 . 1 1 56 56 VAL C C 56 176.710 176.710 176.105 0.605 19287 1166 1 4 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.785 0.755 19287 1167 1 4 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.541 0.429 19287 1168 1 4 . 1 1 56 56 VAL H H 56 7.280 7.280 7.604 -0.324 19287 1169 1 5 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.377 -0.360 19287 1170 1 5 . 1 1 2 2 PRO C C 2 177.920 177.920 177.558 0.362 19287 1171 1 5 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.124 0.676 19287 1172 1 5 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.384 -0.334 19287 1173 1 5 . 1 1 3 3 ARG N N 3 122.340 122.340 122.641 -0.301 19287 1174 1 5 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.154 -0.368 19287 1175 1 5 . 1 1 3 3 ARG C C 3 178.950 178.950 175.284 3.666 19287 1176 1 5 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.542 0.868 19287 1177 1 5 . 1 1 3 3 ARG CB C 3 29.220 29.220 28.524 0.696 19287 1178 1 5 . 1 1 3 3 ARG H H 3 8.550 8.550 8.625 -0.075 19287 1179 1 5 . 1 1 4 4 PHE N N 4 113.010 113.010 112.754 0.256 19287 1180 1 5 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.668 -0.368 19287 1181 1 5 . 1 1 4 4 PHE C C 4 176.070 176.070 176.623 -0.553 19287 1182 1 5 . 1 1 4 4 PHE CA C 4 58.220 58.220 56.682 1.538 19287 1183 1 5 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.194 -0.884 19287 1184 1 5 . 1 1 4 4 PHE H H 4 7.150 7.150 7.005 0.145 19287 1185 1 5 . 1 1 5 5 CYS N N 5 118.600 118.600 119.844 -1.244 19287 1186 1 5 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.229 -0.099 19287 1187 1 5 . 1 1 5 5 CYS C C 5 173.450 173.450 174.895 -1.445 19287 1188 1 5 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.455 -2.495 19287 1189 1 5 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.157 13.053 19287 1190 1 5 . 1 1 5 5 CYS H H 5 7.090 7.090 7.391 -0.301 19287 1191 1 5 . 1 1 6 6 GLU N N 6 110.710 110.710 117.664 -6.954 19287 1192 1 5 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.356 -0.174 19287 1193 1 5 . 1 1 6 6 GLU C C 6 176.310 176.310 176.332 -0.022 19287 1194 1 5 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.415 0.095 19287 1195 1 5 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.023 -0.864 19287 1196 1 5 . 1 1 6 6 GLU H H 6 7.300 7.300 8.008 -0.708 19287 1197 1 5 . 1 1 7 7 LEU N N 7 119.090 119.090 120.931 -1.841 19287 1198 1 5 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.311 -0.151 19287 1199 1 5 . 1 1 7 7 LEU C C 7 176.630 176.630 175.919 0.711 19287 1200 1 5 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.491 0.019 19287 1201 1 5 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.837 -0.507 19287 1202 1 5 . 1 1 7 7 LEU H H 7 7.210 7.210 7.097 0.113 19287 1203 1 5 . 1 1 8 8 ALA N N 8 124.490 124.490 121.746 2.744 19287 1204 1 5 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.756 -0.506 19287 1205 1 5 . 1 1 8 8 ALA C C 8 174.710 174.710 175.176 -0.466 19287 1206 1 5 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.594 1.616 19287 1207 1 5 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.538 -2.607 19287 1208 1 5 . 1 1 8 8 ALA H H 8 8.280 8.280 8.375 -0.095 19287 1209 1 5 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.675 -0.495 19287 1210 1 5 . 1 1 9 9 PRO C C 9 176.700 176.700 176.353 0.347 19287 1211 1 5 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.834 -1.344 19287 1212 1 5 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.327 -1.967 19287 1213 1 5 . 1 1 10 10 SER N N 10 112.100 112.100 121.818 -9.718 19287 1214 1 5 . 1 1 10 10 SER HA H 10 4.630 4.630 4.418 0.212 19287 1215 1 5 . 1 1 10 10 SER C C 10 174.190 174.190 174.978 -0.788 19287 1216 1 5 . 1 1 10 10 SER CA C 10 55.360 55.360 56.574 -1.214 19287 1217 1 5 . 1 1 10 10 SER CB C 10 64.550 64.550 62.306 2.244 19287 1218 1 5 . 1 1 10 10 SER H H 10 7.450 7.450 8.553 -1.103 19287 1219 1 5 . 1 1 11 11 ALA N N 11 129.980 129.980 128.153 1.827 19287 1220 1 5 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.347 0.149 19287 1221 1 5 . 1 1 11 11 ALA C C 11 178.510 178.510 178.852 -0.342 19287 1222 1 5 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.513 1.297 19287 1223 1 5 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.883 1.027 19287 1224 1 5 . 1 1 11 11 ALA H H 11 9.210 9.210 8.211 0.999 19287 1225 1 5 . 1 1 12 12 GLY N N 12 104.410 104.410 105.013 -0.603 19287 1226 1 5 . 1 1 12 12 GLY C C 12 174.850 174.850 175.807 -0.957 19287 1227 1 5 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.086 -0.636 19287 1228 1 5 . 1 1 12 12 GLY H H 12 8.190 8.190 8.213 -0.022 19287 1229 1 5 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.608 -0.358 19287 1230 1 5 . 1 1 14 14 CYS C C 14 172.410 172.410 173.783 -1.373 19287 1231 1 5 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.735 2.015 19287 1232 1 5 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.794 8.336 19287 1233 1 5 . 1 1 15 15 PHE N N 15 116.000 116.000 124.325 -8.325 19287 1234 1 5 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.675 -0.295 19287 1235 1 5 . 1 1 15 15 PHE C C 15 174.300 174.300 174.689 -0.389 19287 1236 1 5 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.931 -1.101 19287 1237 1 5 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.060 0.380 19287 1238 1 5 . 1 1 15 15 PHE H H 15 7.960 7.960 8.663 -0.703 19287 1239 1 5 . 1 1 16 16 ALA N N 16 125.630 125.630 131.040 -5.410 19287 1240 1 5 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.596 -0.276 19287 1241 1 5 . 1 1 16 16 ALA C C 16 174.300 174.300 175.333 -1.033 19287 1242 1 5 . 1 1 16 16 ALA CA C 16 50.130 50.130 52.077 -1.947 19287 1243 1 5 . 1 1 16 16 ALA CB C 16 19.180 19.180 22.159 -2.979 19287 1244 1 5 . 1 1 16 16 ALA H H 16 7.800 7.800 8.080 -0.280 19287 1245 1 5 . 1 1 17 17 PHE N N 17 116.330 116.330 123.122 -6.792 19287 1246 1 5 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.927 -0.537 19287 1247 1 5 . 1 1 17 17 PHE C C 17 175.310 175.310 173.659 1.651 19287 1248 1 5 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.013 2.147 19287 1249 1 5 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.077 -0.697 19287 1250 1 5 . 1 1 17 17 PHE H H 17 7.330 7.330 8.338 -1.008 19287 1251 1 5 . 1 1 18 18 VAL N N 18 122.890 122.890 125.037 -2.147 19287 1252 1 5 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.599 -0.124 19287 1253 1 5 . 1 1 18 18 VAL C C 18 173.590 173.590 173.554 0.036 19287 1254 1 5 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.364 0.536 19287 1255 1 5 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.724 -0.824 19287 1256 1 5 . 1 1 18 18 VAL H H 18 8.680 8.680 8.955 -0.275 19287 1257 1 5 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.850 -0.575 19287 1258 1 5 . 1 1 19 19 PRO C C 19 176.940 176.940 176.382 0.558 19287 1259 1 5 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.676 1.384 19287 1260 1 5 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.469 0.241 19287 1261 1 5 . 1 1 20 20 SER N N 20 120.230 120.230 118.199 2.031 19287 1262 1 5 . 1 1 20 20 SER HA H 20 4.780 4.780 4.727 0.053 19287 1263 1 5 . 1 1 20 20 SER C C 20 170.900 170.900 173.062 -2.162 19287 1264 1 5 . 1 1 20 20 SER CA C 20 57.450 57.450 56.032 1.418 19287 1265 1 5 . 1 1 20 20 SER CB C 20 67.910 67.910 66.038 1.872 19287 1266 1 5 . 1 1 20 20 SER H H 20 8.390 8.390 8.422 -0.032 19287 1267 1 5 . 1 1 21 21 TYR N N 21 118.220 118.220 119.395 -1.175 19287 1268 1 5 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.066 0.534 19287 1269 1 5 . 1 1 21 21 TYR C C 21 173.770 173.770 174.773 -1.003 19287 1270 1 5 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.844 -0.104 19287 1271 1 5 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.094 0.566 19287 1272 1 5 . 1 1 21 21 TYR H H 21 9.020 9.020 8.441 0.579 19287 1273 1 5 . 1 1 22 22 TYR N N 22 119.260 119.260 124.012 -4.752 19287 1274 1 5 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.629 0.481 19287 1275 1 5 . 1 1 22 22 TYR C C 22 172.610 172.610 173.581 -0.971 19287 1276 1 5 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.183 -0.803 19287 1277 1 5 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.399 -0.849 19287 1278 1 5 . 1 1 22 22 TYR H H 22 9.410 9.410 9.506 -0.096 19287 1279 1 5 . 1 1 23 23 TYR N N 23 123.200 123.200 128.840 -5.640 19287 1280 1 5 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.782 -0.400 19287 1281 1 5 . 1 1 23 23 TYR C C 23 173.250 173.250 174.634 -1.384 19287 1282 1 5 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.216 1.144 19287 1283 1 5 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.318 0.252 19287 1284 1 5 . 1 1 23 23 TYR H H 23 10.190 10.190 8.657 1.533 19287 1285 1 5 . 1 1 24 24 ASN N N 24 126.280 126.280 127.724 -1.444 19287 1286 1 5 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.793 -0.243 19287 1287 1 5 . 1 1 24 24 ASN C C 24 174.000 174.000 175.078 -1.078 19287 1288 1 5 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.624 -0.264 19287 1289 1 5 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.591 1.449 19287 1290 1 5 . 1 1 24 24 ASN H H 24 7.890 7.890 8.560 -0.670 19287 1291 1 5 . 1 1 25 25 GLN N N 25 122.760 122.760 122.903 -0.143 19287 1292 1 5 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.609 0.082 19287 1293 1 5 . 1 1 25 25 GLN C C 25 175.670 175.670 176.579 -0.909 19287 1294 1 5 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.075 -0.595 19287 1295 1 5 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.577 0.543 19287 1296 1 5 . 1 1 25 25 GLN H H 25 8.440 8.440 7.863 0.577 19287 1297 1 5 . 1 1 26 26 TYR N N 26 119.190 119.190 118.849 0.341 19287 1298 1 5 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.321 -0.161 19287 1299 1 5 . 1 1 26 26 TYR C C 26 176.520 176.520 176.625 -0.105 19287 1300 1 5 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.514 0.655 19287 1301 1 5 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.587 -0.707 19287 1302 1 5 . 1 1 26 26 TYR H H 26 7.810 7.810 7.595 0.215 19287 1303 1 5 . 1 1 27 27 SER N N 27 109.600 109.600 112.367 -2.767 19287 1304 1 5 . 1 1 27 27 SER HA H 27 4.330 4.330 4.558 -0.228 19287 1305 1 5 . 1 1 27 27 SER C C 27 174.830 174.830 174.128 0.702 19287 1306 1 5 . 1 1 27 27 SER CA C 27 57.490 57.490 57.301 0.189 19287 1307 1 5 . 1 1 27 27 SER CB C 27 64.640 64.640 64.177 0.463 19287 1308 1 5 . 1 1 27 27 SER H H 27 7.350 7.350 7.469 -0.119 19287 1309 1 5 . 1 1 28 28 ASN N N 28 119.830 119.830 119.433 0.397 19287 1310 1 5 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.351 -0.291 19287 1311 1 5 . 1 1 28 28 ASN C C 28 173.040 173.040 174.390 -1.350 19287 1312 1 5 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.755 -0.925 19287 1313 1 5 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.148 -0.748 19287 1314 1 5 . 1 1 28 28 ASN H H 28 7.930 7.930 7.982 -0.052 19287 1315 1 5 . 1 1 29 29 THR N N 29 103.070 103.070 111.130 -8.060 19287 1316 1 5 . 1 1 29 29 THR HA H 29 4.441 4.441 4.708 -0.267 19287 1317 1 5 . 1 1 29 29 THR C C 29 172.980 172.980 172.104 0.876 19287 1318 1 5 . 1 1 29 29 THR CA C 29 58.920 58.920 61.645 -2.725 19287 1319 1 5 . 1 1 29 29 THR CB C 29 73.260 73.260 71.372 1.888 19287 1320 1 5 . 1 1 29 29 THR H H 29 6.990 6.990 7.689 -0.699 19287 1321 1 5 . 1 1 30 30 CYS N N 30 118.340 118.340 119.413 -1.073 19287 1322 1 5 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.427 0.035 19287 1323 1 5 . 1 1 30 30 CYS C C 30 173.320 173.320 173.380 -0.060 19287 1324 1 5 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.359 0.391 19287 1325 1 5 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.790 18.890 19287 1326 1 5 . 1 1 30 30 CYS H H 30 8.954 8.954 8.615 0.339 19287 1327 1 5 . 1 1 31 31 HIS N N 31 118.930 118.930 120.644 -1.714 19287 1328 1 5 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.074 -0.294 19287 1329 1 5 . 1 1 31 31 HIS C C 31 172.790 172.790 173.778 -0.988 19287 1330 1 5 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.448 -1.918 19287 1331 1 5 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.150 -0.110 19287 1332 1 5 . 1 1 31 31 HIS H H 31 9.010 9.010 9.594 -0.584 19287 1333 1 5 . 1 1 32 32 SER N N 32 117.600 117.600 119.352 -1.752 19287 1334 1 5 . 1 1 32 32 SER HA H 32 4.700 4.700 4.297 0.403 19287 1335 1 5 . 1 1 32 32 SER C C 32 174.930 174.930 173.668 1.262 19287 1336 1 5 . 1 1 32 32 SER CA C 32 57.980 57.980 58.955 -0.975 19287 1337 1 5 . 1 1 32 32 SER CB C 32 64.440 64.440 63.510 0.930 19287 1338 1 5 . 1 1 32 32 SER H H 32 8.740 8.740 7.998 0.742 19287 1339 1 5 . 1 1 33 33 PHE N N 33 120.690 120.690 119.347 1.343 19287 1340 1 5 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.023 -0.233 19287 1341 1 5 . 1 1 33 33 PHE C C 33 171.810 171.810 173.694 -1.884 19287 1342 1 5 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.153 0.047 19287 1343 1 5 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.215 -0.985 19287 1344 1 5 . 1 1 33 33 PHE H H 33 8.830 8.830 8.999 -0.169 19287 1345 1 5 . 1 1 34 34 THR N N 34 116.650 116.650 111.813 4.837 19287 1346 1 5 . 1 1 34 34 THR HA H 34 3.965 3.965 4.233 -0.268 19287 1347 1 5 . 1 1 34 34 THR C C 34 172.600 172.600 172.563 0.037 19287 1348 1 5 . 1 1 34 34 THR CA C 34 61.980 61.980 60.845 1.135 19287 1349 1 5 . 1 1 34 34 THR CB C 34 68.530 68.530 69.680 -1.151 19287 1350 1 5 . 1 1 34 34 THR H H 34 8.400 8.400 8.154 0.246 19287 1351 1 5 . 1 1 35 35 TYR N N 35 127.790 127.790 126.106 1.684 19287 1352 1 5 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.674 -0.174 19287 1353 1 5 . 1 1 35 35 TYR C C 35 174.200 174.200 174.563 -0.363 19287 1354 1 5 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.593 -1.463 19287 1355 1 5 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.125 -2.475 19287 1356 1 5 . 1 1 35 35 TYR H H 35 8.010 8.010 8.569 -0.559 19287 1357 1 5 . 1 1 39 39 GLY N N 39 103.730 103.730 107.986 -4.256 19287 1358 1 5 . 1 1 39 39 GLY C C 39 175.700 175.700 173.349 2.351 19287 1359 1 5 . 1 1 39 39 GLY CA C 39 45.370 45.370 43.507 1.863 19287 1360 1 5 . 1 1 39 39 GLY H H 39 8.500 8.500 7.517 0.983 19287 1361 1 5 . 1 1 40 40 GLY N N 40 110.170 110.170 106.675 3.495 19287 1362 1 5 . 1 1 40 40 GLY C C 40 173.140 173.140 172.605 0.535 19287 1363 1 5 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.696 -0.376 19287 1364 1 5 . 1 1 40 40 GLY H H 40 8.670 8.670 7.737 0.933 19287 1365 1 5 . 1 1 41 41 ASN N N 41 116.960 116.960 117.851 -0.891 19287 1366 1 5 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.896 -0.336 19287 1367 1 5 . 1 1 41 41 ASN C C 41 173.670 173.670 175.633 -1.963 19287 1368 1 5 . 1 1 41 41 ASN CA C 41 51.850 51.850 51.457 0.393 19287 1369 1 5 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.254 -0.024 19287 1370 1 5 . 1 1 41 41 ASN H H 41 8.790 8.790 8.676 0.114 19287 1371 1 5 . 1 1 42 42 ALA N N 42 113.290 113.290 122.611 -9.321 19287 1372 1 5 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.162 -0.442 19287 1373 1 5 . 1 1 42 42 ALA C C 42 177.220 177.220 178.571 -1.351 19287 1374 1 5 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.744 -1.934 19287 1375 1 5 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.598 -0.618 19287 1376 1 5 . 1 1 42 42 ALA H H 42 7.590 7.590 8.730 -1.140 19287 1377 1 5 . 1 1 43 43 ASN N N 43 117.710 117.710 115.732 1.978 19287 1378 1 5 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.643 0.057 19287 1379 1 5 . 1 1 43 43 ASN C C 43 173.660 173.660 175.260 -1.600 19287 1380 1 5 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.857 -3.227 19287 1381 1 5 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.106 -3.266 19287 1382 1 5 . 1 1 43 43 ASN H H 43 7.900 7.900 8.156 -0.256 19287 1383 1 5 . 1 1 44 44 ARG N N 44 120.690 120.690 121.052 -0.362 19287 1384 1 5 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.249 0.443 19287 1385 1 5 . 1 1 44 44 ARG C C 44 173.530 173.530 175.141 -1.611 19287 1386 1 5 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.993 -0.333 19287 1387 1 5 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.451 1.999 19287 1388 1 5 . 1 1 44 44 ARG H H 44 6.860 6.860 7.524 -0.664 19287 1389 1 5 . 1 1 45 45 PHE N N 45 123.690 123.690 125.039 -1.349 19287 1390 1 5 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.912 -0.102 19287 1391 1 5 . 1 1 45 45 PHE C C 45 175.420 175.420 174.481 0.939 19287 1392 1 5 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.581 -0.911 19287 1393 1 5 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.192 0.598 19287 1394 1 5 . 1 1 45 45 PHE H H 45 9.340 9.340 8.301 1.039 19287 1395 1 5 . 1 1 46 46 ARG N N 46 120.920 120.920 117.272 3.648 19287 1396 1 5 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.619 -0.222 19287 1397 1 5 . 1 1 46 46 ARG C C 46 176.560 176.560 175.422 1.138 19287 1398 1 5 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.789 2.421 19287 1399 1 5 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.816 0.084 19287 1400 1 5 . 1 1 46 46 ARG H H 46 9.080 9.080 8.685 0.395 19287 1401 1 5 . 1 1 47 47 THR N N 47 102.800 102.800 112.187 -9.387 19287 1402 1 5 . 1 1 47 47 THR HA H 47 4.660 4.660 3.461 1.199 19287 1403 1 5 . 1 1 47 47 THR C C 47 174.110 174.110 173.451 0.659 19287 1404 1 5 . 1 1 47 47 THR CA C 47 58.170 58.170 59.692 -1.522 19287 1405 1 5 . 1 1 47 47 THR CB C 47 72.380 72.380 70.639 1.741 19287 1406 1 5 . 1 1 47 47 THR H H 47 7.230 7.230 7.364 -0.134 19287 1407 1 5 . 1 1 48 48 ILE N N 48 123.200 123.200 124.330 -1.130 19287 1408 1 5 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.625 -0.724 19287 1409 1 5 . 1 1 48 48 ILE C C 48 176.420 176.420 175.992 0.428 19287 1410 1 5 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.516 0.484 19287 1411 1 5 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.206 -1.146 19287 1412 1 5 . 1 1 48 48 ILE H H 48 8.110 8.110 7.892 0.218 19287 1413 1 5 . 1 1 49 49 ASP N N 49 119.560 119.560 120.079 -0.519 19287 1414 1 5 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.319 -0.189 19287 1415 1 5 . 1 1 49 49 ASP C C 49 177.740 177.740 178.506 -0.766 19287 1416 1 5 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.797 -1.107 19287 1417 1 5 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.366 -0.396 19287 1418 1 5 . 1 1 49 49 ASP H H 49 7.700 7.700 7.677 0.023 19287 1419 1 5 . 1 1 50 50 GLU N N 50 117.720 117.720 119.564 -1.844 19287 1420 1 5 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.268 -0.558 19287 1421 1 5 . 1 1 50 50 GLU C C 50 177.550 177.550 178.753 -1.203 19287 1422 1 5 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.650 -0.100 19287 1423 1 5 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.605 -0.415 19287 1424 1 5 . 1 1 50 50 GLU H H 50 7.410 7.410 7.758 -0.348 19287 1425 1 5 . 1 1 51 51 CYS N N 51 120.260 120.260 120.194 0.066 19287 1426 1 5 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.640 -1.990 19287 1427 1 5 . 1 1 51 51 CYS C C 51 175.070 175.070 176.348 -1.278 19287 1428 1 5 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.600 -2.480 19287 1429 1 5 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.342 16.658 19287 1430 1 5 . 1 1 51 51 CYS H H 51 6.760 6.760 7.989 -1.229 19287 1431 1 5 . 1 1 52 52 ASN N N 52 120.160 120.160 119.699 0.461 19287 1432 1 5 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.420 -0.330 19287 1433 1 5 . 1 1 52 52 ASN C C 52 177.820 177.820 177.761 0.059 19287 1434 1 5 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.125 -1.065 19287 1435 1 5 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.075 -0.575 19287 1436 1 5 . 1 1 52 52 ASN H H 52 8.650 8.650 8.677 -0.027 19287 1437 1 5 . 1 1 53 53 ARG N N 53 117.000 117.000 118.265 -1.265 19287 1438 1 5 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.096 -0.326 19287 1439 1 5 . 1 1 53 53 ARG C C 53 177.360 177.360 178.039 -0.679 19287 1440 1 5 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.864 -0.374 19287 1441 1 5 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.623 0.557 19287 1442 1 5 . 1 1 53 53 ARG H H 53 7.900 7.900 7.741 0.159 19287 1443 1 5 . 1 1 54 54 THR N N 54 112.080 112.080 111.973 0.107 19287 1444 1 5 . 1 1 54 54 THR HA H 54 3.838 3.838 4.367 -0.529 19287 1445 1 5 . 1 1 54 54 THR C C 54 174.990 174.990 174.194 0.796 19287 1446 1 5 . 1 1 54 54 THR CA C 54 65.740 65.740 64.733 1.007 19287 1447 1 5 . 1 1 54 54 THR CB C 54 68.870 68.870 69.959 -1.089 19287 1448 1 5 . 1 1 54 54 THR H H 54 7.260 7.260 7.850 -0.590 19287 1449 1 5 . 1 1 55 55 CYS N N 55 112.540 112.540 116.647 -4.107 19287 1450 1 5 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.431 -0.031 19287 1451 1 5 . 1 1 55 55 CYS C C 55 172.940 172.940 173.953 -1.013 19287 1452 1 5 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.423 -4.193 19287 1453 1 5 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.003 13.927 19287 1454 1 5 . 1 1 55 55 CYS H H 55 7.590 7.590 7.822 -0.232 19287 1455 1 5 . 1 1 56 56 VAL N N 56 119.720 119.720 123.337 -3.617 19287 1456 1 5 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.017 -0.386 19287 1457 1 5 . 1 1 56 56 VAL C C 56 176.710 176.710 175.770 0.940 19287 1458 1 5 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.478 1.062 19287 1459 1 5 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.568 0.402 19287 1460 1 5 . 1 1 56 56 VAL H H 56 7.280 7.280 7.851 -0.571 19287 1461 1 6 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.428 -0.411 19287 1462 1 6 . 1 1 2 2 PRO C C 2 177.920 177.920 177.906 0.014 19287 1463 1 6 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.447 0.353 19287 1464 1 6 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.604 -0.554 19287 1465 1 6 . 1 1 3 3 ARG N N 3 122.340 122.340 121.727 0.613 19287 1466 1 6 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.015 -0.229 19287 1467 1 6 . 1 1 3 3 ARG C C 3 178.950 178.950 175.347 3.603 19287 1468 1 6 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.897 0.513 19287 1469 1 6 . 1 1 3 3 ARG CB C 3 29.220 29.220 28.730 0.489 19287 1470 1 6 . 1 1 3 3 ARG H H 3 8.550 8.550 8.672 -0.122 19287 1471 1 6 . 1 1 4 4 PHE N N 4 113.010 113.010 113.270 -0.260 19287 1472 1 6 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.597 -0.297 19287 1473 1 6 . 1 1 4 4 PHE C C 4 176.070 176.070 176.640 -0.570 19287 1474 1 6 . 1 1 4 4 PHE CA C 4 58.220 58.220 57.189 1.031 19287 1475 1 6 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.335 -1.025 19287 1476 1 6 . 1 1 4 4 PHE H H 4 7.150 7.150 7.339 -0.189 19287 1477 1 6 . 1 1 5 5 CYS N N 5 118.600 118.600 119.671 -1.071 19287 1478 1 6 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.086 0.044 19287 1479 1 6 . 1 1 5 5 CYS C C 5 173.450 173.450 175.019 -1.569 19287 1480 1 6 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.707 -2.747 19287 1481 1 6 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.018 13.192 19287 1482 1 6 . 1 1 5 5 CYS H H 5 7.090 7.090 7.298 -0.208 19287 1483 1 6 . 1 1 6 6 GLU N N 6 110.710 110.710 117.879 -7.169 19287 1484 1 6 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.442 -0.260 19287 1485 1 6 . 1 1 6 6 GLU C C 6 176.310 176.310 176.312 -0.002 19287 1486 1 6 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.699 -0.189 19287 1487 1 6 . 1 1 6 6 GLU CB C 6 28.160 28.160 28.816 -0.656 19287 1488 1 6 . 1 1 6 6 GLU H H 6 7.300 7.300 8.006 -0.706 19287 1489 1 6 . 1 1 7 7 LEU N N 7 119.090 119.090 120.975 -1.885 19287 1490 1 6 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.281 -0.121 19287 1491 1 6 . 1 1 7 7 LEU C C 7 176.630 176.630 175.986 0.644 19287 1492 1 6 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.026 0.484 19287 1493 1 6 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.667 -0.337 19287 1494 1 6 . 1 1 7 7 LEU H H 7 7.210 7.210 7.143 0.067 19287 1495 1 6 . 1 1 8 8 ALA N N 8 124.490 124.490 121.791 2.699 19287 1496 1 6 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.688 -0.438 19287 1497 1 6 . 1 1 8 8 ALA C C 8 174.710 174.710 175.532 -0.822 19287 1498 1 6 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.791 1.419 19287 1499 1 6 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.749 -2.819 19287 1500 1 6 . 1 1 8 8 ALA H H 8 8.280 8.280 8.221 0.059 19287 1501 1 6 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.610 -0.430 19287 1502 1 6 . 1 1 9 9 PRO C C 9 176.700 176.700 176.712 -0.012 19287 1503 1 6 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.840 -1.349 19287 1504 1 6 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.451 -2.091 19287 1505 1 6 . 1 1 10 10 SER N N 10 112.100 112.100 122.354 -10.254 19287 1506 1 6 . 1 1 10 10 SER HA H 10 4.630 4.630 4.404 0.226 19287 1507 1 6 . 1 1 10 10 SER C C 10 174.190 174.190 175.036 -0.846 19287 1508 1 6 . 1 1 10 10 SER CA C 10 55.360 55.360 56.774 -1.414 19287 1509 1 6 . 1 1 10 10 SER CB C 10 64.550 64.550 61.877 2.673 19287 1510 1 6 . 1 1 10 10 SER H H 10 7.450 7.450 8.832 -1.382 19287 1511 1 6 . 1 1 11 11 ALA N N 11 129.980 129.980 123.850 6.130 19287 1512 1 6 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.036 0.460 19287 1513 1 6 . 1 1 11 11 ALA C C 11 178.510 178.510 179.257 -0.747 19287 1514 1 6 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.097 0.713 19287 1515 1 6 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.876 1.034 19287 1516 1 6 . 1 1 11 11 ALA H H 11 9.210 9.210 8.069 1.141 19287 1517 1 6 . 1 1 12 12 GLY N N 12 104.410 104.410 105.476 -1.066 19287 1518 1 6 . 1 1 12 12 GLY C C 12 174.850 174.850 175.751 -0.901 19287 1519 1 6 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.352 -0.902 19287 1520 1 6 . 1 1 12 12 GLY H H 12 8.190 8.190 8.561 -0.371 19287 1521 1 6 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.610 -0.360 19287 1522 1 6 . 1 1 14 14 CYS C C 14 172.410 172.410 173.629 -1.219 19287 1523 1 6 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.980 1.770 19287 1524 1 6 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.377 8.753 19287 1525 1 6 . 1 1 15 15 PHE N N 15 116.000 116.000 124.254 -8.254 19287 1526 1 6 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.755 -0.375 19287 1527 1 6 . 1 1 15 15 PHE C C 15 174.300 174.300 174.377 -0.077 19287 1528 1 6 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.390 -0.560 19287 1529 1 6 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.938 0.502 19287 1530 1 6 . 1 1 15 15 PHE H H 15 7.960 7.960 8.646 -0.686 19287 1531 1 6 . 1 1 16 16 ALA N N 16 125.630 125.630 130.439 -4.809 19287 1532 1 6 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.206 0.114 19287 1533 1 6 . 1 1 16 16 ALA C C 16 174.300 174.300 175.214 -0.914 19287 1534 1 6 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.984 -1.854 19287 1535 1 6 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.824 -2.644 19287 1536 1 6 . 1 1 16 16 ALA H H 16 7.800 7.800 8.040 -0.240 19287 1537 1 6 . 1 1 17 17 PHE N N 17 116.330 116.330 121.991 -5.661 19287 1538 1 6 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.795 -0.405 19287 1539 1 6 . 1 1 17 17 PHE C C 17 175.310 175.310 174.241 1.069 19287 1540 1 6 . 1 1 17 17 PHE CA C 17 57.160 57.160 56.379 0.781 19287 1541 1 6 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.048 -1.668 19287 1542 1 6 . 1 1 17 17 PHE H H 17 7.330 7.330 8.131 -0.801 19287 1543 1 6 . 1 1 18 18 VAL N N 18 122.890 122.890 124.654 -1.764 19287 1544 1 6 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.452 0.023 19287 1545 1 6 . 1 1 18 18 VAL C C 18 173.590 173.590 173.108 0.482 19287 1546 1 6 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.381 0.519 19287 1547 1 6 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.081 0.819 19287 1548 1 6 . 1 1 18 18 VAL H H 18 8.680 8.680 8.490 0.190 19287 1549 1 6 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.293 -0.018 19287 1550 1 6 . 1 1 19 19 PRO C C 19 176.940 176.940 176.339 0.601 19287 1551 1 6 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.521 1.539 19287 1552 1 6 . 1 1 19 19 PRO CB C 19 31.710 31.710 30.882 0.828 19287 1553 1 6 . 1 1 20 20 SER N N 20 120.230 120.230 118.841 1.389 19287 1554 1 6 . 1 1 20 20 SER HA H 20 4.780 4.780 4.620 0.160 19287 1555 1 6 . 1 1 20 20 SER C C 20 170.900 170.900 172.890 -1.990 19287 1556 1 6 . 1 1 20 20 SER CA C 20 57.450 57.450 57.309 0.141 19287 1557 1 6 . 1 1 20 20 SER CB C 20 67.910 67.910 65.781 2.129 19287 1558 1 6 . 1 1 20 20 SER H H 20 8.390 8.390 7.576 0.814 19287 1559 1 6 . 1 1 21 21 TYR N N 21 118.220 118.220 118.898 -0.678 19287 1560 1 6 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.088 0.512 19287 1561 1 6 . 1 1 21 21 TYR C C 21 173.770 173.770 175.187 -1.417 19287 1562 1 6 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.268 -0.528 19287 1563 1 6 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.808 0.852 19287 1564 1 6 . 1 1 21 21 TYR H H 21 9.020 9.020 9.025 -0.005 19287 1565 1 6 . 1 1 22 22 TYR N N 22 119.260 119.260 125.724 -6.464 19287 1566 1 6 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.827 0.283 19287 1567 1 6 . 1 1 22 22 TYR C C 22 172.610 172.610 173.890 -1.280 19287 1568 1 6 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.195 -0.815 19287 1569 1 6 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.419 -0.869 19287 1570 1 6 . 1 1 22 22 TYR H H 22 9.410 9.410 9.741 -0.331 19287 1571 1 6 . 1 1 23 23 TYR N N 23 123.200 123.200 128.438 -5.238 19287 1572 1 6 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.900 -0.518 19287 1573 1 6 . 1 1 23 23 TYR C C 23 173.250 173.250 174.411 -1.161 19287 1574 1 6 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.391 0.969 19287 1575 1 6 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.542 0.028 19287 1576 1 6 . 1 1 23 23 TYR H H 23 10.190 10.190 8.434 1.756 19287 1577 1 6 . 1 1 24 24 ASN N N 24 126.280 126.280 127.957 -1.677 19287 1578 1 6 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.921 -0.371 19287 1579 1 6 . 1 1 24 24 ASN C C 24 174.000 174.000 175.492 -1.492 19287 1580 1 6 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.818 -0.458 19287 1581 1 6 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.770 1.270 19287 1582 1 6 . 1 1 24 24 ASN H H 24 7.890 7.890 8.626 -0.736 19287 1583 1 6 . 1 1 25 25 GLN N N 25 122.760 122.760 122.673 0.087 19287 1584 1 6 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.742 -0.051 19287 1585 1 6 . 1 1 25 25 GLN C C 25 175.670 175.670 177.380 -1.710 19287 1586 1 6 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.479 -0.999 19287 1587 1 6 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.637 0.483 19287 1588 1 6 . 1 1 25 25 GLN H H 25 8.440 8.440 8.004 0.436 19287 1589 1 6 . 1 1 26 26 TYR N N 26 119.190 119.190 119.729 -0.539 19287 1590 1 6 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.245 -0.085 19287 1591 1 6 . 1 1 26 26 TYR C C 26 176.520 176.520 176.943 -0.423 19287 1592 1 6 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.172 -0.002 19287 1593 1 6 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.855 -0.975 19287 1594 1 6 . 1 1 26 26 TYR H H 26 7.810 7.810 7.790 0.020 19287 1595 1 6 . 1 1 27 27 SER N N 27 109.600 109.600 111.484 -1.884 19287 1596 1 6 . 1 1 27 27 SER HA H 27 4.330 4.330 4.604 -0.274 19287 1597 1 6 . 1 1 27 27 SER C C 27 174.830 174.830 173.822 1.008 19287 1598 1 6 . 1 1 27 27 SER CA C 27 57.490 57.490 57.446 0.044 19287 1599 1 6 . 1 1 27 27 SER CB C 27 64.640 64.640 64.076 0.564 19287 1600 1 6 . 1 1 27 27 SER H H 27 7.350 7.350 7.649 -0.299 19287 1601 1 6 . 1 1 28 28 ASN N N 28 119.830 119.830 119.020 0.810 19287 1602 1 6 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.361 -0.301 19287 1603 1 6 . 1 1 28 28 ASN C C 28 173.040 173.040 174.386 -1.346 19287 1604 1 6 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.736 -0.906 19287 1605 1 6 . 1 1 28 28 ASN CB C 28 37.400 37.400 37.961 -0.561 19287 1606 1 6 . 1 1 28 28 ASN H H 28 7.930 7.930 8.094 -0.164 19287 1607 1 6 . 1 1 29 29 THR N N 29 103.070 103.070 110.911 -7.841 19287 1608 1 6 . 1 1 29 29 THR HA H 29 4.441 4.441 4.675 -0.234 19287 1609 1 6 . 1 1 29 29 THR C C 29 172.980 172.980 171.997 0.983 19287 1610 1 6 . 1 1 29 29 THR CA C 29 58.920 58.920 61.325 -2.405 19287 1611 1 6 . 1 1 29 29 THR CB C 29 73.260 73.260 70.800 2.460 19287 1612 1 6 . 1 1 29 29 THR H H 29 6.990 6.990 7.573 -0.583 19287 1613 1 6 . 1 1 30 30 CYS N N 30 118.340 118.340 118.788 -0.448 19287 1614 1 6 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.546 -0.084 19287 1615 1 6 . 1 1 30 30 CYS C C 30 173.320 173.320 173.473 -0.153 19287 1616 1 6 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.111 0.639 19287 1617 1 6 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.229 19.451 19287 1618 1 6 . 1 1 30 30 CYS H H 30 8.954 8.954 8.629 0.325 19287 1619 1 6 . 1 1 31 31 HIS N N 31 118.930 118.930 120.425 -1.495 19287 1620 1 6 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.112 -0.332 19287 1621 1 6 . 1 1 31 31 HIS C C 31 172.790 172.790 173.858 -1.068 19287 1622 1 6 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.273 -1.743 19287 1623 1 6 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.500 -0.460 19287 1624 1 6 . 1 1 31 31 HIS H H 31 9.010 9.010 9.498 -0.488 19287 1625 1 6 . 1 1 32 32 SER N N 32 117.600 117.600 118.692 -1.092 19287 1626 1 6 . 1 1 32 32 SER HA H 32 4.700 4.700 4.219 0.481 19287 1627 1 6 . 1 1 32 32 SER C C 32 174.930 174.930 173.704 1.226 19287 1628 1 6 . 1 1 32 32 SER CA C 32 57.980 57.980 58.703 -0.723 19287 1629 1 6 . 1 1 32 32 SER CB C 32 64.440 64.440 63.455 0.985 19287 1630 1 6 . 1 1 32 32 SER H H 32 8.740 8.740 7.979 0.761 19287 1631 1 6 . 1 1 33 33 PHE N N 33 120.690 120.690 119.792 0.898 19287 1632 1 6 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.029 -0.239 19287 1633 1 6 . 1 1 33 33 PHE C C 33 171.810 171.810 173.274 -1.464 19287 1634 1 6 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.948 0.252 19287 1635 1 6 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.253 -1.023 19287 1636 1 6 . 1 1 33 33 PHE H H 33 8.830 8.830 8.953 -0.123 19287 1637 1 6 . 1 1 34 34 THR N N 34 116.650 116.650 111.795 4.855 19287 1638 1 6 . 1 1 34 34 THR HA H 34 3.965 3.965 4.256 -0.291 19287 1639 1 6 . 1 1 34 34 THR C C 34 172.600 172.600 172.402 0.198 19287 1640 1 6 . 1 1 34 34 THR CA C 34 61.980 61.980 60.653 1.327 19287 1641 1 6 . 1 1 34 34 THR CB C 34 68.530 68.530 69.543 -1.014 19287 1642 1 6 . 1 1 34 34 THR H H 34 8.400 8.400 8.250 0.150 19287 1643 1 6 . 1 1 35 35 TYR N N 35 127.790 127.790 125.510 2.280 19287 1644 1 6 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.719 -0.219 19287 1645 1 6 . 1 1 35 35 TYR C C 35 174.200 174.200 175.027 -0.827 19287 1646 1 6 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.159 -1.029 19287 1647 1 6 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.499 -2.849 19287 1648 1 6 . 1 1 35 35 TYR H H 35 8.010 8.010 7.781 0.229 19287 1649 1 6 . 1 1 39 39 GLY N N 39 103.730 103.730 107.597 -3.867 19287 1650 1 6 . 1 1 39 39 GLY C C 39 175.700 175.700 172.654 3.046 19287 1651 1 6 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.130 1.240 19287 1652 1 6 . 1 1 39 39 GLY H H 39 8.500 8.500 7.400 1.100 19287 1653 1 6 . 1 1 40 40 GLY N N 40 110.170 110.170 107.158 3.012 19287 1654 1 6 . 1 1 40 40 GLY C C 40 173.140 173.140 172.845 0.295 19287 1655 1 6 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.652 -0.332 19287 1656 1 6 . 1 1 40 40 GLY H H 40 8.670 8.670 7.738 0.932 19287 1657 1 6 . 1 1 41 41 ASN N N 41 116.960 116.960 117.730 -0.770 19287 1658 1 6 . 1 1 41 41 ASN HA H 41 4.560 4.560 5.047 -0.487 19287 1659 1 6 . 1 1 41 41 ASN C C 41 173.670 173.670 175.846 -2.176 19287 1660 1 6 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.233 -0.383 19287 1661 1 6 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.887 -0.657 19287 1662 1 6 . 1 1 41 41 ASN H H 41 8.790 8.790 8.618 0.172 19287 1663 1 6 . 1 1 42 42 ALA N N 42 113.290 113.290 123.057 -9.767 19287 1664 1 6 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.027 -0.307 19287 1665 1 6 . 1 1 42 42 ALA C C 42 177.220 177.220 178.226 -1.006 19287 1666 1 6 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.670 -1.860 19287 1667 1 6 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.625 -0.645 19287 1668 1 6 . 1 1 42 42 ALA H H 42 7.590 7.590 8.707 -1.117 19287 1669 1 6 . 1 1 43 43 ASN N N 43 117.710 117.710 115.657 2.053 19287 1670 1 6 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.463 0.237 19287 1671 1 6 . 1 1 43 43 ASN C C 43 173.660 173.660 175.150 -1.490 19287 1672 1 6 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.750 -4.120 19287 1673 1 6 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.996 -3.156 19287 1674 1 6 . 1 1 43 43 ASN H H 43 7.900 7.900 8.061 -0.161 19287 1675 1 6 . 1 1 44 44 ARG N N 44 120.690 120.690 120.523 0.167 19287 1676 1 6 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.622 0.070 19287 1677 1 6 . 1 1 44 44 ARG C C 44 173.530 173.530 174.740 -1.210 19287 1678 1 6 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.809 -0.149 19287 1679 1 6 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.110 1.340 19287 1680 1 6 . 1 1 44 44 ARG H H 44 6.860 6.860 7.308 -0.448 19287 1681 1 6 . 1 1 45 45 PHE N N 45 123.690 123.690 121.734 1.956 19287 1682 1 6 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.900 -0.090 19287 1683 1 6 . 1 1 45 45 PHE C C 45 175.420 175.420 175.446 -0.026 19287 1684 1 6 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.761 -1.091 19287 1685 1 6 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.905 0.885 19287 1686 1 6 . 1 1 45 45 PHE H H 45 9.340 9.340 9.108 0.232 19287 1687 1 6 . 1 1 46 46 ARG N N 46 120.920 120.920 118.005 2.915 19287 1688 1 6 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.560 -0.163 19287 1689 1 6 . 1 1 46 46 ARG C C 46 176.560 176.560 175.768 0.792 19287 1690 1 6 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.588 2.622 19287 1691 1 6 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.811 0.089 19287 1692 1 6 . 1 1 46 46 ARG H H 46 9.080 9.080 8.711 0.369 19287 1693 1 6 . 1 1 47 47 THR N N 47 102.800 102.800 111.924 -9.124 19287 1694 1 6 . 1 1 47 47 THR HA H 47 4.660 4.660 3.785 0.875 19287 1695 1 6 . 1 1 47 47 THR C C 47 174.110 174.110 173.234 0.876 19287 1696 1 6 . 1 1 47 47 THR CA C 47 58.170 58.170 59.241 -1.071 19287 1697 1 6 . 1 1 47 47 THR CB C 47 72.380 72.380 71.154 1.226 19287 1698 1 6 . 1 1 47 47 THR H H 47 7.230 7.230 7.270 -0.040 19287 1699 1 6 . 1 1 48 48 ILE N N 48 123.200 123.200 124.010 -0.810 19287 1700 1 6 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.693 -0.792 19287 1701 1 6 . 1 1 48 48 ILE C C 48 176.420 176.420 175.881 0.539 19287 1702 1 6 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.513 0.487 19287 1703 1 6 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.121 -1.061 19287 1704 1 6 . 1 1 48 48 ILE H H 48 8.110 8.110 7.925 0.185 19287 1705 1 6 . 1 1 49 49 ASP N N 49 119.560 119.560 120.315 -0.755 19287 1706 1 6 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.259 -0.129 19287 1707 1 6 . 1 1 49 49 ASP C C 49 177.740 177.740 178.006 -0.266 19287 1708 1 6 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.918 -1.228 19287 1709 1 6 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.266 -0.295 19287 1710 1 6 . 1 1 49 49 ASP H H 49 7.700 7.700 7.620 0.080 19287 1711 1 6 . 1 1 50 50 GLU N N 50 117.720 117.720 119.081 -1.361 19287 1712 1 6 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.077 -0.367 19287 1713 1 6 . 1 1 50 50 GLU C C 50 177.550 177.550 178.527 -0.977 19287 1714 1 6 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.833 -0.283 19287 1715 1 6 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.216 -0.026 19287 1716 1 6 . 1 1 50 50 GLU H H 50 7.410 7.410 7.896 -0.486 19287 1717 1 6 . 1 1 51 51 CYS N N 51 120.260 120.260 119.234 1.026 19287 1718 1 6 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.812 -1.162 19287 1719 1 6 . 1 1 51 51 CYS C C 51 175.070 175.070 176.225 -1.155 19287 1720 1 6 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.066 -1.946 19287 1721 1 6 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.964 17.036 19287 1722 1 6 . 1 1 51 51 CYS H H 51 6.760 6.760 7.753 -0.993 19287 1723 1 6 . 1 1 52 52 ASN N N 52 120.160 120.160 119.734 0.426 19287 1724 1 6 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.405 -0.315 19287 1725 1 6 . 1 1 52 52 ASN C C 52 177.820 177.820 177.816 0.004 19287 1726 1 6 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.795 -0.735 19287 1727 1 6 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.066 -0.566 19287 1728 1 6 . 1 1 52 52 ASN H H 52 8.650 8.650 8.455 0.195 19287 1729 1 6 . 1 1 53 53 ARG N N 53 117.000 117.000 117.936 -0.936 19287 1730 1 6 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.070 -0.300 19287 1731 1 6 . 1 1 53 53 ARG C C 53 177.360 177.360 177.990 -0.630 19287 1732 1 6 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.737 -0.247 19287 1733 1 6 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.476 0.704 19287 1734 1 6 . 1 1 53 53 ARG H H 53 7.900 7.900 8.110 -0.210 19287 1735 1 6 . 1 1 54 54 THR N N 54 112.080 112.080 111.939 0.141 19287 1736 1 6 . 1 1 54 54 THR HA H 54 3.838 3.838 4.405 -0.567 19287 1737 1 6 . 1 1 54 54 THR C C 54 174.990 174.990 174.309 0.681 19287 1738 1 6 . 1 1 54 54 THR CA C 54 65.740 65.740 63.021 2.719 19287 1739 1 6 . 1 1 54 54 THR CB C 54 68.870 68.870 69.935 -1.065 19287 1740 1 6 . 1 1 54 54 THR H H 54 7.260 7.260 7.846 -0.586 19287 1741 1 6 . 1 1 55 55 CYS N N 55 112.540 112.540 116.867 -4.327 19287 1742 1 6 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.400 0.000 19287 1743 1 6 . 1 1 55 55 CYS C C 55 172.940 172.940 174.340 -1.400 19287 1744 1 6 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.628 -4.398 19287 1745 1 6 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.450 13.480 19287 1746 1 6 . 1 1 55 55 CYS H H 55 7.590 7.590 7.379 0.211 19287 1747 1 6 . 1 1 56 56 VAL N N 56 119.720 119.720 123.929 -4.209 19287 1748 1 6 . 1 1 56 56 VAL HA H 56 3.631 3.631 3.965 -0.334 19287 1749 1 6 . 1 1 56 56 VAL C C 56 176.710 176.710 176.173 0.537 19287 1750 1 6 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.860 0.680 19287 1751 1 6 . 1 1 56 56 VAL CB C 56 30.970 30.970 32.005 -1.035 19287 1752 1 6 . 1 1 56 56 VAL H H 56 7.280 7.280 7.689 -0.409 19287 1753 1 7 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.388 -0.371 19287 1754 1 7 . 1 1 2 2 PRO C C 2 177.920 177.920 177.397 0.523 19287 1755 1 7 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.178 0.622 19287 1756 1 7 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.625 -0.575 19287 1757 1 7 . 1 1 3 3 ARG N N 3 122.340 122.340 122.390 -0.050 19287 1758 1 7 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.937 -0.151 19287 1759 1 7 . 1 1 3 3 ARG C C 3 178.950 178.950 178.060 0.890 19287 1760 1 7 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.246 0.164 19287 1761 1 7 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.487 -0.267 19287 1762 1 7 . 1 1 3 3 ARG H H 3 8.550 8.550 8.757 -0.207 19287 1763 1 7 . 1 1 4 4 PHE N N 4 113.010 113.010 116.872 -3.862 19287 1764 1 7 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.501 -0.201 19287 1765 1 7 . 1 1 4 4 PHE C C 4 176.070 176.070 176.197 -0.127 19287 1766 1 7 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.749 -0.529 19287 1767 1 7 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.080 -0.770 19287 1768 1 7 . 1 1 4 4 PHE H H 4 7.150 7.150 7.930 -0.780 19287 1769 1 7 . 1 1 5 5 CYS N N 5 118.600 118.600 116.892 1.708 19287 1770 1 7 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.205 -0.075 19287 1771 1 7 . 1 1 5 5 CYS C C 5 173.450 173.450 174.641 -1.191 19287 1772 1 7 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.485 -2.525 19287 1773 1 7 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.452 13.758 19287 1774 1 7 . 1 1 5 5 CYS H H 5 7.090 7.090 7.224 -0.134 19287 1775 1 7 . 1 1 6 6 GLU N N 6 110.710 110.710 117.874 -7.164 19287 1776 1 7 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.381 -0.199 19287 1777 1 7 . 1 1 6 6 GLU C C 6 176.310 176.310 176.272 0.038 19287 1778 1 7 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.051 0.459 19287 1779 1 7 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.320 -1.160 19287 1780 1 7 . 1 1 6 6 GLU H H 6 7.300 7.300 7.440 -0.140 19287 1781 1 7 . 1 1 7 7 LEU N N 7 119.090 119.090 120.930 -1.840 19287 1782 1 7 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.390 -0.230 19287 1783 1 7 . 1 1 7 7 LEU C C 7 176.630 176.630 175.806 0.824 19287 1784 1 7 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.346 0.164 19287 1785 1 7 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.990 -0.660 19287 1786 1 7 . 1 1 7 7 LEU H H 7 7.210 7.210 7.088 0.121 19287 1787 1 7 . 1 1 8 8 ALA N N 8 124.490 124.490 121.848 2.642 19287 1788 1 7 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.687 -0.437 19287 1789 1 7 . 1 1 8 8 ALA C C 8 174.710 174.710 175.146 -0.436 19287 1790 1 7 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.741 1.469 19287 1791 1 7 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.430 -2.499 19287 1792 1 7 . 1 1 8 8 ALA H H 8 8.280 8.280 8.326 -0.046 19287 1793 1 7 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.511 -0.331 19287 1794 1 7 . 1 1 9 9 PRO C C 9 176.700 176.700 176.937 -0.237 19287 1795 1 7 . 1 1 9 9 PRO CA C 9 61.490 61.490 63.088 -1.598 19287 1796 1 7 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.109 -1.749 19287 1797 1 7 . 1 1 10 10 SER N N 10 112.100 112.100 121.733 -9.633 19287 1798 1 7 . 1 1 10 10 SER HA H 10 4.630 4.630 4.442 0.188 19287 1799 1 7 . 1 1 10 10 SER C C 10 174.190 174.190 174.952 -0.762 19287 1800 1 7 . 1 1 10 10 SER CA C 10 55.360 55.360 56.334 -0.974 19287 1801 1 7 . 1 1 10 10 SER CB C 10 64.550 64.550 62.048 2.502 19287 1802 1 7 . 1 1 10 10 SER H H 10 7.450 7.450 8.856 -1.406 19287 1803 1 7 . 1 1 11 11 ALA N N 11 129.980 129.980 123.562 6.418 19287 1804 1 7 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.106 0.390 19287 1805 1 7 . 1 1 11 11 ALA C C 11 178.510 178.510 178.361 0.149 19287 1806 1 7 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.690 1.120 19287 1807 1 7 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.899 1.011 19287 1808 1 7 . 1 1 11 11 ALA H H 11 9.210 9.210 7.817 1.393 19287 1809 1 7 . 1 1 12 12 GLY N N 12 104.410 104.410 104.546 -0.136 19287 1810 1 7 . 1 1 12 12 GLY C C 12 174.850 174.850 175.612 -0.762 19287 1811 1 7 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.913 -0.462 19287 1812 1 7 . 1 1 12 12 GLY H H 12 8.190 8.190 8.409 -0.219 19287 1813 1 7 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.580 -0.330 19287 1814 1 7 . 1 1 14 14 CYS C C 14 172.410 172.410 173.752 -1.342 19287 1815 1 7 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.453 2.297 19287 1816 1 7 . 1 1 14 14 CYS CB C 14 39.130 39.130 29.558 9.572 19287 1817 1 7 . 1 1 15 15 PHE N N 15 116.000 116.000 123.583 -7.583 19287 1818 1 7 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.546 -0.166 19287 1819 1 7 . 1 1 15 15 PHE C C 15 174.300 174.300 174.820 -0.520 19287 1820 1 7 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.921 -1.091 19287 1821 1 7 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.832 0.608 19287 1822 1 7 . 1 1 15 15 PHE H H 15 7.960 7.960 8.571 -0.611 19287 1823 1 7 . 1 1 16 16 ALA N N 16 125.630 125.630 130.810 -5.180 19287 1824 1 7 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.675 -0.355 19287 1825 1 7 . 1 1 16 16 ALA C C 16 174.300 174.300 174.566 -0.266 19287 1826 1 7 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.925 -1.796 19287 1827 1 7 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.697 -2.517 19287 1828 1 7 . 1 1 16 16 ALA H H 16 7.800 7.800 8.293 -0.493 19287 1829 1 7 . 1 1 17 17 PHE N N 17 116.330 116.330 124.949 -8.619 19287 1830 1 7 . 1 1 17 17 PHE HA H 17 4.390 4.390 5.366 -0.976 19287 1831 1 7 . 1 1 17 17 PHE C C 17 175.310 175.310 173.960 1.350 19287 1832 1 7 . 1 1 17 17 PHE CA C 17 57.160 57.160 54.991 2.169 19287 1833 1 7 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.795 -1.415 19287 1834 1 7 . 1 1 17 17 PHE H H 17 7.330 7.330 8.648 -1.318 19287 1835 1 7 . 1 1 18 18 VAL N N 18 122.890 122.890 125.032 -2.142 19287 1836 1 7 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.578 -0.103 19287 1837 1 7 . 1 1 18 18 VAL C C 18 173.590 173.590 173.521 0.069 19287 1838 1 7 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.250 0.650 19287 1839 1 7 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.568 -0.668 19287 1840 1 7 . 1 1 18 18 VAL H H 18 8.680 8.680 9.007 -0.327 19287 1841 1 7 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.671 -0.397 19287 1842 1 7 . 1 1 19 19 PRO C C 19 176.940 176.940 176.471 0.469 19287 1843 1 7 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.591 1.469 19287 1844 1 7 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.308 0.402 19287 1845 1 7 . 1 1 20 20 SER N N 20 120.230 120.230 119.525 0.705 19287 1846 1 7 . 1 1 20 20 SER HA H 20 4.780 4.780 4.726 0.054 19287 1847 1 7 . 1 1 20 20 SER C C 20 170.900 170.900 173.040 -2.140 19287 1848 1 7 . 1 1 20 20 SER CA C 20 57.450 57.450 57.204 0.246 19287 1849 1 7 . 1 1 20 20 SER CB C 20 67.910 67.910 66.829 1.081 19287 1850 1 7 . 1 1 20 20 SER H H 20 8.390 8.390 7.915 0.475 19287 1851 1 7 . 1 1 21 21 TYR N N 21 118.220 118.220 118.811 -0.591 19287 1852 1 7 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.129 0.471 19287 1853 1 7 . 1 1 21 21 TYR C C 21 173.770 173.770 175.153 -1.383 19287 1854 1 7 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.196 -0.456 19287 1855 1 7 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.949 0.711 19287 1856 1 7 . 1 1 21 21 TYR H H 21 9.020 9.020 8.477 0.543 19287 1857 1 7 . 1 1 22 22 TYR N N 22 119.260 119.260 125.236 -5.976 19287 1858 1 7 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.706 0.404 19287 1859 1 7 . 1 1 22 22 TYR C C 22 172.610 172.610 174.020 -1.410 19287 1860 1 7 . 1 1 22 22 TYR CA C 22 55.380 55.380 55.947 -0.567 19287 1861 1 7 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.703 -1.153 19287 1862 1 7 . 1 1 22 22 TYR H H 22 9.410 9.410 9.547 -0.137 19287 1863 1 7 . 1 1 23 23 TYR N N 23 123.200 123.200 126.508 -3.308 19287 1864 1 7 . 1 1 23 23 TYR HA H 23 4.382 4.382 5.002 -0.620 19287 1865 1 7 . 1 1 23 23 TYR C C 23 173.250 173.250 174.004 -0.754 19287 1866 1 7 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.677 1.683 19287 1867 1 7 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.412 -1.842 19287 1868 1 7 . 1 1 23 23 TYR H H 23 10.190 10.190 8.573 1.617 19287 1869 1 7 . 1 1 24 24 ASN N N 24 126.280 126.280 126.597 -0.317 19287 1870 1 7 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.920 -0.370 19287 1871 1 7 . 1 1 24 24 ASN C C 24 174.000 174.000 175.359 -1.359 19287 1872 1 7 . 1 1 24 24 ASN CA C 24 51.360 51.360 52.083 -0.723 19287 1873 1 7 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.218 0.823 19287 1874 1 7 . 1 1 24 24 ASN H H 24 7.890 7.890 8.477 -0.587 19287 1875 1 7 . 1 1 25 25 GLN N N 25 122.760 122.760 122.093 0.667 19287 1876 1 7 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.812 -0.121 19287 1877 1 7 . 1 1 25 25 GLN C C 25 175.670 175.670 177.189 -1.519 19287 1878 1 7 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.538 -1.058 19287 1879 1 7 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.782 0.338 19287 1880 1 7 . 1 1 25 25 GLN H H 25 8.440 8.440 8.239 0.201 19287 1881 1 7 . 1 1 26 26 TYR N N 26 119.190 119.190 119.414 -0.224 19287 1882 1 7 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.292 -0.132 19287 1883 1 7 . 1 1 26 26 TYR C C 26 176.520 176.520 176.823 -0.303 19287 1884 1 7 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.899 0.271 19287 1885 1 7 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.637 -0.757 19287 1886 1 7 . 1 1 26 26 TYR H H 26 7.810 7.810 7.474 0.336 19287 1887 1 7 . 1 1 27 27 SER N N 27 109.600 109.600 111.715 -2.115 19287 1888 1 7 . 1 1 27 27 SER HA H 27 4.330 4.330 4.591 -0.261 19287 1889 1 7 . 1 1 27 27 SER C C 27 174.830 174.830 173.862 0.968 19287 1890 1 7 . 1 1 27 27 SER CA C 27 57.490 57.490 57.407 0.083 19287 1891 1 7 . 1 1 27 27 SER CB C 27 64.640 64.640 64.078 0.562 19287 1892 1 7 . 1 1 27 27 SER H H 27 7.350 7.350 7.613 -0.263 19287 1893 1 7 . 1 1 28 28 ASN N N 28 119.830 119.830 118.509 1.321 19287 1894 1 7 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.361 -0.301 19287 1895 1 7 . 1 1 28 28 ASN C C 28 173.040 173.040 174.142 -1.102 19287 1896 1 7 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.755 -0.925 19287 1897 1 7 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.248 -0.848 19287 1898 1 7 . 1 1 28 28 ASN H H 28 7.930 7.930 8.040 -0.110 19287 1899 1 7 . 1 1 29 29 THR N N 29 103.070 103.070 111.657 -8.587 19287 1900 1 7 . 1 1 29 29 THR HA H 29 4.441 4.441 4.686 -0.245 19287 1901 1 7 . 1 1 29 29 THR C C 29 172.980 172.980 171.999 0.981 19287 1902 1 7 . 1 1 29 29 THR CA C 29 58.920 58.920 61.352 -2.432 19287 1903 1 7 . 1 1 29 29 THR CB C 29 73.260 73.260 71.330 1.930 19287 1904 1 7 . 1 1 29 29 THR H H 29 6.990 6.990 7.531 -0.541 19287 1905 1 7 . 1 1 30 30 CYS N N 30 118.340 118.340 119.358 -1.018 19287 1906 1 7 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.544 -0.082 19287 1907 1 7 . 1 1 30 30 CYS C C 30 173.320 173.320 173.707 -0.387 19287 1908 1 7 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.818 -0.068 19287 1909 1 7 . 1 1 30 30 CYS CB C 30 50.680 50.680 32.236 18.445 19287 1910 1 7 . 1 1 30 30 CYS H H 30 8.954 8.954 8.664 0.290 19287 1911 1 7 . 1 1 31 31 HIS N N 31 118.930 118.930 119.498 -0.568 19287 1912 1 7 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.024 -0.244 19287 1913 1 7 . 1 1 31 31 HIS C C 31 172.790 172.790 173.445 -0.655 19287 1914 1 7 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.656 -2.126 19287 1915 1 7 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.395 -0.355 19287 1916 1 7 . 1 1 31 31 HIS H H 31 9.010 9.010 9.684 -0.674 19287 1917 1 7 . 1 1 32 32 SER N N 32 117.600 117.600 120.712 -3.112 19287 1918 1 7 . 1 1 32 32 SER HA H 32 4.700 4.700 4.287 0.413 19287 1919 1 7 . 1 1 32 32 SER C C 32 174.930 174.930 173.662 1.268 19287 1920 1 7 . 1 1 32 32 SER CA C 32 57.980 57.980 58.679 -0.699 19287 1921 1 7 . 1 1 32 32 SER CB C 32 64.440 64.440 63.203 1.237 19287 1922 1 7 . 1 1 32 32 SER H H 32 8.740 8.740 8.190 0.550 19287 1923 1 7 . 1 1 33 33 PHE N N 33 120.690 120.690 119.845 0.845 19287 1924 1 7 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.009 -0.219 19287 1925 1 7 . 1 1 33 33 PHE C C 33 171.810 171.810 173.413 -1.603 19287 1926 1 7 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.774 0.426 19287 1927 1 7 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.559 -1.329 19287 1928 1 7 . 1 1 33 33 PHE H H 33 8.830 8.830 8.906 -0.076 19287 1929 1 7 . 1 1 34 34 THR N N 34 116.650 116.650 111.515 5.135 19287 1930 1 7 . 1 1 34 34 THR HA H 34 3.965 3.965 4.259 -0.294 19287 1931 1 7 . 1 1 34 34 THR C C 34 172.600 172.600 172.665 -0.065 19287 1932 1 7 . 1 1 34 34 THR CA C 34 61.980 61.980 60.902 1.078 19287 1933 1 7 . 1 1 34 34 THR CB C 34 68.530 68.530 69.447 -0.917 19287 1934 1 7 . 1 1 34 34 THR H H 34 8.400 8.400 8.167 0.233 19287 1935 1 7 . 1 1 35 35 TYR N N 35 127.790 127.790 126.813 0.977 19287 1936 1 7 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.678 -0.178 19287 1937 1 7 . 1 1 35 35 TYR C C 35 174.200 174.200 173.563 0.637 19287 1938 1 7 . 1 1 35 35 TYR CA C 35 55.130 55.130 55.998 -0.868 19287 1939 1 7 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.170 -2.520 19287 1940 1 7 . 1 1 35 35 TYR H H 35 8.010 8.010 8.483 -0.473 19287 1941 1 7 . 1 1 39 39 GLY N N 39 103.730 103.730 114.256 -10.526 19287 1942 1 7 . 1 1 39 39 GLY C C 39 175.700 175.700 173.905 1.795 19287 1943 1 7 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.800 0.570 19287 1944 1 7 . 1 1 39 39 GLY H H 39 8.500 8.500 8.404 0.096 19287 1945 1 7 . 1 1 40 40 GLY N N 40 110.170 110.170 112.478 -2.308 19287 1946 1 7 . 1 1 40 40 GLY C C 40 173.140 173.140 173.227 -0.087 19287 1947 1 7 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.981 -0.661 19287 1948 1 7 . 1 1 40 40 GLY H H 40 8.670 8.670 8.219 0.451 19287 1949 1 7 . 1 1 41 41 ASN N N 41 116.960 116.960 117.222 -0.262 19287 1950 1 7 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.967 -0.407 19287 1951 1 7 . 1 1 41 41 ASN C C 41 173.670 173.670 175.402 -1.732 19287 1952 1 7 . 1 1 41 41 ASN CA C 41 51.850 51.850 51.918 -0.068 19287 1953 1 7 . 1 1 41 41 ASN CB C 41 40.230 40.230 42.107 -1.877 19287 1954 1 7 . 1 1 41 41 ASN H H 41 8.790 8.790 8.723 0.067 19287 1955 1 7 . 1 1 42 42 ALA N N 42 113.290 113.290 121.778 -8.488 19287 1956 1 7 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.153 -0.433 19287 1957 1 7 . 1 1 42 42 ALA C C 42 177.220 177.220 177.974 -0.754 19287 1958 1 7 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.592 -1.782 19287 1959 1 7 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.850 -0.870 19287 1960 1 7 . 1 1 42 42 ALA H H 42 7.590 7.590 8.605 -1.015 19287 1961 1 7 . 1 1 43 43 ASN N N 43 117.710 117.710 114.046 3.664 19287 1962 1 7 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.610 0.090 19287 1963 1 7 . 1 1 43 43 ASN C C 43 173.660 173.660 174.124 -0.464 19287 1964 1 7 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.671 -3.041 19287 1965 1 7 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.833 -2.993 19287 1966 1 7 . 1 1 43 43 ASN H H 43 7.900 7.900 8.118 -0.218 19287 1967 1 7 . 1 1 44 44 ARG N N 44 120.690 120.690 120.232 0.458 19287 1968 1 7 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.440 0.252 19287 1969 1 7 . 1 1 44 44 ARG C C 44 173.530 173.530 174.089 -0.559 19287 1970 1 7 . 1 1 44 44 ARG CA C 44 56.660 56.660 55.408 1.252 19287 1971 1 7 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.291 1.159 19287 1972 1 7 . 1 1 44 44 ARG H H 44 6.860 6.860 6.935 -0.075 19287 1973 1 7 . 1 1 45 45 PHE N N 45 123.690 123.690 122.565 1.125 19287 1974 1 7 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.950 -0.140 19287 1975 1 7 . 1 1 45 45 PHE C C 45 175.420 175.420 175.580 -0.160 19287 1976 1 7 . 1 1 45 45 PHE CA C 45 55.670 55.670 55.945 -0.275 19287 1977 1 7 . 1 1 45 45 PHE CB C 45 43.790 43.790 41.551 2.239 19287 1978 1 7 . 1 1 45 45 PHE H H 45 9.340 9.340 8.182 1.158 19287 1979 1 7 . 1 1 46 46 ARG N N 46 120.920 120.920 117.258 3.662 19287 1980 1 7 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.579 -0.182 19287 1981 1 7 . 1 1 46 46 ARG C C 46 176.560 176.560 175.913 0.647 19287 1982 1 7 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.103 2.107 19287 1983 1 7 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.506 0.394 19287 1984 1 7 . 1 1 46 46 ARG H H 46 9.080 9.080 8.719 0.361 19287 1985 1 7 . 1 1 47 47 THR N N 47 102.800 102.800 112.038 -9.238 19287 1986 1 7 . 1 1 47 47 THR HA H 47 4.660 4.660 4.007 0.653 19287 1987 1 7 . 1 1 47 47 THR C C 47 174.110 174.110 173.436 0.674 19287 1988 1 7 . 1 1 47 47 THR CA C 47 58.170 58.170 59.822 -1.652 19287 1989 1 7 . 1 1 47 47 THR CB C 47 72.380 72.380 70.627 1.752 19287 1990 1 7 . 1 1 47 47 THR H H 47 7.230 7.230 7.389 -0.159 19287 1991 1 7 . 1 1 48 48 ILE N N 48 123.200 123.200 125.285 -2.085 19287 1992 1 7 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.800 -0.899 19287 1993 1 7 . 1 1 48 48 ILE C C 48 176.420 176.420 176.273 0.147 19287 1994 1 7 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.209 0.791 19287 1995 1 7 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.147 -1.087 19287 1996 1 7 . 1 1 48 48 ILE H H 48 8.110 8.110 7.937 0.173 19287 1997 1 7 . 1 1 49 49 ASP N N 49 119.560 119.560 119.034 0.526 19287 1998 1 7 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.306 -0.176 19287 1999 1 7 . 1 1 49 49 ASP C C 49 177.740 177.740 177.911 -0.171 19287 2000 1 7 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.310 -0.620 19287 2001 1 7 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.873 -0.903 19287 2002 1 7 . 1 1 49 49 ASP H H 49 7.700 7.700 7.740 -0.040 19287 2003 1 7 . 1 1 50 50 GLU N N 50 117.720 117.720 119.502 -1.782 19287 2004 1 7 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.204 -0.494 19287 2005 1 7 . 1 1 50 50 GLU C C 50 177.550 177.550 178.366 -0.816 19287 2006 1 7 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.801 -0.251 19287 2007 1 7 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.985 -0.794 19287 2008 1 7 . 1 1 50 50 GLU H H 50 7.410 7.410 7.617 -0.207 19287 2009 1 7 . 1 1 51 51 CYS N N 51 120.260 120.260 117.018 3.242 19287 2010 1 7 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.803 -2.153 19287 2011 1 7 . 1 1 51 51 CYS C C 51 175.070 175.070 176.631 -1.561 19287 2012 1 7 . 1 1 51 51 CYS CA C 51 59.120 59.120 60.409 -1.289 19287 2013 1 7 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.348 16.652 19287 2014 1 7 . 1 1 51 51 CYS H H 51 6.760 6.760 7.814 -1.054 19287 2015 1 7 . 1 1 52 52 ASN N N 52 120.160 120.160 120.775 -0.615 19287 2016 1 7 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.476 -0.386 19287 2017 1 7 . 1 1 52 52 ASN C C 52 177.820 177.820 177.700 0.120 19287 2018 1 7 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.848 -0.788 19287 2019 1 7 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.390 -0.890 19287 2020 1 7 . 1 1 52 52 ASN H H 52 8.650 8.650 8.523 0.127 19287 2021 1 7 . 1 1 53 53 ARG N N 53 117.000 117.000 118.156 -1.156 19287 2022 1 7 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.066 -0.296 19287 2023 1 7 . 1 1 53 53 ARG C C 53 177.360 177.360 177.481 -0.121 19287 2024 1 7 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.637 -0.147 19287 2025 1 7 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.197 0.983 19287 2026 1 7 . 1 1 53 53 ARG H H 53 7.900 7.900 7.558 0.342 19287 2027 1 7 . 1 1 54 54 THR N N 54 112.080 112.080 112.018 0.062 19287 2028 1 7 . 1 1 54 54 THR HA H 54 3.838 3.838 4.456 -0.618 19287 2029 1 7 . 1 1 54 54 THR C C 54 174.990 174.990 174.424 0.566 19287 2030 1 7 . 1 1 54 54 THR CA C 54 65.740 65.740 63.267 2.473 19287 2031 1 7 . 1 1 54 54 THR CB C 54 68.870 68.870 70.082 -1.212 19287 2032 1 7 . 1 1 54 54 THR H H 54 7.260 7.260 7.586 -0.326 19287 2033 1 7 . 1 1 55 55 CYS N N 55 112.540 112.540 117.181 -4.641 19287 2034 1 7 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.431 -0.031 19287 2035 1 7 . 1 1 55 55 CYS C C 55 172.940 172.940 174.136 -1.196 19287 2036 1 7 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.678 -4.447 19287 2037 1 7 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.513 13.417 19287 2038 1 7 . 1 1 55 55 CYS H H 55 7.590 7.590 7.420 0.170 19287 2039 1 7 . 1 1 56 56 VAL N N 56 119.720 119.720 123.512 -3.792 19287 2040 1 7 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.014 -0.383 19287 2041 1 7 . 1 1 56 56 VAL C C 56 176.710 176.710 176.336 0.374 19287 2042 1 7 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.783 0.756 19287 2043 1 7 . 1 1 56 56 VAL CB C 56 30.970 30.970 32.040 -1.070 19287 2044 1 7 . 1 1 56 56 VAL H H 56 7.280 7.280 7.618 -0.338 19287 2045 1 8 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.330 -0.313 19287 2046 1 8 . 1 1 2 2 PRO C C 2 177.920 177.920 177.935 -0.015 19287 2047 1 8 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.289 0.511 19287 2048 1 8 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.355 -0.305 19287 2049 1 8 . 1 1 3 3 ARG N N 3 122.340 122.340 122.546 -0.206 19287 2050 1 8 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.122 -0.336 19287 2051 1 8 . 1 1 3 3 ARG C C 3 178.950 178.950 176.132 2.818 19287 2052 1 8 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.991 0.419 19287 2053 1 8 . 1 1 3 3 ARG CB C 3 29.220 29.220 28.896 0.324 19287 2054 1 8 . 1 1 3 3 ARG H H 3 8.550 8.550 8.781 -0.231 19287 2055 1 8 . 1 1 4 4 PHE N N 4 113.010 113.010 115.512 -2.502 19287 2056 1 8 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.654 -0.354 19287 2057 1 8 . 1 1 4 4 PHE C C 4 176.070 176.070 176.337 -0.267 19287 2058 1 8 . 1 1 4 4 PHE CA C 4 58.220 58.220 57.026 1.194 19287 2059 1 8 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.117 -0.807 19287 2060 1 8 . 1 1 4 4 PHE H H 4 7.150 7.150 7.371 -0.221 19287 2061 1 8 . 1 1 5 5 CYS N N 5 118.600 118.600 118.880 -0.280 19287 2062 1 8 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.192 -0.062 19287 2063 1 8 . 1 1 5 5 CYS C C 5 173.450 173.450 174.680 -1.230 19287 2064 1 8 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.064 -2.104 19287 2065 1 8 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.852 13.358 19287 2066 1 8 . 1 1 5 5 CYS H H 5 7.090 7.090 7.314 -0.224 19287 2067 1 8 . 1 1 6 6 GLU N N 6 110.710 110.710 118.213 -7.503 19287 2068 1 8 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.345 -0.163 19287 2069 1 8 . 1 1 6 6 GLU C C 6 176.310 176.310 176.215 0.095 19287 2070 1 8 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.612 -0.103 19287 2071 1 8 . 1 1 6 6 GLU CB C 6 28.160 28.160 28.852 -0.692 19287 2072 1 8 . 1 1 6 6 GLU H H 6 7.300 7.300 7.982 -0.682 19287 2073 1 8 . 1 1 7 7 LEU N N 7 119.090 119.090 121.111 -2.021 19287 2074 1 8 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.370 -0.210 19287 2075 1 8 . 1 1 7 7 LEU C C 7 176.630 176.630 176.141 0.489 19287 2076 1 8 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.026 0.484 19287 2077 1 8 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.557 -0.227 19287 2078 1 8 . 1 1 7 7 LEU H H 7 7.210 7.210 7.337 -0.127 19287 2079 1 8 . 1 1 8 8 ALA N N 8 124.490 124.490 122.433 2.057 19287 2080 1 8 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.663 -0.413 19287 2081 1 8 . 1 1 8 8 ALA C C 8 174.710 174.710 175.559 -0.849 19287 2082 1 8 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.789 1.421 19287 2083 1 8 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.527 -2.597 19287 2084 1 8 . 1 1 8 8 ALA H H 8 8.280 8.280 8.272 0.008 19287 2085 1 8 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.664 -0.484 19287 2086 1 8 . 1 1 9 9 PRO C C 9 176.700 176.700 176.479 0.221 19287 2087 1 8 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.902 -1.412 19287 2088 1 8 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.036 -1.676 19287 2089 1 8 . 1 1 10 10 SER N N 10 112.100 112.100 122.644 -10.544 19287 2090 1 8 . 1 1 10 10 SER HA H 10 4.630 4.630 4.441 0.189 19287 2091 1 8 . 1 1 10 10 SER C C 10 174.190 174.190 175.132 -0.942 19287 2092 1 8 . 1 1 10 10 SER CA C 10 55.360 55.360 56.171 -0.811 19287 2093 1 8 . 1 1 10 10 SER CB C 10 64.550 64.550 61.976 2.574 19287 2094 1 8 . 1 1 10 10 SER H H 10 7.450 7.450 8.627 -1.177 19287 2095 1 8 . 1 1 11 11 ALA N N 11 129.980 129.980 125.421 4.559 19287 2096 1 8 . 1 1 11 11 ALA HA H 11 4.496 4.496 3.943 0.553 19287 2097 1 8 . 1 1 11 11 ALA C C 11 178.510 178.510 179.037 -0.527 19287 2098 1 8 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.652 0.158 19287 2099 1 8 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.658 1.252 19287 2100 1 8 . 1 1 11 11 ALA H H 11 9.210 9.210 8.155 1.055 19287 2101 1 8 . 1 1 12 12 GLY N N 12 104.410 104.410 106.189 -1.779 19287 2102 1 8 . 1 1 12 12 GLY C C 12 174.850 174.850 175.773 -0.923 19287 2103 1 8 . 1 1 12 12 GLY CA C 12 44.450 44.450 46.333 -1.883 19287 2104 1 8 . 1 1 12 12 GLY H H 12 8.190 8.190 8.763 -0.573 19287 2105 1 8 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.621 -0.371 19287 2106 1 8 . 1 1 14 14 CYS C C 14 172.410 172.410 173.457 -1.047 19287 2107 1 8 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.276 1.474 19287 2108 1 8 . 1 1 14 14 CYS CB C 14 39.130 39.130 31.032 8.098 19287 2109 1 8 . 1 1 15 15 PHE N N 15 116.000 116.000 123.663 -7.663 19287 2110 1 8 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.651 -0.271 19287 2111 1 8 . 1 1 15 15 PHE C C 15 174.300 174.300 173.587 0.713 19287 2112 1 8 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.750 -0.920 19287 2113 1 8 . 1 1 15 15 PHE CB C 15 39.440 39.440 40.133 -0.693 19287 2114 1 8 . 1 1 15 15 PHE H H 15 7.960 7.960 8.783 -0.823 19287 2115 1 8 . 1 1 16 16 ALA N N 16 125.630 125.630 129.539 -3.909 19287 2116 1 8 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.372 -0.052 19287 2117 1 8 . 1 1 16 16 ALA C C 16 174.300 174.300 174.710 -0.410 19287 2118 1 8 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.456 -1.326 19287 2119 1 8 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.702 -2.522 19287 2120 1 8 . 1 1 16 16 ALA H H 16 7.800 7.800 7.782 0.018 19287 2121 1 8 . 1 1 17 17 PHE N N 17 116.330 116.330 122.563 -6.233 19287 2122 1 8 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.901 -0.511 19287 2123 1 8 . 1 1 17 17 PHE C C 17 175.310 175.310 173.895 1.415 19287 2124 1 8 . 1 1 17 17 PHE CA C 17 57.160 57.160 56.038 1.122 19287 2125 1 8 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.531 -1.151 19287 2126 1 8 . 1 1 17 17 PHE H H 17 7.330 7.330 8.398 -1.068 19287 2127 1 8 . 1 1 18 18 VAL N N 18 122.890 122.890 124.734 -1.844 19287 2128 1 8 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.349 0.126 19287 2129 1 8 . 1 1 18 18 VAL C C 18 173.590 173.590 173.412 0.178 19287 2130 1 8 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.385 0.515 19287 2131 1 8 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.620 0.281 19287 2132 1 8 . 1 1 18 18 VAL H H 18 8.680 8.680 8.456 0.224 19287 2133 1 8 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.565 -0.290 19287 2134 1 8 . 1 1 19 19 PRO C C 19 176.940 176.940 176.404 0.536 19287 2135 1 8 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.641 1.419 19287 2136 1 8 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.061 0.649 19287 2137 1 8 . 1 1 20 20 SER N N 20 120.230 120.230 119.244 0.986 19287 2138 1 8 . 1 1 20 20 SER HA H 20 4.780 4.780 4.588 0.192 19287 2139 1 8 . 1 1 20 20 SER C C 20 170.900 170.900 172.995 -2.095 19287 2140 1 8 . 1 1 20 20 SER CA C 20 57.450 57.450 57.147 0.304 19287 2141 1 8 . 1 1 20 20 SER CB C 20 67.910 67.910 66.127 1.783 19287 2142 1 8 . 1 1 20 20 SER H H 20 8.390 8.390 7.815 0.575 19287 2143 1 8 . 1 1 21 21 TYR N N 21 118.220 118.220 118.690 -0.470 19287 2144 1 8 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.036 0.564 19287 2145 1 8 . 1 1 21 21 TYR C C 21 173.770 173.770 175.228 -1.458 19287 2146 1 8 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.286 -0.546 19287 2147 1 8 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.865 0.795 19287 2148 1 8 . 1 1 21 21 TYR H H 21 9.020 9.020 8.560 0.460 19287 2149 1 8 . 1 1 22 22 TYR N N 22 119.260 119.260 123.766 -4.506 19287 2150 1 8 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.945 0.165 19287 2151 1 8 . 1 1 22 22 TYR C C 22 172.610 172.610 173.778 -1.168 19287 2152 1 8 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.525 -1.145 19287 2153 1 8 . 1 1 22 22 TYR CB C 22 41.550 41.550 43.002 -1.452 19287 2154 1 8 . 1 1 22 22 TYR H H 22 9.410 9.410 9.531 -0.121 19287 2155 1 8 . 1 1 23 23 TYR N N 23 123.200 123.200 124.434 -1.234 19287 2156 1 8 . 1 1 23 23 TYR HA H 23 4.382 4.382 5.076 -0.694 19287 2157 1 8 . 1 1 23 23 TYR C C 23 173.250 173.250 173.717 -0.467 19287 2158 1 8 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.996 1.364 19287 2159 1 8 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.119 -1.549 19287 2160 1 8 . 1 1 23 23 TYR H H 23 10.190 10.190 8.541 1.649 19287 2161 1 8 . 1 1 24 24 ASN N N 24 126.280 126.280 127.300 -1.020 19287 2162 1 8 . 1 1 24 24 ASN HA H 24 4.550 4.550 5.043 -0.493 19287 2163 1 8 . 1 1 24 24 ASN C C 24 174.000 174.000 175.501 -1.501 19287 2164 1 8 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.926 -0.566 19287 2165 1 8 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.284 0.756 19287 2166 1 8 . 1 1 24 24 ASN H H 24 7.890 7.890 8.923 -1.033 19287 2167 1 8 . 1 1 25 25 GLN N N 25 122.760 122.760 124.369 -1.609 19287 2168 1 8 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.648 0.043 19287 2169 1 8 . 1 1 25 25 GLN C C 25 175.670 175.670 175.914 -0.244 19287 2170 1 8 . 1 1 25 25 GLN CA C 25 57.480 57.480 57.974 -0.494 19287 2171 1 8 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.654 0.466 19287 2172 1 8 . 1 1 25 25 GLN H H 25 8.440 8.440 8.497 -0.057 19287 2173 1 8 . 1 1 26 26 TYR N N 26 119.190 119.190 118.333 0.857 19287 2174 1 8 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.312 -0.152 19287 2175 1 8 . 1 1 26 26 TYR C C 26 176.520 176.520 177.458 -0.938 19287 2176 1 8 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.755 0.415 19287 2177 1 8 . 1 1 26 26 TYR CB C 26 36.880 36.880 38.124 -1.244 19287 2178 1 8 . 1 1 26 26 TYR H H 26 7.810 7.810 7.934 -0.124 19287 2179 1 8 . 1 1 27 27 SER N N 27 109.600 109.600 112.157 -2.557 19287 2180 1 8 . 1 1 27 27 SER HA H 27 4.330 4.330 4.469 -0.139 19287 2181 1 8 . 1 1 27 27 SER C C 27 174.830 174.830 174.027 0.803 19287 2182 1 8 . 1 1 27 27 SER CA C 27 57.490 57.490 57.654 -0.164 19287 2183 1 8 . 1 1 27 27 SER CB C 27 64.640 64.640 64.046 0.594 19287 2184 1 8 . 1 1 27 27 SER H H 27 7.350 7.350 7.697 -0.347 19287 2185 1 8 . 1 1 28 28 ASN N N 28 119.830 119.830 118.915 0.915 19287 2186 1 8 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.355 -0.295 19287 2187 1 8 . 1 1 28 28 ASN C C 28 173.040 173.040 174.071 -1.031 19287 2188 1 8 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.432 -0.602 19287 2189 1 8 . 1 1 28 28 ASN CB C 28 37.400 37.400 37.830 -0.430 19287 2190 1 8 . 1 1 28 28 ASN H H 28 7.930 7.930 7.700 0.230 19287 2191 1 8 . 1 1 29 29 THR N N 29 103.070 103.070 111.124 -8.054 19287 2192 1 8 . 1 1 29 29 THR HA H 29 4.441 4.441 4.695 -0.254 19287 2193 1 8 . 1 1 29 29 THR C C 29 172.980 172.980 172.168 0.812 19287 2194 1 8 . 1 1 29 29 THR CA C 29 58.920 58.920 61.032 -2.112 19287 2195 1 8 . 1 1 29 29 THR CB C 29 73.260 73.260 71.304 1.956 19287 2196 1 8 . 1 1 29 29 THR H H 29 6.990 6.990 7.622 -0.632 19287 2197 1 8 . 1 1 30 30 CYS N N 30 118.340 118.340 120.024 -1.684 19287 2198 1 8 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.471 -0.009 19287 2199 1 8 . 1 1 30 30 CYS C C 30 173.320 173.320 173.794 -0.474 19287 2200 1 8 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.807 -0.057 19287 2201 1 8 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.926 18.754 19287 2202 1 8 . 1 1 30 30 CYS H H 30 8.954 8.954 8.693 0.261 19287 2203 1 8 . 1 1 31 31 HIS N N 31 118.930 118.930 120.327 -1.397 19287 2204 1 8 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.122 -0.342 19287 2205 1 8 . 1 1 31 31 HIS C C 31 172.790 172.790 173.734 -0.944 19287 2206 1 8 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.614 -2.084 19287 2207 1 8 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.238 -0.198 19287 2208 1 8 . 1 1 31 31 HIS H H 31 9.010 9.010 9.374 -0.364 19287 2209 1 8 . 1 1 32 32 SER N N 32 117.600 117.600 120.152 -2.552 19287 2210 1 8 . 1 1 32 32 SER HA H 32 4.700 4.700 4.149 0.551 19287 2211 1 8 . 1 1 32 32 SER C C 32 174.930 174.930 173.644 1.286 19287 2212 1 8 . 1 1 32 32 SER CA C 32 57.980 57.980 58.508 -0.528 19287 2213 1 8 . 1 1 32 32 SER CB C 32 64.440 64.440 63.417 1.023 19287 2214 1 8 . 1 1 32 32 SER H H 32 8.740 8.740 8.246 0.494 19287 2215 1 8 . 1 1 33 33 PHE N N 33 120.690 120.690 119.714 0.976 19287 2216 1 8 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.974 -0.184 19287 2217 1 8 . 1 1 33 33 PHE C C 33 171.810 171.810 173.652 -1.842 19287 2218 1 8 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.714 0.486 19287 2219 1 8 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.185 -0.955 19287 2220 1 8 . 1 1 33 33 PHE H H 33 8.830 8.830 8.793 0.037 19287 2221 1 8 . 1 1 34 34 THR N N 34 116.650 116.650 112.714 3.936 19287 2222 1 8 . 1 1 34 34 THR HA H 34 3.965 3.965 4.454 -0.489 19287 2223 1 8 . 1 1 34 34 THR C C 34 172.600 172.600 172.785 -0.185 19287 2224 1 8 . 1 1 34 34 THR CA C 34 61.980 61.980 61.238 0.742 19287 2225 1 8 . 1 1 34 34 THR CB C 34 68.530 68.530 69.376 -0.846 19287 2226 1 8 . 1 1 34 34 THR H H 34 8.400 8.400 8.424 -0.024 19287 2227 1 8 . 1 1 35 35 TYR N N 35 127.790 127.790 125.835 1.955 19287 2228 1 8 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.739 -0.239 19287 2229 1 8 . 1 1 35 35 TYR C C 35 174.200 174.200 173.604 0.596 19287 2230 1 8 . 1 1 35 35 TYR CA C 35 55.130 55.130 57.163 -2.034 19287 2231 1 8 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.472 -1.822 19287 2232 1 8 . 1 1 35 35 TYR H H 35 8.010 8.010 7.979 0.031 19287 2233 1 8 . 1 1 39 39 GLY N N 39 103.730 103.730 109.354 -5.624 19287 2234 1 8 . 1 1 39 39 GLY C C 39 175.700 175.700 173.864 1.836 19287 2235 1 8 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.516 0.854 19287 2236 1 8 . 1 1 39 39 GLY H H 39 8.500 8.500 8.226 0.274 19287 2237 1 8 . 1 1 40 40 GLY N N 40 110.170 110.170 111.206 -1.036 19287 2238 1 8 . 1 1 40 40 GLY C C 40 173.140 173.140 173.204 -0.064 19287 2239 1 8 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.882 -0.562 19287 2240 1 8 . 1 1 40 40 GLY H H 40 8.670 8.670 8.376 0.294 19287 2241 1 8 . 1 1 41 41 ASN N N 41 116.960 116.960 117.701 -0.741 19287 2242 1 8 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.992 -0.432 19287 2243 1 8 . 1 1 41 41 ASN C C 41 173.670 173.670 175.991 -2.321 19287 2244 1 8 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.458 -0.608 19287 2245 1 8 . 1 1 41 41 ASN CB C 41 40.230 40.230 41.389 -1.159 19287 2246 1 8 . 1 1 41 41 ASN H H 41 8.790 8.790 8.738 0.052 19287 2247 1 8 . 1 1 42 42 ALA N N 42 113.290 113.290 122.933 -9.643 19287 2248 1 8 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.152 -0.432 19287 2249 1 8 . 1 1 42 42 ALA C C 42 177.220 177.220 178.352 -1.132 19287 2250 1 8 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.761 -1.950 19287 2251 1 8 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.521 -0.541 19287 2252 1 8 . 1 1 42 42 ALA H H 42 7.590 7.590 8.706 -1.116 19287 2253 1 8 . 1 1 43 43 ASN N N 43 117.710 117.710 116.041 1.669 19287 2254 1 8 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.675 0.025 19287 2255 1 8 . 1 1 43 43 ASN C C 43 173.660 173.660 175.499 -1.839 19287 2256 1 8 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.542 -3.912 19287 2257 1 8 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.000 -3.160 19287 2258 1 8 . 1 1 43 43 ASN H H 43 7.900 7.900 8.190 -0.290 19287 2259 1 8 . 1 1 44 44 ARG N N 44 120.690 120.690 121.346 -0.656 19287 2260 1 8 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.304 0.388 19287 2261 1 8 . 1 1 44 44 ARG C C 44 173.530 173.530 175.032 -1.502 19287 2262 1 8 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.145 -0.485 19287 2263 1 8 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.741 1.709 19287 2264 1 8 . 1 1 44 44 ARG H H 44 6.860 6.860 7.703 -0.843 19287 2265 1 8 . 1 1 45 45 PHE N N 45 123.690 123.690 124.107 -0.417 19287 2266 1 8 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.880 -0.070 19287 2267 1 8 . 1 1 45 45 PHE C C 45 175.420 175.420 175.412 0.008 19287 2268 1 8 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.596 -0.926 19287 2269 1 8 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.408 0.382 19287 2270 1 8 . 1 1 45 45 PHE H H 45 9.340 9.340 8.449 0.891 19287 2271 1 8 . 1 1 46 46 ARG N N 46 120.920 120.920 118.352 2.568 19287 2272 1 8 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.447 -0.050 19287 2273 1 8 . 1 1 46 46 ARG C C 46 176.560 176.560 176.233 0.327 19287 2274 1 8 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.864 2.346 19287 2275 1 8 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.505 0.396 19287 2276 1 8 . 1 1 46 46 ARG H H 46 9.080 9.080 8.624 0.456 19287 2277 1 8 . 1 1 47 47 THR N N 47 102.800 102.800 111.927 -9.127 19287 2278 1 8 . 1 1 47 47 THR HA H 47 4.660 4.660 4.335 0.325 19287 2279 1 8 . 1 1 47 47 THR C C 47 174.110 174.110 173.589 0.521 19287 2280 1 8 . 1 1 47 47 THR CA C 47 58.170 58.170 59.968 -1.798 19287 2281 1 8 . 1 1 47 47 THR CB C 47 72.380 72.380 70.627 1.753 19287 2282 1 8 . 1 1 47 47 THR H H 47 7.230 7.230 7.482 -0.252 19287 2283 1 8 . 1 1 48 48 ILE N N 48 123.200 123.200 124.723 -1.523 19287 2284 1 8 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.574 -0.673 19287 2285 1 8 . 1 1 48 48 ILE C C 48 176.420 176.420 176.059 0.361 19287 2286 1 8 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.534 0.466 19287 2287 1 8 . 1 1 48 48 ILE CB C 48 37.060 37.060 37.955 -0.895 19287 2288 1 8 . 1 1 48 48 ILE H H 48 8.110 8.110 7.901 0.209 19287 2289 1 8 . 1 1 49 49 ASP N N 49 119.560 119.560 119.861 -0.301 19287 2290 1 8 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.293 -0.163 19287 2291 1 8 . 1 1 49 49 ASP C C 49 177.740 177.740 178.261 -0.521 19287 2292 1 8 . 1 1 49 49 ASP CA C 49 56.690 56.690 58.364 -1.673 19287 2293 1 8 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.708 -0.738 19287 2294 1 8 . 1 1 49 49 ASP H H 49 7.700 7.700 7.729 -0.029 19287 2295 1 8 . 1 1 50 50 GLU N N 50 117.720 117.720 119.509 -1.789 19287 2296 1 8 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.318 -0.608 19287 2297 1 8 . 1 1 50 50 GLU C C 50 177.550 177.550 178.725 -1.175 19287 2298 1 8 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.798 -0.248 19287 2299 1 8 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.899 -0.709 19287 2300 1 8 . 1 1 50 50 GLU H H 50 7.410 7.410 7.602 -0.192 19287 2301 1 8 . 1 1 51 51 CYS N N 51 120.260 120.260 120.108 0.152 19287 2302 1 8 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.588 -1.938 19287 2303 1 8 . 1 1 51 51 CYS C C 51 175.070 175.070 176.407 -1.337 19287 2304 1 8 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.742 -2.622 19287 2305 1 8 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.397 16.603 19287 2306 1 8 . 1 1 51 51 CYS H H 51 6.760 6.760 8.238 -1.478 19287 2307 1 8 . 1 1 52 52 ASN N N 52 120.160 120.160 119.259 0.901 19287 2308 1 8 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.468 -0.378 19287 2309 1 8 . 1 1 52 52 ASN C C 52 177.820 177.820 177.637 0.183 19287 2310 1 8 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.142 -1.082 19287 2311 1 8 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.195 -0.695 19287 2312 1 8 . 1 1 52 52 ASN H H 52 8.650 8.650 8.644 0.006 19287 2313 1 8 . 1 1 53 53 ARG N N 53 117.000 117.000 118.546 -1.546 19287 2314 1 8 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.071 -0.301 19287 2315 1 8 . 1 1 53 53 ARG C C 53 177.360 177.360 177.682 -0.322 19287 2316 1 8 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.711 -0.221 19287 2317 1 8 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.349 0.832 19287 2318 1 8 . 1 1 53 53 ARG H H 53 7.900 7.900 7.570 0.330 19287 2319 1 8 . 1 1 54 54 THR N N 54 112.080 112.080 112.294 -0.214 19287 2320 1 8 . 1 1 54 54 THR HA H 54 3.838 3.838 4.486 -0.648 19287 2321 1 8 . 1 1 54 54 THR C C 54 174.990 174.990 174.517 0.473 19287 2322 1 8 . 1 1 54 54 THR CA C 54 65.740 65.740 63.801 1.938 19287 2323 1 8 . 1 1 54 54 THR CB C 54 68.870 68.870 70.156 -1.286 19287 2324 1 8 . 1 1 54 54 THR H H 54 7.260 7.260 7.836 -0.576 19287 2325 1 8 . 1 1 55 55 CYS N N 55 112.540 112.540 117.320 -4.780 19287 2326 1 8 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.455 -0.055 19287 2327 1 8 . 1 1 55 55 CYS C C 55 172.940 172.940 174.008 -1.068 19287 2328 1 8 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.602 -4.372 19287 2329 1 8 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.413 13.517 19287 2330 1 8 . 1 1 55 55 CYS H H 55 7.590 7.590 7.537 0.053 19287 2331 1 8 . 1 1 56 56 VAL N N 56 119.720 119.720 123.710 -3.990 19287 2332 1 8 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.484 -0.853 19287 2333 1 8 . 1 1 56 56 VAL C C 56 176.710 176.710 176.422 0.288 19287 2334 1 8 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.754 1.786 19287 2335 1 8 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.846 0.124 19287 2336 1 8 . 1 1 56 56 VAL H H 56 7.280 7.280 7.863 -0.583 19287 2337 1 9 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.461 -0.444 19287 2338 1 9 . 1 1 2 2 PRO C C 2 177.920 177.920 177.616 0.304 19287 2339 1 9 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.430 0.370 19287 2340 1 9 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.612 -0.562 19287 2341 1 9 . 1 1 3 3 ARG N N 3 122.340 122.340 123.841 -1.501 19287 2342 1 9 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.121 -0.335 19287 2343 1 9 . 1 1 3 3 ARG C C 3 178.950 178.950 178.400 0.550 19287 2344 1 9 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.141 0.269 19287 2345 1 9 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.392 -0.172 19287 2346 1 9 . 1 1 3 3 ARG H H 3 8.550 8.550 8.769 -0.219 19287 2347 1 9 . 1 1 4 4 PHE N N 4 113.010 113.010 117.076 -4.066 19287 2348 1 9 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.461 -0.161 19287 2349 1 9 . 1 1 4 4 PHE C C 4 176.070 176.070 176.675 -0.605 19287 2350 1 9 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.559 -0.339 19287 2351 1 9 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.840 -0.530 19287 2352 1 9 . 1 1 4 4 PHE H H 4 7.150 7.150 7.841 -0.691 19287 2353 1 9 . 1 1 5 5 CYS N N 5 118.600 118.600 118.075 0.525 19287 2354 1 9 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.175 -0.045 19287 2355 1 9 . 1 1 5 5 CYS C C 5 173.450 173.450 175.027 -1.577 19287 2356 1 9 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.690 -2.730 19287 2357 1 9 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.667 13.543 19287 2358 1 9 . 1 1 5 5 CYS H H 5 7.090 7.090 7.488 -0.398 19287 2359 1 9 . 1 1 6 6 GLU N N 6 110.710 110.710 118.724 -8.014 19287 2360 1 9 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.396 -0.214 19287 2361 1 9 . 1 1 6 6 GLU C C 6 176.310 176.310 176.376 -0.066 19287 2362 1 9 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.860 -0.350 19287 2363 1 9 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.246 -1.086 19287 2364 1 9 . 1 1 6 6 GLU H H 6 7.300 7.300 7.627 -0.327 19287 2365 1 9 . 1 1 7 7 LEU N N 7 119.090 119.090 121.233 -2.143 19287 2366 1 9 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.302 -0.142 19287 2367 1 9 . 1 1 7 7 LEU C C 7 176.630 176.630 176.271 0.359 19287 2368 1 9 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.181 0.329 19287 2369 1 9 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.385 -0.055 19287 2370 1 9 . 1 1 7 7 LEU H H 7 7.210 7.210 7.339 -0.129 19287 2371 1 9 . 1 1 8 8 ALA N N 8 124.490 124.490 122.229 2.261 19287 2372 1 9 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.706 -0.456 19287 2373 1 9 . 1 1 8 8 ALA C C 8 174.710 174.710 176.240 -1.530 19287 2374 1 9 . 1 1 8 8 ALA CA C 8 50.210 50.210 49.063 1.147 19287 2375 1 9 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.466 -2.536 19287 2376 1 9 . 1 1 8 8 ALA H H 8 8.280 8.280 8.304 -0.024 19287 2377 1 9 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.794 -0.614 19287 2378 1 9 . 1 1 9 9 PRO C C 9 176.700 176.700 176.087 0.613 19287 2379 1 9 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.759 -1.269 19287 2380 1 9 . 1 1 9 9 PRO CB C 9 30.360 30.360 30.498 -0.138 19287 2381 1 9 . 1 1 10 10 SER N N 10 112.100 112.100 117.939 -5.839 19287 2382 1 9 . 1 1 10 10 SER HA H 10 4.630 4.630 4.372 0.258 19287 2383 1 9 . 1 1 10 10 SER C C 10 174.190 174.190 175.447 -1.257 19287 2384 1 9 . 1 1 10 10 SER CA C 10 55.360 55.360 57.583 -2.223 19287 2385 1 9 . 1 1 10 10 SER CB C 10 64.550 64.550 63.095 1.455 19287 2386 1 9 . 1 1 10 10 SER H H 10 7.450 7.450 8.132 -0.682 19287 2387 1 9 . 1 1 11 11 ALA N N 11 129.980 129.980 130.414 -0.434 19287 2388 1 9 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.022 0.474 19287 2389 1 9 . 1 1 11 11 ALA C C 11 178.510 178.510 178.083 0.427 19287 2390 1 9 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.784 1.026 19287 2391 1 9 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.845 1.065 19287 2392 1 9 . 1 1 11 11 ALA H H 11 9.210 9.210 8.252 0.958 19287 2393 1 9 . 1 1 12 12 GLY N N 12 104.410 104.410 103.652 0.758 19287 2394 1 9 . 1 1 12 12 GLY C C 12 174.850 174.850 175.631 -0.781 19287 2395 1 9 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.099 -0.649 19287 2396 1 9 . 1 1 12 12 GLY H H 12 8.190 8.190 8.300 -0.110 19287 2397 1 9 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.652 -0.402 19287 2398 1 9 . 1 1 14 14 CYS C C 14 172.410 172.410 173.106 -0.696 19287 2399 1 9 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.133 1.617 19287 2400 1 9 . 1 1 14 14 CYS CB C 14 39.130 39.130 29.058 10.072 19287 2401 1 9 . 1 1 15 15 PHE N N 15 116.000 116.000 127.819 -11.819 19287 2402 1 9 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.815 -0.435 19287 2403 1 9 . 1 1 15 15 PHE C C 15 174.300 174.300 174.247 0.053 19287 2404 1 9 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.511 -1.681 19287 2405 1 9 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.278 0.162 19287 2406 1 9 . 1 1 15 15 PHE H H 15 7.960 7.960 8.792 -0.832 19287 2407 1 9 . 1 1 16 16 ALA N N 16 125.630 125.630 130.605 -4.975 19287 2408 1 9 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.470 -0.150 19287 2409 1 9 . 1 1 16 16 ALA C C 16 174.300 174.300 175.257 -0.957 19287 2410 1 9 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.755 -1.625 19287 2411 1 9 . 1 1 16 16 ALA CB C 16 19.180 19.180 22.300 -3.120 19287 2412 1 9 . 1 1 16 16 ALA H H 16 7.800 7.800 7.768 0.032 19287 2413 1 9 . 1 1 17 17 PHE N N 17 116.330 116.330 122.081 -5.751 19287 2414 1 9 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.774 -0.384 19287 2415 1 9 . 1 1 17 17 PHE C C 17 175.310 175.310 173.743 1.567 19287 2416 1 9 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.516 1.645 19287 2417 1 9 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.124 -0.744 19287 2418 1 9 . 1 1 17 17 PHE H H 17 7.330 7.330 8.216 -0.886 19287 2419 1 9 . 1 1 18 18 VAL N N 18 122.890 122.890 124.519 -1.629 19287 2420 1 9 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.463 0.012 19287 2421 1 9 . 1 1 18 18 VAL C C 18 173.590 173.590 173.305 0.285 19287 2422 1 9 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.063 0.837 19287 2423 1 9 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.743 -0.843 19287 2424 1 9 . 1 1 18 18 VAL H H 18 8.680 8.680 8.746 -0.066 19287 2425 1 9 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.666 -0.391 19287 2426 1 9 . 1 1 19 19 PRO C C 19 176.940 176.940 176.292 0.648 19287 2427 1 9 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.586 1.474 19287 2428 1 9 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.352 0.358 19287 2429 1 9 . 1 1 20 20 SER N N 20 120.230 120.230 118.181 2.049 19287 2430 1 9 . 1 1 20 20 SER HA H 20 4.780 4.780 4.712 0.068 19287 2431 1 9 . 1 1 20 20 SER C C 20 170.900 170.900 172.853 -1.953 19287 2432 1 9 . 1 1 20 20 SER CA C 20 57.450 57.450 56.184 1.266 19287 2433 1 9 . 1 1 20 20 SER CB C 20 67.910 67.910 66.019 1.891 19287 2434 1 9 . 1 1 20 20 SER H H 20 8.390 8.390 8.473 -0.083 19287 2435 1 9 . 1 1 21 21 TYR N N 21 118.220 118.220 119.645 -1.425 19287 2436 1 9 . 1 1 21 21 TYR HA H 21 5.600 5.600 4.880 0.720 19287 2437 1 9 . 1 1 21 21 TYR C C 21 173.770 173.770 174.657 -0.887 19287 2438 1 9 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.995 -0.255 19287 2439 1 9 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.796 0.864 19287 2440 1 9 . 1 1 21 21 TYR H H 21 9.020 9.020 8.263 0.757 19287 2441 1 9 . 1 1 22 22 TYR N N 22 119.260 119.260 125.255 -5.995 19287 2442 1 9 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.616 0.494 19287 2443 1 9 . 1 1 22 22 TYR C C 22 172.610 172.610 173.935 -1.325 19287 2444 1 9 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.285 -0.905 19287 2445 1 9 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.710 -0.160 19287 2446 1 9 . 1 1 22 22 TYR H H 22 9.410 9.410 9.621 -0.211 19287 2447 1 9 . 1 1 23 23 TYR N N 23 123.200 123.200 129.124 -5.924 19287 2448 1 9 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.691 -0.309 19287 2449 1 9 . 1 1 23 23 TYR C C 23 173.250 173.250 174.495 -1.245 19287 2450 1 9 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.938 0.422 19287 2451 1 9 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.646 -0.076 19287 2452 1 9 . 1 1 23 23 TYR H H 23 10.190 10.190 9.021 1.169 19287 2453 1 9 . 1 1 24 24 ASN N N 24 126.280 126.280 127.559 -1.279 19287 2454 1 9 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.894 -0.344 19287 2455 1 9 . 1 1 24 24 ASN C C 24 174.000 174.000 175.303 -1.303 19287 2456 1 9 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.964 -0.604 19287 2457 1 9 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.143 0.897 19287 2458 1 9 . 1 1 24 24 ASN H H 24 7.890 7.890 8.593 -0.703 19287 2459 1 9 . 1 1 25 25 GLN N N 25 122.760 122.760 122.315 0.445 19287 2460 1 9 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.621 0.070 19287 2461 1 9 . 1 1 25 25 GLN C C 25 175.670 175.670 177.067 -1.397 19287 2462 1 9 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.326 -0.846 19287 2463 1 9 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.605 0.515 19287 2464 1 9 . 1 1 25 25 GLN H H 25 8.440 8.440 8.051 0.389 19287 2465 1 9 . 1 1 26 26 TYR N N 26 119.190 119.190 119.975 -0.785 19287 2466 1 9 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.214 -0.054 19287 2467 1 9 . 1 1 26 26 TYR C C 26 176.520 176.520 176.984 -0.464 19287 2468 1 9 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.221 -0.051 19287 2469 1 9 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.744 -0.864 19287 2470 1 9 . 1 1 26 26 TYR H H 26 7.810 7.810 7.656 0.154 19287 2471 1 9 . 1 1 27 27 SER N N 27 109.600 109.600 113.032 -3.432 19287 2472 1 9 . 1 1 27 27 SER HA H 27 4.330 4.330 4.485 -0.155 19287 2473 1 9 . 1 1 27 27 SER C C 27 174.830 174.830 173.910 0.920 19287 2474 1 9 . 1 1 27 27 SER CA C 27 57.490 57.490 57.701 -0.211 19287 2475 1 9 . 1 1 27 27 SER CB C 27 64.640 64.640 63.874 0.766 19287 2476 1 9 . 1 1 27 27 SER H H 27 7.350 7.350 7.836 -0.486 19287 2477 1 9 . 1 1 28 28 ASN N N 28 119.830 119.830 119.194 0.636 19287 2478 1 9 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.278 -0.218 19287 2479 1 9 . 1 1 28 28 ASN C C 28 173.040 173.040 173.831 -0.791 19287 2480 1 9 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.505 -0.675 19287 2481 1 9 . 1 1 28 28 ASN CB C 28 37.400 37.400 37.882 -0.482 19287 2482 1 9 . 1 1 28 28 ASN H H 28 7.930 7.930 7.957 -0.027 19287 2483 1 9 . 1 1 29 29 THR N N 29 103.070 103.070 112.216 -9.146 19287 2484 1 9 . 1 1 29 29 THR HA H 29 4.441 4.441 4.678 -0.237 19287 2485 1 9 . 1 1 29 29 THR C C 29 172.980 172.980 171.935 1.045 19287 2486 1 9 . 1 1 29 29 THR CA C 29 58.920 58.920 61.618 -2.698 19287 2487 1 9 . 1 1 29 29 THR CB C 29 73.260 73.260 70.745 2.515 19287 2488 1 9 . 1 1 29 29 THR H H 29 6.990 6.990 7.635 -0.645 19287 2489 1 9 . 1 1 30 30 CYS N N 30 118.340 118.340 118.883 -0.543 19287 2490 1 9 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.447 0.015 19287 2491 1 9 . 1 1 30 30 CYS C C 30 173.320 173.320 173.550 -0.230 19287 2492 1 9 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.580 0.171 19287 2493 1 9 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.638 19.042 19287 2494 1 9 . 1 1 30 30 CYS H H 30 8.954 8.954 8.632 0.322 19287 2495 1 9 . 1 1 31 31 HIS N N 31 118.930 118.930 120.363 -1.433 19287 2496 1 9 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.068 -0.288 19287 2497 1 9 . 1 1 31 31 HIS C C 31 172.790 172.790 173.832 -1.042 19287 2498 1 9 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.601 -2.071 19287 2499 1 9 . 1 1 31 31 HIS CB C 31 33.040 33.040 32.936 0.104 19287 2500 1 9 . 1 1 31 31 HIS H H 31 9.010 9.010 9.553 -0.543 19287 2501 1 9 . 1 1 32 32 SER N N 32 117.600 117.600 120.817 -3.217 19287 2502 1 9 . 1 1 32 32 SER HA H 32 4.700 4.700 4.368 0.332 19287 2503 1 9 . 1 1 32 32 SER C C 32 174.930 174.930 173.893 1.037 19287 2504 1 9 . 1 1 32 32 SER CA C 32 57.980 57.980 60.006 -2.026 19287 2505 1 9 . 1 1 32 32 SER CB C 32 64.440 64.440 63.297 1.143 19287 2506 1 9 . 1 1 32 32 SER H H 32 8.740 8.740 8.281 0.459 19287 2507 1 9 . 1 1 33 33 PHE N N 33 120.690 120.690 121.446 -0.756 19287 2508 1 9 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.040 -0.250 19287 2509 1 9 . 1 1 33 33 PHE C C 33 171.810 171.810 173.551 -1.741 19287 2510 1 9 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.078 0.122 19287 2511 1 9 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.504 -1.274 19287 2512 1 9 . 1 1 33 33 PHE H H 33 8.830 8.830 9.089 -0.259 19287 2513 1 9 . 1 1 34 34 THR N N 34 116.650 116.650 111.724 4.926 19287 2514 1 9 . 1 1 34 34 THR HA H 34 3.965 3.965 4.201 -0.236 19287 2515 1 9 . 1 1 34 34 THR C C 34 172.600 172.600 172.486 0.114 19287 2516 1 9 . 1 1 34 34 THR CA C 34 61.980 61.980 60.815 1.165 19287 2517 1 9 . 1 1 34 34 THR CB C 34 68.530 68.530 69.739 -1.209 19287 2518 1 9 . 1 1 34 34 THR H H 34 8.400 8.400 8.173 0.227 19287 2519 1 9 . 1 1 35 35 TYR N N 35 127.790 127.790 125.333 2.457 19287 2520 1 9 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.668 -0.168 19287 2521 1 9 . 1 1 35 35 TYR C C 35 174.200 174.200 174.187 0.013 19287 2522 1 9 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.925 -1.795 19287 2523 1 9 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.459 -2.809 19287 2524 1 9 . 1 1 35 35 TYR H H 35 8.010 8.010 8.342 -0.332 19287 2525 1 9 . 1 1 39 39 GLY N N 39 103.730 103.730 108.641 -4.911 19287 2526 1 9 . 1 1 39 39 GLY C C 39 175.700 175.700 172.600 3.100 19287 2527 1 9 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.190 1.180 19287 2528 1 9 . 1 1 39 39 GLY H H 39 8.500 8.500 7.478 1.022 19287 2529 1 9 . 1 1 40 40 GLY N N 40 110.170 110.170 108.602 1.568 19287 2530 1 9 . 1 1 40 40 GLY C C 40 173.140 173.140 172.543 0.597 19287 2531 1 9 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.496 -0.176 19287 2532 1 9 . 1 1 40 40 GLY H H 40 8.670 8.670 7.736 0.934 19287 2533 1 9 . 1 1 41 41 ASN N N 41 116.960 116.960 117.823 -0.863 19287 2534 1 9 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.996 -0.436 19287 2535 1 9 . 1 1 41 41 ASN C C 41 173.670 173.670 175.988 -2.318 19287 2536 1 9 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.127 -0.278 19287 2537 1 9 . 1 1 41 41 ASN CB C 41 40.230 40.230 39.765 0.465 19287 2538 1 9 . 1 1 41 41 ASN H H 41 8.790 8.790 8.797 -0.007 19287 2539 1 9 . 1 1 42 42 ALA N N 42 113.290 113.290 122.358 -9.068 19287 2540 1 9 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.076 -0.356 19287 2541 1 9 . 1 1 42 42 ALA C C 42 177.220 177.220 178.264 -1.044 19287 2542 1 9 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.645 -1.835 19287 2543 1 9 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.389 -0.409 19287 2544 1 9 . 1 1 42 42 ALA H H 42 7.590 7.590 8.635 -1.045 19287 2545 1 9 . 1 1 43 43 ASN N N 43 117.710 117.710 115.383 2.327 19287 2546 1 9 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.704 -0.004 19287 2547 1 9 . 1 1 43 43 ASN C C 43 173.660 173.660 175.291 -1.631 19287 2548 1 9 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.705 -3.075 19287 2549 1 9 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.959 -3.119 19287 2550 1 9 . 1 1 43 43 ASN H H 43 7.900 7.900 8.174 -0.274 19287 2551 1 9 . 1 1 44 44 ARG N N 44 120.690 120.690 120.087 0.603 19287 2552 1 9 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.158 0.534 19287 2553 1 9 . 1 1 44 44 ARG C C 44 173.530 173.530 175.069 -1.539 19287 2554 1 9 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.036 -0.376 19287 2555 1 9 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.056 1.394 19287 2556 1 9 . 1 1 44 44 ARG H H 44 6.860 6.860 7.292 -0.432 19287 2557 1 9 . 1 1 45 45 PHE N N 45 123.690 123.690 122.452 1.238 19287 2558 1 9 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.861 -0.051 19287 2559 1 9 . 1 1 45 45 PHE C C 45 175.420 175.420 174.165 1.255 19287 2560 1 9 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.972 -1.302 19287 2561 1 9 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.181 0.609 19287 2562 1 9 . 1 1 45 45 PHE H H 45 9.340 9.340 8.049 1.291 19287 2563 1 9 . 1 1 46 46 ARG N N 46 120.920 120.920 117.437 3.483 19287 2564 1 9 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.627 -0.230 19287 2565 1 9 . 1 1 46 46 ARG C C 46 176.560 176.560 175.207 1.353 19287 2566 1 9 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.453 2.757 19287 2567 1 9 . 1 1 46 46 ARG CB C 46 30.900 30.900 31.156 -0.256 19287 2568 1 9 . 1 1 46 46 ARG H H 46 9.080 9.080 8.665 0.415 19287 2569 1 9 . 1 1 47 47 THR N N 47 102.800 102.800 112.677 -9.877 19287 2570 1 9 . 1 1 47 47 THR HA H 47 4.660 4.660 4.005 0.655 19287 2571 1 9 . 1 1 47 47 THR C C 47 174.110 174.110 173.449 0.661 19287 2572 1 9 . 1 1 47 47 THR CA C 47 58.170 58.170 59.648 -1.478 19287 2573 1 9 . 1 1 47 47 THR CB C 47 72.380 72.380 70.301 2.079 19287 2574 1 9 . 1 1 47 47 THR H H 47 7.230 7.230 7.320 -0.090 19287 2575 1 9 . 1 1 48 48 ILE N N 48 123.200 123.200 125.544 -2.344 19287 2576 1 9 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.417 -0.516 19287 2577 1 9 . 1 1 48 48 ILE C C 48 176.420 176.420 175.908 0.512 19287 2578 1 9 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.363 0.637 19287 2579 1 9 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.078 -1.018 19287 2580 1 9 . 1 1 48 48 ILE H H 48 8.110 8.110 7.922 0.188 19287 2581 1 9 . 1 1 49 49 ASP N N 49 119.560 119.560 119.426 0.134 19287 2582 1 9 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.284 -0.154 19287 2583 1 9 . 1 1 49 49 ASP C C 49 177.740 177.740 178.708 -0.968 19287 2584 1 9 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.411 -0.721 19287 2585 1 9 . 1 1 49 49 ASP CB C 49 39.970 39.970 39.997 -0.027 19287 2586 1 9 . 1 1 49 49 ASP H H 49 7.700 7.700 7.694 0.006 19287 2587 1 9 . 1 1 50 50 GLU N N 50 117.720 117.720 119.839 -2.119 19287 2588 1 9 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.285 -0.575 19287 2589 1 9 . 1 1 50 50 GLU C C 50 177.550 177.550 178.468 -0.918 19287 2590 1 9 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.353 0.197 19287 2591 1 9 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.797 -0.607 19287 2592 1 9 . 1 1 50 50 GLU H H 50 7.410 7.410 7.669 -0.259 19287 2593 1 9 . 1 1 51 51 CYS N N 51 120.260 120.260 119.936 0.324 19287 2594 1 9 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.066 -1.416 19287 2595 1 9 . 1 1 51 51 CYS C C 51 175.070 175.070 176.187 -1.117 19287 2596 1 9 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.162 -2.042 19287 2597 1 9 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.880 17.120 19287 2598 1 9 . 1 1 51 51 CYS H H 51 6.760 6.760 7.734 -0.974 19287 2599 1 9 . 1 1 52 52 ASN N N 52 120.160 120.160 119.754 0.406 19287 2600 1 9 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.372 -0.282 19287 2601 1 9 . 1 1 52 52 ASN C C 52 177.820 177.820 177.600 0.220 19287 2602 1 9 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.232 -1.172 19287 2603 1 9 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.194 -0.694 19287 2604 1 9 . 1 1 52 52 ASN H H 52 8.650 8.650 8.638 0.012 19287 2605 1 9 . 1 1 53 53 ARG N N 53 117.000 117.000 118.226 -1.226 19287 2606 1 9 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.051 -0.281 19287 2607 1 9 . 1 1 53 53 ARG C C 53 177.360 177.360 177.581 -0.221 19287 2608 1 9 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.701 -0.211 19287 2609 1 9 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.345 0.835 19287 2610 1 9 . 1 1 53 53 ARG H H 53 7.900 7.900 7.517 0.383 19287 2611 1 9 . 1 1 54 54 THR N N 54 112.080 112.080 112.071 0.009 19287 2612 1 9 . 1 1 54 54 THR HA H 54 3.838 3.838 4.496 -0.658 19287 2613 1 9 . 1 1 54 54 THR C C 54 174.990 174.990 175.090 -0.100 19287 2614 1 9 . 1 1 54 54 THR CA C 54 65.740 65.740 64.188 1.552 19287 2615 1 9 . 1 1 54 54 THR CB C 54 68.870 68.870 70.453 -1.583 19287 2616 1 9 . 1 1 54 54 THR H H 54 7.260 7.260 7.533 -0.273 19287 2617 1 9 . 1 1 55 55 CYS N N 55 112.540 112.540 118.093 -5.553 19287 2618 1 9 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.564 -0.164 19287 2619 1 9 . 1 1 55 55 CYS C C 55 172.940 172.940 174.309 -1.369 19287 2620 1 9 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.487 -4.257 19287 2621 1 9 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.223 13.707 19287 2622 1 9 . 1 1 55 55 CYS H H 55 7.590 7.590 8.212 -0.622 19287 2623 1 9 . 1 1 56 56 VAL N N 56 119.720 119.720 123.051 -3.331 19287 2624 1 9 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.213 -0.582 19287 2625 1 9 . 1 1 56 56 VAL C C 56 176.710 176.710 176.094 0.616 19287 2626 1 9 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.017 2.523 19287 2627 1 9 . 1 1 56 56 VAL CB C 56 30.970 30.970 29.995 0.975 19287 2628 1 9 . 1 1 56 56 VAL H H 56 7.280 7.280 8.049 -0.769 19287 2629 1 10 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.396 -0.379 19287 2630 1 10 . 1 1 2 2 PRO C C 2 177.920 177.920 177.505 0.415 19287 2631 1 10 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.349 0.452 19287 2632 1 10 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.725 -0.675 19287 2633 1 10 . 1 1 3 3 ARG N N 3 122.340 122.340 121.440 0.900 19287 2634 1 10 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.265 -0.479 19287 2635 1 10 . 1 1 3 3 ARG C C 3 178.950 178.950 177.881 1.069 19287 2636 1 10 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.726 0.684 19287 2637 1 10 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.502 -0.282 19287 2638 1 10 . 1 1 3 3 ARG H H 3 8.550 8.550 8.786 -0.236 19287 2639 1 10 . 1 1 4 4 PHE N N 4 113.010 113.010 117.498 -4.488 19287 2640 1 10 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.640 -0.340 19287 2641 1 10 . 1 1 4 4 PHE C C 4 176.070 176.070 176.502 -0.432 19287 2642 1 10 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.210 0.010 19287 2643 1 10 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.152 -0.842 19287 2644 1 10 . 1 1 4 4 PHE H H 4 7.150 7.150 7.730 -0.580 19287 2645 1 10 . 1 1 5 5 CYS N N 5 118.600 118.600 117.167 1.433 19287 2646 1 10 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.061 0.069 19287 2647 1 10 . 1 1 5 5 CYS C C 5 173.450 173.450 174.750 -1.300 19287 2648 1 10 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.451 -2.491 19287 2649 1 10 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.419 13.791 19287 2650 1 10 . 1 1 5 5 CYS H H 5 7.090 7.090 7.291 -0.201 19287 2651 1 10 . 1 1 6 6 GLU N N 6 110.710 110.710 118.076 -7.366 19287 2652 1 10 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.339 -0.157 19287 2653 1 10 . 1 1 6 6 GLU C C 6 176.310 176.310 176.215 0.095 19287 2654 1 10 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.378 0.132 19287 2655 1 10 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.431 -1.271 19287 2656 1 10 . 1 1 6 6 GLU H H 6 7.300 7.300 7.547 -0.247 19287 2657 1 10 . 1 1 7 7 LEU N N 7 119.090 119.090 121.318 -2.228 19287 2658 1 10 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.246 -0.086 19287 2659 1 10 . 1 1 7 7 LEU C C 7 176.630 176.630 175.900 0.730 19287 2660 1 10 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.484 0.025 19287 2661 1 10 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.656 -0.326 19287 2662 1 10 . 1 1 7 7 LEU H H 7 7.210 7.210 7.150 0.060 19287 2663 1 10 . 1 1 8 8 ALA N N 8 124.490 124.490 121.308 3.182 19287 2664 1 10 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.659 -0.409 19287 2665 1 10 . 1 1 8 8 ALA C C 8 174.710 174.710 175.512 -0.802 19287 2666 1 10 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.899 1.311 19287 2667 1 10 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.232 -2.302 19287 2668 1 10 . 1 1 8 8 ALA H H 8 8.280 8.280 8.228 0.052 19287 2669 1 10 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.736 -0.556 19287 2670 1 10 . 1 1 9 9 PRO C C 9 176.700 176.700 176.678 0.022 19287 2671 1 10 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.706 -1.216 19287 2672 1 10 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.701 -1.341 19287 2673 1 10 . 1 1 10 10 SER N N 10 112.100 112.100 122.540 -10.440 19287 2674 1 10 . 1 1 10 10 SER HA H 10 4.630 4.630 4.383 0.247 19287 2675 1 10 . 1 1 10 10 SER C C 10 174.190 174.190 175.117 -0.927 19287 2676 1 10 . 1 1 10 10 SER CA C 10 55.360 55.360 58.782 -3.422 19287 2677 1 10 . 1 1 10 10 SER CB C 10 64.550 64.550 61.240 3.310 19287 2678 1 10 . 1 1 10 10 SER H H 10 7.450 7.450 8.368 -0.918 19287 2679 1 10 . 1 1 11 11 ALA N N 11 129.980 129.980 125.706 4.274 19287 2680 1 10 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.121 0.375 19287 2681 1 10 . 1 1 11 11 ALA C C 11 178.510 178.510 179.042 -0.532 19287 2682 1 10 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.765 1.045 19287 2683 1 10 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.961 0.949 19287 2684 1 10 . 1 1 11 11 ALA H H 11 9.210 9.210 8.591 0.619 19287 2685 1 10 . 1 1 12 12 GLY N N 12 104.410 104.410 104.998 -0.588 19287 2686 1 10 . 1 1 12 12 GLY C C 12 174.850 174.850 175.549 -0.699 19287 2687 1 10 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.039 -0.589 19287 2688 1 10 . 1 1 12 12 GLY H H 12 8.190 8.190 8.071 0.119 19287 2689 1 10 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.533 -0.283 19287 2690 1 10 . 1 1 14 14 CYS C C 14 172.410 172.410 173.791 -1.381 19287 2691 1 10 . 1 1 14 14 CYS CA C 14 59.750 59.750 59.556 0.194 19287 2692 1 10 . 1 1 14 14 CYS CB C 14 39.130 39.130 28.140 10.990 19287 2693 1 10 . 1 1 15 15 PHE N N 15 116.000 116.000 124.753 -8.753 19287 2694 1 10 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.401 -0.021 19287 2695 1 10 . 1 1 15 15 PHE C C 15 174.300 174.300 174.820 -0.520 19287 2696 1 10 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.769 -0.939 19287 2697 1 10 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.200 0.240 19287 2698 1 10 . 1 1 15 15 PHE H H 15 7.960 7.960 8.688 -0.728 19287 2699 1 10 . 1 1 16 16 ALA N N 16 125.630 125.630 130.224 -4.594 19287 2700 1 10 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.663 -0.343 19287 2701 1 10 . 1 1 16 16 ALA C C 16 174.300 174.300 175.519 -1.219 19287 2702 1 10 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.474 -1.344 19287 2703 1 10 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.519 -2.339 19287 2704 1 10 . 1 1 16 16 ALA H H 16 7.800 7.800 7.711 0.089 19287 2705 1 10 . 1 1 17 17 PHE N N 17 116.330 116.330 122.209 -5.879 19287 2706 1 10 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.742 -0.352 19287 2707 1 10 . 1 1 17 17 PHE C C 17 175.310 175.310 174.070 1.240 19287 2708 1 10 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.293 1.867 19287 2709 1 10 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.006 -1.626 19287 2710 1 10 . 1 1 17 17 PHE H H 17 7.330 7.330 8.416 -1.086 19287 2711 1 10 . 1 1 18 18 VAL N N 18 122.890 122.890 124.639 -1.749 19287 2712 1 10 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.649 -0.174 19287 2713 1 10 . 1 1 18 18 VAL C C 18 173.590 173.590 173.441 0.149 19287 2714 1 10 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.591 0.309 19287 2715 1 10 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.174 -0.274 19287 2716 1 10 . 1 1 18 18 VAL H H 18 8.680 8.680 8.583 0.097 19287 2717 1 10 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.649 -0.374 19287 2718 1 10 . 1 1 19 19 PRO C C 19 176.940 176.940 176.585 0.355 19287 2719 1 10 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.448 1.612 19287 2720 1 10 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.818 -0.108 19287 2721 1 10 . 1 1 20 20 SER N N 20 120.230 120.230 118.787 1.443 19287 2722 1 10 . 1 1 20 20 SER HA H 20 4.780 4.780 4.725 0.055 19287 2723 1 10 . 1 1 20 20 SER C C 20 170.900 170.900 172.957 -2.057 19287 2724 1 10 . 1 1 20 20 SER CA C 20 57.450 57.450 57.118 0.332 19287 2725 1 10 . 1 1 20 20 SER CB C 20 67.910 67.910 66.594 1.316 19287 2726 1 10 . 1 1 20 20 SER H H 20 8.390 8.390 7.916 0.474 19287 2727 1 10 . 1 1 21 21 TYR N N 21 118.220 118.220 118.926 -0.706 19287 2728 1 10 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.096 0.504 19287 2729 1 10 . 1 1 21 21 TYR C C 21 173.770 173.770 175.191 -1.421 19287 2730 1 10 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.243 -0.503 19287 2731 1 10 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.159 0.501 19287 2732 1 10 . 1 1 21 21 TYR H H 21 9.020 9.020 8.940 0.080 19287 2733 1 10 . 1 1 22 22 TYR N N 22 119.260 119.260 125.444 -6.184 19287 2734 1 10 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.680 0.430 19287 2735 1 10 . 1 1 22 22 TYR C C 22 172.610 172.610 173.898 -1.288 19287 2736 1 10 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.099 -0.719 19287 2737 1 10 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.474 0.076 19287 2738 1 10 . 1 1 22 22 TYR H H 22 9.410 9.410 9.633 -0.223 19287 2739 1 10 . 1 1 23 23 TYR N N 23 123.200 123.200 130.053 -6.853 19287 2740 1 10 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.865 -0.483 19287 2741 1 10 . 1 1 23 23 TYR C C 23 173.250 173.250 174.431 -1.181 19287 2742 1 10 . 1 1 23 23 TYR CA C 23 58.360 58.360 58.117 0.243 19287 2743 1 10 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.580 -0.010 19287 2744 1 10 . 1 1 23 23 TYR H H 23 10.190 10.190 9.185 1.005 19287 2745 1 10 . 1 1 24 24 ASN N N 24 126.280 126.280 127.842 -1.562 19287 2746 1 10 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.913 -0.363 19287 2747 1 10 . 1 1 24 24 ASN C C 24 174.000 174.000 175.199 -1.199 19287 2748 1 10 . 1 1 24 24 ASN CA C 24 51.360 51.360 52.014 -0.654 19287 2749 1 10 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.349 0.691 19287 2750 1 10 . 1 1 24 24 ASN H H 24 7.890 7.890 8.435 -0.545 19287 2751 1 10 . 1 1 25 25 GLN N N 25 122.760 122.760 123.135 -0.375 19287 2752 1 10 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.648 0.043 19287 2753 1 10 . 1 1 25 25 GLN C C 25 175.670 175.670 176.894 -1.224 19287 2754 1 10 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.468 -0.988 19287 2755 1 10 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.872 0.249 19287 2756 1 10 . 1 1 25 25 GLN H H 25 8.440 8.440 8.239 0.201 19287 2757 1 10 . 1 1 26 26 TYR N N 26 119.190 119.190 119.357 -0.167 19287 2758 1 10 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.334 -0.174 19287 2759 1 10 . 1 1 26 26 TYR C C 26 176.520 176.520 176.647 -0.127 19287 2760 1 10 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.434 0.736 19287 2761 1 10 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.848 -0.968 19287 2762 1 10 . 1 1 26 26 TYR H H 26 7.810 7.810 7.716 0.094 19287 2763 1 10 . 1 1 27 27 SER N N 27 109.600 109.600 112.203 -2.603 19287 2764 1 10 . 1 1 27 27 SER HA H 27 4.330 4.330 4.534 -0.204 19287 2765 1 10 . 1 1 27 27 SER C C 27 174.830 174.830 173.896 0.934 19287 2766 1 10 . 1 1 27 27 SER CA C 27 57.490 57.490 57.431 0.059 19287 2767 1 10 . 1 1 27 27 SER CB C 27 64.640 64.640 63.960 0.680 19287 2768 1 10 . 1 1 27 27 SER H H 27 7.350 7.350 7.433 -0.083 19287 2769 1 10 . 1 1 28 28 ASN N N 28 119.830 119.830 119.554 0.276 19287 2770 1 10 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.340 -0.280 19287 2771 1 10 . 1 1 28 28 ASN C C 28 173.040 173.040 174.503 -1.463 19287 2772 1 10 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.639 -0.808 19287 2773 1 10 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.070 -0.670 19287 2774 1 10 . 1 1 28 28 ASN H H 28 7.930 7.930 7.896 0.034 19287 2775 1 10 . 1 1 29 29 THR N N 29 103.070 103.070 110.315 -7.245 19287 2776 1 10 . 1 1 29 29 THR HA H 29 4.441 4.441 4.682 -0.241 19287 2777 1 10 . 1 1 29 29 THR C C 29 172.980 172.980 171.984 0.996 19287 2778 1 10 . 1 1 29 29 THR CA C 29 58.920 58.920 61.061 -2.141 19287 2779 1 10 . 1 1 29 29 THR CB C 29 73.260 73.260 70.786 2.474 19287 2780 1 10 . 1 1 29 29 THR H H 29 6.990 6.990 7.818 -0.828 19287 2781 1 10 . 1 1 30 30 CYS N N 30 118.340 118.340 120.354 -2.014 19287 2782 1 10 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.474 -0.012 19287 2783 1 10 . 1 1 30 30 CYS C C 30 173.320 173.320 173.343 -0.023 19287 2784 1 10 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.580 0.170 19287 2785 1 10 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.032 19.648 19287 2786 1 10 . 1 1 30 30 CYS H H 30 8.954 8.954 8.626 0.328 19287 2787 1 10 . 1 1 31 31 HIS N N 31 118.930 118.930 121.912 -2.982 19287 2788 1 10 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.056 -0.276 19287 2789 1 10 . 1 1 31 31 HIS C C 31 172.790 172.790 173.569 -0.779 19287 2790 1 10 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.574 -2.044 19287 2791 1 10 . 1 1 31 31 HIS CB C 31 33.040 33.040 32.956 0.084 19287 2792 1 10 . 1 1 31 31 HIS H H 31 9.010 9.010 9.626 -0.616 19287 2793 1 10 . 1 1 32 32 SER N N 32 117.600 117.600 120.997 -3.397 19287 2794 1 10 . 1 1 32 32 SER HA H 32 4.700 4.700 4.213 0.487 19287 2795 1 10 . 1 1 32 32 SER C C 32 174.930 174.930 173.756 1.174 19287 2796 1 10 . 1 1 32 32 SER CA C 32 57.980 57.980 59.060 -1.080 19287 2797 1 10 . 1 1 32 32 SER CB C 32 64.440 64.440 63.369 1.071 19287 2798 1 10 . 1 1 32 32 SER H H 32 8.740 8.740 8.276 0.464 19287 2799 1 10 . 1 1 33 33 PHE N N 33 120.690 120.690 120.308 0.382 19287 2800 1 10 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.987 -0.197 19287 2801 1 10 . 1 1 33 33 PHE C C 33 171.810 171.810 173.745 -1.935 19287 2802 1 10 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.797 0.403 19287 2803 1 10 . 1 1 33 33 PHE CB C 33 40.230 40.230 40.992 -0.762 19287 2804 1 10 . 1 1 33 33 PHE H H 33 8.830 8.830 9.026 -0.196 19287 2805 1 10 . 1 1 34 34 THR N N 34 116.650 116.650 112.138 4.512 19287 2806 1 10 . 1 1 34 34 THR HA H 34 3.965 3.965 4.260 -0.295 19287 2807 1 10 . 1 1 34 34 THR C C 34 172.600 172.600 172.467 0.133 19287 2808 1 10 . 1 1 34 34 THR CA C 34 61.980 61.980 61.153 0.827 19287 2809 1 10 . 1 1 34 34 THR CB C 34 68.530 68.530 69.709 -1.179 19287 2810 1 10 . 1 1 34 34 THR H H 34 8.400 8.400 8.139 0.261 19287 2811 1 10 . 1 1 35 35 TYR N N 35 127.790 127.790 124.953 2.837 19287 2812 1 10 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.614 -0.114 19287 2813 1 10 . 1 1 35 35 TYR C C 35 174.200 174.200 174.031 0.169 19287 2814 1 10 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.622 -1.492 19287 2815 1 10 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.057 -2.407 19287 2816 1 10 . 1 1 35 35 TYR H H 35 8.010 8.010 8.403 -0.393 19287 2817 1 10 . 1 1 39 39 GLY N N 39 103.730 103.730 109.061 -5.331 19287 2818 1 10 . 1 1 39 39 GLY C C 39 175.700 175.700 175.093 0.607 19287 2819 1 10 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.289 0.081 19287 2820 1 10 . 1 1 39 39 GLY H H 39 8.500 8.500 8.630 -0.130 19287 2821 1 10 . 1 1 40 40 GLY N N 40 110.170 110.170 111.122 -0.952 19287 2822 1 10 . 1 1 40 40 GLY C C 40 173.140 173.140 174.604 -1.464 19287 2823 1 10 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.813 -0.493 19287 2824 1 10 . 1 1 40 40 GLY H H 40 8.670 8.670 7.670 1.000 19287 2825 1 10 . 1 1 41 41 ASN N N 41 116.960 116.960 120.489 -3.529 19287 2826 1 10 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.757 -0.197 19287 2827 1 10 . 1 1 41 41 ASN C C 41 173.670 173.670 176.501 -2.831 19287 2828 1 10 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.852 -1.002 19287 2829 1 10 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.464 -0.234 19287 2830 1 10 . 1 1 41 41 ASN H H 41 8.790 8.790 8.367 0.423 19287 2831 1 10 . 1 1 42 42 ALA N N 42 113.290 113.290 122.247 -8.957 19287 2832 1 10 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.131 -0.411 19287 2833 1 10 . 1 1 42 42 ALA C C 42 177.220 177.220 178.511 -1.291 19287 2834 1 10 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.719 -1.909 19287 2835 1 10 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.683 -0.703 19287 2836 1 10 . 1 1 42 42 ALA H H 42 7.590 7.590 8.740 -1.150 19287 2837 1 10 . 1 1 43 43 ASN N N 43 117.710 117.710 115.561 2.149 19287 2838 1 10 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.625 0.075 19287 2839 1 10 . 1 1 43 43 ASN C C 43 173.660 173.660 175.349 -1.689 19287 2840 1 10 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.109 -3.479 19287 2841 1 10 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.211 -3.371 19287 2842 1 10 . 1 1 43 43 ASN H H 43 7.900 7.900 8.104 -0.204 19287 2843 1 10 . 1 1 44 44 ARG N N 44 120.690 120.690 120.392 0.298 19287 2844 1 10 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.554 0.138 19287 2845 1 10 . 1 1 44 44 ARG C C 44 173.530 173.530 174.976 -1.446 19287 2846 1 10 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.517 0.143 19287 2847 1 10 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.670 1.780 19287 2848 1 10 . 1 1 44 44 ARG H H 44 6.860 6.860 7.326 -0.466 19287 2849 1 10 . 1 1 45 45 PHE N N 45 123.690 123.690 123.101 0.589 19287 2850 1 10 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.893 -0.083 19287 2851 1 10 . 1 1 45 45 PHE C C 45 175.420 175.420 175.422 -0.002 19287 2852 1 10 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.940 -1.270 19287 2853 1 10 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.545 0.245 19287 2854 1 10 . 1 1 45 45 PHE H H 45 9.340 9.340 8.754 0.586 19287 2855 1 10 . 1 1 46 46 ARG N N 46 120.920 120.920 118.331 2.589 19287 2856 1 10 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.687 -0.290 19287 2857 1 10 . 1 1 46 46 ARG C C 46 176.560 176.560 175.359 1.201 19287 2858 1 10 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.347 2.863 19287 2859 1 10 . 1 1 46 46 ARG CB C 46 30.900 30.900 31.025 -0.125 19287 2860 1 10 . 1 1 46 46 ARG H H 46 9.080 9.080 8.824 0.256 19287 2861 1 10 . 1 1 47 47 THR N N 47 102.800 102.800 112.576 -9.776 19287 2862 1 10 . 1 1 47 47 THR HA H 47 4.660 4.660 4.239 0.421 19287 2863 1 10 . 1 1 47 47 THR C C 47 174.110 174.110 173.255 0.855 19287 2864 1 10 . 1 1 47 47 THR CA C 47 58.170 58.170 59.580 -1.410 19287 2865 1 10 . 1 1 47 47 THR CB C 47 72.380 72.380 71.230 1.150 19287 2866 1 10 . 1 1 47 47 THR H H 47 7.230 7.230 7.442 -0.212 19287 2867 1 10 . 1 1 48 48 ILE N N 48 123.200 123.200 124.901 -1.701 19287 2868 1 10 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.617 -0.716 19287 2869 1 10 . 1 1 48 48 ILE C C 48 176.420 176.420 175.433 0.987 19287 2870 1 10 . 1 1 48 48 ILE CA C 48 64.000 64.000 62.781 1.219 19287 2871 1 10 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.114 -1.054 19287 2872 1 10 . 1 1 48 48 ILE H H 48 8.110 8.110 8.031 0.079 19287 2873 1 10 . 1 1 49 49 ASP N N 49 119.560 119.560 119.564 -0.004 19287 2874 1 10 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.288 -0.158 19287 2875 1 10 . 1 1 49 49 ASP C C 49 177.740 177.740 178.570 -0.830 19287 2876 1 10 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.478 -0.788 19287 2877 1 10 . 1 1 49 49 ASP CB C 49 39.970 39.970 39.918 0.052 19287 2878 1 10 . 1 1 49 49 ASP H H 49 7.700 7.700 7.787 -0.087 19287 2879 1 10 . 1 1 50 50 GLU N N 50 117.720 117.720 119.956 -2.236 19287 2880 1 10 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.242 -0.532 19287 2881 1 10 . 1 1 50 50 GLU C C 50 177.550 177.550 178.185 -0.635 19287 2882 1 10 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.495 0.055 19287 2883 1 10 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.773 -0.583 19287 2884 1 10 . 1 1 50 50 GLU H H 50 7.410 7.410 7.572 -0.162 19287 2885 1 10 . 1 1 51 51 CYS N N 51 120.260 120.260 120.128 0.132 19287 2886 1 10 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.006 -1.356 19287 2887 1 10 . 1 1 51 51 CYS C C 51 175.070 175.070 176.227 -1.157 19287 2888 1 10 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.901 -2.780 19287 2889 1 10 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.165 16.835 19287 2890 1 10 . 1 1 51 51 CYS H H 51 6.760 6.760 7.553 -0.793 19287 2891 1 10 . 1 1 52 52 ASN N N 52 120.160 120.160 119.233 0.927 19287 2892 1 10 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.389 -0.299 19287 2893 1 10 . 1 1 52 52 ASN C C 52 177.820 177.820 177.339 0.481 19287 2894 1 10 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.331 -1.271 19287 2895 1 10 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.872 -0.372 19287 2896 1 10 . 1 1 52 52 ASN H H 52 8.650 8.650 8.626 0.024 19287 2897 1 10 . 1 1 53 53 ARG N N 53 117.000 117.000 118.569 -1.569 19287 2898 1 10 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.039 -0.269 19287 2899 1 10 . 1 1 53 53 ARG C C 53 177.360 177.360 177.605 -0.245 19287 2900 1 10 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.640 -0.150 19287 2901 1 10 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.290 0.890 19287 2902 1 10 . 1 1 53 53 ARG H H 53 7.900 7.900 7.515 0.385 19287 2903 1 10 . 1 1 54 54 THR N N 54 112.080 112.080 112.438 -0.358 19287 2904 1 10 . 1 1 54 54 THR HA H 54 3.838 3.838 4.437 -0.599 19287 2905 1 10 . 1 1 54 54 THR C C 54 174.990 174.990 174.775 0.215 19287 2906 1 10 . 1 1 54 54 THR CA C 54 65.740 65.740 64.326 1.413 19287 2907 1 10 . 1 1 54 54 THR CB C 54 68.870 68.870 70.305 -1.435 19287 2908 1 10 . 1 1 54 54 THR H H 54 7.260 7.260 7.766 -0.506 19287 2909 1 10 . 1 1 55 55 CYS N N 55 112.540 112.540 117.765 -5.225 19287 2910 1 10 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.491 -0.091 19287 2911 1 10 . 1 1 55 55 CYS C C 55 172.940 172.940 173.883 -0.943 19287 2912 1 10 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.415 -4.185 19287 2913 1 10 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.426 13.504 19287 2914 1 10 . 1 1 55 55 CYS H H 55 7.590 7.590 7.850 -0.260 19287 2915 1 10 . 1 1 56 56 VAL N N 56 119.720 119.720 122.722 -3.002 19287 2916 1 10 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.269 -0.638 19287 2917 1 10 . 1 1 56 56 VAL C C 56 176.710 176.710 176.226 0.484 19287 2918 1 10 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.086 2.454 19287 2919 1 10 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.591 0.379 19287 2920 1 10 . 1 1 56 56 VAL H H 56 7.280 7.280 7.938 -0.658 19287 2921 1 11 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.561 -0.544 19287 2922 1 11 . 1 1 2 2 PRO C C 2 177.920 177.920 177.495 0.425 19287 2923 1 11 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.191 0.609 19287 2924 1 11 . 1 1 2 2 PRO CB C 2 32.050 32.050 33.170 -1.120 19287 2925 1 11 . 1 1 3 3 ARG N N 3 122.340 122.340 122.489 -0.149 19287 2926 1 11 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.216 -0.430 19287 2927 1 11 . 1 1 3 3 ARG C C 3 178.950 178.950 178.451 0.499 19287 2928 1 11 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.315 0.095 19287 2929 1 11 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.148 0.072 19287 2930 1 11 . 1 1 3 3 ARG H H 3 8.550 8.550 8.916 -0.366 19287 2931 1 11 . 1 1 4 4 PHE N N 4 113.010 113.010 118.119 -5.109 19287 2932 1 11 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.451 -0.151 19287 2933 1 11 . 1 1 4 4 PHE C C 4 176.070 176.070 176.267 -0.197 19287 2934 1 11 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.903 -0.683 19287 2935 1 11 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.659 -0.349 19287 2936 1 11 . 1 1 4 4 PHE H H 4 7.150 7.150 8.014 -0.864 19287 2937 1 11 . 1 1 5 5 CYS N N 5 118.600 118.600 116.534 2.066 19287 2938 1 11 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.274 -0.144 19287 2939 1 11 . 1 1 5 5 CYS C C 5 173.450 173.450 174.977 -1.527 19287 2940 1 11 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.006 -2.046 19287 2941 1 11 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.513 13.697 19287 2942 1 11 . 1 1 5 5 CYS H H 5 7.090 7.090 7.198 -0.108 19287 2943 1 11 . 1 1 6 6 GLU N N 6 110.710 110.710 117.950 -7.240 19287 2944 1 11 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.383 -0.201 19287 2945 1 11 . 1 1 6 6 GLU C C 6 176.310 176.310 176.254 0.056 19287 2946 1 11 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.419 0.091 19287 2947 1 11 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.405 -1.245 19287 2948 1 11 . 1 1 6 6 GLU H H 6 7.300 7.300 7.631 -0.331 19287 2949 1 11 . 1 1 7 7 LEU N N 7 119.090 119.090 121.208 -2.118 19287 2950 1 11 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.331 -0.171 19287 2951 1 11 . 1 1 7 7 LEU C C 7 176.630 176.630 176.149 0.481 19287 2952 1 11 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.072 0.438 19287 2953 1 11 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.332 -0.002 19287 2954 1 11 . 1 1 7 7 LEU H H 7 7.210 7.210 7.314 -0.104 19287 2955 1 11 . 1 1 8 8 ALA N N 8 124.490 124.490 122.383 2.107 19287 2956 1 11 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.603 -0.353 19287 2957 1 11 . 1 1 8 8 ALA C C 8 174.710 174.710 175.562 -0.852 19287 2958 1 11 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.783 1.427 19287 2959 1 11 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.371 -2.441 19287 2960 1 11 . 1 1 8 8 ALA H H 8 8.280 8.280 8.249 0.031 19287 2961 1 11 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.636 -0.456 19287 2962 1 11 . 1 1 9 9 PRO C C 9 176.700 176.700 176.477 0.223 19287 2963 1 11 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.785 -1.295 19287 2964 1 11 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.886 -1.526 19287 2965 1 11 . 1 1 10 10 SER N N 10 112.100 112.100 121.210 -9.110 19287 2966 1 11 . 1 1 10 10 SER HA H 10 4.630 4.630 4.422 0.208 19287 2967 1 11 . 1 1 10 10 SER C C 10 174.190 174.190 175.230 -1.040 19287 2968 1 11 . 1 1 10 10 SER CA C 10 55.360 55.360 56.666 -1.306 19287 2969 1 11 . 1 1 10 10 SER CB C 10 64.550 64.550 62.413 2.136 19287 2970 1 11 . 1 1 10 10 SER H H 10 7.450 7.450 8.386 -0.936 19287 2971 1 11 . 1 1 11 11 ALA N N 11 129.980 129.980 128.468 1.512 19287 2972 1 11 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.068 0.428 19287 2973 1 11 . 1 1 11 11 ALA C C 11 178.510 178.510 177.691 0.819 19287 2974 1 11 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.550 1.260 19287 2975 1 11 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.995 0.915 19287 2976 1 11 . 1 1 11 11 ALA H H 11 9.210 9.210 8.051 1.159 19287 2977 1 11 . 1 1 12 12 GLY N N 12 104.410 104.410 103.666 0.744 19287 2978 1 11 . 1 1 12 12 GLY C C 12 174.850 174.850 175.754 -0.904 19287 2979 1 11 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.329 -0.879 19287 2980 1 11 . 1 1 12 12 GLY H H 12 8.190 8.190 8.047 0.143 19287 2981 1 11 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.701 -0.451 19287 2982 1 11 . 1 1 14 14 CYS C C 14 172.410 172.410 172.345 0.065 19287 2983 1 11 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.233 1.517 19287 2984 1 11 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.338 8.792 19287 2985 1 11 . 1 1 15 15 PHE N N 15 116.000 116.000 123.124 -7.124 19287 2986 1 11 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.736 -0.356 19287 2987 1 11 . 1 1 15 15 PHE C C 15 174.300 174.300 173.655 0.645 19287 2988 1 11 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.234 -0.404 19287 2989 1 11 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.797 -0.357 19287 2990 1 11 . 1 1 15 15 PHE H H 15 7.960 7.960 8.629 -0.669 19287 2991 1 11 . 1 1 16 16 ALA N N 16 125.630 125.630 129.622 -3.992 19287 2992 1 11 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.651 -0.331 19287 2993 1 11 . 1 1 16 16 ALA C C 16 174.300 174.300 174.529 -0.229 19287 2994 1 11 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.605 -1.474 19287 2995 1 11 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.762 -2.582 19287 2996 1 11 . 1 1 16 16 ALA H H 16 7.800 7.800 7.868 -0.068 19287 2997 1 11 . 1 1 17 17 PHE N N 17 116.330 116.330 122.636 -6.306 19287 2998 1 11 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.933 -0.543 19287 2999 1 11 . 1 1 17 17 PHE C C 17 175.310 175.310 173.948 1.362 19287 3000 1 11 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.797 1.363 19287 3001 1 11 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.383 -1.003 19287 3002 1 11 . 1 1 17 17 PHE H H 17 7.330 7.330 8.478 -1.148 19287 3003 1 11 . 1 1 18 18 VAL N N 18 122.890 122.890 124.716 -1.826 19287 3004 1 11 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.353 0.122 19287 3005 1 11 . 1 1 18 18 VAL C C 18 173.590 173.590 173.417 0.173 19287 3006 1 11 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.366 0.534 19287 3007 1 11 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.545 0.355 19287 3008 1 11 . 1 1 18 18 VAL H H 18 8.680 8.680 8.720 -0.040 19287 3009 1 11 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.496 -0.221 19287 3010 1 11 . 1 1 19 19 PRO C C 19 176.940 176.940 176.376 0.564 19287 3011 1 11 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.647 1.413 19287 3012 1 11 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.066 0.644 19287 3013 1 11 . 1 1 20 20 SER N N 20 120.230 120.230 119.053 1.177 19287 3014 1 11 . 1 1 20 20 SER HA H 20 4.780 4.780 4.653 0.127 19287 3015 1 11 . 1 1 20 20 SER C C 20 170.900 170.900 173.046 -2.146 19287 3016 1 11 . 1 1 20 20 SER CA C 20 57.450 57.450 57.111 0.339 19287 3017 1 11 . 1 1 20 20 SER CB C 20 67.910 67.910 66.231 1.679 19287 3018 1 11 . 1 1 20 20 SER H H 20 8.390 8.390 7.740 0.650 19287 3019 1 11 . 1 1 21 21 TYR N N 21 118.220 118.220 118.864 -0.644 19287 3020 1 11 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.109 0.491 19287 3021 1 11 . 1 1 21 21 TYR C C 21 173.770 173.770 175.058 -1.288 19287 3022 1 11 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.312 -0.572 19287 3023 1 11 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.071 0.589 19287 3024 1 11 . 1 1 21 21 TYR H H 21 9.020 9.020 8.396 0.624 19287 3025 1 11 . 1 1 22 22 TYR N N 22 119.260 119.260 124.822 -5.562 19287 3026 1 11 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.897 0.213 19287 3027 1 11 . 1 1 22 22 TYR C C 22 172.610 172.610 173.962 -1.352 19287 3028 1 11 . 1 1 22 22 TYR CA C 22 55.380 55.380 55.426 -0.046 19287 3029 1 11 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.821 -1.271 19287 3030 1 11 . 1 1 22 22 TYR H H 22 9.410 9.410 9.727 -0.317 19287 3031 1 11 . 1 1 23 23 TYR N N 23 123.200 123.200 127.170 -3.970 19287 3032 1 11 . 1 1 23 23 TYR HA H 23 4.382 4.382 5.196 -0.814 19287 3033 1 11 . 1 1 23 23 TYR C C 23 173.250 173.250 174.371 -1.121 19287 3034 1 11 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.733 1.627 19287 3035 1 11 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.194 -1.624 19287 3036 1 11 . 1 1 23 23 TYR H H 23 10.190 10.190 8.333 1.857 19287 3037 1 11 . 1 1 24 24 ASN N N 24 126.280 126.280 127.127 -0.847 19287 3038 1 11 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.949 -0.399 19287 3039 1 11 . 1 1 24 24 ASN C C 24 174.000 174.000 175.328 -1.328 19287 3040 1 11 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.407 -0.047 19287 3041 1 11 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.553 1.488 19287 3042 1 11 . 1 1 24 24 ASN H H 24 7.890 7.890 8.826 -0.936 19287 3043 1 11 . 1 1 25 25 GLN N N 25 122.760 122.760 123.849 -1.089 19287 3044 1 11 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.572 0.119 19287 3045 1 11 . 1 1 25 25 GLN C C 25 175.670 175.670 176.650 -0.980 19287 3046 1 11 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.281 -0.800 19287 3047 1 11 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.760 0.360 19287 3048 1 11 . 1 1 25 25 GLN H H 25 8.440 8.440 8.139 0.301 19287 3049 1 11 . 1 1 26 26 TYR N N 26 119.190 119.190 119.238 -0.048 19287 3050 1 11 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.370 -0.210 19287 3051 1 11 . 1 1 26 26 TYR C C 26 176.520 176.520 176.689 -0.169 19287 3052 1 11 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.255 0.915 19287 3053 1 11 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.919 -1.039 19287 3054 1 11 . 1 1 26 26 TYR H H 26 7.810 7.810 7.611 0.199 19287 3055 1 11 . 1 1 27 27 SER N N 27 109.600 109.600 112.321 -2.721 19287 3056 1 11 . 1 1 27 27 SER HA H 27 4.330 4.330 4.605 -0.275 19287 3057 1 11 . 1 1 27 27 SER C C 27 174.830 174.830 173.873 0.957 19287 3058 1 11 . 1 1 27 27 SER CA C 27 57.490 57.490 57.516 -0.026 19287 3059 1 11 . 1 1 27 27 SER CB C 27 64.640 64.640 64.038 0.602 19287 3060 1 11 . 1 1 27 27 SER H H 27 7.350 7.350 7.618 -0.268 19287 3061 1 11 . 1 1 28 28 ASN N N 28 119.830 119.830 119.037 0.793 19287 3062 1 11 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.331 -0.271 19287 3063 1 11 . 1 1 28 28 ASN C C 28 173.040 173.040 174.364 -1.324 19287 3064 1 11 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.521 -0.691 19287 3065 1 11 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.151 -0.751 19287 3066 1 11 . 1 1 28 28 ASN H H 28 7.930 7.930 7.761 0.169 19287 3067 1 11 . 1 1 29 29 THR N N 29 103.070 103.070 110.658 -7.588 19287 3068 1 11 . 1 1 29 29 THR HA H 29 4.441 4.441 4.662 -0.221 19287 3069 1 11 . 1 1 29 29 THR C C 29 172.980 172.980 172.009 0.971 19287 3070 1 11 . 1 1 29 29 THR CA C 29 58.920 58.920 61.435 -2.515 19287 3071 1 11 . 1 1 29 29 THR CB C 29 73.260 73.260 70.783 2.477 19287 3072 1 11 . 1 1 29 29 THR H H 29 6.990 6.990 7.676 -0.686 19287 3073 1 11 . 1 1 30 30 CYS N N 30 118.340 118.340 118.479 -0.139 19287 3074 1 11 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.624 -0.162 19287 3075 1 11 . 1 1 30 30 CYS C C 30 173.320 173.320 173.579 -0.259 19287 3076 1 11 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.511 0.239 19287 3077 1 11 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.878 18.802 19287 3078 1 11 . 1 1 30 30 CYS H H 30 8.954 8.954 8.696 0.258 19287 3079 1 11 . 1 1 31 31 HIS N N 31 118.930 118.930 119.633 -0.703 19287 3080 1 11 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.080 -0.300 19287 3081 1 11 . 1 1 31 31 HIS C C 31 172.790 172.790 173.608 -0.818 19287 3082 1 11 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.361 -1.831 19287 3083 1 11 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.392 -0.352 19287 3084 1 11 . 1 1 31 31 HIS H H 31 9.010 9.010 9.629 -0.619 19287 3085 1 11 . 1 1 32 32 SER N N 32 117.600 117.600 119.289 -1.689 19287 3086 1 11 . 1 1 32 32 SER HA H 32 4.700 4.700 4.232 0.468 19287 3087 1 11 . 1 1 32 32 SER C C 32 174.930 174.930 173.805 1.125 19287 3088 1 11 . 1 1 32 32 SER CA C 32 57.980 57.980 59.083 -1.103 19287 3089 1 11 . 1 1 32 32 SER CB C 32 64.440 64.440 63.092 1.348 19287 3090 1 11 . 1 1 32 32 SER H H 32 8.740 8.740 8.133 0.607 19287 3091 1 11 . 1 1 33 33 PHE N N 33 120.690 120.690 120.610 0.080 19287 3092 1 11 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.005 -0.215 19287 3093 1 11 . 1 1 33 33 PHE C C 33 171.810 171.810 173.791 -1.981 19287 3094 1 11 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.877 0.324 19287 3095 1 11 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.329 -1.099 19287 3096 1 11 . 1 1 33 33 PHE H H 33 8.830 8.830 8.917 -0.087 19287 3097 1 11 . 1 1 34 34 THR N N 34 116.650 116.650 112.432 4.218 19287 3098 1 11 . 1 1 34 34 THR HA H 34 3.965 3.965 4.356 -0.391 19287 3099 1 11 . 1 1 34 34 THR C C 34 172.600 172.600 172.430 0.170 19287 3100 1 11 . 1 1 34 34 THR CA C 34 61.980 61.980 60.965 1.015 19287 3101 1 11 . 1 1 34 34 THR CB C 34 68.530 68.530 69.544 -1.014 19287 3102 1 11 . 1 1 34 34 THR H H 34 8.400 8.400 8.191 0.209 19287 3103 1 11 . 1 1 35 35 TYR N N 35 127.790 127.790 125.256 2.534 19287 3104 1 11 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.586 -0.086 19287 3105 1 11 . 1 1 35 35 TYR C C 35 174.200 174.200 174.482 -0.282 19287 3106 1 11 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.838 -1.708 19287 3107 1 11 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.025 -2.375 19287 3108 1 11 . 1 1 35 35 TYR H H 35 8.010 8.010 7.854 0.156 19287 3109 1 11 . 1 1 39 39 GLY N N 39 103.730 103.730 110.249 -6.519 19287 3110 1 11 . 1 1 39 39 GLY C C 39 175.700 175.700 173.586 2.114 19287 3111 1 11 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.847 0.523 19287 3112 1 11 . 1 1 39 39 GLY H H 39 8.500 8.500 8.318 0.182 19287 3113 1 11 . 1 1 40 40 GLY N N 40 110.170 110.170 106.576 3.594 19287 3114 1 11 . 1 1 40 40 GLY C C 40 173.140 173.140 173.125 0.015 19287 3115 1 11 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.810 -0.491 19287 3116 1 11 . 1 1 40 40 GLY H H 40 8.670 8.670 7.922 0.748 19287 3117 1 11 . 1 1 41 41 ASN N N 41 116.960 116.960 117.859 -0.899 19287 3118 1 11 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.894 -0.334 19287 3119 1 11 . 1 1 41 41 ASN C C 41 173.670 173.670 175.552 -1.882 19287 3120 1 11 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.032 -0.182 19287 3121 1 11 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.302 -0.072 19287 3122 1 11 . 1 1 41 41 ASN H H 41 8.790 8.790 8.677 0.113 19287 3123 1 11 . 1 1 42 42 ALA N N 42 113.290 113.290 121.467 -8.177 19287 3124 1 11 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.113 -0.393 19287 3125 1 11 . 1 1 42 42 ALA C C 42 177.220 177.220 177.895 -0.675 19287 3126 1 11 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.631 -1.821 19287 3127 1 11 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.956 -0.976 19287 3128 1 11 . 1 1 42 42 ALA H H 42 7.590 7.590 8.548 -0.958 19287 3129 1 11 . 1 1 43 43 ASN N N 43 117.710 117.710 115.260 2.450 19287 3130 1 11 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.539 0.161 19287 3131 1 11 . 1 1 43 43 ASN C C 43 173.660 173.660 174.100 -0.440 19287 3132 1 11 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.578 -2.948 19287 3133 1 11 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.356 -3.516 19287 3134 1 11 . 1 1 43 43 ASN H H 43 7.900 7.900 8.009 -0.109 19287 3135 1 11 . 1 1 44 44 ARG N N 44 120.690 120.690 119.329 1.361 19287 3136 1 11 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.247 0.445 19287 3137 1 11 . 1 1 44 44 ARG C C 44 173.530 173.530 174.565 -1.035 19287 3138 1 11 . 1 1 44 44 ARG CA C 44 56.660 56.660 55.535 1.125 19287 3139 1 11 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.512 1.938 19287 3140 1 11 . 1 1 44 44 ARG H H 44 6.860 6.860 6.816 0.044 19287 3141 1 11 . 1 1 45 45 PHE N N 45 123.690 123.690 123.256 0.434 19287 3142 1 11 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.957 -0.147 19287 3143 1 11 . 1 1 45 45 PHE C C 45 175.420 175.420 175.931 -0.511 19287 3144 1 11 . 1 1 45 45 PHE CA C 45 55.670 55.670 55.681 -0.011 19287 3145 1 11 . 1 1 45 45 PHE CB C 45 43.790 43.790 41.727 2.063 19287 3146 1 11 . 1 1 45 45 PHE H H 45 9.340 9.340 8.232 1.108 19287 3147 1 11 . 1 1 46 46 ARG N N 46 120.920 120.920 117.820 3.100 19287 3148 1 11 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.515 -0.118 19287 3149 1 11 . 1 1 46 46 ARG C C 46 176.560 176.560 176.489 0.071 19287 3150 1 11 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.075 2.135 19287 3151 1 11 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.550 0.350 19287 3152 1 11 . 1 1 46 46 ARG H H 46 9.080 9.080 8.810 0.270 19287 3153 1 11 . 1 1 47 47 THR N N 47 102.800 102.800 111.646 -8.846 19287 3154 1 11 . 1 1 47 47 THR HA H 47 4.660 4.660 4.382 0.278 19287 3155 1 11 . 1 1 47 47 THR C C 47 174.110 174.110 173.459 0.651 19287 3156 1 11 . 1 1 47 47 THR CA C 47 58.170 58.170 60.133 -1.963 19287 3157 1 11 . 1 1 47 47 THR CB C 47 72.380 72.380 70.567 1.813 19287 3158 1 11 . 1 1 47 47 THR H H 47 7.230 7.230 7.455 -0.225 19287 3159 1 11 . 1 1 48 48 ILE N N 48 123.200 123.200 124.465 -1.265 19287 3160 1 11 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.801 -0.900 19287 3161 1 11 . 1 1 48 48 ILE C C 48 176.420 176.420 175.745 0.675 19287 3162 1 11 . 1 1 48 48 ILE CA C 48 64.000 64.000 62.803 1.197 19287 3163 1 11 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.171 -1.111 19287 3164 1 11 . 1 1 48 48 ILE H H 48 8.110 8.110 7.942 0.168 19287 3165 1 11 . 1 1 49 49 ASP N N 49 119.560 119.560 118.978 0.582 19287 3166 1 11 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.314 -0.184 19287 3167 1 11 . 1 1 49 49 ASP C C 49 177.740 177.740 178.405 -0.665 19287 3168 1 11 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.398 -0.708 19287 3169 1 11 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.091 -0.121 19287 3170 1 11 . 1 1 49 49 ASP H H 49 7.700 7.700 7.723 -0.023 19287 3171 1 11 . 1 1 50 50 GLU N N 50 117.720 117.720 119.762 -2.042 19287 3172 1 11 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.237 -0.527 19287 3173 1 11 . 1 1 50 50 GLU C C 50 177.550 177.550 178.484 -0.934 19287 3174 1 11 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.639 -0.089 19287 3175 1 11 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.824 -0.634 19287 3176 1 11 . 1 1 50 50 GLU H H 50 7.410 7.410 7.676 -0.266 19287 3177 1 11 . 1 1 51 51 CYS N N 51 120.260 120.260 117.387 2.873 19287 3178 1 11 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.772 -2.122 19287 3179 1 11 . 1 1 51 51 CYS C C 51 175.070 175.070 176.607 -1.537 19287 3180 1 11 . 1 1 51 51 CYS CA C 51 59.120 59.120 60.524 -1.404 19287 3181 1 11 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.213 16.787 19287 3182 1 11 . 1 1 51 51 CYS H H 51 6.760 6.760 7.795 -1.035 19287 3183 1 11 . 1 1 52 52 ASN N N 52 120.160 120.160 120.657 -0.497 19287 3184 1 11 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.453 -0.363 19287 3185 1 11 . 1 1 52 52 ASN C C 52 177.820 177.820 177.593 0.227 19287 3186 1 11 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.022 -0.961 19287 3187 1 11 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.381 -0.881 19287 3188 1 11 . 1 1 52 52 ASN H H 52 8.650 8.650 8.534 0.116 19287 3189 1 11 . 1 1 53 53 ARG N N 53 117.000 117.000 118.546 -1.546 19287 3190 1 11 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.031 -0.261 19287 3191 1 11 . 1 1 53 53 ARG C C 53 177.360 177.360 177.578 -0.218 19287 3192 1 11 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.717 -0.227 19287 3193 1 11 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.387 0.793 19287 3194 1 11 . 1 1 53 53 ARG H H 53 7.900 7.900 7.582 0.318 19287 3195 1 11 . 1 1 54 54 THR N N 54 112.080 112.080 111.865 0.215 19287 3196 1 11 . 1 1 54 54 THR HA H 54 3.838 3.838 4.441 -0.603 19287 3197 1 11 . 1 1 54 54 THR C C 54 174.990 174.990 174.357 0.633 19287 3198 1 11 . 1 1 54 54 THR CA C 54 65.740 65.740 63.273 2.467 19287 3199 1 11 . 1 1 54 54 THR CB C 54 68.870 68.870 70.126 -1.256 19287 3200 1 11 . 1 1 54 54 THR H H 54 7.260 7.260 7.819 -0.559 19287 3201 1 11 . 1 1 55 55 CYS N N 55 112.540 112.540 117.386 -4.846 19287 3202 1 11 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.434 -0.034 19287 3203 1 11 . 1 1 55 55 CYS C C 55 172.940 172.940 174.389 -1.449 19287 3204 1 11 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.703 -4.473 19287 3205 1 11 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.550 13.380 19287 3206 1 11 . 1 1 55 55 CYS H H 55 7.590 7.590 7.424 0.166 19287 3207 1 11 . 1 1 56 56 VAL N N 56 119.720 119.720 123.374 -3.654 19287 3208 1 11 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.134 -0.503 19287 3209 1 11 . 1 1 56 56 VAL C C 56 176.710 176.710 175.704 1.006 19287 3210 1 11 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.001 1.539 19287 3211 1 11 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.568 0.402 19287 3212 1 11 . 1 1 56 56 VAL H H 56 7.280 7.280 8.040 -0.760 19287 3213 1 12 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.434 -0.417 19287 3214 1 12 . 1 1 2 2 PRO C C 2 177.920 177.920 177.443 0.477 19287 3215 1 12 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.306 0.494 19287 3216 1 12 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.654 -0.604 19287 3217 1 12 . 1 1 3 3 ARG N N 3 122.340 122.340 121.456 0.884 19287 3218 1 12 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.227 -0.441 19287 3219 1 12 . 1 1 3 3 ARG C C 3 178.950 178.950 178.329 0.621 19287 3220 1 12 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.134 0.276 19287 3221 1 12 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.474 -0.254 19287 3222 1 12 . 1 1 3 3 ARG H H 3 8.550 8.550 8.804 -0.254 19287 3223 1 12 . 1 1 4 4 PHE N N 4 113.010 113.010 117.764 -4.754 19287 3224 1 12 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.542 -0.242 19287 3225 1 12 . 1 1 4 4 PHE C C 4 176.070 176.070 175.475 0.595 19287 3226 1 12 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.758 -0.538 19287 3227 1 12 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.339 -1.028 19287 3228 1 12 . 1 1 4 4 PHE H H 4 7.150 7.150 7.926 -0.776 19287 3229 1 12 . 1 1 5 5 CYS N N 5 118.600 118.600 113.132 5.468 19287 3230 1 12 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.315 -0.185 19287 3231 1 12 . 1 1 5 5 CYS C C 5 173.450 173.450 174.961 -1.511 19287 3232 1 12 . 1 1 5 5 CYS CA C 5 57.960 57.960 57.041 0.919 19287 3233 1 12 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.370 12.840 19287 3234 1 12 . 1 1 5 5 CYS H H 5 7.090 7.090 7.004 0.086 19287 3235 1 12 . 1 1 6 6 GLU N N 6 110.710 110.710 119.806 -9.096 19287 3236 1 12 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.444 -0.262 19287 3237 1 12 . 1 1 6 6 GLU C C 6 176.310 176.310 176.111 0.199 19287 3238 1 12 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.141 0.369 19287 3239 1 12 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.041 -0.881 19287 3240 1 12 . 1 1 6 6 GLU H H 6 7.300 7.300 7.597 -0.297 19287 3241 1 12 . 1 1 7 7 LEU N N 7 119.090 119.090 120.186 -1.096 19287 3242 1 12 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.440 -0.280 19287 3243 1 12 . 1 1 7 7 LEU C C 7 176.630 176.630 175.548 1.082 19287 3244 1 12 . 1 1 7 7 LEU CA C 7 54.510 54.510 53.997 0.513 19287 3245 1 12 . 1 1 7 7 LEU CB C 7 42.330 42.330 43.256 -0.926 19287 3246 1 12 . 1 1 7 7 LEU H H 7 7.210 7.210 7.210 0.000 19287 3247 1 12 . 1 1 8 8 ALA N N 8 124.490 124.490 120.331 4.159 19287 3248 1 12 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.920 -0.670 19287 3249 1 12 . 1 1 8 8 ALA C C 8 174.710 174.710 175.996 -1.286 19287 3250 1 12 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.677 1.533 19287 3251 1 12 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.490 -2.560 19287 3252 1 12 . 1 1 8 8 ALA H H 8 8.280 8.280 8.102 0.178 19287 3253 1 12 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.747 -0.567 19287 3254 1 12 . 1 1 9 9 PRO C C 9 176.700 176.700 176.336 0.364 19287 3255 1 12 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.349 -0.859 19287 3256 1 12 . 1 1 9 9 PRO CB C 9 30.360 30.360 30.222 0.138 19287 3257 1 12 . 1 1 10 10 SER N N 10 112.100 112.100 117.140 -5.040 19287 3258 1 12 . 1 1 10 10 SER HA H 10 4.630 4.630 4.298 0.332 19287 3259 1 12 . 1 1 10 10 SER C C 10 174.190 174.190 174.805 -0.615 19287 3260 1 12 . 1 1 10 10 SER CA C 10 55.360 55.360 58.646 -3.286 19287 3261 1 12 . 1 1 10 10 SER CB C 10 64.550 64.550 63.507 1.043 19287 3262 1 12 . 1 1 10 10 SER H H 10 7.450 7.450 8.090 -0.640 19287 3263 1 12 . 1 1 11 11 ALA N N 11 129.980 129.980 129.524 0.456 19287 3264 1 12 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.140 0.356 19287 3265 1 12 . 1 1 11 11 ALA C C 11 178.510 178.510 177.923 0.587 19287 3266 1 12 . 1 1 11 11 ALA CA C 11 54.810 54.810 52.387 2.423 19287 3267 1 12 . 1 1 11 11 ALA CB C 11 19.910 19.910 19.111 0.799 19287 3268 1 12 . 1 1 11 11 ALA H H 11 9.210 9.210 8.222 0.988 19287 3269 1 12 . 1 1 12 12 GLY N N 12 104.410 104.410 105.249 -0.839 19287 3270 1 12 . 1 1 12 12 GLY C C 12 174.850 174.850 175.547 -0.697 19287 3271 1 12 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.704 -1.254 19287 3272 1 12 . 1 1 12 12 GLY H H 12 8.190 8.190 8.179 0.011 19287 3273 1 12 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.738 -0.488 19287 3274 1 12 . 1 1 14 14 CYS C C 14 172.410 172.410 173.844 -1.434 19287 3275 1 12 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.638 2.112 19287 3276 1 12 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.624 8.506 19287 3277 1 12 . 1 1 15 15 PHE N N 15 116.000 116.000 123.383 -7.383 19287 3278 1 12 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.808 -0.428 19287 3279 1 12 . 1 1 15 15 PHE C C 15 174.300 174.300 174.166 0.134 19287 3280 1 12 . 1 1 15 15 PHE CA C 15 56.830 56.830 56.957 -0.127 19287 3281 1 12 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.149 0.291 19287 3282 1 12 . 1 1 15 15 PHE H H 15 7.960 7.960 8.808 -0.848 19287 3283 1 12 . 1 1 16 16 ALA N N 16 125.630 125.630 131.647 -6.017 19287 3284 1 12 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.217 0.103 19287 3285 1 12 . 1 1 16 16 ALA C C 16 174.300 174.300 175.149 -0.849 19287 3286 1 12 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.541 -1.411 19287 3287 1 12 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.641 -2.461 19287 3288 1 12 . 1 1 16 16 ALA H H 16 7.800 7.800 7.968 -0.168 19287 3289 1 12 . 1 1 17 17 PHE N N 17 116.330 116.330 123.450 -7.120 19287 3290 1 12 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.973 -0.583 19287 3291 1 12 . 1 1 17 17 PHE C C 17 175.310 175.310 173.808 1.502 19287 3292 1 12 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.937 1.223 19287 3293 1 12 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.336 -1.956 19287 3294 1 12 . 1 1 17 17 PHE H H 17 7.330 7.330 8.248 -0.918 19287 3295 1 12 . 1 1 18 18 VAL N N 18 122.890 122.890 124.290 -1.400 19287 3296 1 12 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.381 0.094 19287 3297 1 12 . 1 1 18 18 VAL C C 18 173.590 173.590 173.210 0.380 19287 3298 1 12 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.077 0.823 19287 3299 1 12 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.340 -0.440 19287 3300 1 12 . 1 1 18 18 VAL H H 18 8.680 8.680 8.688 -0.008 19287 3301 1 12 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.576 -0.301 19287 3302 1 12 . 1 1 19 19 PRO C C 19 176.940 176.940 176.341 0.599 19287 3303 1 12 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.570 1.490 19287 3304 1 12 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.765 -0.055 19287 3305 1 12 . 1 1 20 20 SER N N 20 120.230 120.230 117.237 2.993 19287 3306 1 12 . 1 1 20 20 SER HA H 20 4.780 4.780 4.761 0.019 19287 3307 1 12 . 1 1 20 20 SER C C 20 170.900 170.900 173.141 -2.241 19287 3308 1 12 . 1 1 20 20 SER CA C 20 57.450 57.450 56.037 1.413 19287 3309 1 12 . 1 1 20 20 SER CB C 20 67.910 67.910 66.139 1.770 19287 3310 1 12 . 1 1 20 20 SER H H 20 8.390 8.390 8.195 0.195 19287 3311 1 12 . 1 1 21 21 TYR N N 21 118.220 118.220 119.628 -1.408 19287 3312 1 12 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.152 0.448 19287 3313 1 12 . 1 1 21 21 TYR C C 21 173.770 173.770 174.894 -1.124 19287 3314 1 12 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.888 -0.148 19287 3315 1 12 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.103 0.557 19287 3316 1 12 . 1 1 21 21 TYR H H 21 9.020 9.020 8.282 0.738 19287 3317 1 12 . 1 1 22 22 TYR N N 22 119.260 119.260 125.352 -6.092 19287 3318 1 12 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.709 0.401 19287 3319 1 12 . 1 1 22 22 TYR C C 22 172.610 172.610 173.987 -1.377 19287 3320 1 12 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.373 -0.993 19287 3321 1 12 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.686 -0.136 19287 3322 1 12 . 1 1 22 22 TYR H H 22 9.410 9.410 9.588 -0.178 19287 3323 1 12 . 1 1 23 23 TYR N N 23 123.200 123.200 130.056 -6.856 19287 3324 1 12 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.823 -0.441 19287 3325 1 12 . 1 1 23 23 TYR C C 23 173.250 173.250 174.405 -1.155 19287 3326 1 12 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.801 0.559 19287 3327 1 12 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.446 0.124 19287 3328 1 12 . 1 1 23 23 TYR H H 23 10.190 10.190 8.803 1.387 19287 3329 1 12 . 1 1 24 24 ASN N N 24 126.280 126.280 127.374 -1.094 19287 3330 1 12 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.748 -0.198 19287 3331 1 12 . 1 1 24 24 ASN C C 24 174.000 174.000 175.221 -1.221 19287 3332 1 12 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.733 -0.373 19287 3333 1 12 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.290 0.750 19287 3334 1 12 . 1 1 24 24 ASN H H 24 7.890 7.890 8.607 -0.717 19287 3335 1 12 . 1 1 25 25 GLN N N 25 122.760 122.760 123.012 -0.252 19287 3336 1 12 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.807 -0.116 19287 3337 1 12 . 1 1 25 25 GLN C C 25 175.670 175.670 176.775 -1.105 19287 3338 1 12 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.139 -0.659 19287 3339 1 12 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.730 0.390 19287 3340 1 12 . 1 1 25 25 GLN H H 25 8.440 8.440 7.929 0.511 19287 3341 1 12 . 1 1 26 26 TYR N N 26 119.190 119.190 119.420 -0.230 19287 3342 1 12 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.281 -0.121 19287 3343 1 12 . 1 1 26 26 TYR C C 26 176.520 176.520 176.743 -0.223 19287 3344 1 12 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.934 0.236 19287 3345 1 12 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.708 -0.828 19287 3346 1 12 . 1 1 26 26 TYR H H 26 7.810 7.810 7.644 0.166 19287 3347 1 12 . 1 1 27 27 SER N N 27 109.600 109.600 111.781 -2.181 19287 3348 1 12 . 1 1 27 27 SER HA H 27 4.330 4.330 4.598 -0.268 19287 3349 1 12 . 1 1 27 27 SER C C 27 174.830 174.830 173.860 0.970 19287 3350 1 12 . 1 1 27 27 SER CA C 27 57.490 57.490 57.315 0.175 19287 3351 1 12 . 1 1 27 27 SER CB C 27 64.640 64.640 64.133 0.507 19287 3352 1 12 . 1 1 27 27 SER H H 27 7.350 7.350 7.573 -0.223 19287 3353 1 12 . 1 1 28 28 ASN N N 28 119.830 119.830 119.033 0.797 19287 3354 1 12 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.390 -0.330 19287 3355 1 12 . 1 1 28 28 ASN C C 28 173.040 173.040 174.171 -1.131 19287 3356 1 12 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.727 -0.897 19287 3357 1 12 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.096 -0.696 19287 3358 1 12 . 1 1 28 28 ASN H H 28 7.930 7.930 7.932 -0.002 19287 3359 1 12 . 1 1 29 29 THR N N 29 103.070 103.070 112.178 -9.108 19287 3360 1 12 . 1 1 29 29 THR HA H 29 4.441 4.441 4.752 -0.311 19287 3361 1 12 . 1 1 29 29 THR C C 29 172.980 172.980 171.861 1.119 19287 3362 1 12 . 1 1 29 29 THR CA C 29 58.920 58.920 61.490 -2.570 19287 3363 1 12 . 1 1 29 29 THR CB C 29 73.260 73.260 71.443 1.817 19287 3364 1 12 . 1 1 29 29 THR H H 29 6.990 6.990 7.727 -0.737 19287 3365 1 12 . 1 1 30 30 CYS N N 30 118.340 118.340 121.162 -2.822 19287 3366 1 12 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.520 -0.058 19287 3367 1 12 . 1 1 30 30 CYS C C 30 173.320 173.320 173.406 -0.086 19287 3368 1 12 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.739 0.011 19287 3369 1 12 . 1 1 30 30 CYS CB C 30 50.680 50.680 30.716 19.964 19287 3370 1 12 . 1 1 30 30 CYS H H 30 8.954 8.954 8.666 0.288 19287 3371 1 12 . 1 1 31 31 HIS N N 31 118.930 118.930 123.863 -4.933 19287 3372 1 12 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.073 -0.293 19287 3373 1 12 . 1 1 31 31 HIS C C 31 172.790 172.790 173.637 -0.847 19287 3374 1 12 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.381 -1.851 19287 3375 1 12 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.250 -0.210 19287 3376 1 12 . 1 1 31 31 HIS H H 31 9.010 9.010 9.718 -0.708 19287 3377 1 12 . 1 1 32 32 SER N N 32 117.600 117.600 120.431 -2.831 19287 3378 1 12 . 1 1 32 32 SER HA H 32 4.700 4.700 4.273 0.427 19287 3379 1 12 . 1 1 32 32 SER C C 32 174.930 174.930 173.836 1.094 19287 3380 1 12 . 1 1 32 32 SER CA C 32 57.980 57.980 59.161 -1.181 19287 3381 1 12 . 1 1 32 32 SER CB C 32 64.440 64.440 63.165 1.275 19287 3382 1 12 . 1 1 32 32 SER H H 32 8.740 8.740 8.307 0.433 19287 3383 1 12 . 1 1 33 33 PHE N N 33 120.690 120.690 120.138 0.552 19287 3384 1 12 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.021 -0.231 19287 3385 1 12 . 1 1 33 33 PHE C C 33 171.810 171.810 173.796 -1.986 19287 3386 1 12 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.072 0.128 19287 3387 1 12 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.277 -1.047 19287 3388 1 12 . 1 1 33 33 PHE H H 33 8.830 8.830 8.941 -0.111 19287 3389 1 12 . 1 1 34 34 THR N N 34 116.650 116.650 112.191 4.459 19287 3390 1 12 . 1 1 34 34 THR HA H 34 3.965 3.965 4.179 -0.214 19287 3391 1 12 . 1 1 34 34 THR C C 34 172.600 172.600 172.473 0.127 19287 3392 1 12 . 1 1 34 34 THR CA C 34 61.980 61.980 61.158 0.822 19287 3393 1 12 . 1 1 34 34 THR CB C 34 68.530 68.530 69.657 -1.127 19287 3394 1 12 . 1 1 34 34 THR H H 34 8.400 8.400 8.092 0.308 19287 3395 1 12 . 1 1 35 35 TYR N N 35 127.790 127.790 125.444 2.346 19287 3396 1 12 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.709 -0.209 19287 3397 1 12 . 1 1 35 35 TYR C C 35 174.200 174.200 173.996 0.204 19287 3398 1 12 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.699 -1.569 19287 3399 1 12 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.848 -2.198 19287 3400 1 12 . 1 1 35 35 TYR H H 35 8.010 8.010 8.505 -0.495 19287 3401 1 12 . 1 1 39 39 GLY N N 39 103.730 103.730 110.601 -6.871 19287 3402 1 12 . 1 1 39 39 GLY C C 39 175.700 175.700 174.514 1.186 19287 3403 1 12 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.560 -0.190 19287 3404 1 12 . 1 1 39 39 GLY H H 39 8.500 8.500 8.527 -0.027 19287 3405 1 12 . 1 1 40 40 GLY N N 40 110.170 110.170 113.116 -2.946 19287 3406 1 12 . 1 1 40 40 GLY C C 40 173.140 173.140 175.110 -1.970 19287 3407 1 12 . 1 1 40 40 GLY CA C 40 44.320 44.320 45.045 -0.726 19287 3408 1 12 . 1 1 40 40 GLY H H 40 8.670 8.670 7.938 0.732 19287 3409 1 12 . 1 1 41 41 ASN N N 41 116.960 116.960 124.153 -7.193 19287 3410 1 12 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.533 0.027 19287 3411 1 12 . 1 1 41 41 ASN C C 41 173.670 173.670 176.580 -2.910 19287 3412 1 12 . 1 1 41 41 ASN CA C 41 51.850 51.850 53.322 -1.472 19287 3413 1 12 . 1 1 41 41 ASN CB C 41 40.230 40.230 39.494 0.736 19287 3414 1 12 . 1 1 41 41 ASN H H 41 8.790 8.790 8.260 0.530 19287 3415 1 12 . 1 1 42 42 ALA N N 42 113.290 113.290 121.923 -8.633 19287 3416 1 12 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.033 -0.313 19287 3417 1 12 . 1 1 42 42 ALA C C 42 177.220 177.220 178.473 -1.253 19287 3418 1 12 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.331 -1.521 19287 3419 1 12 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.277 -0.298 19287 3420 1 12 . 1 1 42 42 ALA H H 42 7.590 7.590 8.582 -0.992 19287 3421 1 12 . 1 1 43 43 ASN N N 43 117.710 117.710 114.862 2.848 19287 3422 1 12 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.372 0.328 19287 3423 1 12 . 1 1 43 43 ASN C C 43 173.660 173.660 175.170 -1.510 19287 3424 1 12 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.720 -3.090 19287 3425 1 12 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.349 -3.509 19287 3426 1 12 . 1 1 43 43 ASN H H 43 7.900 7.900 8.043 -0.143 19287 3427 1 12 . 1 1 44 44 ARG N N 44 120.690 120.690 119.982 0.708 19287 3428 1 12 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.043 0.649 19287 3429 1 12 . 1 1 44 44 ARG C C 44 173.530 173.530 174.880 -1.350 19287 3430 1 12 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.009 -0.349 19287 3431 1 12 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.309 1.141 19287 3432 1 12 . 1 1 44 44 ARG H H 44 6.860 6.860 6.991 -0.131 19287 3433 1 12 . 1 1 45 45 PHE N N 45 123.690 123.690 122.825 0.865 19287 3434 1 12 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.892 -0.082 19287 3435 1 12 . 1 1 45 45 PHE C C 45 175.420 175.420 174.796 0.624 19287 3436 1 12 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.761 -1.091 19287 3437 1 12 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.300 0.490 19287 3438 1 12 . 1 1 45 45 PHE H H 45 9.340 9.340 8.062 1.278 19287 3439 1 12 . 1 1 46 46 ARG N N 46 120.920 120.920 118.233 2.687 19287 3440 1 12 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.653 -0.256 19287 3441 1 12 . 1 1 46 46 ARG C C 46 176.560 176.560 175.448 1.112 19287 3442 1 12 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.494 2.716 19287 3443 1 12 . 1 1 46 46 ARG CB C 46 30.900 30.900 31.081 -0.181 19287 3444 1 12 . 1 1 46 46 ARG H H 46 9.080 9.080 8.709 0.371 19287 3445 1 12 . 1 1 47 47 THR N N 47 102.800 102.800 112.088 -9.288 19287 3446 1 12 . 1 1 47 47 THR HA H 47 4.660 4.660 4.157 0.503 19287 3447 1 12 . 1 1 47 47 THR C C 47 174.110 174.110 173.278 0.832 19287 3448 1 12 . 1 1 47 47 THR CA C 47 58.170 58.170 59.344 -1.174 19287 3449 1 12 . 1 1 47 47 THR CB C 47 72.380 72.380 71.149 1.231 19287 3450 1 12 . 1 1 47 47 THR H H 47 7.230 7.230 7.301 -0.071 19287 3451 1 12 . 1 1 48 48 ILE N N 48 123.200 123.200 123.796 -0.596 19287 3452 1 12 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.470 -0.569 19287 3453 1 12 . 1 1 48 48 ILE C C 48 176.420 176.420 175.663 0.757 19287 3454 1 12 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.255 0.745 19287 3455 1 12 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.025 -0.965 19287 3456 1 12 . 1 1 48 48 ILE H H 48 8.110 8.110 7.931 0.179 19287 3457 1 12 . 1 1 49 49 ASP N N 49 119.560 119.560 119.686 -0.126 19287 3458 1 12 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.219 -0.089 19287 3459 1 12 . 1 1 49 49 ASP C C 49 177.740 177.740 178.116 -0.376 19287 3460 1 12 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.652 -0.962 19287 3461 1 12 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.518 -0.548 19287 3462 1 12 . 1 1 49 49 ASP H H 49 7.700 7.700 7.665 0.035 19287 3463 1 12 . 1 1 50 50 GLU N N 50 117.720 117.720 118.965 -1.245 19287 3464 1 12 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.155 -0.445 19287 3465 1 12 . 1 1 50 50 GLU C C 50 177.550 177.550 178.411 -0.861 19287 3466 1 12 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.465 0.085 19287 3467 1 12 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.564 -0.373 19287 3468 1 12 . 1 1 50 50 GLU H H 50 7.410 7.410 7.591 -0.181 19287 3469 1 12 . 1 1 51 51 CYS N N 51 120.260 120.260 119.310 0.950 19287 3470 1 12 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.687 -1.037 19287 3471 1 12 . 1 1 51 51 CYS C C 51 175.070 175.070 175.930 -0.860 19287 3472 1 12 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.073 -1.953 19287 3473 1 12 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.788 17.212 19287 3474 1 12 . 1 1 51 51 CYS H H 51 6.760 6.760 7.605 -0.845 19287 3475 1 12 . 1 1 52 52 ASN N N 52 120.160 120.160 119.428 0.732 19287 3476 1 12 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.348 -0.258 19287 3477 1 12 . 1 1 52 52 ASN C C 52 177.820 177.820 177.504 0.316 19287 3478 1 12 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.042 -0.982 19287 3479 1 12 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.702 -0.202 19287 3480 1 12 . 1 1 52 52 ASN H H 52 8.650 8.650 8.462 0.188 19287 3481 1 12 . 1 1 53 53 ARG N N 53 117.000 117.000 118.370 -1.370 19287 3482 1 12 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.021 -0.251 19287 3483 1 12 . 1 1 53 53 ARG C C 53 177.360 177.360 177.545 -0.185 19287 3484 1 12 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.710 -0.220 19287 3485 1 12 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.213 0.967 19287 3486 1 12 . 1 1 53 53 ARG H H 53 7.900 7.900 7.607 0.293 19287 3487 1 12 . 1 1 54 54 THR N N 54 112.080 112.080 112.115 -0.035 19287 3488 1 12 . 1 1 54 54 THR HA H 54 3.838 3.838 4.466 -0.628 19287 3489 1 12 . 1 1 54 54 THR C C 54 174.990 174.990 174.553 0.437 19287 3490 1 12 . 1 1 54 54 THR CA C 54 65.740 65.740 63.508 2.232 19287 3491 1 12 . 1 1 54 54 THR CB C 54 68.870 68.870 70.205 -1.335 19287 3492 1 12 . 1 1 54 54 THR H H 54 7.260 7.260 7.569 -0.309 19287 3493 1 12 . 1 1 55 55 CYS N N 55 112.540 112.540 117.184 -4.644 19287 3494 1 12 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.418 -0.018 19287 3495 1 12 . 1 1 55 55 CYS C C 55 172.940 172.940 174.067 -1.127 19287 3496 1 12 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.112 -3.882 19287 3497 1 12 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.353 13.577 19287 3498 1 12 . 1 1 55 55 CYS H H 55 7.590 7.590 7.394 0.196 19287 3499 1 12 . 1 1 56 56 VAL N N 56 119.720 119.720 123.522 -3.802 19287 3500 1 12 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.019 -0.388 19287 3501 1 12 . 1 1 56 56 VAL C C 56 176.710 176.710 176.432 0.278 19287 3502 1 12 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.507 1.033 19287 3503 1 12 . 1 1 56 56 VAL CB C 56 30.970 30.970 31.430 -0.460 19287 3504 1 12 . 1 1 56 56 VAL H H 56 7.280 7.280 7.786 -0.506 19287 3505 1 13 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.430 -0.413 19287 3506 1 13 . 1 1 2 2 PRO C C 2 177.920 177.920 177.910 0.010 19287 3507 1 13 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.470 0.330 19287 3508 1 13 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.657 -0.607 19287 3509 1 13 . 1 1 3 3 ARG N N 3 122.340 122.340 120.652 1.688 19287 3510 1 13 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.294 -0.508 19287 3511 1 13 . 1 1 3 3 ARG C C 3 178.950 178.950 175.605 3.345 19287 3512 1 13 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.673 0.737 19287 3513 1 13 . 1 1 3 3 ARG CB C 3 29.220 29.220 28.706 0.514 19287 3514 1 13 . 1 1 3 3 ARG H H 3 8.550 8.550 8.810 -0.260 19287 3515 1 13 . 1 1 4 4 PHE N N 4 113.010 113.010 116.577 -3.567 19287 3516 1 13 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.569 -0.269 19287 3517 1 13 . 1 1 4 4 PHE C C 4 176.070 176.070 176.019 0.051 19287 3518 1 13 . 1 1 4 4 PHE CA C 4 58.220 58.220 57.181 1.039 19287 3519 1 13 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.842 -0.531 19287 3520 1 13 . 1 1 4 4 PHE H H 4 7.150 7.150 7.447 -0.297 19287 3521 1 13 . 1 1 5 5 CYS N N 5 118.600 118.600 113.767 4.833 19287 3522 1 13 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.413 -0.283 19287 3523 1 13 . 1 1 5 5 CYS C C 5 173.450 173.450 175.227 -1.777 19287 3524 1 13 . 1 1 5 5 CYS CA C 5 57.960 57.960 57.777 0.183 19287 3525 1 13 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.672 12.538 19287 3526 1 13 . 1 1 5 5 CYS H H 5 7.090 7.090 7.000 0.090 19287 3527 1 13 . 1 1 6 6 GLU N N 6 110.710 110.710 119.452 -8.742 19287 3528 1 13 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.414 -0.232 19287 3529 1 13 . 1 1 6 6 GLU C C 6 176.310 176.310 176.031 0.279 19287 3530 1 13 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.180 0.330 19287 3531 1 13 . 1 1 6 6 GLU CB C 6 28.160 28.160 28.626 -0.466 19287 3532 1 13 . 1 1 6 6 GLU H H 6 7.300 7.300 8.116 -0.816 19287 3533 1 13 . 1 1 7 7 LEU N N 7 119.090 119.090 120.658 -1.568 19287 3534 1 13 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.407 -0.247 19287 3535 1 13 . 1 1 7 7 LEU C C 7 176.630 176.630 176.063 0.567 19287 3536 1 13 . 1 1 7 7 LEU CA C 7 54.510 54.510 53.668 0.842 19287 3537 1 13 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.670 -0.340 19287 3538 1 13 . 1 1 7 7 LEU H H 7 7.210 7.210 7.400 -0.190 19287 3539 1 13 . 1 1 8 8 ALA N N 8 124.490 124.490 122.362 2.128 19287 3540 1 13 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.780 -0.530 19287 3541 1 13 . 1 1 8 8 ALA C C 8 174.710 174.710 175.708 -0.998 19287 3542 1 13 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.665 1.545 19287 3543 1 13 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.355 -2.425 19287 3544 1 13 . 1 1 8 8 ALA H H 8 8.280 8.280 8.236 0.044 19287 3545 1 13 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.648 -0.468 19287 3546 1 13 . 1 1 9 9 PRO C C 9 176.700 176.700 176.359 0.341 19287 3547 1 13 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.982 -1.492 19287 3548 1 13 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.116 -1.756 19287 3549 1 13 . 1 1 10 10 SER N N 10 112.100 112.100 121.162 -9.062 19287 3550 1 13 . 1 1 10 10 SER HA H 10 4.630 4.630 4.426 0.204 19287 3551 1 13 . 1 1 10 10 SER C C 10 174.190 174.190 175.040 -0.850 19287 3552 1 13 . 1 1 10 10 SER CA C 10 55.360 55.360 56.825 -1.466 19287 3553 1 13 . 1 1 10 10 SER CB C 10 64.550 64.550 62.515 2.035 19287 3554 1 13 . 1 1 10 10 SER H H 10 7.450 7.450 8.463 -1.013 19287 3555 1 13 . 1 1 11 11 ALA N N 11 129.980 129.980 128.696 1.284 19287 3556 1 13 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.164 0.332 19287 3557 1 13 . 1 1 11 11 ALA C C 11 178.510 178.510 178.769 -0.259 19287 3558 1 13 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.297 1.513 19287 3559 1 13 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.899 1.011 19287 3560 1 13 . 1 1 11 11 ALA H H 11 9.210 9.210 8.209 1.001 19287 3561 1 13 . 1 1 12 12 GLY N N 12 104.410 104.410 105.430 -1.020 19287 3562 1 13 . 1 1 12 12 GLY C C 12 174.850 174.850 175.578 -0.728 19287 3563 1 13 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.930 -0.480 19287 3564 1 13 . 1 1 12 12 GLY H H 12 8.190 8.190 8.280 -0.090 19287 3565 1 13 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.636 -0.386 19287 3566 1 13 . 1 1 14 14 CYS C C 14 172.410 172.410 173.438 -1.028 19287 3567 1 13 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.934 1.816 19287 3568 1 13 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.421 8.709 19287 3569 1 13 . 1 1 15 15 PHE N N 15 116.000 116.000 123.909 -7.909 19287 3570 1 13 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.624 -0.244 19287 3571 1 13 . 1 1 15 15 PHE C C 15 174.300 174.300 174.601 -0.301 19287 3572 1 13 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.844 -1.014 19287 3573 1 13 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.903 0.537 19287 3574 1 13 . 1 1 15 15 PHE H H 15 7.960 7.960 8.679 -0.719 19287 3575 1 13 . 1 1 16 16 ALA N N 16 125.630 125.630 130.616 -4.986 19287 3576 1 13 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.632 -0.312 19287 3577 1 13 . 1 1 16 16 ALA C C 16 174.300 174.300 175.416 -1.116 19287 3578 1 13 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.910 -1.780 19287 3579 1 13 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.818 -2.638 19287 3580 1 13 . 1 1 16 16 ALA H H 16 7.800 7.800 8.093 -0.293 19287 3581 1 13 . 1 1 17 17 PHE N N 17 116.330 116.330 121.359 -5.029 19287 3582 1 13 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.619 -0.229 19287 3583 1 13 . 1 1 17 17 PHE C C 17 175.310 175.310 174.215 1.095 19287 3584 1 13 . 1 1 17 17 PHE CA C 17 57.160 57.160 56.196 0.964 19287 3585 1 13 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.018 -0.638 19287 3586 1 13 . 1 1 17 17 PHE H H 17 7.330 7.330 8.346 -1.016 19287 3587 1 13 . 1 1 18 18 VAL N N 18 122.890 122.890 124.455 -1.565 19287 3588 1 13 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.783 -0.308 19287 3589 1 13 . 1 1 18 18 VAL C C 18 173.590 173.590 173.740 -0.150 19287 3590 1 13 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.802 0.098 19287 3591 1 13 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.706 0.194 19287 3592 1 13 . 1 1 18 18 VAL H H 18 8.680 8.680 8.778 -0.098 19287 3593 1 13 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.636 -0.361 19287 3594 1 13 . 1 1 19 19 PRO C C 19 176.940 176.940 176.486 0.454 19287 3595 1 13 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.921 1.139 19287 3596 1 13 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.621 0.089 19287 3597 1 13 . 1 1 20 20 SER N N 20 120.230 120.230 119.322 0.908 19287 3598 1 13 . 1 1 20 20 SER HA H 20 4.780 4.780 4.781 -0.001 19287 3599 1 13 . 1 1 20 20 SER C C 20 170.900 170.900 173.292 -2.392 19287 3600 1 13 . 1 1 20 20 SER CA C 20 57.450 57.450 57.271 0.179 19287 3601 1 13 . 1 1 20 20 SER CB C 20 67.910 67.910 66.559 1.351 19287 3602 1 13 . 1 1 20 20 SER H H 20 8.390 8.390 7.885 0.505 19287 3603 1 13 . 1 1 21 21 TYR N N 21 118.220 118.220 118.491 -0.271 19287 3604 1 13 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.271 0.329 19287 3605 1 13 . 1 1 21 21 TYR C C 21 173.770 173.770 175.434 -1.664 19287 3606 1 13 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.233 -0.493 19287 3607 1 13 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.744 0.916 19287 3608 1 13 . 1 1 21 21 TYR H H 21 9.020 9.020 8.997 0.023 19287 3609 1 13 . 1 1 22 22 TYR N N 22 119.260 119.260 123.104 -3.844 19287 3610 1 13 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.710 0.400 19287 3611 1 13 . 1 1 22 22 TYR C C 22 172.610 172.610 174.229 -1.619 19287 3612 1 13 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.036 -0.656 19287 3613 1 13 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.963 -1.413 19287 3614 1 13 . 1 1 22 22 TYR H H 22 9.410 9.410 9.713 -0.303 19287 3615 1 13 . 1 1 23 23 TYR N N 23 123.200 123.200 123.723 -0.523 19287 3616 1 13 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.893 -0.511 19287 3617 1 13 . 1 1 23 23 TYR C C 23 173.250 173.250 174.104 -0.854 19287 3618 1 13 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.808 1.552 19287 3619 1 13 . 1 1 23 23 TYR CB C 23 39.570 39.570 40.898 -1.328 19287 3620 1 13 . 1 1 23 23 TYR H H 23 10.190 10.190 8.166 2.024 19287 3621 1 13 . 1 1 24 24 ASN N N 24 126.280 126.280 128.136 -1.856 19287 3622 1 13 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.926 -0.376 19287 3623 1 13 . 1 1 24 24 ASN C C 24 174.000 174.000 175.364 -1.364 19287 3624 1 13 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.645 -0.285 19287 3625 1 13 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.552 1.488 19287 3626 1 13 . 1 1 24 24 ASN H H 24 7.890 7.890 8.659 -0.769 19287 3627 1 13 . 1 1 25 25 GLN N N 25 122.760 122.760 123.040 -0.280 19287 3628 1 13 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.618 0.073 19287 3629 1 13 . 1 1 25 25 GLN C C 25 175.670 175.670 176.859 -1.189 19287 3630 1 13 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.338 -0.858 19287 3631 1 13 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.428 0.692 19287 3632 1 13 . 1 1 25 25 GLN H H 25 8.440 8.440 7.872 0.568 19287 3633 1 13 . 1 1 26 26 TYR N N 26 119.190 119.190 119.634 -0.444 19287 3634 1 13 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.268 -0.108 19287 3635 1 13 . 1 1 26 26 TYR C C 26 176.520 176.520 177.110 -0.590 19287 3636 1 13 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.137 0.033 19287 3637 1 13 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.613 -0.733 19287 3638 1 13 . 1 1 26 26 TYR H H 26 7.810 7.810 7.543 0.267 19287 3639 1 13 . 1 1 27 27 SER N N 27 109.600 109.600 112.477 -2.877 19287 3640 1 13 . 1 1 27 27 SER HA H 27 4.330 4.330 4.502 -0.172 19287 3641 1 13 . 1 1 27 27 SER C C 27 174.830 174.830 174.305 0.525 19287 3642 1 13 . 1 1 27 27 SER CA C 27 57.490 57.490 57.311 0.179 19287 3643 1 13 . 1 1 27 27 SER CB C 27 64.640 64.640 63.874 0.766 19287 3644 1 13 . 1 1 27 27 SER H H 27 7.350 7.350 7.682 -0.332 19287 3645 1 13 . 1 1 28 28 ASN N N 28 119.830 119.830 119.598 0.232 19287 3646 1 13 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.405 -0.345 19287 3647 1 13 . 1 1 28 28 ASN C C 28 173.040 173.040 174.066 -1.026 19287 3648 1 13 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.734 -0.904 19287 3649 1 13 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.127 -0.727 19287 3650 1 13 . 1 1 28 28 ASN H H 28 7.930 7.930 7.991 -0.061 19287 3651 1 13 . 1 1 29 29 THR N N 29 103.070 103.070 111.891 -8.821 19287 3652 1 13 . 1 1 29 29 THR HA H 29 4.441 4.441 4.723 -0.282 19287 3653 1 13 . 1 1 29 29 THR C C 29 172.980 172.980 172.060 0.920 19287 3654 1 13 . 1 1 29 29 THR CA C 29 58.920 58.920 61.488 -2.568 19287 3655 1 13 . 1 1 29 29 THR CB C 29 73.260 73.260 71.178 2.082 19287 3656 1 13 . 1 1 29 29 THR H H 29 6.990 6.990 7.837 -0.847 19287 3657 1 13 . 1 1 30 30 CYS N N 30 118.340 118.340 118.875 -0.535 19287 3658 1 13 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.302 0.160 19287 3659 1 13 . 1 1 30 30 CYS C C 30 173.320 173.320 173.485 -0.165 19287 3660 1 13 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.361 0.389 19287 3661 1 13 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.593 19.087 19287 3662 1 13 . 1 1 30 30 CYS H H 30 8.954 8.954 8.633 0.321 19287 3663 1 13 . 1 1 31 31 HIS N N 31 118.930 118.930 120.125 -1.195 19287 3664 1 13 . 1 1 31 31 HIS HA H 31 4.780 4.780 4.985 -0.205 19287 3665 1 13 . 1 1 31 31 HIS C C 31 172.790 172.790 173.513 -0.723 19287 3666 1 13 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.454 -1.924 19287 3667 1 13 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.371 -0.331 19287 3668 1 13 . 1 1 31 31 HIS H H 31 9.010 9.010 9.253 -0.243 19287 3669 1 13 . 1 1 32 32 SER N N 32 117.600 117.600 118.129 -0.529 19287 3670 1 13 . 1 1 32 32 SER HA H 32 4.700 4.700 4.283 0.417 19287 3671 1 13 . 1 1 32 32 SER C C 32 174.930 174.930 173.671 1.259 19287 3672 1 13 . 1 1 32 32 SER CA C 32 57.980 57.980 58.558 -0.578 19287 3673 1 13 . 1 1 32 32 SER CB C 32 64.440 64.440 63.515 0.925 19287 3674 1 13 . 1 1 32 32 SER H H 32 8.740 8.740 7.815 0.925 19287 3675 1 13 . 1 1 33 33 PHE N N 33 120.690 120.690 118.790 1.900 19287 3676 1 13 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.966 -0.176 19287 3677 1 13 . 1 1 33 33 PHE C C 33 171.810 171.810 173.594 -1.784 19287 3678 1 13 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.848 0.352 19287 3679 1 13 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.161 -0.931 19287 3680 1 13 . 1 1 33 33 PHE H H 33 8.830 8.830 9.105 -0.275 19287 3681 1 13 . 1 1 34 34 THR N N 34 116.650 116.650 112.481 4.169 19287 3682 1 13 . 1 1 34 34 THR HA H 34 3.965 3.965 4.316 -0.351 19287 3683 1 13 . 1 1 34 34 THR C C 34 172.600 172.600 172.336 0.264 19287 3684 1 13 . 1 1 34 34 THR CA C 34 61.980 61.980 60.811 1.169 19287 3685 1 13 . 1 1 34 34 THR CB C 34 68.530 68.530 69.324 -0.794 19287 3686 1 13 . 1 1 34 34 THR H H 34 8.400 8.400 8.168 0.232 19287 3687 1 13 . 1 1 35 35 TYR N N 35 127.790 127.790 124.934 2.856 19287 3688 1 13 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.493 0.007 19287 3689 1 13 . 1 1 35 35 TYR C C 35 174.200 174.200 175.093 -0.893 19287 3690 1 13 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.645 -1.515 19287 3691 1 13 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.213 -2.563 19287 3692 1 13 . 1 1 35 35 TYR H H 35 8.010 8.010 7.813 0.197 19287 3693 1 13 . 1 1 39 39 GLY N N 39 103.730 103.730 105.758 -2.028 19287 3694 1 13 . 1 1 39 39 GLY C C 39 175.700 175.700 172.832 2.868 19287 3695 1 13 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.526 0.843 19287 3696 1 13 . 1 1 39 39 GLY H H 39 8.500 8.500 7.354 1.146 19287 3697 1 13 . 1 1 40 40 GLY N N 40 110.170 110.170 107.215 2.955 19287 3698 1 13 . 1 1 40 40 GLY C C 40 173.140 173.140 172.629 0.511 19287 3699 1 13 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.594 -0.274 19287 3700 1 13 . 1 1 40 40 GLY H H 40 8.670 8.670 7.805 0.865 19287 3701 1 13 . 1 1 41 41 ASN N N 41 116.960 116.960 117.755 -0.795 19287 3702 1 13 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.930 -0.370 19287 3703 1 13 . 1 1 41 41 ASN C C 41 173.670 173.670 175.605 -1.935 19287 3704 1 13 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.000 -0.150 19287 3705 1 13 . 1 1 41 41 ASN CB C 41 40.230 40.230 39.907 0.323 19287 3706 1 13 . 1 1 41 41 ASN H H 41 8.790 8.790 8.761 0.029 19287 3707 1 13 . 1 1 42 42 ALA N N 42 113.290 113.290 122.683 -9.393 19287 3708 1 13 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.050 -0.330 19287 3709 1 13 . 1 1 42 42 ALA C C 42 177.220 177.220 178.412 -1.192 19287 3710 1 13 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.602 -1.792 19287 3711 1 13 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.447 -0.467 19287 3712 1 13 . 1 1 42 42 ALA H H 42 7.590 7.590 8.640 -1.050 19287 3713 1 13 . 1 1 43 43 ASN N N 43 117.710 117.710 115.330 2.380 19287 3714 1 13 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.488 0.212 19287 3715 1 13 . 1 1 43 43 ASN C C 43 173.660 173.660 175.057 -1.397 19287 3716 1 13 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.153 -3.523 19287 3717 1 13 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.472 -3.632 19287 3718 1 13 . 1 1 43 43 ASN H H 43 7.900 7.900 8.113 -0.213 19287 3719 1 13 . 1 1 44 44 ARG N N 44 120.690 120.690 120.100 0.590 19287 3720 1 13 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.575 0.117 19287 3721 1 13 . 1 1 44 44 ARG C C 44 173.530 173.530 175.097 -1.567 19287 3722 1 13 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.041 -0.381 19287 3723 1 13 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.175 1.275 19287 3724 1 13 . 1 1 44 44 ARG H H 44 6.860 6.860 7.102 -0.242 19287 3725 1 13 . 1 1 45 45 PHE N N 45 123.690 123.690 122.721 0.969 19287 3726 1 13 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.886 -0.076 19287 3727 1 13 . 1 1 45 45 PHE C C 45 175.420 175.420 175.349 0.071 19287 3728 1 13 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.889 -1.219 19287 3729 1 13 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.271 0.519 19287 3730 1 13 . 1 1 45 45 PHE H H 45 9.340 9.340 9.015 0.325 19287 3731 1 13 . 1 1 46 46 ARG N N 46 120.920 120.920 118.654 2.266 19287 3732 1 13 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.616 -0.219 19287 3733 1 13 . 1 1 46 46 ARG C C 46 176.560 176.560 175.671 0.889 19287 3734 1 13 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.314 1.896 19287 3735 1 13 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.604 0.296 19287 3736 1 13 . 1 1 46 46 ARG H H 46 9.080 9.080 8.754 0.326 19287 3737 1 13 . 1 1 47 47 THR N N 47 102.800 102.800 112.631 -9.831 19287 3738 1 13 . 1 1 47 47 THR HA H 47 4.660 4.660 3.397 1.263 19287 3739 1 13 . 1 1 47 47 THR C C 47 174.110 174.110 172.997 1.113 19287 3740 1 13 . 1 1 47 47 THR CA C 47 58.170 58.170 60.037 -1.867 19287 3741 1 13 . 1 1 47 47 THR CB C 47 72.380 72.380 70.403 1.977 19287 3742 1 13 . 1 1 47 47 THR H H 47 7.230 7.230 7.403 -0.173 19287 3743 1 13 . 1 1 48 48 ILE N N 48 123.200 123.200 123.792 -0.592 19287 3744 1 13 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.741 -0.840 19287 3745 1 13 . 1 1 48 48 ILE C C 48 176.420 176.420 175.829 0.591 19287 3746 1 13 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.199 0.801 19287 3747 1 13 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.399 -1.339 19287 3748 1 13 . 1 1 48 48 ILE H H 48 8.110 8.110 8.170 -0.060 19287 3749 1 13 . 1 1 49 49 ASP N N 49 119.560 119.560 120.051 -0.491 19287 3750 1 13 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.320 -0.190 19287 3751 1 13 . 1 1 49 49 ASP C C 49 177.740 177.740 178.725 -0.985 19287 3752 1 13 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.581 -0.891 19287 3753 1 13 . 1 1 49 49 ASP CB C 49 39.970 39.970 39.921 0.049 19287 3754 1 13 . 1 1 49 49 ASP H H 49 7.700 7.700 7.704 -0.004 19287 3755 1 13 . 1 1 50 50 GLU N N 50 117.720 117.720 119.850 -2.130 19287 3756 1 13 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.231 -0.521 19287 3757 1 13 . 1 1 50 50 GLU C C 50 177.550 177.550 178.392 -0.842 19287 3758 1 13 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.795 -0.246 19287 3759 1 13 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.789 -0.599 19287 3760 1 13 . 1 1 50 50 GLU H H 50 7.410 7.410 7.650 -0.240 19287 3761 1 13 . 1 1 51 51 CYS N N 51 120.260 120.260 119.262 0.998 19287 3762 1 13 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.063 -1.413 19287 3763 1 13 . 1 1 51 51 CYS C C 51 175.070 175.070 176.010 -0.940 19287 3764 1 13 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.277 -2.157 19287 3765 1 13 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.571 17.429 19287 3766 1 13 . 1 1 51 51 CYS H H 51 6.760 6.760 7.531 -0.771 19287 3767 1 13 . 1 1 52 52 ASN N N 52 120.160 120.160 119.336 0.824 19287 3768 1 13 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.356 -0.266 19287 3769 1 13 . 1 1 52 52 ASN C C 52 177.820 177.820 177.573 0.247 19287 3770 1 13 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.206 -1.146 19287 3771 1 13 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.140 -0.640 19287 3772 1 13 . 1 1 52 52 ASN H H 52 8.650 8.650 8.552 0.098 19287 3773 1 13 . 1 1 53 53 ARG N N 53 117.000 117.000 118.189 -1.189 19287 3774 1 13 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.057 -0.287 19287 3775 1 13 . 1 1 53 53 ARG C C 53 177.360 177.360 177.560 -0.200 19287 3776 1 13 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.661 -0.171 19287 3777 1 13 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.409 0.771 19287 3778 1 13 . 1 1 53 53 ARG H H 53 7.900 7.900 7.557 0.343 19287 3779 1 13 . 1 1 54 54 THR N N 54 112.080 112.080 112.248 -0.168 19287 3780 1 13 . 1 1 54 54 THR HA H 54 3.838 3.838 4.491 -0.653 19287 3781 1 13 . 1 1 54 54 THR C C 54 174.990 174.990 174.655 0.335 19287 3782 1 13 . 1 1 54 54 THR CA C 54 65.740 65.740 63.677 2.063 19287 3783 1 13 . 1 1 54 54 THR CB C 54 68.870 68.870 70.523 -1.653 19287 3784 1 13 . 1 1 54 54 THR H H 54 7.260 7.260 7.658 -0.398 19287 3785 1 13 . 1 1 55 55 CYS N N 55 112.540 112.540 118.008 -5.468 19287 3786 1 13 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.478 -0.078 19287 3787 1 13 . 1 1 55 55 CYS C C 55 172.940 172.940 173.807 -0.867 19287 3788 1 13 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.326 -4.096 19287 3789 1 13 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.092 13.838 19287 3790 1 13 . 1 1 55 55 CYS H H 55 7.590 7.590 8.104 -0.514 19287 3791 1 13 . 1 1 56 56 VAL N N 56 119.720 119.720 123.092 -3.372 19287 3792 1 13 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.184 -0.553 19287 3793 1 13 . 1 1 56 56 VAL C C 56 176.710 176.710 175.823 0.887 19287 3794 1 13 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.482 2.058 19287 3795 1 13 . 1 1 56 56 VAL CB C 56 30.970 30.970 31.672 -0.702 19287 3796 1 13 . 1 1 56 56 VAL H H 56 7.280 7.280 7.988 -0.708 19287 3797 1 14 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.497 -0.480 19287 3798 1 14 . 1 1 2 2 PRO C C 2 177.920 177.920 177.781 0.139 19287 3799 1 14 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.372 0.428 19287 3800 1 14 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.835 -0.785 19287 3801 1 14 . 1 1 3 3 ARG N N 3 122.340 122.340 123.446 -1.106 19287 3802 1 14 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.343 -0.557 19287 3803 1 14 . 1 1 3 3 ARG C C 3 178.950 178.950 177.559 1.391 19287 3804 1 14 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.248 0.161 19287 3805 1 14 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.101 0.119 19287 3806 1 14 . 1 1 3 3 ARG H H 3 8.550 8.550 8.918 -0.368 19287 3807 1 14 . 1 1 4 4 PHE N N 4 113.010 113.010 117.303 -4.293 19287 3808 1 14 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.508 -0.208 19287 3809 1 14 . 1 1 4 4 PHE C C 4 176.070 176.070 176.214 -0.144 19287 3810 1 14 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.285 -0.065 19287 3811 1 14 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.632 -0.321 19287 3812 1 14 . 1 1 4 4 PHE H H 4 7.150 7.150 7.786 -0.636 19287 3813 1 14 . 1 1 5 5 CYS N N 5 118.600 118.600 117.580 1.020 19287 3814 1 14 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.194 -0.064 19287 3815 1 14 . 1 1 5 5 CYS C C 5 173.450 173.450 174.392 -0.942 19287 3816 1 14 . 1 1 5 5 CYS CA C 5 57.960 57.960 59.391 -1.431 19287 3817 1 14 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.922 13.288 19287 3818 1 14 . 1 1 5 5 CYS H H 5 7.090 7.090 7.320 -0.230 19287 3819 1 14 . 1 1 6 6 GLU N N 6 110.710 110.710 118.674 -7.964 19287 3820 1 14 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.450 -0.268 19287 3821 1 14 . 1 1 6 6 GLU C C 6 176.310 176.310 176.048 0.262 19287 3822 1 14 . 1 1 6 6 GLU CA C 6 55.510 55.510 54.923 0.587 19287 3823 1 14 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.145 -0.985 19287 3824 1 14 . 1 1 6 6 GLU H H 6 7.300 7.300 7.501 -0.201 19287 3825 1 14 . 1 1 7 7 LEU N N 7 119.090 119.090 120.802 -1.712 19287 3826 1 14 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.344 -0.184 19287 3827 1 14 . 1 1 7 7 LEU C C 7 176.630 176.630 175.873 0.757 19287 3828 1 14 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.352 0.158 19287 3829 1 14 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.958 -0.628 19287 3830 1 14 . 1 1 7 7 LEU H H 7 7.210 7.210 7.146 0.064 19287 3831 1 14 . 1 1 8 8 ALA N N 8 124.490 124.490 121.788 2.702 19287 3832 1 14 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.696 -0.446 19287 3833 1 14 . 1 1 8 8 ALA C C 8 174.710 174.710 175.104 -0.394 19287 3834 1 14 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.677 1.533 19287 3835 1 14 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.455 -2.525 19287 3836 1 14 . 1 1 8 8 ALA H H 8 8.280 8.280 8.200 0.080 19287 3837 1 14 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.687 -0.507 19287 3838 1 14 . 1 1 9 9 PRO C C 9 176.700 176.700 176.377 0.323 19287 3839 1 14 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.800 -1.310 19287 3840 1 14 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.841 -1.481 19287 3841 1 14 . 1 1 10 10 SER N N 10 112.100 112.100 121.322 -9.222 19287 3842 1 14 . 1 1 10 10 SER HA H 10 4.630 4.630 4.375 0.255 19287 3843 1 14 . 1 1 10 10 SER C C 10 174.190 174.190 174.854 -0.664 19287 3844 1 14 . 1 1 10 10 SER CA C 10 55.360 55.360 56.605 -1.245 19287 3845 1 14 . 1 1 10 10 SER CB C 10 64.550 64.550 62.406 2.144 19287 3846 1 14 . 1 1 10 10 SER H H 10 7.450 7.450 8.484 -1.034 19287 3847 1 14 . 1 1 11 11 ALA N N 11 129.980 129.980 127.496 2.484 19287 3848 1 14 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.211 0.285 19287 3849 1 14 . 1 1 11 11 ALA C C 11 178.510 178.510 177.531 0.979 19287 3850 1 14 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.341 1.469 19287 3851 1 14 . 1 1 11 11 ALA CB C 11 19.910 19.910 19.006 0.904 19287 3852 1 14 . 1 1 11 11 ALA H H 11 9.210 9.210 7.870 1.340 19287 3853 1 14 . 1 1 12 12 GLY N N 12 104.410 104.410 103.546 0.864 19287 3854 1 14 . 1 1 12 12 GLY C C 12 174.850 174.850 175.510 -0.660 19287 3855 1 14 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.203 0.247 19287 3856 1 14 . 1 1 12 12 GLY H H 12 8.190 8.190 8.063 0.126 19287 3857 1 14 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.644 -0.394 19287 3858 1 14 . 1 1 14 14 CYS C C 14 172.410 172.410 173.973 -1.563 19287 3859 1 14 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.990 1.760 19287 3860 1 14 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.430 8.700 19287 3861 1 14 . 1 1 15 15 PHE N N 15 116.000 116.000 124.684 -8.684 19287 3862 1 14 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.627 -0.247 19287 3863 1 14 . 1 1 15 15 PHE C C 15 174.300 174.300 174.866 -0.566 19287 3864 1 14 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.022 -1.192 19287 3865 1 14 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.128 0.312 19287 3866 1 14 . 1 1 15 15 PHE H H 15 7.960 7.960 8.705 -0.745 19287 3867 1 14 . 1 1 16 16 ALA N N 16 125.630 125.630 130.785 -5.155 19287 3868 1 14 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.617 -0.297 19287 3869 1 14 . 1 1 16 16 ALA C C 16 174.300 174.300 175.341 -1.041 19287 3870 1 14 . 1 1 16 16 ALA CA C 16 50.130 50.130 52.031 -1.901 19287 3871 1 14 . 1 1 16 16 ALA CB C 16 19.180 19.180 22.008 -2.828 19287 3872 1 14 . 1 1 16 16 ALA H H 16 7.800 7.800 8.070 -0.270 19287 3873 1 14 . 1 1 17 17 PHE N N 17 116.330 116.330 122.272 -5.942 19287 3874 1 14 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.749 -0.359 19287 3875 1 14 . 1 1 17 17 PHE C C 17 175.310 175.310 173.825 1.485 19287 3876 1 14 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.218 1.942 19287 3877 1 14 . 1 1 17 17 PHE CB C 17 39.380 39.380 39.786 -0.406 19287 3878 1 14 . 1 1 17 17 PHE H H 17 7.330 7.330 8.418 -1.088 19287 3879 1 14 . 1 1 18 18 VAL N N 18 122.890 122.890 124.657 -1.767 19287 3880 1 14 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.647 -0.172 19287 3881 1 14 . 1 1 18 18 VAL C C 18 173.590 173.590 173.526 0.064 19287 3882 1 14 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.519 0.381 19287 3883 1 14 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.411 -0.511 19287 3884 1 14 . 1 1 18 18 VAL H H 18 8.680 8.680 8.535 0.145 19287 3885 1 14 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.795 -0.520 19287 3886 1 14 . 1 1 19 19 PRO C C 19 176.940 176.940 176.524 0.416 19287 3887 1 14 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.500 1.560 19287 3888 1 14 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.459 0.251 19287 3889 1 14 . 1 1 20 20 SER N N 20 120.230 120.230 119.382 0.848 19287 3890 1 14 . 1 1 20 20 SER HA H 20 4.780 4.780 4.779 0.001 19287 3891 1 14 . 1 1 20 20 SER C C 20 170.900 170.900 173.306 -2.406 19287 3892 1 14 . 1 1 20 20 SER CA C 20 57.450 57.450 57.049 0.401 19287 3893 1 14 . 1 1 20 20 SER CB C 20 67.910 67.910 66.803 1.107 19287 3894 1 14 . 1 1 20 20 SER H H 20 8.390 8.390 8.482 -0.092 19287 3895 1 14 . 1 1 21 21 TYR N N 21 118.220 118.220 119.130 -0.910 19287 3896 1 14 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.131 0.469 19287 3897 1 14 . 1 1 21 21 TYR C C 21 173.770 173.770 175.198 -1.428 19287 3898 1 14 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.160 -0.420 19287 3899 1 14 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.023 0.637 19287 3900 1 14 . 1 1 21 21 TYR H H 21 9.020 9.020 8.719 0.301 19287 3901 1 14 . 1 1 22 22 TYR N N 22 119.260 119.260 125.547 -6.287 19287 3902 1 14 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.728 0.382 19287 3903 1 14 . 1 1 22 22 TYR C C 22 172.610 172.610 173.736 -1.126 19287 3904 1 14 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.070 -0.690 19287 3905 1 14 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.878 -0.328 19287 3906 1 14 . 1 1 22 22 TYR H H 22 9.410 9.410 9.587 -0.177 19287 3907 1 14 . 1 1 23 23 TYR N N 23 123.200 123.200 130.144 -6.944 19287 3908 1 14 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.828 -0.446 19287 3909 1 14 . 1 1 23 23 TYR C C 23 173.250 173.250 174.217 -0.967 19287 3910 1 14 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.686 0.674 19287 3911 1 14 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.821 -0.251 19287 3912 1 14 . 1 1 23 23 TYR H H 23 10.190 10.190 8.856 1.334 19287 3913 1 14 . 1 1 24 24 ASN N N 24 126.280 126.280 127.144 -0.864 19287 3914 1 14 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.860 -0.310 19287 3915 1 14 . 1 1 24 24 ASN C C 24 174.000 174.000 174.997 -0.997 19287 3916 1 14 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.557 -0.197 19287 3917 1 14 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.969 1.071 19287 3918 1 14 . 1 1 24 24 ASN H H 24 7.890 7.890 8.813 -0.923 19287 3919 1 14 . 1 1 25 25 GLN N N 25 122.760 122.760 124.121 -1.361 19287 3920 1 14 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.589 0.102 19287 3921 1 14 . 1 1 25 25 GLN C C 25 175.670 175.670 176.619 -0.949 19287 3922 1 14 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.294 -0.814 19287 3923 1 14 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.858 0.263 19287 3924 1 14 . 1 1 25 25 GLN H H 25 8.440 8.440 8.189 0.251 19287 3925 1 14 . 1 1 26 26 TYR N N 26 119.190 119.190 119.880 -0.690 19287 3926 1 14 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.251 -0.091 19287 3927 1 14 . 1 1 26 26 TYR C C 26 176.520 176.520 177.165 -0.645 19287 3928 1 14 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.893 0.277 19287 3929 1 14 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.478 -0.598 19287 3930 1 14 . 1 1 26 26 TYR H H 26 7.810 7.810 7.531 0.279 19287 3931 1 14 . 1 1 27 27 SER N N 27 109.600 109.600 111.744 -2.144 19287 3932 1 14 . 1 1 27 27 SER HA H 27 4.330 4.330 4.488 -0.158 19287 3933 1 14 . 1 1 27 27 SER C C 27 174.830 174.830 174.246 0.584 19287 3934 1 14 . 1 1 27 27 SER CA C 27 57.490 57.490 57.538 -0.048 19287 3935 1 14 . 1 1 27 27 SER CB C 27 64.640 64.640 63.744 0.896 19287 3936 1 14 . 1 1 27 27 SER H H 27 7.350 7.350 7.704 -0.354 19287 3937 1 14 . 1 1 28 28 ASN N N 28 119.830 119.830 118.866 0.964 19287 3938 1 14 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.407 -0.347 19287 3939 1 14 . 1 1 28 28 ASN C C 28 173.040 173.040 174.154 -1.114 19287 3940 1 14 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.599 -0.768 19287 3941 1 14 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.220 -0.820 19287 3942 1 14 . 1 1 28 28 ASN H H 28 7.930 7.930 7.921 0.009 19287 3943 1 14 . 1 1 29 29 THR N N 29 103.070 103.070 111.729 -8.659 19287 3944 1 14 . 1 1 29 29 THR HA H 29 4.441 4.441 4.747 -0.306 19287 3945 1 14 . 1 1 29 29 THR C C 29 172.980 172.980 171.811 1.169 19287 3946 1 14 . 1 1 29 29 THR CA C 29 58.920 58.920 61.419 -2.499 19287 3947 1 14 . 1 1 29 29 THR CB C 29 73.260 73.260 71.623 1.637 19287 3948 1 14 . 1 1 29 29 THR H H 29 6.990 6.990 7.800 -0.810 19287 3949 1 14 . 1 1 30 30 CYS N N 30 118.340 118.340 120.394 -2.054 19287 3950 1 14 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.523 -0.061 19287 3951 1 14 . 1 1 30 30 CYS C C 30 173.320 173.320 173.645 -0.325 19287 3952 1 14 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.374 0.376 19287 3953 1 14 . 1 1 30 30 CYS CB C 30 50.680 50.680 30.190 20.490 19287 3954 1 14 . 1 1 30 30 CYS H H 30 8.954 8.954 8.676 0.278 19287 3955 1 14 . 1 1 31 31 HIS N N 31 118.930 118.930 123.252 -4.322 19287 3956 1 14 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.124 -0.344 19287 3957 1 14 . 1 1 31 31 HIS C C 31 172.790 172.790 173.607 -0.817 19287 3958 1 14 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.330 -1.800 19287 3959 1 14 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.403 -0.362 19287 3960 1 14 . 1 1 31 31 HIS H H 31 9.010 9.010 9.581 -0.571 19287 3961 1 14 . 1 1 32 32 SER N N 32 117.600 117.600 120.443 -2.843 19287 3962 1 14 . 1 1 32 32 SER HA H 32 4.700 4.700 4.378 0.322 19287 3963 1 14 . 1 1 32 32 SER C C 32 174.930 174.930 173.697 1.233 19287 3964 1 14 . 1 1 32 32 SER CA C 32 57.980 57.980 58.247 -0.267 19287 3965 1 14 . 1 1 32 32 SER CB C 32 64.440 64.440 63.362 1.078 19287 3966 1 14 . 1 1 32 32 SER H H 32 8.740 8.740 7.914 0.826 19287 3967 1 14 . 1 1 33 33 PHE N N 33 120.690 120.690 120.486 0.204 19287 3968 1 14 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.069 -0.279 19287 3969 1 14 . 1 1 33 33 PHE C C 33 171.810 171.810 173.405 -1.595 19287 3970 1 14 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.640 0.560 19287 3971 1 14 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.090 -0.860 19287 3972 1 14 . 1 1 33 33 PHE H H 33 8.830 8.830 9.007 -0.177 19287 3973 1 14 . 1 1 34 34 THR N N 34 116.650 116.650 111.372 5.278 19287 3974 1 14 . 1 1 34 34 THR HA H 34 3.965 3.965 4.256 -0.291 19287 3975 1 14 . 1 1 34 34 THR C C 34 172.600 172.600 172.600 0.000 19287 3976 1 14 . 1 1 34 34 THR CA C 34 61.980 61.980 60.858 1.122 19287 3977 1 14 . 1 1 34 34 THR CB C 34 68.530 68.530 69.139 -0.609 19287 3978 1 14 . 1 1 34 34 THR H H 34 8.400 8.400 8.282 0.118 19287 3979 1 14 . 1 1 35 35 TYR N N 35 127.790 127.790 127.737 0.053 19287 3980 1 14 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.689 -0.189 19287 3981 1 14 . 1 1 35 35 TYR C C 35 174.200 174.200 175.236 -1.036 19287 3982 1 14 . 1 1 35 35 TYR CA C 35 55.130 55.130 55.828 -0.698 19287 3983 1 14 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.091 -2.441 19287 3984 1 14 . 1 1 35 35 TYR H H 35 8.010 8.010 8.600 -0.590 19287 3985 1 14 . 1 1 39 39 GLY N N 39 103.730 103.730 108.550 -4.820 19287 3986 1 14 . 1 1 39 39 GLY C C 39 175.700 175.700 173.251 2.449 19287 3987 1 14 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.060 1.310 19287 3988 1 14 . 1 1 39 39 GLY H H 39 8.500 8.500 7.387 1.113 19287 3989 1 14 . 1 1 40 40 GLY N N 40 110.170 110.170 106.758 3.412 19287 3990 1 14 . 1 1 40 40 GLY C C 40 173.140 173.140 173.568 -0.428 19287 3991 1 14 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.480 -0.160 19287 3992 1 14 . 1 1 40 40 GLY H H 40 8.670 8.670 8.025 0.645 19287 3993 1 14 . 1 1 41 41 ASN N N 41 116.960 116.960 118.008 -1.048 19287 3994 1 14 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.964 -0.404 19287 3995 1 14 . 1 1 41 41 ASN C C 41 173.670 173.670 175.856 -2.186 19287 3996 1 14 . 1 1 41 41 ASN CA C 41 51.850 51.850 51.762 0.088 19287 3997 1 14 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.803 -0.573 19287 3998 1 14 . 1 1 41 41 ASN H H 41 8.790 8.790 8.703 0.087 19287 3999 1 14 . 1 1 42 42 ALA N N 42 113.290 113.290 122.355 -9.065 19287 4000 1 14 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.120 -0.400 19287 4001 1 14 . 1 1 42 42 ALA C C 42 177.220 177.220 177.919 -0.699 19287 4002 1 14 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.569 -1.759 19287 4003 1 14 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.487 -0.507 19287 4004 1 14 . 1 1 42 42 ALA H H 42 7.590 7.590 8.735 -1.145 19287 4005 1 14 . 1 1 43 43 ASN N N 43 117.710 117.710 114.279 3.431 19287 4006 1 14 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.695 0.005 19287 4007 1 14 . 1 1 43 43 ASN C C 43 173.660 173.660 175.270 -1.610 19287 4008 1 14 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.682 -3.052 19287 4009 1 14 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.788 -2.948 19287 4010 1 14 . 1 1 43 43 ASN H H 43 7.900 7.900 8.190 -0.290 19287 4011 1 14 . 1 1 44 44 ARG N N 44 120.690 120.690 121.252 -0.562 19287 4012 1 14 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.308 0.384 19287 4013 1 14 . 1 1 44 44 ARG C C 44 173.530 173.530 174.720 -1.190 19287 4014 1 14 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.066 -0.406 19287 4015 1 14 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.533 0.917 19287 4016 1 14 . 1 1 44 44 ARG H H 44 6.860 6.860 7.323 -0.463 19287 4017 1 14 . 1 1 45 45 PHE N N 45 123.690 123.690 123.212 0.478 19287 4018 1 14 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.860 -0.050 19287 4019 1 14 . 1 1 45 45 PHE C C 45 175.420 175.420 175.437 -0.017 19287 4020 1 14 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.895 -1.225 19287 4021 1 14 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.519 0.271 19287 4022 1 14 . 1 1 45 45 PHE H H 45 9.340 9.340 8.231 1.109 19287 4023 1 14 . 1 1 46 46 ARG N N 46 120.920 120.920 119.231 1.689 19287 4024 1 14 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.594 -0.197 19287 4025 1 14 . 1 1 46 46 ARG C C 46 176.560 176.560 175.761 0.799 19287 4026 1 14 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.103 2.107 19287 4027 1 14 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.607 0.293 19287 4028 1 14 . 1 1 46 46 ARG H H 46 9.080 9.080 8.845 0.235 19287 4029 1 14 . 1 1 47 47 THR N N 47 102.800 102.800 111.721 -8.921 19287 4030 1 14 . 1 1 47 47 THR HA H 47 4.660 4.660 3.895 0.765 19287 4031 1 14 . 1 1 47 47 THR C C 47 174.110 174.110 173.138 0.972 19287 4032 1 14 . 1 1 47 47 THR CA C 47 58.170 58.170 59.960 -1.790 19287 4033 1 14 . 1 1 47 47 THR CB C 47 72.380 72.380 70.446 1.934 19287 4034 1 14 . 1 1 47 47 THR H H 47 7.230 7.230 7.253 -0.023 19287 4035 1 14 . 1 1 48 48 ILE N N 48 123.200 123.200 123.658 -0.458 19287 4036 1 14 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.457 -0.556 19287 4037 1 14 . 1 1 48 48 ILE C C 48 176.420 176.420 176.036 0.384 19287 4038 1 14 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.714 0.286 19287 4039 1 14 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.064 -1.004 19287 4040 1 14 . 1 1 48 48 ILE H H 48 8.110 8.110 7.870 0.240 19287 4041 1 14 . 1 1 49 49 ASP N N 49 119.560 119.560 119.419 0.141 19287 4042 1 14 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.258 -0.128 19287 4043 1 14 . 1 1 49 49 ASP C C 49 177.740 177.740 178.346 -0.606 19287 4044 1 14 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.929 -1.239 19287 4045 1 14 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.611 -0.641 19287 4046 1 14 . 1 1 49 49 ASP H H 49 7.700 7.700 7.652 0.048 19287 4047 1 14 . 1 1 50 50 GLU N N 50 117.720 117.720 119.505 -1.785 19287 4048 1 14 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.218 -0.508 19287 4049 1 14 . 1 1 50 50 GLU C C 50 177.550 177.550 178.073 -0.523 19287 4050 1 14 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.599 -0.049 19287 4051 1 14 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.835 -0.645 19287 4052 1 14 . 1 1 50 50 GLU H H 50 7.410 7.410 7.564 -0.154 19287 4053 1 14 . 1 1 51 51 CYS N N 51 120.260 120.260 119.019 1.241 19287 4054 1 14 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.925 -1.275 19287 4055 1 14 . 1 1 51 51 CYS C C 51 175.070 175.070 176.304 -1.234 19287 4056 1 14 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.007 -1.887 19287 4057 1 14 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.886 17.114 19287 4058 1 14 . 1 1 51 51 CYS H H 51 6.760 6.760 7.724 -0.964 19287 4059 1 14 . 1 1 52 52 ASN N N 52 120.160 120.160 119.624 0.536 19287 4060 1 14 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.428 -0.338 19287 4061 1 14 . 1 1 52 52 ASN C C 52 177.820 177.820 177.762 0.058 19287 4062 1 14 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.877 -0.817 19287 4063 1 14 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.746 -0.246 19287 4064 1 14 . 1 1 52 52 ASN H H 52 8.650 8.650 8.543 0.107 19287 4065 1 14 . 1 1 53 53 ARG N N 53 117.000 117.000 118.002 -1.002 19287 4066 1 14 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.081 -0.311 19287 4067 1 14 . 1 1 53 53 ARG C C 53 177.360 177.360 177.845 -0.485 19287 4068 1 14 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.788 -0.298 19287 4069 1 14 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.555 0.625 19287 4070 1 14 . 1 1 53 53 ARG H H 53 7.900 7.900 7.656 0.244 19287 4071 1 14 . 1 1 54 54 THR N N 54 112.080 112.080 111.721 0.359 19287 4072 1 14 . 1 1 54 54 THR HA H 54 3.838 3.838 4.395 -0.557 19287 4073 1 14 . 1 1 54 54 THR C C 54 174.990 174.990 174.175 0.815 19287 4074 1 14 . 1 1 54 54 THR CA C 54 65.740 65.740 64.382 1.358 19287 4075 1 14 . 1 1 54 54 THR CB C 54 68.870 68.870 69.799 -0.929 19287 4076 1 14 . 1 1 54 54 THR H H 54 7.260 7.260 7.827 -0.567 19287 4077 1 14 . 1 1 55 55 CYS N N 55 112.540 112.540 116.948 -4.408 19287 4078 1 14 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.412 -0.012 19287 4079 1 14 . 1 1 55 55 CYS C C 55 172.940 172.940 174.505 -1.565 19287 4080 1 14 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.819 -4.589 19287 4081 1 14 . 1 1 55 55 CYS CB C 55 42.930 42.930 28.643 14.287 19287 4082 1 14 . 1 1 55 55 CYS H H 55 7.590 7.590 7.330 0.260 19287 4083 1 14 . 1 1 56 56 VAL N N 56 119.720 119.720 124.312 -4.592 19287 4084 1 14 . 1 1 56 56 VAL HA H 56 3.631 3.631 3.866 -0.235 19287 4085 1 14 . 1 1 56 56 VAL C C 56 176.710 176.710 175.770 0.940 19287 4086 1 14 . 1 1 56 56 VAL CA C 56 64.540 64.540 64.506 0.034 19287 4087 1 14 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.959 0.011 19287 4088 1 14 . 1 1 56 56 VAL H H 56 7.280 7.280 7.748 -0.468 19287 4089 1 15 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.457 -0.440 19287 4090 1 15 . 1 1 2 2 PRO C C 2 177.920 177.920 177.398 0.522 19287 4091 1 15 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.187 0.613 19287 4092 1 15 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.749 -0.699 19287 4093 1 15 . 1 1 3 3 ARG N N 3 122.340 122.340 120.087 2.253 19287 4094 1 15 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.995 -0.209 19287 4095 1 15 . 1 1 3 3 ARG C C 3 178.950 178.950 178.747 0.203 19287 4096 1 15 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.787 -0.377 19287 4097 1 15 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.720 -0.500 19287 4098 1 15 . 1 1 3 3 ARG H H 3 8.550 8.550 8.733 -0.183 19287 4099 1 15 . 1 1 4 4 PHE N N 4 113.010 113.010 118.124 -5.114 19287 4100 1 15 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.397 -0.097 19287 4101 1 15 . 1 1 4 4 PHE C C 4 176.070 176.070 176.813 -0.743 19287 4102 1 15 . 1 1 4 4 PHE CA C 4 58.220 58.220 59.838 -1.618 19287 4103 1 15 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.824 -0.514 19287 4104 1 15 . 1 1 4 4 PHE H H 4 7.150 7.150 7.994 -0.844 19287 4105 1 15 . 1 1 5 5 CYS N N 5 118.600 118.600 117.724 0.876 19287 4106 1 15 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.125 0.005 19287 4107 1 15 . 1 1 5 5 CYS C C 5 173.450 173.450 174.819 -1.369 19287 4108 1 15 . 1 1 5 5 CYS CA C 5 57.960 57.960 61.138 -3.178 19287 4109 1 15 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.336 13.874 19287 4110 1 15 . 1 1 5 5 CYS H H 5 7.090 7.090 7.120 -0.030 19287 4111 1 15 . 1 1 6 6 GLU N N 6 110.710 110.710 118.507 -7.797 19287 4112 1 15 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.320 -0.138 19287 4113 1 15 . 1 1 6 6 GLU C C 6 176.310 176.310 176.352 -0.042 19287 4114 1 15 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.682 -0.172 19287 4115 1 15 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.278 -1.118 19287 4116 1 15 . 1 1 6 6 GLU H H 6 7.300 7.300 7.632 -0.332 19287 4117 1 15 . 1 1 7 7 LEU N N 7 119.090 119.090 121.061 -1.971 19287 4118 1 15 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.265 -0.105 19287 4119 1 15 . 1 1 7 7 LEU C C 7 176.630 176.630 176.252 0.378 19287 4120 1 15 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.155 0.355 19287 4121 1 15 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.478 -0.148 19287 4122 1 15 . 1 1 7 7 LEU H H 7 7.210 7.210 7.326 -0.116 19287 4123 1 15 . 1 1 8 8 ALA N N 8 124.490 124.490 122.400 2.090 19287 4124 1 15 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.601 -0.351 19287 4125 1 15 . 1 1 8 8 ALA C C 8 174.710 174.710 175.412 -0.702 19287 4126 1 15 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.817 1.393 19287 4127 1 15 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.384 -2.454 19287 4128 1 15 . 1 1 8 8 ALA H H 8 8.280 8.280 8.229 0.051 19287 4129 1 15 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.464 -0.284 19287 4130 1 15 . 1 1 9 9 PRO C C 9 176.700 176.700 176.397 0.303 19287 4131 1 15 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.786 -1.296 19287 4132 1 15 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.314 -1.954 19287 4133 1 15 . 1 1 10 10 SER N N 10 112.100 112.100 122.264 -10.164 19287 4134 1 15 . 1 1 10 10 SER HA H 10 4.630 4.630 4.448 0.182 19287 4135 1 15 . 1 1 10 10 SER C C 10 174.190 174.190 174.812 -0.622 19287 4136 1 15 . 1 1 10 10 SER CA C 10 55.360 55.360 56.007 -0.647 19287 4137 1 15 . 1 1 10 10 SER CB C 10 64.550 64.550 61.883 2.667 19287 4138 1 15 . 1 1 10 10 SER H H 10 7.450 7.450 8.768 -1.318 19287 4139 1 15 . 1 1 11 11 ALA N N 11 129.980 129.980 124.317 5.663 19287 4140 1 15 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.133 0.363 19287 4141 1 15 . 1 1 11 11 ALA C C 11 178.510 178.510 178.991 -0.481 19287 4142 1 15 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.566 1.244 19287 4143 1 15 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.931 0.979 19287 4144 1 15 . 1 1 11 11 ALA H H 11 9.210 9.210 8.070 1.140 19287 4145 1 15 . 1 1 12 12 GLY N N 12 104.410 104.410 105.118 -0.708 19287 4146 1 15 . 1 1 12 12 GLY C C 12 174.850 174.850 175.267 -0.417 19287 4147 1 15 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.756 -0.306 19287 4148 1 15 . 1 1 12 12 GLY H H 12 8.190 8.190 8.418 -0.228 19287 4149 1 15 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.638 -0.388 19287 4150 1 15 . 1 1 14 14 CYS C C 14 172.410 172.410 173.450 -1.040 19287 4151 1 15 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.305 1.445 19287 4152 1 15 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.688 8.442 19287 4153 1 15 . 1 1 15 15 PHE N N 15 116.000 116.000 124.161 -8.161 19287 4154 1 15 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.534 -0.154 19287 4155 1 15 . 1 1 15 15 PHE C C 15 174.300 174.300 174.896 -0.596 19287 4156 1 15 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.099 -1.269 19287 4157 1 15 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.274 0.166 19287 4158 1 15 . 1 1 15 15 PHE H H 15 7.960 7.960 8.641 -0.681 19287 4159 1 15 . 1 1 16 16 ALA N N 16 125.630 125.630 130.143 -4.513 19287 4160 1 15 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.603 -0.283 19287 4161 1 15 . 1 1 16 16 ALA C C 16 174.300 174.300 175.495 -1.195 19287 4162 1 15 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.490 -1.360 19287 4163 1 15 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.351 -2.171 19287 4164 1 15 . 1 1 16 16 ALA H H 16 7.800 7.800 7.886 -0.086 19287 4165 1 15 . 1 1 17 17 PHE N N 17 116.330 116.330 122.369 -6.039 19287 4166 1 15 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.702 -0.312 19287 4167 1 15 . 1 1 17 17 PHE C C 17 175.310 175.310 174.103 1.207 19287 4168 1 15 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.776 1.384 19287 4169 1 15 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.952 -1.572 19287 4170 1 15 . 1 1 17 17 PHE H H 17 7.330 7.330 8.409 -1.079 19287 4171 1 15 . 1 1 18 18 VAL N N 18 122.890 122.890 124.581 -1.691 19287 4172 1 15 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.463 0.012 19287 4173 1 15 . 1 1 18 18 VAL C C 18 173.590 173.590 173.025 0.565 19287 4174 1 15 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.315 0.585 19287 4175 1 15 . 1 1 18 18 VAL CB C 18 33.900 33.900 34.257 -0.357 19287 4176 1 15 . 1 1 18 18 VAL H H 18 8.680 8.680 8.165 0.515 19287 4177 1 15 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.547 -0.272 19287 4178 1 15 . 1 1 19 19 PRO C C 19 176.940 176.940 176.254 0.686 19287 4179 1 15 . 1 1 19 19 PRO CA C 19 64.060 64.060 61.845 2.215 19287 4180 1 15 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.835 -0.125 19287 4181 1 15 . 1 1 20 20 SER N N 20 120.230 120.230 117.419 2.811 19287 4182 1 15 . 1 1 20 20 SER HA H 20 4.780 4.780 4.594 0.186 19287 4183 1 15 . 1 1 20 20 SER C C 20 170.900 170.900 172.973 -2.073 19287 4184 1 15 . 1 1 20 20 SER CA C 20 57.450 57.450 56.011 1.439 19287 4185 1 15 . 1 1 20 20 SER CB C 20 67.910 67.910 65.488 2.422 19287 4186 1 15 . 1 1 20 20 SER H H 20 8.390 8.390 7.858 0.532 19287 4187 1 15 . 1 1 21 21 TYR N N 21 118.220 118.220 119.627 -1.407 19287 4188 1 15 . 1 1 21 21 TYR HA H 21 5.600 5.600 4.866 0.734 19287 4189 1 15 . 1 1 21 21 TYR C C 21 173.770 173.770 174.518 -0.748 19287 4190 1 15 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.208 -0.468 19287 4191 1 15 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.730 0.930 19287 4192 1 15 . 1 1 21 21 TYR H H 21 9.020 9.020 8.651 0.369 19287 4193 1 15 . 1 1 22 22 TYR N N 22 119.260 119.260 124.536 -5.276 19287 4194 1 15 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.539 0.571 19287 4195 1 15 . 1 1 22 22 TYR C C 22 172.610 172.610 173.618 -1.008 19287 4196 1 15 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.107 -0.727 19287 4197 1 15 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.667 -1.117 19287 4198 1 15 . 1 1 22 22 TYR H H 22 9.410 9.410 9.523 -0.113 19287 4199 1 15 . 1 1 23 23 TYR N N 23 123.200 123.200 126.808 -3.608 19287 4200 1 15 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.948 -0.566 19287 4201 1 15 . 1 1 23 23 TYR C C 23 173.250 173.250 174.036 -0.786 19287 4202 1 15 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.585 0.775 19287 4203 1 15 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.003 -1.433 19287 4204 1 15 . 1 1 23 23 TYR H H 23 10.190 10.190 8.723 1.467 19287 4205 1 15 . 1 1 24 24 ASN N N 24 126.280 126.280 126.120 0.160 19287 4206 1 15 . 1 1 24 24 ASN HA H 24 4.550 4.550 5.026 -0.476 19287 4207 1 15 . 1 1 24 24 ASN C C 24 174.000 174.000 175.339 -1.339 19287 4208 1 15 . 1 1 24 24 ASN CA C 24 51.360 51.360 52.078 -0.718 19287 4209 1 15 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.347 0.693 19287 4210 1 15 . 1 1 24 24 ASN H H 24 7.890 7.890 8.374 -0.484 19287 4211 1 15 . 1 1 25 25 GLN N N 25 122.760 122.760 122.305 0.455 19287 4212 1 15 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.849 -0.158 19287 4213 1 15 . 1 1 25 25 GLN C C 25 175.670 175.670 176.749 -1.079 19287 4214 1 15 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.334 -0.854 19287 4215 1 15 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.823 0.297 19287 4216 1 15 . 1 1 25 25 GLN H H 25 8.440 8.440 8.371 0.069 19287 4217 1 15 . 1 1 26 26 TYR N N 26 119.190 119.190 119.382 -0.192 19287 4218 1 15 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.297 -0.137 19287 4219 1 15 . 1 1 26 26 TYR C C 26 176.520 176.520 176.948 -0.428 19287 4220 1 15 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.013 0.157 19287 4221 1 15 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.967 -1.087 19287 4222 1 15 . 1 1 26 26 TYR H H 26 7.810 7.810 7.853 -0.043 19287 4223 1 15 . 1 1 27 27 SER N N 27 109.600 109.600 113.203 -3.603 19287 4224 1 15 . 1 1 27 27 SER HA H 27 4.330 4.330 4.467 -0.137 19287 4225 1 15 . 1 1 27 27 SER C C 27 174.830 174.830 174.127 0.703 19287 4226 1 15 . 1 1 27 27 SER CA C 27 57.490 57.490 57.855 -0.365 19287 4227 1 15 . 1 1 27 27 SER CB C 27 64.640 64.640 64.006 0.634 19287 4228 1 15 . 1 1 27 27 SER H H 27 7.350 7.350 7.768 -0.418 19287 4229 1 15 . 1 1 28 28 ASN N N 28 119.830 119.830 118.273 1.557 19287 4230 1 15 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.310 -0.250 19287 4231 1 15 . 1 1 28 28 ASN C C 28 173.040 173.040 173.988 -0.948 19287 4232 1 15 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.264 -0.434 19287 4233 1 15 . 1 1 28 28 ASN CB C 28 37.400 37.400 37.731 -0.331 19287 4234 1 15 . 1 1 28 28 ASN H H 28 7.930 7.930 7.790 0.140 19287 4235 1 15 . 1 1 29 29 THR N N 29 103.070 103.070 112.544 -9.474 19287 4236 1 15 . 1 1 29 29 THR HA H 29 4.441 4.441 4.638 -0.197 19287 4237 1 15 . 1 1 29 29 THR C C 29 172.980 172.980 171.908 1.072 19287 4238 1 15 . 1 1 29 29 THR CA C 29 58.920 58.920 61.856 -2.936 19287 4239 1 15 . 1 1 29 29 THR CB C 29 73.260 73.260 71.196 2.064 19287 4240 1 15 . 1 1 29 29 THR H H 29 6.990 6.990 7.530 -0.540 19287 4241 1 15 . 1 1 30 30 CYS N N 30 118.340 118.340 119.342 -1.002 19287 4242 1 15 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.366 0.096 19287 4243 1 15 . 1 1 30 30 CYS C C 30 173.320 173.320 173.436 -0.116 19287 4244 1 15 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.636 0.114 19287 4245 1 15 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.335 19.345 19287 4246 1 15 . 1 1 30 30 CYS H H 30 8.954 8.954 8.666 0.288 19287 4247 1 15 . 1 1 31 31 HIS N N 31 118.930 118.930 121.094 -2.164 19287 4248 1 15 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.109 -0.329 19287 4249 1 15 . 1 1 31 31 HIS C C 31 172.790 172.790 174.139 -1.349 19287 4250 1 15 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.109 -1.579 19287 4251 1 15 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.000 0.040 19287 4252 1 15 . 1 1 31 31 HIS H H 31 9.010 9.010 9.681 -0.671 19287 4253 1 15 . 1 1 32 32 SER N N 32 117.600 117.600 120.746 -3.146 19287 4254 1 15 . 1 1 32 32 SER HA H 32 4.700 4.700 4.325 0.375 19287 4255 1 15 . 1 1 32 32 SER C C 32 174.930 174.930 173.863 1.067 19287 4256 1 15 . 1 1 32 32 SER CA C 32 57.980 57.980 60.057 -2.077 19287 4257 1 15 . 1 1 32 32 SER CB C 32 64.440 64.440 63.360 1.080 19287 4258 1 15 . 1 1 32 32 SER H H 32 8.740 8.740 8.440 0.300 19287 4259 1 15 . 1 1 33 33 PHE N N 33 120.690 120.690 121.635 -0.945 19287 4260 1 15 . 1 1 33 33 PHE HA H 33 4.790 4.790 4.936 -0.146 19287 4261 1 15 . 1 1 33 33 PHE C C 33 171.810 171.810 173.639 -1.829 19287 4262 1 15 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.807 0.393 19287 4263 1 15 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.236 -1.006 19287 4264 1 15 . 1 1 33 33 PHE H H 33 8.830 8.830 8.909 -0.079 19287 4265 1 15 . 1 1 34 34 THR N N 34 116.650 116.650 112.241 4.409 19287 4266 1 15 . 1 1 34 34 THR HA H 34 3.965 3.965 4.164 -0.199 19287 4267 1 15 . 1 1 34 34 THR C C 34 172.600 172.600 172.587 0.013 19287 4268 1 15 . 1 1 34 34 THR CA C 34 61.980 61.980 61.126 0.854 19287 4269 1 15 . 1 1 34 34 THR CB C 34 68.530 68.530 69.801 -1.271 19287 4270 1 15 . 1 1 34 34 THR H H 34 8.400 8.400 8.182 0.218 19287 4271 1 15 . 1 1 35 35 TYR N N 35 127.790 127.790 125.436 2.354 19287 4272 1 15 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.760 -0.260 19287 4273 1 15 . 1 1 35 35 TYR C C 35 174.200 174.200 173.927 0.273 19287 4274 1 15 . 1 1 35 35 TYR CA C 35 55.130 55.130 55.993 -0.863 19287 4275 1 15 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.901 -2.251 19287 4276 1 15 . 1 1 35 35 TYR H H 35 8.010 8.010 8.652 -0.642 19287 4277 1 15 . 1 1 39 39 GLY N N 39 103.730 103.730 110.355 -6.625 19287 4278 1 15 . 1 1 39 39 GLY C C 39 175.700 175.700 174.444 1.256 19287 4279 1 15 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.392 -0.022 19287 4280 1 15 . 1 1 39 39 GLY H H 39 8.500 8.500 8.510 -0.010 19287 4281 1 15 . 1 1 40 40 GLY N N 40 110.170 110.170 109.849 0.321 19287 4282 1 15 . 1 1 40 40 GLY C C 40 173.140 173.140 173.203 -0.063 19287 4283 1 15 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.938 -0.618 19287 4284 1 15 . 1 1 40 40 GLY H H 40 8.670 8.670 8.106 0.564 19287 4285 1 15 . 1 1 41 41 ASN N N 41 116.960 116.960 118.049 -1.089 19287 4286 1 15 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.925 -0.365 19287 4287 1 15 . 1 1 41 41 ASN C C 41 173.670 173.670 175.707 -2.037 19287 4288 1 15 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.271 -0.421 19287 4289 1 15 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.669 -0.439 19287 4290 1 15 . 1 1 41 41 ASN H H 41 8.790 8.790 8.360 0.430 19287 4291 1 15 . 1 1 42 42 ALA N N 42 113.290 113.290 122.839 -9.549 19287 4292 1 15 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.161 -0.441 19287 4293 1 15 . 1 1 42 42 ALA C C 42 177.220 177.220 178.278 -1.058 19287 4294 1 15 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.656 -1.846 19287 4295 1 15 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.597 -0.617 19287 4296 1 15 . 1 1 42 42 ALA H H 42 7.590 7.590 8.656 -1.066 19287 4297 1 15 . 1 1 43 43 ASN N N 43 117.710 117.710 115.777 1.933 19287 4298 1 15 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.472 0.228 19287 4299 1 15 . 1 1 43 43 ASN C C 43 173.660 173.660 174.724 -1.064 19287 4300 1 15 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.562 -3.933 19287 4301 1 15 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.111 -3.271 19287 4302 1 15 . 1 1 43 43 ASN H H 43 7.900 7.900 8.057 -0.157 19287 4303 1 15 . 1 1 44 44 ARG N N 44 120.690 120.690 120.112 0.578 19287 4304 1 15 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.003 0.689 19287 4305 1 15 . 1 1 44 44 ARG C C 44 173.530 173.530 174.641 -1.111 19287 4306 1 15 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.566 0.094 19287 4307 1 15 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.540 1.910 19287 4308 1 15 . 1 1 44 44 ARG H H 44 6.860 6.860 7.398 -0.538 19287 4309 1 15 . 1 1 45 45 PHE N N 45 123.690 123.690 122.465 1.225 19287 4310 1 15 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.945 -0.135 19287 4311 1 15 . 1 1 45 45 PHE C C 45 175.420 175.420 175.507 -0.087 19287 4312 1 15 . 1 1 45 45 PHE CA C 45 55.670 55.670 55.837 -0.167 19287 4313 1 15 . 1 1 45 45 PHE CB C 45 43.790 43.790 41.449 2.341 19287 4314 1 15 . 1 1 45 45 PHE H H 45 9.340 9.340 8.076 1.264 19287 4315 1 15 . 1 1 46 46 ARG N N 46 120.920 120.920 117.666 3.254 19287 4316 1 15 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.549 -0.152 19287 4317 1 15 . 1 1 46 46 ARG C C 46 176.560 176.560 176.257 0.303 19287 4318 1 15 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.426 1.784 19287 4319 1 15 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.564 0.336 19287 4320 1 15 . 1 1 46 46 ARG H H 46 9.080 9.080 8.789 0.291 19287 4321 1 15 . 1 1 47 47 THR N N 47 102.800 102.800 111.856 -9.056 19287 4322 1 15 . 1 1 47 47 THR HA H 47 4.660 4.660 4.151 0.509 19287 4323 1 15 . 1 1 47 47 THR C C 47 174.110 174.110 173.247 0.863 19287 4324 1 15 . 1 1 47 47 THR CA C 47 58.170 58.170 60.900 -2.730 19287 4325 1 15 . 1 1 47 47 THR CB C 47 72.380 72.380 70.271 2.109 19287 4326 1 15 . 1 1 47 47 THR H H 47 7.230 7.230 7.511 -0.281 19287 4327 1 15 . 1 1 48 48 ILE N N 48 123.200 123.200 124.842 -1.642 19287 4328 1 15 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.584 -0.683 19287 4329 1 15 . 1 1 48 48 ILE C C 48 176.420 176.420 176.001 0.419 19287 4330 1 15 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.810 0.190 19287 4331 1 15 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.304 -1.244 19287 4332 1 15 . 1 1 48 48 ILE H H 48 8.110 8.110 7.962 0.148 19287 4333 1 15 . 1 1 49 49 ASP N N 49 119.560 119.560 118.894 0.666 19287 4334 1 15 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.223 -0.092 19287 4335 1 15 . 1 1 49 49 ASP C C 49 177.740 177.740 178.590 -0.850 19287 4336 1 15 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.591 -0.901 19287 4337 1 15 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.007 -0.037 19287 4338 1 15 . 1 1 49 49 ASP H H 49 7.700 7.700 8.080 -0.380 19287 4339 1 15 . 1 1 50 50 GLU N N 50 117.720 117.720 119.347 -1.627 19287 4340 1 15 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.268 -0.558 19287 4341 1 15 . 1 1 50 50 GLU C C 50 177.550 177.550 178.160 -0.610 19287 4342 1 15 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.283 0.266 19287 4343 1 15 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.831 -0.641 19287 4344 1 15 . 1 1 50 50 GLU H H 50 7.410 7.410 7.601 -0.191 19287 4345 1 15 . 1 1 51 51 CYS N N 51 120.260 120.260 120.132 0.128 19287 4346 1 15 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.693 -2.043 19287 4347 1 15 . 1 1 51 51 CYS C C 51 175.070 175.070 176.441 -1.371 19287 4348 1 15 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.542 -2.422 19287 4349 1 15 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.957 17.043 19287 4350 1 15 . 1 1 51 51 CYS H H 51 6.760 6.760 7.729 -0.969 19287 4351 1 15 . 1 1 52 52 ASN N N 52 120.160 120.160 119.382 0.778 19287 4352 1 15 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.497 -0.407 19287 4353 1 15 . 1 1 52 52 ASN C C 52 177.820 177.820 177.978 -0.158 19287 4354 1 15 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.831 -0.771 19287 4355 1 15 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.096 -0.597 19287 4356 1 15 . 1 1 52 52 ASN H H 52 8.650 8.650 8.636 0.014 19287 4357 1 15 . 1 1 53 53 ARG N N 53 117.000 117.000 118.489 -1.489 19287 4358 1 15 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.057 -0.287 19287 4359 1 15 . 1 1 53 53 ARG C C 53 177.360 177.360 177.715 -0.355 19287 4360 1 15 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.620 -0.129 19287 4361 1 15 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.495 0.685 19287 4362 1 15 . 1 1 53 53 ARG H H 53 7.900 7.900 7.567 0.333 19287 4363 1 15 . 1 1 54 54 THR N N 54 112.080 112.080 112.272 -0.192 19287 4364 1 15 . 1 1 54 54 THR HA H 54 3.838 3.838 4.458 -0.620 19287 4365 1 15 . 1 1 54 54 THR C C 54 174.990 174.990 174.324 0.666 19287 4366 1 15 . 1 1 54 54 THR CA C 54 65.740 65.740 64.469 1.271 19287 4367 1 15 . 1 1 54 54 THR CB C 54 68.870 68.870 69.876 -1.006 19287 4368 1 15 . 1 1 54 54 THR H H 54 7.260 7.260 8.044 -0.784 19287 4369 1 15 . 1 1 55 55 CYS N N 55 112.540 112.540 117.046 -4.506 19287 4370 1 15 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.470 -0.070 19287 4371 1 15 . 1 1 55 55 CYS C C 55 172.940 172.940 174.240 -1.300 19287 4372 1 15 . 1 1 55 55 CYS CA C 55 54.230 54.230 59.033 -4.803 19287 4373 1 15 . 1 1 55 55 CYS CB C 55 42.930 42.930 28.846 14.085 19287 4374 1 15 . 1 1 55 55 CYS H H 55 7.590 7.590 7.411 0.179 19287 4375 1 15 . 1 1 56 56 VAL N N 56 119.720 119.720 123.592 -3.872 19287 4376 1 15 . 1 1 56 56 VAL HA H 56 3.631 3.631 3.971 -0.340 19287 4377 1 15 . 1 1 56 56 VAL C C 56 176.710 176.710 176.650 0.060 19287 4378 1 15 . 1 1 56 56 VAL CA C 56 64.540 64.540 64.196 0.344 19287 4379 1 15 . 1 1 56 56 VAL CB C 56 30.970 30.970 31.809 -0.839 19287 4380 1 15 . 1 1 56 56 VAL H H 56 7.280 7.280 7.705 -0.425 19287 4381 1 16 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.430 -0.413 19287 4382 1 16 . 1 1 2 2 PRO C C 2 177.920 177.920 177.808 0.112 19287 4383 1 16 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.169 0.631 19287 4384 1 16 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.781 -0.731 19287 4385 1 16 . 1 1 3 3 ARG N N 3 122.340 122.340 122.145 0.195 19287 4386 1 16 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.017 -0.231 19287 4387 1 16 . 1 1 3 3 ARG C C 3 178.950 178.950 178.026 0.924 19287 4388 1 16 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.278 0.132 19287 4389 1 16 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.160 0.060 19287 4390 1 16 . 1 1 3 3 ARG H H 3 8.550 8.550 8.891 -0.341 19287 4391 1 16 . 1 1 4 4 PHE N N 4 113.010 113.010 117.206 -4.196 19287 4392 1 16 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.518 -0.218 19287 4393 1 16 . 1 1 4 4 PHE C C 4 176.070 176.070 176.503 -0.433 19287 4394 1 16 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.604 -0.384 19287 4395 1 16 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.864 -0.554 19287 4396 1 16 . 1 1 4 4 PHE H H 4 7.150 7.150 7.857 -0.707 19287 4397 1 16 . 1 1 5 5 CYS N N 5 118.600 118.600 117.793 0.807 19287 4398 1 16 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.296 -0.166 19287 4399 1 16 . 1 1 5 5 CYS C C 5 173.450 173.450 174.650 -1.200 19287 4400 1 16 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.248 -2.288 19287 4401 1 16 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.283 13.927 19287 4402 1 16 . 1 1 5 5 CYS H H 5 7.090 7.090 7.284 -0.194 19287 4403 1 16 . 1 1 6 6 GLU N N 6 110.710 110.710 117.816 -7.106 19287 4404 1 16 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.408 -0.226 19287 4405 1 16 . 1 1 6 6 GLU C C 6 176.310 176.310 176.313 -0.003 19287 4406 1 16 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.235 0.275 19287 4407 1 16 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.034 -0.874 19287 4408 1 16 . 1 1 6 6 GLU H H 6 7.300 7.300 7.470 -0.170 19287 4409 1 16 . 1 1 7 7 LEU N N 7 119.090 119.090 120.970 -1.880 19287 4410 1 16 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.258 -0.098 19287 4411 1 16 . 1 1 7 7 LEU C C 7 176.630 176.630 176.013 0.617 19287 4412 1 16 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.478 0.032 19287 4413 1 16 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.605 -0.275 19287 4414 1 16 . 1 1 7 7 LEU H H 7 7.210 7.210 7.173 0.037 19287 4415 1 16 . 1 1 8 8 ALA N N 8 124.490 124.490 121.900 2.590 19287 4416 1 16 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.651 -0.401 19287 4417 1 16 . 1 1 8 8 ALA C C 8 174.710 174.710 175.303 -0.593 19287 4418 1 16 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.858 1.352 19287 4419 1 16 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.317 -2.387 19287 4420 1 16 . 1 1 8 8 ALA H H 8 8.280 8.280 8.229 0.051 19287 4421 1 16 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.605 -0.425 19287 4422 1 16 . 1 1 9 9 PRO C C 9 176.700 176.700 176.812 -0.112 19287 4423 1 16 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.608 -1.118 19287 4424 1 16 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.977 -1.617 19287 4425 1 16 . 1 1 10 10 SER N N 10 112.100 112.100 122.760 -10.660 19287 4426 1 16 . 1 1 10 10 SER HA H 10 4.630 4.630 4.417 0.213 19287 4427 1 16 . 1 1 10 10 SER C C 10 174.190 174.190 175.251 -1.061 19287 4428 1 16 . 1 1 10 10 SER CA C 10 55.360 55.360 56.590 -1.230 19287 4429 1 16 . 1 1 10 10 SER CB C 10 64.550 64.550 61.888 2.662 19287 4430 1 16 . 1 1 10 10 SER H H 10 7.450 7.450 9.079 -1.629 19287 4431 1 16 . 1 1 11 11 ALA N N 11 129.980 129.980 124.862 5.118 19287 4432 1 16 . 1 1 11 11 ALA HA H 11 4.496 4.496 3.867 0.629 19287 4433 1 16 . 1 1 11 11 ALA C C 11 178.510 178.510 178.992 -0.482 19287 4434 1 16 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.805 0.005 19287 4435 1 16 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.436 1.474 19287 4436 1 16 . 1 1 11 11 ALA H H 11 9.210 9.210 8.183 1.027 19287 4437 1 16 . 1 1 12 12 GLY N N 12 104.410 104.410 105.777 -1.367 19287 4438 1 16 . 1 1 12 12 GLY C C 12 174.850 174.850 175.775 -0.925 19287 4439 1 16 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.994 -1.544 19287 4440 1 16 . 1 1 12 12 GLY H H 12 8.190 8.190 8.498 -0.308 19287 4441 1 16 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.661 -0.411 19287 4442 1 16 . 1 1 14 14 CYS C C 14 172.410 172.410 172.973 -0.563 19287 4443 1 16 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.664 1.086 19287 4444 1 16 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.898 8.232 19287 4445 1 16 . 1 1 15 15 PHE N N 15 116.000 116.000 125.994 -9.994 19287 4446 1 16 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.662 -0.282 19287 4447 1 16 . 1 1 15 15 PHE C C 15 174.300 174.300 174.094 0.206 19287 4448 1 16 . 1 1 15 15 PHE CA C 15 56.830 56.830 56.092 0.738 19287 4449 1 16 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.419 1.021 19287 4450 1 16 . 1 1 15 15 PHE H H 15 7.960 7.960 8.654 -0.694 19287 4451 1 16 . 1 1 16 16 ALA N N 16 125.630 125.630 131.082 -5.452 19287 4452 1 16 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.190 0.130 19287 4453 1 16 . 1 1 16 16 ALA C C 16 174.300 174.300 175.286 -0.986 19287 4454 1 16 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.596 -1.466 19287 4455 1 16 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.774 -2.594 19287 4456 1 16 . 1 1 16 16 ALA H H 16 7.800 7.800 8.058 -0.258 19287 4457 1 16 . 1 1 17 17 PHE N N 17 116.330 116.330 121.697 -5.367 19287 4458 1 16 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.761 -0.371 19287 4459 1 16 . 1 1 17 17 PHE C C 17 175.310 175.310 174.004 1.306 19287 4460 1 16 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.639 1.521 19287 4461 1 16 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.270 -1.890 19287 4462 1 16 . 1 1 17 17 PHE H H 17 7.330 7.330 8.326 -0.996 19287 4463 1 16 . 1 1 18 18 VAL N N 18 122.890 122.890 124.995 -2.105 19287 4464 1 16 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.690 -0.215 19287 4465 1 16 . 1 1 18 18 VAL C C 18 173.590 173.590 173.475 0.115 19287 4466 1 16 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.834 0.066 19287 4467 1 16 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.555 0.345 19287 4468 1 16 . 1 1 18 18 VAL H H 18 8.680 8.680 8.729 -0.049 19287 4469 1 16 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.626 -0.351 19287 4470 1 16 . 1 1 19 19 PRO C C 19 176.940 176.940 176.311 0.629 19287 4471 1 16 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.764 1.296 19287 4472 1 16 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.497 0.212 19287 4473 1 16 . 1 1 20 20 SER N N 20 120.230 120.230 117.867 2.363 19287 4474 1 16 . 1 1 20 20 SER HA H 20 4.780 4.780 4.640 0.140 19287 4475 1 16 . 1 1 20 20 SER C C 20 170.900 170.900 173.083 -2.183 19287 4476 1 16 . 1 1 20 20 SER CA C 20 57.450 57.450 56.049 1.401 19287 4477 1 16 . 1 1 20 20 SER CB C 20 67.910 67.910 65.593 2.317 19287 4478 1 16 . 1 1 20 20 SER H H 20 8.390 8.390 7.788 0.602 19287 4479 1 16 . 1 1 21 21 TYR N N 21 118.220 118.220 119.654 -1.434 19287 4480 1 16 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.141 0.459 19287 4481 1 16 . 1 1 21 21 TYR C C 21 173.770 173.770 174.822 -1.052 19287 4482 1 16 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.108 -0.368 19287 4483 1 16 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.789 0.871 19287 4484 1 16 . 1 1 21 21 TYR H H 21 9.020 9.020 8.672 0.348 19287 4485 1 16 . 1 1 22 22 TYR N N 22 119.260 119.260 125.307 -6.047 19287 4486 1 16 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.898 0.212 19287 4487 1 16 . 1 1 22 22 TYR C C 22 172.610 172.610 174.087 -1.477 19287 4488 1 16 . 1 1 22 22 TYR CA C 22 55.380 55.380 55.458 -0.078 19287 4489 1 16 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.675 -1.125 19287 4490 1 16 . 1 1 22 22 TYR H H 22 9.410 9.410 9.660 -0.250 19287 4491 1 16 . 1 1 23 23 TYR N N 23 123.200 123.200 127.948 -4.748 19287 4492 1 16 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.997 -0.615 19287 4493 1 16 . 1 1 23 23 TYR C C 23 173.250 173.250 174.400 -1.150 19287 4494 1 16 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.448 0.912 19287 4495 1 16 . 1 1 23 23 TYR CB C 23 39.570 39.570 40.267 -0.697 19287 4496 1 16 . 1 1 23 23 TYR H H 23 10.190 10.190 8.857 1.333 19287 4497 1 16 . 1 1 24 24 ASN N N 24 126.280 126.280 128.091 -1.811 19287 4498 1 16 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.976 -0.426 19287 4499 1 16 . 1 1 24 24 ASN C C 24 174.000 174.000 175.529 -1.529 19287 4500 1 16 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.564 -0.204 19287 4501 1 16 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.229 1.811 19287 4502 1 16 . 1 1 24 24 ASN H H 24 7.890 7.890 8.655 -0.765 19287 4503 1 16 . 1 1 25 25 GLN N N 25 122.760 122.760 123.182 -0.422 19287 4504 1 16 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.626 0.065 19287 4505 1 16 . 1 1 25 25 GLN C C 25 175.670 175.670 176.886 -1.216 19287 4506 1 16 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.426 -0.946 19287 4507 1 16 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.586 0.534 19287 4508 1 16 . 1 1 25 25 GLN H H 25 8.440 8.440 8.042 0.398 19287 4509 1 16 . 1 1 26 26 TYR N N 26 119.190 119.190 119.034 0.156 19287 4510 1 16 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.313 -0.153 19287 4511 1 16 . 1 1 26 26 TYR C C 26 176.520 176.520 176.658 -0.138 19287 4512 1 16 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.898 0.272 19287 4513 1 16 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.721 -0.841 19287 4514 1 16 . 1 1 26 26 TYR H H 26 7.810 7.810 7.703 0.107 19287 4515 1 16 . 1 1 27 27 SER N N 27 109.600 109.600 112.390 -2.790 19287 4516 1 16 . 1 1 27 27 SER HA H 27 4.330 4.330 4.562 -0.232 19287 4517 1 16 . 1 1 27 27 SER C C 27 174.830 174.830 173.687 1.143 19287 4518 1 16 . 1 1 27 27 SER CA C 27 57.490 57.490 57.457 0.033 19287 4519 1 16 . 1 1 27 27 SER CB C 27 64.640 64.640 64.045 0.595 19287 4520 1 16 . 1 1 27 27 SER H H 27 7.350 7.350 7.564 -0.214 19287 4521 1 16 . 1 1 28 28 ASN N N 28 119.830 119.830 118.669 1.161 19287 4522 1 16 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.322 -0.262 19287 4523 1 16 . 1 1 28 28 ASN C C 28 173.040 173.040 174.395 -1.355 19287 4524 1 16 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.664 -0.834 19287 4525 1 16 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.064 -0.664 19287 4526 1 16 . 1 1 28 28 ASN H H 28 7.930 7.930 7.896 0.034 19287 4527 1 16 . 1 1 29 29 THR N N 29 103.070 103.070 110.012 -6.942 19287 4528 1 16 . 1 1 29 29 THR HA H 29 4.441 4.441 4.689 -0.248 19287 4529 1 16 . 1 1 29 29 THR C C 29 172.980 172.980 172.317 0.663 19287 4530 1 16 . 1 1 29 29 THR CA C 29 58.920 58.920 61.244 -2.324 19287 4531 1 16 . 1 1 29 29 THR CB C 29 73.260 73.260 71.268 1.992 19287 4532 1 16 . 1 1 29 29 THR H H 29 6.990 6.990 7.665 -0.675 19287 4533 1 16 . 1 1 30 30 CYS N N 30 118.340 118.340 118.911 -0.571 19287 4534 1 16 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.668 -0.206 19287 4535 1 16 . 1 1 30 30 CYS C C 30 173.320 173.320 173.681 -0.361 19287 4536 1 16 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.188 0.562 19287 4537 1 16 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.676 19.004 19287 4538 1 16 . 1 1 30 30 CYS H H 30 8.954 8.954 8.605 0.349 19287 4539 1 16 . 1 1 31 31 HIS N N 31 118.930 118.930 119.935 -1.005 19287 4540 1 16 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.098 -0.318 19287 4541 1 16 . 1 1 31 31 HIS C C 31 172.790 172.790 173.598 -0.808 19287 4542 1 16 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.445 -1.915 19287 4543 1 16 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.472 -0.432 19287 4544 1 16 . 1 1 31 31 HIS H H 31 9.010 9.010 9.665 -0.655 19287 4545 1 16 . 1 1 32 32 SER N N 32 117.600 117.600 120.702 -3.102 19287 4546 1 16 . 1 1 32 32 SER HA H 32 4.700 4.700 4.449 0.251 19287 4547 1 16 . 1 1 32 32 SER C C 32 174.930 174.930 173.812 1.118 19287 4548 1 16 . 1 1 32 32 SER CA C 32 57.980 57.980 58.697 -0.717 19287 4549 1 16 . 1 1 32 32 SER CB C 32 64.440 64.440 63.075 1.365 19287 4550 1 16 . 1 1 32 32 SER H H 32 8.740 8.740 8.279 0.461 19287 4551 1 16 . 1 1 33 33 PHE N N 33 120.690 120.690 120.351 0.339 19287 4552 1 16 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.063 -0.273 19287 4553 1 16 . 1 1 33 33 PHE C C 33 171.810 171.810 173.684 -1.874 19287 4554 1 16 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.869 0.331 19287 4555 1 16 . 1 1 33 33 PHE CB C 33 40.230 40.230 42.100 -1.871 19287 4556 1 16 . 1 1 33 33 PHE H H 33 8.830 8.830 8.865 -0.035 19287 4557 1 16 . 1 1 34 34 THR N N 34 116.650 116.650 111.964 4.686 19287 4558 1 16 . 1 1 34 34 THR HA H 34 3.965 3.965 4.413 -0.448 19287 4559 1 16 . 1 1 34 34 THR C C 34 172.600 172.600 172.515 0.085 19287 4560 1 16 . 1 1 34 34 THR CA C 34 61.980 61.980 60.447 1.533 19287 4561 1 16 . 1 1 34 34 THR CB C 34 68.530 68.530 69.763 -1.234 19287 4562 1 16 . 1 1 34 34 THR H H 34 8.400 8.400 8.177 0.223 19287 4563 1 16 . 1 1 35 35 TYR N N 35 127.790 127.790 126.111 1.679 19287 4564 1 16 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.741 -0.241 19287 4565 1 16 . 1 1 35 35 TYR C C 35 174.200 174.200 173.392 0.808 19287 4566 1 16 . 1 1 35 35 TYR CA C 35 55.130 55.130 57.004 -1.874 19287 4567 1 16 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.288 -2.638 19287 4568 1 16 . 1 1 35 35 TYR H H 35 8.010 8.010 8.097 -0.087 19287 4569 1 16 . 1 1 39 39 GLY N N 39 103.730 103.730 108.374 -4.644 19287 4570 1 16 . 1 1 39 39 GLY C C 39 175.700 175.700 172.955 2.745 19287 4571 1 16 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.911 0.459 19287 4572 1 16 . 1 1 39 39 GLY H H 39 8.500 8.500 7.344 1.156 19287 4573 1 16 . 1 1 40 40 GLY N N 40 110.170 110.170 108.296 1.874 19287 4574 1 16 . 1 1 40 40 GLY C C 40 173.140 173.140 172.209 0.931 19287 4575 1 16 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.599 -0.279 19287 4576 1 16 . 1 1 40 40 GLY H H 40 8.670 8.670 7.778 0.892 19287 4577 1 16 . 1 1 41 41 ASN N N 41 116.960 116.960 116.490 0.470 19287 4578 1 16 . 1 1 41 41 ASN HA H 41 4.560 4.560 5.074 -0.514 19287 4579 1 16 . 1 1 41 41 ASN C C 41 173.670 173.670 175.764 -2.094 19287 4580 1 16 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.129 -0.279 19287 4581 1 16 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.005 0.225 19287 4582 1 16 . 1 1 41 41 ASN H H 41 8.790 8.790 8.549 0.241 19287 4583 1 16 . 1 1 42 42 ALA N N 42 113.290 113.290 121.934 -8.644 19287 4584 1 16 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.135 -0.415 19287 4585 1 16 . 1 1 42 42 ALA C C 42 177.220 177.220 178.286 -1.066 19287 4586 1 16 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.789 -1.979 19287 4587 1 16 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.756 -0.776 19287 4588 1 16 . 1 1 42 42 ALA H H 42 7.590 7.590 8.662 -1.072 19287 4589 1 16 . 1 1 43 43 ASN N N 43 117.710 117.710 115.040 2.670 19287 4590 1 16 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.466 0.234 19287 4591 1 16 . 1 1 43 43 ASN C C 43 173.660 173.660 173.859 -0.199 19287 4592 1 16 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.490 -2.860 19287 4593 1 16 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.013 -3.173 19287 4594 1 16 . 1 1 43 43 ASN H H 43 7.900 7.900 8.126 -0.226 19287 4595 1 16 . 1 1 44 44 ARG N N 44 120.690 120.690 119.141 1.549 19287 4596 1 16 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.124 0.568 19287 4597 1 16 . 1 1 44 44 ARG C C 44 173.530 173.530 174.468 -0.938 19287 4598 1 16 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.010 0.650 19287 4599 1 16 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.774 1.676 19287 4600 1 16 . 1 1 44 44 ARG H H 44 6.860 6.860 6.929 -0.069 19287 4601 1 16 . 1 1 45 45 PHE N N 45 123.690 123.690 122.837 0.853 19287 4602 1 16 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.974 -0.164 19287 4603 1 16 . 1 1 45 45 PHE C C 45 175.420 175.420 175.561 -0.141 19287 4604 1 16 . 1 1 45 45 PHE CA C 45 55.670 55.670 55.941 -0.271 19287 4605 1 16 . 1 1 45 45 PHE CB C 45 43.790 43.790 41.448 2.342 19287 4606 1 16 . 1 1 45 45 PHE H H 45 9.340 9.340 8.180 1.160 19287 4607 1 16 . 1 1 46 46 ARG N N 46 120.920 120.920 118.066 2.854 19287 4608 1 16 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.573 -0.176 19287 4609 1 16 . 1 1 46 46 ARG C C 46 176.560 176.560 176.268 0.292 19287 4610 1 16 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.480 1.730 19287 4611 1 16 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.717 0.183 19287 4612 1 16 . 1 1 46 46 ARG H H 46 9.080 9.080 8.774 0.306 19287 4613 1 16 . 1 1 47 47 THR N N 47 102.800 102.800 112.508 -9.708 19287 4614 1 16 . 1 1 47 47 THR HA H 47 4.660 4.660 4.341 0.319 19287 4615 1 16 . 1 1 47 47 THR C C 47 174.110 174.110 173.050 1.060 19287 4616 1 16 . 1 1 47 47 THR CA C 47 58.170 58.170 60.142 -1.972 19287 4617 1 16 . 1 1 47 47 THR CB C 47 72.380 72.380 70.461 1.919 19287 4618 1 16 . 1 1 47 47 THR H H 47 7.230 7.230 7.566 -0.336 19287 4619 1 16 . 1 1 48 48 ILE N N 48 123.200 123.200 123.708 -0.508 19287 4620 1 16 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.601 -0.700 19287 4621 1 16 . 1 1 48 48 ILE C C 48 176.420 176.420 176.149 0.271 19287 4622 1 16 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.226 0.774 19287 4623 1 16 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.014 -0.954 19287 4624 1 16 . 1 1 48 48 ILE H H 48 8.110 8.110 7.922 0.188 19287 4625 1 16 . 1 1 49 49 ASP N N 49 119.560 119.560 119.623 -0.063 19287 4626 1 16 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.238 -0.108 19287 4627 1 16 . 1 1 49 49 ASP C C 49 177.740 177.740 178.160 -0.420 19287 4628 1 16 . 1 1 49 49 ASP CA C 49 56.690 56.690 58.219 -1.529 19287 4629 1 16 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.618 -0.648 19287 4630 1 16 . 1 1 49 49 ASP H H 49 7.700 7.700 7.787 -0.087 19287 4631 1 16 . 1 1 50 50 GLU N N 50 117.720 117.720 119.843 -2.123 19287 4632 1 16 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.179 -0.469 19287 4633 1 16 . 1 1 50 50 GLU C C 50 177.550 177.550 178.312 -0.762 19287 4634 1 16 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.778 -0.228 19287 4635 1 16 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.651 -0.461 19287 4636 1 16 . 1 1 50 50 GLU H H 50 7.410 7.410 7.635 -0.225 19287 4637 1 16 . 1 1 51 51 CYS N N 51 120.260 120.260 119.162 1.098 19287 4638 1 16 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.668 -2.018 19287 4639 1 16 . 1 1 51 51 CYS C C 51 175.070 175.070 176.516 -1.446 19287 4640 1 16 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.761 -2.641 19287 4641 1 16 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.195 16.805 19287 4642 1 16 . 1 1 51 51 CYS H H 51 6.760 6.760 7.947 -1.187 19287 4643 1 16 . 1 1 52 52 ASN N N 52 120.160 120.160 119.331 0.829 19287 4644 1 16 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.475 -0.385 19287 4645 1 16 . 1 1 52 52 ASN C C 52 177.820 177.820 177.700 0.120 19287 4646 1 16 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.993 -0.933 19287 4647 1 16 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.147 -0.647 19287 4648 1 16 . 1 1 52 52 ASN H H 52 8.650 8.650 8.542 0.108 19287 4649 1 16 . 1 1 53 53 ARG N N 53 117.000 117.000 118.300 -1.300 19287 4650 1 16 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.059 -0.289 19287 4651 1 16 . 1 1 53 53 ARG C C 53 177.360 177.360 177.709 -0.349 19287 4652 1 16 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.541 -0.051 19287 4653 1 16 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.469 0.711 19287 4654 1 16 . 1 1 53 53 ARG H H 53 7.900 7.900 7.690 0.210 19287 4655 1 16 . 1 1 54 54 THR N N 54 112.080 112.080 112.098 -0.018 19287 4656 1 16 . 1 1 54 54 THR HA H 54 3.838 3.838 4.465 -0.627 19287 4657 1 16 . 1 1 54 54 THR C C 54 174.990 174.990 174.251 0.739 19287 4658 1 16 . 1 1 54 54 THR CA C 54 65.740 65.740 64.279 1.461 19287 4659 1 16 . 1 1 54 54 THR CB C 54 68.870 68.870 69.978 -1.109 19287 4660 1 16 . 1 1 54 54 THR H H 54 7.260 7.260 7.922 -0.662 19287 4661 1 16 . 1 1 55 55 CYS N N 55 112.540 112.540 116.796 -4.256 19287 4662 1 16 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.433 -0.033 19287 4663 1 16 . 1 1 55 55 CYS C C 55 172.940 172.940 174.015 -1.075 19287 4664 1 16 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.779 -4.549 19287 4665 1 16 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.367 13.563 19287 4666 1 16 . 1 1 55 55 CYS H H 55 7.590 7.590 7.475 0.115 19287 4667 1 16 . 1 1 56 56 VAL N N 56 119.720 119.720 123.642 -3.922 19287 4668 1 16 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.043 -0.412 19287 4669 1 16 . 1 1 56 56 VAL C C 56 176.710 176.710 176.199 0.511 19287 4670 1 16 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.764 0.776 19287 4671 1 16 . 1 1 56 56 VAL CB C 56 30.970 30.970 31.383 -0.413 19287 4672 1 16 . 1 1 56 56 VAL H H 56 7.280 7.280 7.869 -0.589 19287 4673 1 17 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.474 -0.457 19287 4674 1 17 . 1 1 2 2 PRO C C 2 177.920 177.920 177.311 0.609 19287 4675 1 17 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.095 0.705 19287 4676 1 17 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.584 -0.534 19287 4677 1 17 . 1 1 3 3 ARG N N 3 122.340 122.340 119.367 2.973 19287 4678 1 17 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.192 -0.406 19287 4679 1 17 . 1 1 3 3 ARG C C 3 178.950 178.950 178.355 0.595 19287 4680 1 17 . 1 1 3 3 ARG CA C 3 58.410 58.410 57.286 1.124 19287 4681 1 17 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.284 -0.064 19287 4682 1 17 . 1 1 3 3 ARG H H 3 8.550 8.550 8.780 -0.230 19287 4683 1 17 . 1 1 4 4 PHE N N 4 113.010 113.010 119.374 -6.364 19287 4684 1 17 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.403 -0.103 19287 4685 1 17 . 1 1 4 4 PHE C C 4 176.070 176.070 175.687 0.383 19287 4686 1 17 . 1 1 4 4 PHE CA C 4 58.220 58.220 59.410 -1.190 19287 4687 1 17 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.430 -0.120 19287 4688 1 17 . 1 1 4 4 PHE H H 4 7.150 7.150 7.963 -0.813 19287 4689 1 17 . 1 1 5 5 CYS N N 5 118.600 118.600 113.012 5.588 19287 4690 1 17 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.622 -0.492 19287 4691 1 17 . 1 1 5 5 CYS C C 5 173.450 173.450 176.096 -2.646 19287 4692 1 17 . 1 1 5 5 CYS CA C 5 57.960 57.960 57.929 0.030 19287 4693 1 17 . 1 1 5 5 CYS CB C 5 39.210 39.210 27.068 12.142 19287 4694 1 17 . 1 1 5 5 CYS H H 5 7.090 7.090 7.182 -0.092 19287 4695 1 17 . 1 1 6 6 GLU N N 6 110.710 110.710 121.192 -10.482 19287 4696 1 17 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.421 -0.239 19287 4697 1 17 . 1 1 6 6 GLU C C 6 176.310 176.310 176.341 -0.031 19287 4698 1 17 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.529 -0.019 19287 4699 1 17 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.188 -1.028 19287 4700 1 17 . 1 1 6 6 GLU H H 6 7.300 7.300 7.643 -0.343 19287 4701 1 17 . 1 1 7 7 LEU N N 7 119.090 119.090 121.199 -2.109 19287 4702 1 17 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.162 -0.002 19287 4703 1 17 . 1 1 7 7 LEU C C 7 176.630 176.630 176.210 0.420 19287 4704 1 17 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.630 -0.120 19287 4705 1 17 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.206 0.124 19287 4706 1 17 . 1 1 7 7 LEU H H 7 7.210 7.210 7.162 0.048 19287 4707 1 17 . 1 1 8 8 ALA N N 8 124.490 124.490 121.901 2.589 19287 4708 1 17 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.692 -0.442 19287 4709 1 17 . 1 1 8 8 ALA C C 8 174.710 174.710 175.660 -0.950 19287 4710 1 17 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.702 1.508 19287 4711 1 17 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.407 -2.477 19287 4712 1 17 . 1 1 8 8 ALA H H 8 8.280 8.280 8.220 0.060 19287 4713 1 17 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.565 -0.385 19287 4714 1 17 . 1 1 9 9 PRO C C 9 176.700 176.700 176.525 0.175 19287 4715 1 17 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.972 -1.482 19287 4716 1 17 . 1 1 9 9 PRO CB C 9 30.360 30.360 32.355 -1.995 19287 4717 1 17 . 1 1 10 10 SER N N 10 112.100 112.100 121.866 -9.766 19287 4718 1 17 . 1 1 10 10 SER HA H 10 4.630 4.630 4.423 0.207 19287 4719 1 17 . 1 1 10 10 SER C C 10 174.190 174.190 175.008 -0.818 19287 4720 1 17 . 1 1 10 10 SER CA C 10 55.360 55.360 56.300 -0.940 19287 4721 1 17 . 1 1 10 10 SER CB C 10 64.550 64.550 62.112 2.438 19287 4722 1 17 . 1 1 10 10 SER H H 10 7.450 7.450 8.671 -1.221 19287 4723 1 17 . 1 1 11 11 ALA N N 11 129.980 129.980 126.110 3.870 19287 4724 1 17 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.251 0.245 19287 4725 1 17 . 1 1 11 11 ALA C C 11 178.510 178.510 177.525 0.985 19287 4726 1 17 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.384 1.426 19287 4727 1 17 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.925 0.985 19287 4728 1 17 . 1 1 11 11 ALA H H 11 9.210 9.210 8.013 1.197 19287 4729 1 17 . 1 1 12 12 GLY N N 12 104.410 104.410 103.986 0.424 19287 4730 1 17 . 1 1 12 12 GLY C C 12 174.850 174.850 175.430 -0.580 19287 4731 1 17 . 1 1 12 12 GLY CA C 12 44.450 44.450 44.255 0.195 19287 4732 1 17 . 1 1 12 12 GLY H H 12 8.190 8.190 7.898 0.292 19287 4733 1 17 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.572 -0.322 19287 4734 1 17 . 1 1 14 14 CYS C C 14 172.410 172.410 173.598 -1.188 19287 4735 1 17 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.795 1.954 19287 4736 1 17 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.278 8.852 19287 4737 1 17 . 1 1 15 15 PHE N N 15 116.000 116.000 123.943 -7.943 19287 4738 1 17 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.537 -0.157 19287 4739 1 17 . 1 1 15 15 PHE C C 15 174.300 174.300 174.706 -0.406 19287 4740 1 17 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.143 -1.313 19287 4741 1 17 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.391 0.049 19287 4742 1 17 . 1 1 15 15 PHE H H 15 7.960 7.960 8.610 -0.650 19287 4743 1 17 . 1 1 16 16 ALA N N 16 125.630 125.630 130.332 -4.702 19287 4744 1 17 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.450 -0.130 19287 4745 1 17 . 1 1 16 16 ALA C C 16 174.300 174.300 175.344 -1.044 19287 4746 1 17 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.274 -1.144 19287 4747 1 17 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.239 -2.059 19287 4748 1 17 . 1 1 16 16 ALA H H 16 7.800 7.800 7.832 -0.032 19287 4749 1 17 . 1 1 17 17 PHE N N 17 116.330 116.330 122.577 -6.247 19287 4750 1 17 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.660 -0.270 19287 4751 1 17 . 1 1 17 17 PHE C C 17 175.310 175.310 173.886 1.424 19287 4752 1 17 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.871 1.288 19287 4753 1 17 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.876 -1.496 19287 4754 1 17 . 1 1 17 17 PHE H H 17 7.330 7.330 8.291 -0.961 19287 4755 1 17 . 1 1 18 18 VAL N N 18 122.890 122.890 124.782 -1.892 19287 4756 1 17 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.240 0.235 19287 4757 1 17 . 1 1 18 18 VAL C C 18 173.590 173.590 173.226 0.364 19287 4758 1 17 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.309 0.591 19287 4759 1 17 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.501 0.399 19287 4760 1 17 . 1 1 18 18 VAL H H 18 8.680 8.680 8.089 0.591 19287 4761 1 17 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.565 -0.290 19287 4762 1 17 . 1 1 19 19 PRO C C 19 176.940 176.940 176.392 0.548 19287 4763 1 17 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.457 1.603 19287 4764 1 17 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.775 -0.065 19287 4765 1 17 . 1 1 20 20 SER N N 20 120.230 120.230 117.760 2.470 19287 4766 1 17 . 1 1 20 20 SER HA H 20 4.780 4.780 4.663 0.117 19287 4767 1 17 . 1 1 20 20 SER C C 20 170.900 170.900 172.781 -1.881 19287 4768 1 17 . 1 1 20 20 SER CA C 20 57.450 57.450 56.176 1.274 19287 4769 1 17 . 1 1 20 20 SER CB C 20 67.910 67.910 65.793 2.117 19287 4770 1 17 . 1 1 20 20 SER H H 20 8.390 8.390 7.877 0.513 19287 4771 1 17 . 1 1 21 21 TYR N N 21 118.220 118.220 119.654 -1.434 19287 4772 1 17 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.149 0.451 19287 4773 1 17 . 1 1 21 21 TYR C C 21 173.770 173.770 175.034 -1.264 19287 4774 1 17 . 1 1 21 21 TYR CA C 21 57.740 57.740 57.976 -0.236 19287 4775 1 17 . 1 1 21 21 TYR CB C 21 42.660 42.660 42.097 0.563 19287 4776 1 17 . 1 1 21 21 TYR H H 21 9.020 9.020 8.470 0.550 19287 4777 1 17 . 1 1 22 22 TYR N N 22 119.260 119.260 125.480 -6.220 19287 4778 1 17 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.912 0.198 19287 4779 1 17 . 1 1 22 22 TYR C C 22 172.610 172.610 173.885 -1.275 19287 4780 1 17 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.148 -0.768 19287 4781 1 17 . 1 1 22 22 TYR CB C 22 41.550 41.550 41.709 -0.160 19287 4782 1 17 . 1 1 22 22 TYR H H 22 9.410 9.410 9.532 -0.122 19287 4783 1 17 . 1 1 23 23 TYR N N 23 123.200 123.200 130.075 -6.875 19287 4784 1 17 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.873 -0.491 19287 4785 1 17 . 1 1 23 23 TYR C C 23 173.250 173.250 174.493 -1.243 19287 4786 1 17 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.209 1.151 19287 4787 1 17 . 1 1 23 23 TYR CB C 23 39.570 39.570 39.101 0.469 19287 4788 1 17 . 1 1 23 23 TYR H H 23 10.190 10.190 8.674 1.516 19287 4789 1 17 . 1 1 24 24 ASN N N 24 126.280 126.280 128.344 -2.064 19287 4790 1 17 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.792 -0.242 19287 4791 1 17 . 1 1 24 24 ASN C C 24 174.000 174.000 175.273 -1.273 19287 4792 1 17 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.739 -0.379 19287 4793 1 17 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.465 1.575 19287 4794 1 17 . 1 1 24 24 ASN H H 24 7.890 7.890 8.571 -0.681 19287 4795 1 17 . 1 1 25 25 GLN N N 25 122.760 122.760 123.342 -0.582 19287 4796 1 17 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.648 0.043 19287 4797 1 17 . 1 1 25 25 GLN C C 25 175.670 175.670 176.901 -1.231 19287 4798 1 17 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.090 -0.610 19287 4799 1 17 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.617 0.503 19287 4800 1 17 . 1 1 25 25 GLN H H 25 8.440 8.440 7.748 0.692 19287 4801 1 17 . 1 1 26 26 TYR N N 26 119.190 119.190 118.932 0.258 19287 4802 1 17 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.336 -0.176 19287 4803 1 17 . 1 1 26 26 TYR C C 26 176.520 176.520 176.812 -0.292 19287 4804 1 17 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.721 0.449 19287 4805 1 17 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.632 -0.752 19287 4806 1 17 . 1 1 26 26 TYR H H 26 7.810 7.810 7.788 0.022 19287 4807 1 17 . 1 1 27 27 SER N N 27 109.600 109.600 111.997 -2.397 19287 4808 1 17 . 1 1 27 27 SER HA H 27 4.330 4.330 4.569 -0.239 19287 4809 1 17 . 1 1 27 27 SER C C 27 174.830 174.830 174.065 0.765 19287 4810 1 17 . 1 1 27 27 SER CA C 27 57.490 57.490 57.197 0.294 19287 4811 1 17 . 1 1 27 27 SER CB C 27 64.640 64.640 64.002 0.638 19287 4812 1 17 . 1 1 27 27 SER H H 27 7.350 7.350 7.531 -0.181 19287 4813 1 17 . 1 1 28 28 ASN N N 28 119.830 119.830 118.978 0.852 19287 4814 1 17 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.449 -0.389 19287 4815 1 17 . 1 1 28 28 ASN C C 28 173.040 173.040 174.334 -1.294 19287 4816 1 17 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.784 -0.954 19287 4817 1 17 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.014 -0.614 19287 4818 1 17 . 1 1 28 28 ASN H H 28 7.930 7.930 7.851 0.079 19287 4819 1 17 . 1 1 29 29 THR N N 29 103.070 103.070 110.535 -7.465 19287 4820 1 17 . 1 1 29 29 THR HA H 29 4.441 4.441 4.674 -0.233 19287 4821 1 17 . 1 1 29 29 THR C C 29 172.980 172.980 171.813 1.167 19287 4822 1 17 . 1 1 29 29 THR CA C 29 58.920 58.920 61.307 -2.387 19287 4823 1 17 . 1 1 29 29 THR CB C 29 73.260 73.260 70.745 2.515 19287 4824 1 17 . 1 1 29 29 THR H H 29 6.990 6.990 7.667 -0.677 19287 4825 1 17 . 1 1 30 30 CYS N N 30 118.340 118.340 120.679 -2.339 19287 4826 1 17 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.583 -0.121 19287 4827 1 17 . 1 1 30 30 CYS C C 30 173.320 173.320 173.269 0.051 19287 4828 1 17 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.792 -0.042 19287 4829 1 17 . 1 1 30 30 CYS CB C 30 50.680 50.680 30.518 20.162 19287 4830 1 17 . 1 1 30 30 CYS H H 30 8.954 8.954 8.681 0.273 19287 4831 1 17 . 1 1 31 31 HIS N N 31 118.930 118.930 122.709 -3.779 19287 4832 1 17 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.074 -0.294 19287 4833 1 17 . 1 1 31 31 HIS C C 31 172.790 172.790 173.532 -0.742 19287 4834 1 17 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.322 -1.792 19287 4835 1 17 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.400 -0.360 19287 4836 1 17 . 1 1 31 31 HIS H H 31 9.010 9.010 9.618 -0.608 19287 4837 1 17 . 1 1 32 32 SER N N 32 117.600 117.600 120.457 -2.857 19287 4838 1 17 . 1 1 32 32 SER HA H 32 4.700 4.700 4.094 0.606 19287 4839 1 17 . 1 1 32 32 SER C C 32 174.930 174.930 173.653 1.277 19287 4840 1 17 . 1 1 32 32 SER CA C 32 57.980 57.980 58.553 -0.573 19287 4841 1 17 . 1 1 32 32 SER CB C 32 64.440 64.440 63.432 1.008 19287 4842 1 17 . 1 1 32 32 SER H H 32 8.740 8.740 8.201 0.539 19287 4843 1 17 . 1 1 33 33 PHE N N 33 120.690 120.690 120.254 0.436 19287 4844 1 17 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.029 -0.239 19287 4845 1 17 . 1 1 33 33 PHE C C 33 171.810 171.810 173.555 -1.745 19287 4846 1 17 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.921 0.279 19287 4847 1 17 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.576 -1.346 19287 4848 1 17 . 1 1 33 33 PHE H H 33 8.830 8.830 8.955 -0.125 19287 4849 1 17 . 1 1 34 34 THR N N 34 116.650 116.650 111.935 4.715 19287 4850 1 17 . 1 1 34 34 THR HA H 34 3.965 3.965 4.254 -0.289 19287 4851 1 17 . 1 1 34 34 THR C C 34 172.600 172.600 172.534 0.066 19287 4852 1 17 . 1 1 34 34 THR CA C 34 61.980 61.980 60.549 1.431 19287 4853 1 17 . 1 1 34 34 THR CB C 34 68.530 68.530 69.964 -1.434 19287 4854 1 17 . 1 1 34 34 THR H H 34 8.400 8.400 8.196 0.204 19287 4855 1 17 . 1 1 35 35 TYR N N 35 127.790 127.790 126.189 1.601 19287 4856 1 17 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.765 -0.265 19287 4857 1 17 . 1 1 35 35 TYR C C 35 174.200 174.200 173.812 0.388 19287 4858 1 17 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.894 -1.764 19287 4859 1 17 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.095 -2.445 19287 4860 1 17 . 1 1 35 35 TYR H H 35 8.010 8.010 8.367 -0.357 19287 4861 1 17 . 1 1 39 39 GLY N N 39 103.730 103.730 110.283 -6.553 19287 4862 1 17 . 1 1 39 39 GLY C C 39 175.700 175.700 174.366 1.334 19287 4863 1 17 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.551 -0.181 19287 4864 1 17 . 1 1 39 39 GLY H H 39 8.500 8.500 8.525 -0.025 19287 4865 1 17 . 1 1 40 40 GLY N N 40 110.170 110.170 108.557 1.613 19287 4866 1 17 . 1 1 40 40 GLY C C 40 173.140 173.140 173.159 -0.019 19287 4867 1 17 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.852 -0.532 19287 4868 1 17 . 1 1 40 40 GLY H H 40 8.670 8.670 8.110 0.560 19287 4869 1 17 . 1 1 41 41 ASN N N 41 116.960 116.960 118.206 -1.246 19287 4870 1 17 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.876 -0.316 19287 4871 1 17 . 1 1 41 41 ASN C C 41 173.670 173.670 175.544 -1.874 19287 4872 1 17 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.370 -0.520 19287 4873 1 17 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.775 -0.545 19287 4874 1 17 . 1 1 41 41 ASN H H 41 8.790 8.790 8.400 0.390 19287 4875 1 17 . 1 1 42 42 ALA N N 42 113.290 113.290 122.850 -9.560 19287 4876 1 17 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.059 -0.339 19287 4877 1 17 . 1 1 42 42 ALA C C 42 177.220 177.220 178.297 -1.077 19287 4878 1 17 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.445 -1.635 19287 4879 1 17 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.515 -0.535 19287 4880 1 17 . 1 1 42 42 ALA H H 42 7.590 7.590 8.679 -1.089 19287 4881 1 17 . 1 1 43 43 ASN N N 43 117.710 117.710 115.796 1.914 19287 4882 1 17 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.556 0.144 19287 4883 1 17 . 1 1 43 43 ASN C C 43 173.660 173.660 175.166 -1.506 19287 4884 1 17 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.357 -3.727 19287 4885 1 17 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.997 -3.157 19287 4886 1 17 . 1 1 43 43 ASN H H 43 7.900 7.900 8.165 -0.265 19287 4887 1 17 . 1 1 44 44 ARG N N 44 120.690 120.690 120.183 0.507 19287 4888 1 17 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.287 0.405 19287 4889 1 17 . 1 1 44 44 ARG C C 44 173.530 173.530 174.725 -1.195 19287 4890 1 17 . 1 1 44 44 ARG CA C 44 56.660 56.660 57.021 -0.361 19287 4891 1 17 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.945 1.505 19287 4892 1 17 . 1 1 44 44 ARG H H 44 6.860 6.860 7.031 -0.171 19287 4893 1 17 . 1 1 45 45 PHE N N 45 123.690 123.690 122.006 1.684 19287 4894 1 17 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.887 -0.077 19287 4895 1 17 . 1 1 45 45 PHE C C 45 175.420 175.420 175.145 0.275 19287 4896 1 17 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.884 -1.214 19287 4897 1 17 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.422 0.367 19287 4898 1 17 . 1 1 45 45 PHE H H 45 9.340 9.340 8.097 1.243 19287 4899 1 17 . 1 1 46 46 ARG N N 46 120.920 120.920 118.487 2.433 19287 4900 1 17 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.588 -0.191 19287 4901 1 17 . 1 1 46 46 ARG C C 46 176.560 176.560 175.571 0.989 19287 4902 1 17 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.660 2.550 19287 4903 1 17 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.626 0.274 19287 4904 1 17 . 1 1 46 46 ARG H H 46 9.080 9.080 8.707 0.373 19287 4905 1 17 . 1 1 47 47 THR N N 47 102.800 102.800 111.093 -8.293 19287 4906 1 17 . 1 1 47 47 THR HA H 47 4.660 4.660 4.122 0.538 19287 4907 1 17 . 1 1 47 47 THR C C 47 174.110 174.110 173.327 0.783 19287 4908 1 17 . 1 1 47 47 THR CA C 47 58.170 58.170 60.256 -2.086 19287 4909 1 17 . 1 1 47 47 THR CB C 47 72.380 72.380 71.161 1.219 19287 4910 1 17 . 1 1 47 47 THR H H 47 7.230 7.230 7.344 -0.114 19287 4911 1 17 . 1 1 48 48 ILE N N 48 123.200 123.200 123.810 -0.610 19287 4912 1 17 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.666 -0.765 19287 4913 1 17 . 1 1 48 48 ILE C C 48 176.420 176.420 175.396 1.024 19287 4914 1 17 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.045 0.955 19287 4915 1 17 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.197 -1.137 19287 4916 1 17 . 1 1 48 48 ILE H H 48 8.110 8.110 8.007 0.103 19287 4917 1 17 . 1 1 49 49 ASP N N 49 119.560 119.560 119.833 -0.273 19287 4918 1 17 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.263 -0.133 19287 4919 1 17 . 1 1 49 49 ASP C C 49 177.740 177.740 178.515 -0.775 19287 4920 1 17 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.920 -1.230 19287 4921 1 17 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.221 -0.251 19287 4922 1 17 . 1 1 49 49 ASP H H 49 7.700 7.700 7.764 -0.064 19287 4923 1 17 . 1 1 50 50 GLU N N 50 117.720 117.720 119.694 -1.974 19287 4924 1 17 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.205 -0.495 19287 4925 1 17 . 1 1 50 50 GLU C C 50 177.550 177.550 178.191 -0.641 19287 4926 1 17 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.922 -0.372 19287 4927 1 17 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.930 -0.740 19287 4928 1 17 . 1 1 50 50 GLU H H 50 7.410 7.410 7.531 -0.121 19287 4929 1 17 . 1 1 51 51 CYS N N 51 120.260 120.260 119.436 0.824 19287 4930 1 17 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.770 -1.120 19287 4931 1 17 . 1 1 51 51 CYS C C 51 175.070 175.070 176.295 -1.225 19287 4932 1 17 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.381 -2.261 19287 4933 1 17 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.742 17.258 19287 4934 1 17 . 1 1 51 51 CYS H H 51 6.760 6.760 7.611 -0.851 19287 4935 1 17 . 1 1 52 52 ASN N N 52 120.160 120.160 119.136 1.024 19287 4936 1 17 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.385 -0.295 19287 4937 1 17 . 1 1 52 52 ASN C C 52 177.820 177.820 177.314 0.506 19287 4938 1 17 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.165 -1.105 19287 4939 1 17 . 1 1 52 52 ASN CB C 52 37.500 37.500 37.720 -0.220 19287 4940 1 17 . 1 1 52 52 ASN H H 52 8.650 8.650 8.602 0.048 19287 4941 1 17 . 1 1 53 53 ARG N N 53 117.000 117.000 118.648 -1.648 19287 4942 1 17 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.031 -0.261 19287 4943 1 17 . 1 1 53 53 ARG C C 53 177.360 177.360 177.660 -0.300 19287 4944 1 17 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.693 -0.203 19287 4945 1 17 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.355 0.825 19287 4946 1 17 . 1 1 53 53 ARG H H 53 7.900 7.900 7.547 0.353 19287 4947 1 17 . 1 1 54 54 THR N N 54 112.080 112.080 112.438 -0.358 19287 4948 1 17 . 1 1 54 54 THR HA H 54 3.838 3.838 4.475 -0.637 19287 4949 1 17 . 1 1 54 54 THR C C 54 174.990 174.990 174.640 0.350 19287 4950 1 17 . 1 1 54 54 THR CA C 54 65.740 65.740 64.015 1.725 19287 4951 1 17 . 1 1 54 54 THR CB C 54 68.870 68.870 70.512 -1.642 19287 4952 1 17 . 1 1 54 54 THR H H 54 7.260 7.260 7.934 -0.674 19287 4953 1 17 . 1 1 55 55 CYS N N 55 112.540 112.540 117.513 -4.973 19287 4954 1 17 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.365 0.035 19287 4955 1 17 . 1 1 55 55 CYS C C 55 172.940 172.940 173.927 -0.987 19287 4956 1 17 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.199 -3.969 19287 4957 1 17 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.044 13.886 19287 4958 1 17 . 1 1 55 55 CYS H H 55 7.590 7.590 7.794 -0.204 19287 4959 1 17 . 1 1 56 56 VAL N N 56 119.720 119.720 123.234 -3.514 19287 4960 1 17 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.098 -0.468 19287 4961 1 17 . 1 1 56 56 VAL C C 56 176.710 176.710 175.646 1.064 19287 4962 1 17 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.354 2.186 19287 4963 1 17 . 1 1 56 56 VAL CB C 56 30.970 30.970 29.320 1.650 19287 4964 1 17 . 1 1 56 56 VAL H H 56 7.280 7.280 7.916 -0.636 19287 4965 1 18 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.361 -0.344 19287 4966 1 18 . 1 1 2 2 PRO C C 2 177.920 177.920 177.366 0.554 19287 4967 1 18 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.267 0.532 19287 4968 1 18 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.544 -0.494 19287 4969 1 18 . 1 1 3 3 ARG N N 3 122.340 122.340 122.863 -0.523 19287 4970 1 18 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.327 -0.541 19287 4971 1 18 . 1 1 3 3 ARG C C 3 178.950 178.950 178.287 0.663 19287 4972 1 18 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.120 0.290 19287 4973 1 18 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.536 -0.316 19287 4974 1 18 . 1 1 3 3 ARG H H 3 8.550 8.550 8.837 -0.287 19287 4975 1 18 . 1 1 4 4 PHE N N 4 113.010 113.010 116.364 -3.354 19287 4976 1 18 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.562 -0.262 19287 4977 1 18 . 1 1 4 4 PHE C C 4 176.070 176.070 176.604 -0.534 19287 4978 1 18 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.378 -0.158 19287 4979 1 18 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.982 -0.672 19287 4980 1 18 . 1 1 4 4 PHE H H 4 7.150 7.150 7.872 -0.722 19287 4981 1 18 . 1 1 5 5 CYS N N 5 118.600 118.600 118.229 0.371 19287 4982 1 18 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.155 -0.025 19287 4983 1 18 . 1 1 5 5 CYS C C 5 173.450 173.450 174.688 -1.238 19287 4984 1 18 . 1 1 5 5 CYS CA C 5 57.960 57.960 60.252 -2.292 19287 4985 1 18 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.708 13.502 19287 4986 1 18 . 1 1 5 5 CYS H H 5 7.090 7.090 7.266 -0.176 19287 4987 1 18 . 1 1 6 6 GLU N N 6 110.710 110.710 117.509 -6.799 19287 4988 1 18 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.376 -0.194 19287 4989 1 18 . 1 1 6 6 GLU C C 6 176.310 176.310 176.485 -0.175 19287 4990 1 18 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.754 -0.244 19287 4991 1 18 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.677 -1.517 19287 4992 1 18 . 1 1 6 6 GLU H H 6 7.300 7.300 7.473 -0.173 19287 4993 1 18 . 1 1 7 7 LEU N N 7 119.090 119.090 121.263 -2.173 19287 4994 1 18 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.329 -0.169 19287 4995 1 18 . 1 1 7 7 LEU C C 7 176.630 176.630 176.312 0.318 19287 4996 1 18 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.373 0.136 19287 4997 1 18 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.729 -0.399 19287 4998 1 18 . 1 1 7 7 LEU H H 7 7.210 7.210 7.180 0.030 19287 4999 1 18 . 1 1 8 8 ALA N N 8 124.490 124.490 121.335 3.155 19287 5000 1 18 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.862 -0.612 19287 5001 1 18 . 1 1 8 8 ALA C C 8 174.710 174.710 175.778 -1.068 19287 5002 1 18 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.593 1.617 19287 5003 1 18 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.606 -2.676 19287 5004 1 18 . 1 1 8 8 ALA H H 8 8.280 8.280 8.313 -0.033 19287 5005 1 18 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.752 -0.572 19287 5006 1 18 . 1 1 9 9 PRO C C 9 176.700 176.700 176.204 0.496 19287 5007 1 18 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.379 -0.889 19287 5008 1 18 . 1 1 9 9 PRO CB C 9 30.360 30.360 30.386 -0.026 19287 5009 1 18 . 1 1 10 10 SER N N 10 112.100 112.100 117.720 -5.620 19287 5010 1 18 . 1 1 10 10 SER HA H 10 4.630 4.630 4.352 0.278 19287 5011 1 18 . 1 1 10 10 SER C C 10 174.190 174.190 175.430 -1.240 19287 5012 1 18 . 1 1 10 10 SER CA C 10 55.360 55.360 58.196 -2.836 19287 5013 1 18 . 1 1 10 10 SER CB C 10 64.550 64.550 63.726 0.824 19287 5014 1 18 . 1 1 10 10 SER H H 10 7.450 7.450 7.987 -0.537 19287 5015 1 18 . 1 1 11 11 ALA N N 11 129.980 129.980 130.809 -0.829 19287 5016 1 18 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.079 0.417 19287 5017 1 18 . 1 1 11 11 ALA C C 11 178.510 178.510 178.539 -0.029 19287 5018 1 18 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.411 1.399 19287 5019 1 18 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.756 1.154 19287 5020 1 18 . 1 1 11 11 ALA H H 11 9.210 9.210 8.600 0.610 19287 5021 1 18 . 1 1 12 12 GLY N N 12 104.410 104.410 105.505 -1.095 19287 5022 1 18 . 1 1 12 12 GLY C C 12 174.850 174.850 175.597 -0.747 19287 5023 1 18 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.522 -1.072 19287 5024 1 18 . 1 1 12 12 GLY H H 12 8.190 8.190 8.093 0.097 19287 5025 1 18 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.633 -0.383 19287 5026 1 18 . 1 1 14 14 CYS C C 14 172.410 172.410 173.436 -1.026 19287 5027 1 18 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.841 0.909 19287 5028 1 18 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.617 8.512 19287 5029 1 18 . 1 1 15 15 PHE N N 15 116.000 116.000 124.571 -8.571 19287 5030 1 18 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.482 -0.102 19287 5031 1 18 . 1 1 15 15 PHE C C 15 174.300 174.300 174.423 -0.123 19287 5032 1 18 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.182 -1.352 19287 5033 1 18 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.674 0.766 19287 5034 1 18 . 1 1 15 15 PHE H H 15 7.960 7.960 8.636 -0.676 19287 5035 1 18 . 1 1 16 16 ALA N N 16 125.630 125.630 130.536 -4.906 19287 5036 1 18 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.574 -0.254 19287 5037 1 18 . 1 1 16 16 ALA C C 16 174.300 174.300 174.668 -0.368 19287 5038 1 18 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.525 -1.395 19287 5039 1 18 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.811 -2.631 19287 5040 1 18 . 1 1 16 16 ALA H H 16 7.800 7.800 7.892 -0.092 19287 5041 1 18 . 1 1 17 17 PHE N N 17 116.330 116.330 122.369 -6.039 19287 5042 1 18 . 1 1 17 17 PHE HA H 17 4.390 4.390 5.279 -0.889 19287 5043 1 18 . 1 1 17 17 PHE C C 17 175.310 175.310 173.962 1.348 19287 5044 1 18 . 1 1 17 17 PHE CA C 17 57.160 57.160 54.584 2.576 19287 5045 1 18 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.984 -1.604 19287 5046 1 18 . 1 1 17 17 PHE H H 17 7.330 7.330 8.431 -1.101 19287 5047 1 18 . 1 1 18 18 VAL N N 18 122.890 122.890 125.026 -2.136 19287 5048 1 18 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.542 -0.067 19287 5049 1 18 . 1 1 18 18 VAL C C 18 173.590 173.590 173.532 0.058 19287 5050 1 18 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.509 0.391 19287 5051 1 18 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.711 0.189 19287 5052 1 18 . 1 1 18 18 VAL H H 18 8.680 8.680 8.974 -0.294 19287 5053 1 18 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.615 -0.340 19287 5054 1 18 . 1 1 19 19 PRO C C 19 176.940 176.940 176.593 0.347 19287 5055 1 18 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.703 1.357 19287 5056 1 18 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.409 0.301 19287 5057 1 18 . 1 1 20 20 SER N N 20 120.230 120.230 119.310 0.920 19287 5058 1 18 . 1 1 20 20 SER HA H 20 4.780 4.780 4.668 0.112 19287 5059 1 18 . 1 1 20 20 SER C C 20 170.900 170.900 173.118 -2.218 19287 5060 1 18 . 1 1 20 20 SER CA C 20 57.450 57.450 57.286 0.164 19287 5061 1 18 . 1 1 20 20 SER CB C 20 67.910 67.910 66.206 1.704 19287 5062 1 18 . 1 1 20 20 SER H H 20 8.390 8.390 7.858 0.532 19287 5063 1 18 . 1 1 21 21 TYR N N 21 118.220 118.220 118.670 -0.450 19287 5064 1 18 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.131 0.469 19287 5065 1 18 . 1 1 21 21 TYR C C 21 173.770 173.770 175.123 -1.353 19287 5066 1 18 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.254 -0.514 19287 5067 1 18 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.990 0.670 19287 5068 1 18 . 1 1 21 21 TYR H H 21 9.020 9.020 8.778 0.242 19287 5069 1 18 . 1 1 22 22 TYR N N 22 119.260 119.260 124.539 -5.279 19287 5070 1 18 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.808 0.302 19287 5071 1 18 . 1 1 22 22 TYR C C 22 172.610 172.610 173.908 -1.298 19287 5072 1 18 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.013 -0.633 19287 5073 1 18 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.862 -1.312 19287 5074 1 18 . 1 1 22 22 TYR H H 22 9.410 9.410 9.704 -0.294 19287 5075 1 18 . 1 1 23 23 TYR N N 23 123.200 123.200 125.975 -2.775 19287 5076 1 18 . 1 1 23 23 TYR HA H 23 4.382 4.382 5.050 -0.668 19287 5077 1 18 . 1 1 23 23 TYR C C 23 173.250 173.250 174.243 -0.993 19287 5078 1 18 . 1 1 23 23 TYR CA C 23 58.360 58.360 56.532 1.828 19287 5079 1 18 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.017 -1.447 19287 5080 1 18 . 1 1 23 23 TYR H H 23 10.190 10.190 8.100 2.090 19287 5081 1 18 . 1 1 24 24 ASN N N 24 126.280 126.280 127.325 -1.045 19287 5082 1 18 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.886 -0.336 19287 5083 1 18 . 1 1 24 24 ASN C C 24 174.000 174.000 175.323 -1.323 19287 5084 1 18 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.167 0.193 19287 5085 1 18 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.414 1.626 19287 5086 1 18 . 1 1 24 24 ASN H H 24 7.890 7.890 8.712 -0.822 19287 5087 1 18 . 1 1 25 25 GLN N N 25 122.760 122.760 123.577 -0.817 19287 5088 1 18 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.584 0.107 19287 5089 1 18 . 1 1 25 25 GLN C C 25 175.670 175.670 176.755 -1.085 19287 5090 1 18 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.203 -0.723 19287 5091 1 18 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.480 0.640 19287 5092 1 18 . 1 1 25 25 GLN H H 25 8.440 8.440 8.059 0.381 19287 5093 1 18 . 1 1 26 26 TYR N N 26 119.190 119.190 120.005 -0.815 19287 5094 1 18 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.245 -0.085 19287 5095 1 18 . 1 1 26 26 TYR C C 26 176.520 176.520 177.036 -0.516 19287 5096 1 18 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.915 0.255 19287 5097 1 18 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.690 -0.810 19287 5098 1 18 . 1 1 26 26 TYR H H 26 7.810 7.810 7.459 0.351 19287 5099 1 18 . 1 1 27 27 SER N N 27 109.600 109.600 111.698 -2.098 19287 5100 1 18 . 1 1 27 27 SER HA H 27 4.330 4.330 4.552 -0.222 19287 5101 1 18 . 1 1 27 27 SER C C 27 174.830 174.830 174.041 0.789 19287 5102 1 18 . 1 1 27 27 SER CA C 27 57.490 57.490 57.439 0.051 19287 5103 1 18 . 1 1 27 27 SER CB C 27 64.640 64.640 63.836 0.804 19287 5104 1 18 . 1 1 27 27 SER H H 27 7.350 7.350 7.669 -0.319 19287 5105 1 18 . 1 1 28 28 ASN N N 28 119.830 119.830 119.113 0.717 19287 5106 1 18 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.406 -0.346 19287 5107 1 18 . 1 1 28 28 ASN C C 28 173.040 173.040 174.300 -1.260 19287 5108 1 18 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.564 -0.734 19287 5109 1 18 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.080 -0.679 19287 5110 1 18 . 1 1 28 28 ASN H H 28 7.930 7.930 7.959 -0.029 19287 5111 1 18 . 1 1 29 29 THR N N 29 103.070 103.070 110.915 -7.845 19287 5112 1 18 . 1 1 29 29 THR HA H 29 4.441 4.441 4.661 -0.220 19287 5113 1 18 . 1 1 29 29 THR C C 29 172.980 172.980 172.063 0.917 19287 5114 1 18 . 1 1 29 29 THR CA C 29 58.920 58.920 61.307 -2.387 19287 5115 1 18 . 1 1 29 29 THR CB C 29 73.260 73.260 70.845 2.415 19287 5116 1 18 . 1 1 29 29 THR H H 29 6.990 6.990 7.891 -0.901 19287 5117 1 18 . 1 1 30 30 CYS N N 30 118.340 118.340 119.334 -0.994 19287 5118 1 18 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.548 -0.086 19287 5119 1 18 . 1 1 30 30 CYS C C 30 173.320 173.320 173.413 -0.093 19287 5120 1 18 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.828 -0.078 19287 5121 1 18 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.809 18.871 19287 5122 1 18 . 1 1 30 30 CYS H H 30 8.954 8.954 8.685 0.269 19287 5123 1 18 . 1 1 31 31 HIS N N 31 118.930 118.930 120.118 -1.188 19287 5124 1 18 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.082 -0.302 19287 5125 1 18 . 1 1 31 31 HIS C C 31 172.790 172.790 173.630 -0.840 19287 5126 1 18 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.904 -2.374 19287 5127 1 18 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.064 -0.024 19287 5128 1 18 . 1 1 31 31 HIS H H 31 9.010 9.010 9.572 -0.562 19287 5129 1 18 . 1 1 32 32 SER N N 32 117.600 117.600 119.518 -1.918 19287 5130 1 18 . 1 1 32 32 SER HA H 32 4.700 4.700 4.236 0.464 19287 5131 1 18 . 1 1 32 32 SER C C 32 174.930 174.930 173.846 1.084 19287 5132 1 18 . 1 1 32 32 SER CA C 32 57.980 57.980 59.395 -1.415 19287 5133 1 18 . 1 1 32 32 SER CB C 32 64.440 64.440 63.366 1.074 19287 5134 1 18 . 1 1 32 32 SER H H 32 8.740 8.740 7.999 0.741 19287 5135 1 18 . 1 1 33 33 PHE N N 33 120.690 120.690 119.458 1.232 19287 5136 1 18 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.047 -0.257 19287 5137 1 18 . 1 1 33 33 PHE C C 33 171.810 171.810 173.754 -1.944 19287 5138 1 18 . 1 1 33 33 PHE CA C 33 56.200 56.200 56.105 0.095 19287 5139 1 18 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.245 -1.015 19287 5140 1 18 . 1 1 33 33 PHE H H 33 8.830 8.830 8.974 -0.144 19287 5141 1 18 . 1 1 34 34 THR N N 34 116.650 116.650 112.281 4.369 19287 5142 1 18 . 1 1 34 34 THR HA H 34 3.965 3.965 4.521 -0.556 19287 5143 1 18 . 1 1 34 34 THR C C 34 172.600 172.600 172.433 0.167 19287 5144 1 18 . 1 1 34 34 THR CA C 34 61.980 61.980 60.887 1.093 19287 5145 1 18 . 1 1 34 34 THR CB C 34 68.530 68.530 69.803 -1.273 19287 5146 1 18 . 1 1 34 34 THR H H 34 8.400 8.400 8.244 0.156 19287 5147 1 18 . 1 1 35 35 TYR N N 35 127.790 127.790 125.289 2.501 19287 5148 1 18 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.664 -0.164 19287 5149 1 18 . 1 1 35 35 TYR C C 35 174.200 174.200 173.479 0.721 19287 5150 1 18 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.736 -1.606 19287 5151 1 18 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.612 -1.962 19287 5152 1 18 . 1 1 35 35 TYR H H 35 8.010 8.010 8.113 -0.103 19287 5153 1 18 . 1 1 39 39 GLY N N 39 103.730 103.730 105.853 -2.123 19287 5154 1 18 . 1 1 39 39 GLY C C 39 175.700 175.700 175.691 0.009 19287 5155 1 18 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.701 0.669 19287 5156 1 18 . 1 1 39 39 GLY H H 39 8.500 8.500 7.455 1.045 19287 5157 1 18 . 1 1 40 40 GLY N N 40 110.170 110.170 108.950 1.220 19287 5158 1 18 . 1 1 40 40 GLY C C 40 173.140 173.140 174.292 -1.152 19287 5159 1 18 . 1 1 40 40 GLY CA C 40 44.320 44.320 45.674 -1.354 19287 5160 1 18 . 1 1 40 40 GLY H H 40 8.670 8.670 8.481 0.189 19287 5161 1 18 . 1 1 41 41 ASN N N 41 116.960 116.960 116.682 0.278 19287 5162 1 18 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.894 -0.334 19287 5163 1 18 . 1 1 41 41 ASN C C 41 173.670 173.670 175.215 -1.545 19287 5164 1 18 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.321 -0.471 19287 5165 1 18 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.920 -0.691 19287 5166 1 18 . 1 1 41 41 ASN H H 41 8.790 8.790 7.963 0.827 19287 5167 1 18 . 1 1 42 42 ALA N N 42 113.290 113.290 123.016 -9.726 19287 5168 1 18 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.109 -0.389 19287 5169 1 18 . 1 1 42 42 ALA C C 42 177.220 177.220 178.137 -0.917 19287 5170 1 18 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.295 -1.485 19287 5171 1 18 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.523 -0.543 19287 5172 1 18 . 1 1 42 42 ALA H H 42 7.590 7.590 8.691 -1.101 19287 5173 1 18 . 1 1 43 43 ASN N N 43 117.710 117.710 115.457 2.253 19287 5174 1 18 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.613 0.087 19287 5175 1 18 . 1 1 43 43 ASN C C 43 173.660 173.660 175.009 -1.349 19287 5176 1 18 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.082 -3.452 19287 5177 1 18 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.272 -3.432 19287 5178 1 18 . 1 1 43 43 ASN H H 43 7.900 7.900 8.133 -0.233 19287 5179 1 18 . 1 1 44 44 ARG N N 44 120.690 120.690 120.714 -0.024 19287 5180 1 18 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.483 0.209 19287 5181 1 18 . 1 1 44 44 ARG C C 44 173.530 173.530 175.176 -1.646 19287 5182 1 18 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.378 0.282 19287 5183 1 18 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.118 2.332 19287 5184 1 18 . 1 1 44 44 ARG H H 44 6.860 6.860 7.136 -0.276 19287 5185 1 18 . 1 1 45 45 PHE N N 45 123.690 123.690 123.951 -0.261 19287 5186 1 18 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.859 -0.049 19287 5187 1 18 . 1 1 45 45 PHE C C 45 175.420 175.420 175.688 -0.268 19287 5188 1 18 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.921 -1.251 19287 5189 1 18 . 1 1 45 45 PHE CB C 45 43.790 43.790 43.204 0.586 19287 5190 1 18 . 1 1 45 45 PHE H H 45 9.340 9.340 9.167 0.173 19287 5191 1 18 . 1 1 46 46 ARG N N 46 120.920 120.920 119.191 1.729 19287 5192 1 18 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.570 -0.173 19287 5193 1 18 . 1 1 46 46 ARG C C 46 176.560 176.560 175.821 0.739 19287 5194 1 18 . 1 1 46 46 ARG CA C 46 58.210 58.210 56.428 1.782 19287 5195 1 18 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.371 0.529 19287 5196 1 18 . 1 1 46 46 ARG H H 46 9.080 9.080 8.736 0.344 19287 5197 1 18 . 1 1 47 47 THR N N 47 102.800 102.800 112.472 -9.672 19287 5198 1 18 . 1 1 47 47 THR HA H 47 4.660 4.660 4.444 0.216 19287 5199 1 18 . 1 1 47 47 THR C C 47 174.110 174.110 172.738 1.372 19287 5200 1 18 . 1 1 47 47 THR CA C 47 58.170 58.170 61.070 -2.900 19287 5201 1 18 . 1 1 47 47 THR CB C 47 72.380 72.380 70.751 1.629 19287 5202 1 18 . 1 1 47 47 THR H H 47 7.230 7.230 7.694 -0.464 19287 5203 1 18 . 1 1 48 48 ILE N N 48 123.200 123.200 125.727 -2.527 19287 5204 1 18 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.644 -0.743 19287 5205 1 18 . 1 1 48 48 ILE C C 48 176.420 176.420 175.705 0.715 19287 5206 1 18 . 1 1 48 48 ILE CA C 48 64.000 64.000 62.793 1.207 19287 5207 1 18 . 1 1 48 48 ILE CB C 48 37.060 37.060 37.910 -0.850 19287 5208 1 18 . 1 1 48 48 ILE H H 48 8.110 8.110 8.003 0.107 19287 5209 1 18 . 1 1 49 49 ASP N N 49 119.560 119.560 119.503 0.057 19287 5210 1 18 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.319 -0.189 19287 5211 1 18 . 1 1 49 49 ASP C C 49 177.740 177.740 178.290 -0.550 19287 5212 1 18 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.564 -0.874 19287 5213 1 18 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.177 -0.207 19287 5214 1 18 . 1 1 49 49 ASP H H 49 7.700 7.700 7.669 0.031 19287 5215 1 18 . 1 1 50 50 GLU N N 50 117.720 117.720 119.076 -1.356 19287 5216 1 18 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.412 -0.702 19287 5217 1 18 . 1 1 50 50 GLU C C 50 177.550 177.550 178.617 -1.067 19287 5218 1 18 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.229 0.321 19287 5219 1 18 . 1 1 50 50 GLU CB C 50 29.190 29.190 30.055 -0.865 19287 5220 1 18 . 1 1 50 50 GLU H H 50 7.410 7.410 7.732 -0.322 19287 5221 1 18 . 1 1 51 51 CYS N N 51 120.260 120.260 117.560 2.700 19287 5222 1 18 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.856 -1.206 19287 5223 1 18 . 1 1 51 51 CYS C C 51 175.070 175.070 176.307 -1.237 19287 5224 1 18 . 1 1 51 51 CYS CA C 51 59.120 59.120 60.097 -0.977 19287 5225 1 18 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.026 16.974 19287 5226 1 18 . 1 1 51 51 CYS H H 51 6.760 6.760 7.705 -0.945 19287 5227 1 18 . 1 1 52 52 ASN N N 52 120.160 120.160 120.831 -0.671 19287 5228 1 18 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.372 -0.282 19287 5229 1 18 . 1 1 52 52 ASN C C 52 177.820 177.820 177.549 0.271 19287 5230 1 18 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.895 -0.834 19287 5231 1 18 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.193 -0.693 19287 5232 1 18 . 1 1 52 52 ASN H H 52 8.650 8.650 8.493 0.157 19287 5233 1 18 . 1 1 53 53 ARG N N 53 117.000 117.000 118.211 -1.211 19287 5234 1 18 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.049 -0.279 19287 5235 1 18 . 1 1 53 53 ARG C C 53 177.360 177.360 177.522 -0.162 19287 5236 1 18 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.630 -0.140 19287 5237 1 18 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.324 0.856 19287 5238 1 18 . 1 1 53 53 ARG H H 53 7.900 7.900 7.570 0.330 19287 5239 1 18 . 1 1 54 54 THR N N 54 112.080 112.080 112.352 -0.272 19287 5240 1 18 . 1 1 54 54 THR HA H 54 3.838 3.838 4.480 -0.642 19287 5241 1 18 . 1 1 54 54 THR C C 54 174.990 174.990 174.492 0.498 19287 5242 1 18 . 1 1 54 54 THR CA C 54 65.740 65.740 63.547 2.193 19287 5243 1 18 . 1 1 54 54 THR CB C 54 68.870 68.870 70.425 -1.555 19287 5244 1 18 . 1 1 54 54 THR H H 54 7.260 7.260 7.663 -0.403 19287 5245 1 18 . 1 1 55 55 CYS N N 55 112.540 112.540 116.983 -4.443 19287 5246 1 18 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.380 0.020 19287 5247 1 18 . 1 1 55 55 CYS C C 55 172.940 172.940 173.848 -0.908 19287 5248 1 18 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.498 -4.268 19287 5249 1 18 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.197 13.733 19287 5250 1 18 . 1 1 55 55 CYS H H 55 7.590 7.590 7.729 -0.139 19287 5251 1 18 . 1 1 56 56 VAL N N 56 119.720 119.720 123.913 -4.193 19287 5252 1 18 . 1 1 56 56 VAL HA H 56 3.631 3.631 3.999 -0.368 19287 5253 1 18 . 1 1 56 56 VAL C C 56 176.710 176.710 175.653 1.057 19287 5254 1 18 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.349 1.191 19287 5255 1 18 . 1 1 56 56 VAL CB C 56 30.970 30.970 29.780 1.190 19287 5256 1 18 . 1 1 56 56 VAL H H 56 7.280 7.280 7.885 -0.605 19287 5257 1 19 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.452 -0.435 19287 5258 1 19 . 1 1 2 2 PRO C C 2 177.920 177.920 177.788 0.132 19287 5259 1 19 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.526 0.274 19287 5260 1 19 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.459 -0.409 19287 5261 1 19 . 1 1 3 3 ARG N N 3 122.340 122.340 122.151 0.189 19287 5262 1 19 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.989 -0.203 19287 5263 1 19 . 1 1 3 3 ARG C C 3 178.950 178.950 177.991 0.959 19287 5264 1 19 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.086 0.324 19287 5265 1 19 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.442 -0.222 19287 5266 1 19 . 1 1 3 3 ARG H H 3 8.550 8.550 8.675 -0.125 19287 5267 1 19 . 1 1 4 4 PHE N N 4 113.010 113.010 118.122 -5.112 19287 5268 1 19 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.528 -0.228 19287 5269 1 19 . 1 1 4 4 PHE C C 4 176.070 176.070 175.405 0.665 19287 5270 1 19 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.436 -0.216 19287 5271 1 19 . 1 1 4 4 PHE CB C 4 37.310 37.310 38.240 -0.930 19287 5272 1 19 . 1 1 4 4 PHE H H 4 7.150 7.150 7.839 -0.689 19287 5273 1 19 . 1 1 5 5 CYS N N 5 118.600 118.600 113.565 5.035 19287 5274 1 19 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.542 -0.412 19287 5275 1 19 . 1 1 5 5 CYS C C 5 173.450 173.450 175.079 -1.629 19287 5276 1 19 . 1 1 5 5 CYS CA C 5 57.960 57.960 57.146 0.814 19287 5277 1 19 . 1 1 5 5 CYS CB C 5 39.210 39.210 26.480 12.730 19287 5278 1 19 . 1 1 5 5 CYS H H 5 7.090 7.090 7.393 -0.303 19287 5279 1 19 . 1 1 6 6 GLU N N 6 110.710 110.710 119.509 -8.799 19287 5280 1 19 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.508 -0.326 19287 5281 1 19 . 1 1 6 6 GLU C C 6 176.310 176.310 176.303 0.007 19287 5282 1 19 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.038 0.472 19287 5283 1 19 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.466 -1.306 19287 5284 1 19 . 1 1 6 6 GLU H H 6 7.300 7.300 7.530 -0.230 19287 5285 1 19 . 1 1 7 7 LEU N N 7 119.090 119.090 121.037 -1.947 19287 5286 1 19 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.371 -0.211 19287 5287 1 19 . 1 1 7 7 LEU C C 7 176.630 176.630 176.177 0.453 19287 5288 1 19 . 1 1 7 7 LEU CA C 7 54.510 54.510 53.965 0.545 19287 5289 1 19 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.463 -0.133 19287 5290 1 19 . 1 1 7 7 LEU H H 7 7.210 7.210 7.377 -0.167 19287 5291 1 19 . 1 1 8 8 ALA N N 8 124.490 124.490 121.812 2.678 19287 5292 1 19 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.649 -0.399 19287 5293 1 19 . 1 1 8 8 ALA C C 8 174.710 174.710 175.596 -0.886 19287 5294 1 19 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.797 1.413 19287 5295 1 19 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.625 -2.695 19287 5296 1 19 . 1 1 8 8 ALA H H 8 8.280 8.280 8.256 0.024 19287 5297 1 19 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.635 -0.455 19287 5298 1 19 . 1 1 9 9 PRO C C 9 176.700 176.700 176.902 -0.202 19287 5299 1 19 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.862 -1.372 19287 5300 1 19 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.580 -1.220 19287 5301 1 19 . 1 1 10 10 SER N N 10 112.100 112.100 122.578 -10.478 19287 5302 1 19 . 1 1 10 10 SER HA H 10 4.630 4.630 4.356 0.274 19287 5303 1 19 . 1 1 10 10 SER C C 10 174.190 174.190 175.166 -0.976 19287 5304 1 19 . 1 1 10 10 SER CA C 10 55.360 55.360 57.017 -1.657 19287 5305 1 19 . 1 1 10 10 SER CB C 10 64.550 64.550 61.992 2.558 19287 5306 1 19 . 1 1 10 10 SER H H 10 7.450 7.450 8.418 -0.968 19287 5307 1 19 . 1 1 11 11 ALA N N 11 129.980 129.980 123.854 6.126 19287 5308 1 19 . 1 1 11 11 ALA HA H 11 4.496 4.496 3.827 0.669 19287 5309 1 19 . 1 1 11 11 ALA C C 11 178.510 178.510 178.477 0.033 19287 5310 1 19 . 1 1 11 11 ALA CA C 11 54.810 54.810 54.581 0.230 19287 5311 1 19 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.536 1.374 19287 5312 1 19 . 1 1 11 11 ALA H H 11 9.210 9.210 7.997 1.213 19287 5313 1 19 . 1 1 12 12 GLY N N 12 104.410 104.410 104.831 -0.421 19287 5314 1 19 . 1 1 12 12 GLY C C 12 174.850 174.850 176.065 -1.215 19287 5315 1 19 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.944 -1.494 19287 5316 1 19 . 1 1 12 12 GLY H H 12 8.190 8.190 8.475 -0.285 19287 5317 1 19 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.713 -0.463 19287 5318 1 19 . 1 1 14 14 CYS C C 14 172.410 172.410 173.724 -1.314 19287 5319 1 19 . 1 1 14 14 CYS CA C 14 59.750 59.750 57.337 2.413 19287 5320 1 19 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.645 8.485 19287 5321 1 19 . 1 1 15 15 PHE N N 15 116.000 116.000 124.222 -8.222 19287 5322 1 19 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.589 -0.209 19287 5323 1 19 . 1 1 15 15 PHE C C 15 174.300 174.300 174.678 -0.378 19287 5324 1 19 . 1 1 15 15 PHE CA C 15 56.830 56.830 58.661 -1.831 19287 5325 1 19 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.866 0.574 19287 5326 1 19 . 1 1 15 15 PHE H H 15 7.960 7.960 8.784 -0.824 19287 5327 1 19 . 1 1 16 16 ALA N N 16 125.630 125.630 130.563 -4.933 19287 5328 1 19 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.383 -0.063 19287 5329 1 19 . 1 1 16 16 ALA C C 16 174.300 174.300 175.218 -0.918 19287 5330 1 19 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.504 -1.373 19287 5331 1 19 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.706 -2.526 19287 5332 1 19 . 1 1 16 16 ALA H H 16 7.800 7.800 7.957 -0.157 19287 5333 1 19 . 1 1 17 17 PHE N N 17 116.330 116.330 122.687 -6.357 19287 5334 1 19 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.661 -0.271 19287 5335 1 19 . 1 1 17 17 PHE C C 17 175.310 175.310 174.084 1.226 19287 5336 1 19 . 1 1 17 17 PHE CA C 17 57.160 57.160 57.080 0.080 19287 5337 1 19 . 1 1 17 17 PHE CB C 17 39.380 39.380 41.147 -1.767 19287 5338 1 19 . 1 1 17 17 PHE H H 17 7.330 7.330 8.347 -1.017 19287 5339 1 19 . 1 1 18 18 VAL N N 18 122.890 122.890 124.423 -1.533 19287 5340 1 19 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.426 0.049 19287 5341 1 19 . 1 1 18 18 VAL C C 18 173.590 173.590 173.321 0.269 19287 5342 1 19 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.179 0.721 19287 5343 1 19 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.710 0.190 19287 5344 1 19 . 1 1 18 18 VAL H H 18 8.680 8.680 8.126 0.554 19287 5345 1 19 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.345 -0.070 19287 5346 1 19 . 1 1 19 19 PRO C C 19 176.940 176.940 176.327 0.613 19287 5347 1 19 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.663 1.397 19287 5348 1 19 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.410 0.300 19287 5349 1 19 . 1 1 20 20 SER N N 20 120.230 120.230 118.341 1.889 19287 5350 1 19 . 1 1 20 20 SER HA H 20 4.780 4.780 4.683 0.097 19287 5351 1 19 . 1 1 20 20 SER C C 20 170.900 170.900 172.710 -1.810 19287 5352 1 19 . 1 1 20 20 SER CA C 20 57.450 57.450 57.066 0.385 19287 5353 1 19 . 1 1 20 20 SER CB C 20 67.910 67.910 66.403 1.508 19287 5354 1 19 . 1 1 20 20 SER H H 20 8.390 8.390 7.818 0.572 19287 5355 1 19 . 1 1 21 21 TYR N N 21 118.220 118.220 118.973 -0.753 19287 5356 1 19 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.062 0.538 19287 5357 1 19 . 1 1 21 21 TYR C C 21 173.770 173.770 175.449 -1.679 19287 5358 1 19 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.094 -0.354 19287 5359 1 19 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.597 1.063 19287 5360 1 19 . 1 1 21 21 TYR H H 21 9.020 9.020 8.711 0.309 19287 5361 1 19 . 1 1 22 22 TYR N N 22 119.260 119.260 125.289 -6.029 19287 5362 1 19 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.926 0.184 19287 5363 1 19 . 1 1 22 22 TYR C C 22 172.610 172.610 174.263 -1.653 19287 5364 1 19 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.761 -1.381 19287 5365 1 19 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.572 -1.022 19287 5366 1 19 . 1 1 22 22 TYR H H 22 9.410 9.410 9.599 -0.189 19287 5367 1 19 . 1 1 23 23 TYR N N 23 123.200 123.200 126.326 -3.126 19287 5368 1 19 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.774 -0.392 19287 5369 1 19 . 1 1 23 23 TYR C C 23 173.250 173.250 173.873 -0.623 19287 5370 1 19 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.035 1.325 19287 5371 1 19 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.093 -1.523 19287 5372 1 19 . 1 1 23 23 TYR H H 23 10.190 10.190 8.530 1.660 19287 5373 1 19 . 1 1 24 24 ASN N N 24 126.280 126.280 126.518 -0.238 19287 5374 1 19 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.986 -0.436 19287 5375 1 19 . 1 1 24 24 ASN C C 24 174.000 174.000 175.411 -1.411 19287 5376 1 19 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.819 -0.459 19287 5377 1 19 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.928 1.111 19287 5378 1 19 . 1 1 24 24 ASN H H 24 7.890 7.890 8.701 -0.811 19287 5379 1 19 . 1 1 25 25 GLN N N 25 122.760 122.760 122.506 0.254 19287 5380 1 19 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.806 -0.115 19287 5381 1 19 . 1 1 25 25 GLN C C 25 175.670 175.670 177.090 -1.420 19287 5382 1 19 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.430 -0.950 19287 5383 1 19 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.866 0.254 19287 5384 1 19 . 1 1 25 25 GLN H H 25 8.440 8.440 8.182 0.258 19287 5385 1 19 . 1 1 26 26 TYR N N 26 119.190 119.190 119.578 -0.388 19287 5386 1 19 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.229 -0.069 19287 5387 1 19 . 1 1 26 26 TYR C C 26 176.520 176.520 176.783 -0.263 19287 5388 1 19 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.130 0.040 19287 5389 1 19 . 1 1 26 26 TYR CB C 26 36.880 36.880 38.066 -1.186 19287 5390 1 19 . 1 1 26 26 TYR H H 26 7.810 7.810 8.057 -0.247 19287 5391 1 19 . 1 1 27 27 SER N N 27 109.600 109.600 111.945 -2.345 19287 5392 1 19 . 1 1 27 27 SER HA H 27 4.330 4.330 4.601 -0.271 19287 5393 1 19 . 1 1 27 27 SER C C 27 174.830 174.830 173.413 1.417 19287 5394 1 19 . 1 1 27 27 SER CA C 27 57.490 57.490 57.329 0.161 19287 5395 1 19 . 1 1 27 27 SER CB C 27 64.640 64.640 63.824 0.816 19287 5396 1 19 . 1 1 27 27 SER H H 27 7.350 7.350 7.657 -0.307 19287 5397 1 19 . 1 1 28 28 ASN N N 28 119.830 119.830 118.889 0.941 19287 5398 1 19 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.393 -0.333 19287 5399 1 19 . 1 1 28 28 ASN C C 28 173.040 173.040 174.246 -1.206 19287 5400 1 19 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.806 -0.976 19287 5401 1 19 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.183 -0.783 19287 5402 1 19 . 1 1 28 28 ASN H H 28 7.930 7.930 8.045 -0.115 19287 5403 1 19 . 1 1 29 29 THR N N 29 103.070 103.070 111.458 -8.388 19287 5404 1 19 . 1 1 29 29 THR HA H 29 4.441 4.441 4.687 -0.246 19287 5405 1 19 . 1 1 29 29 THR C C 29 172.980 172.980 172.159 0.821 19287 5406 1 19 . 1 1 29 29 THR CA C 29 58.920 58.920 61.646 -2.726 19287 5407 1 19 . 1 1 29 29 THR CB C 29 73.260 73.260 71.424 1.836 19287 5408 1 19 . 1 1 29 29 THR H H 29 6.990 6.990 7.753 -0.763 19287 5409 1 19 . 1 1 30 30 CYS N N 30 118.340 118.340 119.195 -0.855 19287 5410 1 19 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.402 0.060 19287 5411 1 19 . 1 1 30 30 CYS C C 30 173.320 173.320 173.416 -0.096 19287 5412 1 19 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.836 -0.086 19287 5413 1 19 . 1 1 30 30 CYS CB C 30 50.680 50.680 32.018 18.662 19287 5414 1 19 . 1 1 30 30 CYS H H 30 8.954 8.954 8.646 0.308 19287 5415 1 19 . 1 1 31 31 HIS N N 31 118.930 118.930 119.288 -0.358 19287 5416 1 19 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.003 -0.223 19287 5417 1 19 . 1 1 31 31 HIS C C 31 172.790 172.790 173.416 -0.626 19287 5418 1 19 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.575 -2.045 19287 5419 1 19 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.252 -0.212 19287 5420 1 19 . 1 1 31 31 HIS H H 31 9.010 9.010 9.590 -0.580 19287 5421 1 19 . 1 1 32 32 SER N N 32 117.600 117.600 121.096 -3.496 19287 5422 1 19 . 1 1 32 32 SER HA H 32 4.700 4.700 4.136 0.564 19287 5423 1 19 . 1 1 32 32 SER C C 32 174.930 174.930 173.754 1.176 19287 5424 1 19 . 1 1 32 32 SER CA C 32 57.980 57.980 58.498 -0.518 19287 5425 1 19 . 1 1 32 32 SER CB C 32 64.440 64.440 62.788 1.652 19287 5426 1 19 . 1 1 32 32 SER H H 32 8.740 8.740 8.206 0.534 19287 5427 1 19 . 1 1 33 33 PHE N N 33 120.690 120.690 120.737 -0.047 19287 5428 1 19 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.012 -0.222 19287 5429 1 19 . 1 1 33 33 PHE C C 33 171.810 171.810 173.456 -1.646 19287 5430 1 19 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.854 0.346 19287 5431 1 19 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.623 -1.393 19287 5432 1 19 . 1 1 33 33 PHE H H 33 8.830 8.830 8.768 0.062 19287 5433 1 19 . 1 1 34 34 THR N N 34 116.650 116.650 112.030 4.620 19287 5434 1 19 . 1 1 34 34 THR HA H 34 3.965 3.965 4.278 -0.313 19287 5435 1 19 . 1 1 34 34 THR C C 34 172.600 172.600 172.558 0.042 19287 5436 1 19 . 1 1 34 34 THR CA C 34 61.980 61.980 60.727 1.253 19287 5437 1 19 . 1 1 34 34 THR CB C 34 68.530 68.530 69.209 -0.679 19287 5438 1 19 . 1 1 34 34 THR H H 34 8.400 8.400 8.282 0.118 19287 5439 1 19 . 1 1 35 35 TYR N N 35 127.790 127.790 126.285 1.505 19287 5440 1 19 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.716 -0.216 19287 5441 1 19 . 1 1 35 35 TYR C C 35 174.200 174.200 173.724 0.476 19287 5442 1 19 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.498 -1.368 19287 5443 1 19 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.425 -2.775 19287 5444 1 19 . 1 1 35 35 TYR H H 35 8.010 8.010 7.831 0.179 19287 5445 1 19 . 1 1 39 39 GLY N N 39 103.730 103.730 112.586 -8.856 19287 5446 1 19 . 1 1 39 39 GLY C C 39 175.700 175.700 173.261 2.439 19287 5447 1 19 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.629 0.741 19287 5448 1 19 . 1 1 39 39 GLY H H 39 8.500 8.500 8.323 0.177 19287 5449 1 19 . 1 1 40 40 GLY N N 40 110.170 110.170 107.330 2.840 19287 5450 1 19 . 1 1 40 40 GLY C C 40 173.140 173.140 173.308 -0.168 19287 5451 1 19 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.748 -0.428 19287 5452 1 19 . 1 1 40 40 GLY H H 40 8.670 8.670 7.800 0.870 19287 5453 1 19 . 1 1 41 41 ASN N N 41 116.960 116.960 117.527 -0.567 19287 5454 1 19 . 1 1 41 41 ASN HA H 41 4.560 4.560 5.040 -0.480 19287 5455 1 19 . 1 1 41 41 ASN C C 41 173.670 173.670 175.881 -2.211 19287 5456 1 19 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.085 -0.235 19287 5457 1 19 . 1 1 41 41 ASN CB C 41 40.230 40.230 41.081 -0.851 19287 5458 1 19 . 1 1 41 41 ASN H H 41 8.790 8.790 8.829 -0.039 19287 5459 1 19 . 1 1 42 42 ALA N N 42 113.290 113.290 122.505 -9.215 19287 5460 1 19 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.038 -0.318 19287 5461 1 19 . 1 1 42 42 ALA C C 42 177.220 177.220 177.153 0.067 19287 5462 1 19 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.303 -1.494 19287 5463 1 19 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.628 -0.648 19287 5464 1 19 . 1 1 42 42 ALA H H 42 7.590 7.590 8.698 -1.108 19287 5465 1 19 . 1 1 43 43 ASN N N 43 117.710 117.710 112.934 4.776 19287 5466 1 19 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.510 0.190 19287 5467 1 19 . 1 1 43 43 ASN C C 43 173.660 173.660 175.014 -1.354 19287 5468 1 19 . 1 1 43 43 ASN CA C 43 50.630 50.630 53.828 -3.198 19287 5469 1 19 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.755 -2.915 19287 5470 1 19 . 1 1 43 43 ASN H H 43 7.900 7.900 7.970 -0.070 19287 5471 1 19 . 1 1 44 44 ARG N N 44 120.690 120.690 121.033 -0.343 19287 5472 1 19 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.432 0.260 19287 5473 1 19 . 1 1 44 44 ARG C C 44 173.530 173.530 174.449 -0.919 19287 5474 1 19 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.359 0.300 19287 5475 1 19 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.539 1.911 19287 5476 1 19 . 1 1 44 44 ARG H H 44 6.860 6.860 7.047 -0.187 19287 5477 1 19 . 1 1 45 45 PHE N N 45 123.690 123.690 123.019 0.671 19287 5478 1 19 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.883 -0.073 19287 5479 1 19 . 1 1 45 45 PHE C C 45 175.420 175.420 175.564 -0.144 19287 5480 1 19 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.611 -0.941 19287 5481 1 19 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.837 0.954 19287 5482 1 19 . 1 1 45 45 PHE H H 45 9.340 9.340 8.759 0.581 19287 5483 1 19 . 1 1 46 46 ARG N N 46 120.920 120.920 117.618 3.302 19287 5484 1 19 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.505 -0.108 19287 5485 1 19 . 1 1 46 46 ARG C C 46 176.560 176.560 176.174 0.386 19287 5486 1 19 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.779 2.430 19287 5487 1 19 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.563 0.337 19287 5488 1 19 . 1 1 46 46 ARG H H 46 9.080 9.080 8.881 0.199 19287 5489 1 19 . 1 1 47 47 THR N N 47 102.800 102.800 111.985 -9.185 19287 5490 1 19 . 1 1 47 47 THR HA H 47 4.660 4.660 4.188 0.472 19287 5491 1 19 . 1 1 47 47 THR C C 47 174.110 174.110 173.664 0.446 19287 5492 1 19 . 1 1 47 47 THR CA C 47 58.170 58.170 60.355 -2.185 19287 5493 1 19 . 1 1 47 47 THR CB C 47 72.380 72.380 70.491 1.889 19287 5494 1 19 . 1 1 47 47 THR H H 47 7.230 7.230 7.508 -0.278 19287 5495 1 19 . 1 1 48 48 ILE N N 48 123.200 123.200 124.274 -1.074 19287 5496 1 19 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.767 -0.866 19287 5497 1 19 . 1 1 48 48 ILE C C 48 176.420 176.420 176.031 0.389 19287 5498 1 19 . 1 1 48 48 ILE CA C 48 64.000 64.000 62.306 1.694 19287 5499 1 19 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.126 -1.066 19287 5500 1 19 . 1 1 48 48 ILE H H 48 8.110 8.110 8.118 -0.008 19287 5501 1 19 . 1 1 49 49 ASP N N 49 119.560 119.560 119.002 0.558 19287 5502 1 19 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.287 -0.157 19287 5503 1 19 . 1 1 49 49 ASP C C 49 177.740 177.740 178.195 -0.455 19287 5504 1 19 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.300 -0.611 19287 5505 1 19 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.045 -0.075 19287 5506 1 19 . 1 1 49 49 ASP H H 49 7.700 7.700 7.798 -0.098 19287 5507 1 19 . 1 1 50 50 GLU N N 50 117.720 117.720 120.070 -2.350 19287 5508 1 19 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.260 -0.550 19287 5509 1 19 . 1 1 50 50 GLU C C 50 177.550 177.550 178.412 -0.862 19287 5510 1 19 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.194 0.356 19287 5511 1 19 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.890 -0.700 19287 5512 1 19 . 1 1 50 50 GLU H H 50 7.410 7.410 7.585 -0.175 19287 5513 1 19 . 1 1 51 51 CYS N N 51 120.260 120.260 117.093 3.167 19287 5514 1 19 . 1 1 51 51 CYS HA H 51 1.650 1.650 2.946 -1.296 19287 5515 1 19 . 1 1 51 51 CYS C C 51 175.070 175.070 176.486 -1.416 19287 5516 1 19 . 1 1 51 51 CYS CA C 51 59.120 59.120 60.653 -1.533 19287 5517 1 19 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.927 17.073 19287 5518 1 19 . 1 1 51 51 CYS H H 51 6.760 6.760 7.740 -0.980 19287 5519 1 19 . 1 1 52 52 ASN N N 52 120.160 120.160 120.478 -0.318 19287 5520 1 19 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.412 -0.322 19287 5521 1 19 . 1 1 52 52 ASN C C 52 177.820 177.820 177.502 0.318 19287 5522 1 19 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.922 -0.862 19287 5523 1 19 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.345 -0.845 19287 5524 1 19 . 1 1 52 52 ASN H H 52 8.650 8.650 8.457 0.193 19287 5525 1 19 . 1 1 53 53 ARG N N 53 117.000 117.000 118.818 -1.818 19287 5526 1 19 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.021 -0.251 19287 5527 1 19 . 1 1 53 53 ARG C C 53 177.360 177.360 177.681 -0.321 19287 5528 1 19 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.732 -0.242 19287 5529 1 19 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.299 0.881 19287 5530 1 19 . 1 1 53 53 ARG H H 53 7.900 7.900 7.490 0.410 19287 5531 1 19 . 1 1 54 54 THR N N 54 112.080 112.080 112.036 0.044 19287 5532 1 19 . 1 1 54 54 THR HA H 54 3.838 3.838 4.346 -0.508 19287 5533 1 19 . 1 1 54 54 THR C C 54 174.990 174.990 174.146 0.844 19287 5534 1 19 . 1 1 54 54 THR CA C 54 65.740 65.740 63.783 1.957 19287 5535 1 19 . 1 1 54 54 THR CB C 54 68.870 68.870 69.832 -0.962 19287 5536 1 19 . 1 1 54 54 THR H H 54 7.260 7.260 7.873 -0.613 19287 5537 1 19 . 1 1 55 55 CYS N N 55 112.540 112.540 117.006 -4.466 19287 5538 1 19 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.397 0.003 19287 5539 1 19 . 1 1 55 55 CYS C C 55 172.940 172.940 174.192 -1.252 19287 5540 1 19 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.370 -4.140 19287 5541 1 19 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.588 13.342 19287 5542 1 19 . 1 1 55 55 CYS H H 55 7.590 7.590 7.364 0.226 19287 5543 1 19 . 1 1 56 56 VAL N N 56 119.720 119.720 123.557 -3.837 19287 5544 1 19 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.090 -0.459 19287 5545 1 19 . 1 1 56 56 VAL C C 56 176.710 176.710 175.822 0.888 19287 5546 1 19 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.227 1.313 19287 5547 1 19 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.683 0.287 19287 5548 1 19 . 1 1 56 56 VAL H H 56 7.280 7.280 7.990 -0.710 19287 5549 1 20 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.357 -0.340 19287 5550 1 20 . 1 1 2 2 PRO C C 2 177.920 177.920 177.827 0.093 19287 5551 1 20 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.257 0.543 19287 5552 1 20 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.507 -0.457 19287 5553 1 20 . 1 1 3 3 ARG N N 3 122.340 122.340 123.603 -1.263 19287 5554 1 20 . 1 1 3 3 ARG HA H 3 3.786 3.786 3.943 -0.157 19287 5555 1 20 . 1 1 3 3 ARG C C 3 178.950 178.950 177.653 1.297 19287 5556 1 20 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.099 0.311 19287 5557 1 20 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.112 0.108 19287 5558 1 20 . 1 1 3 3 ARG H H 3 8.550 8.550 8.795 -0.245 19287 5559 1 20 . 1 1 4 4 PHE N N 4 113.010 113.010 118.020 -5.010 19287 5560 1 20 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.470 -0.170 19287 5561 1 20 . 1 1 4 4 PHE C C 4 176.070 176.070 176.977 -0.907 19287 5562 1 20 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.256 -0.036 19287 5563 1 20 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.313 -0.003 19287 5564 1 20 . 1 1 4 4 PHE H H 4 7.150 7.150 7.728 -0.578 19287 5565 1 20 . 1 1 5 5 CYS N N 5 118.600 118.600 118.704 -0.104 19287 5566 1 20 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.439 -0.309 19287 5567 1 20 . 1 1 5 5 CYS C C 5 173.450 173.450 174.904 -1.454 19287 5568 1 20 . 1 1 5 5 CYS CA C 5 57.960 57.960 61.195 -3.235 19287 5569 1 20 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.677 13.533 19287 5570 1 20 . 1 1 5 5 CYS H H 5 7.090 7.090 7.438 -0.348 19287 5571 1 20 . 1 1 6 6 GLU N N 6 110.710 110.710 118.178 -7.468 19287 5572 1 20 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.351 -0.169 19287 5573 1 20 . 1 1 6 6 GLU C C 6 176.310 176.310 176.550 -0.240 19287 5574 1 20 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.756 -0.246 19287 5575 1 20 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.121 -0.961 19287 5576 1 20 . 1 1 6 6 GLU H H 6 7.300 7.300 7.638 -0.338 19287 5577 1 20 . 1 1 7 7 LEU N N 7 119.090 119.090 120.903 -1.813 19287 5578 1 20 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.245 -0.085 19287 5579 1 20 . 1 1 7 7 LEU C C 7 176.630 176.630 175.965 0.665 19287 5580 1 20 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.516 -0.006 19287 5581 1 20 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.698 -0.368 19287 5582 1 20 . 1 1 7 7 LEU H H 7 7.210 7.210 7.226 -0.016 19287 5583 1 20 . 1 1 8 8 ALA N N 8 124.490 124.490 121.461 3.029 19287 5584 1 20 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.672 -0.422 19287 5585 1 20 . 1 1 8 8 ALA C C 8 174.710 174.710 175.580 -0.870 19287 5586 1 20 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.743 1.467 19287 5587 1 20 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.303 -2.373 19287 5588 1 20 . 1 1 8 8 ALA H H 8 8.280 8.280 8.194 0.086 19287 5589 1 20 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.562 -0.382 19287 5590 1 20 . 1 1 9 9 PRO C C 9 176.700 176.700 176.870 -0.170 19287 5591 1 20 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.940 -1.450 19287 5592 1 20 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.966 -1.606 19287 5593 1 20 . 1 1 10 10 SER N N 10 112.100 112.100 121.327 -9.227 19287 5594 1 20 . 1 1 10 10 SER HA H 10 4.630 4.630 4.386 0.244 19287 5595 1 20 . 1 1 10 10 SER C C 10 174.190 174.190 174.972 -0.782 19287 5596 1 20 . 1 1 10 10 SER CA C 10 55.360 55.360 56.672 -1.312 19287 5597 1 20 . 1 1 10 10 SER CB C 10 64.550 64.550 62.028 2.522 19287 5598 1 20 . 1 1 10 10 SER H H 10 7.450 7.450 8.461 -1.011 19287 5599 1 20 . 1 1 11 11 ALA N N 11 129.980 129.980 124.174 5.806 19287 5600 1 20 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.004 0.492 19287 5601 1 20 . 1 1 11 11 ALA C C 11 178.510 178.510 178.103 0.407 19287 5602 1 20 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.552 1.258 19287 5603 1 20 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.858 1.052 19287 5604 1 20 . 1 1 11 11 ALA H H 11 9.210 9.210 8.104 1.106 19287 5605 1 20 . 1 1 12 12 GLY N N 12 104.410 104.410 104.099 0.311 19287 5606 1 20 . 1 1 12 12 GLY C C 12 174.850 174.850 175.900 -1.050 19287 5607 1 20 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.548 -1.099 19287 5608 1 20 . 1 1 12 12 GLY H H 12 8.190 8.190 8.442 -0.252 19287 5609 1 20 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.687 -0.437 19287 5610 1 20 . 1 1 14 14 CYS C C 14 172.410 172.410 173.541 -1.131 19287 5611 1 20 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.161 1.589 19287 5612 1 20 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.915 8.216 19287 5613 1 20 . 1 1 15 15 PHE N N 15 116.000 116.000 124.130 -8.130 19287 5614 1 20 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.517 -0.137 19287 5615 1 20 . 1 1 15 15 PHE C C 15 174.300 174.300 174.782 -0.482 19287 5616 1 20 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.917 -1.087 19287 5617 1 20 . 1 1 15 15 PHE CB C 15 39.440 39.440 38.889 0.551 19287 5618 1 20 . 1 1 15 15 PHE H H 15 7.960 7.960 8.815 -0.855 19287 5619 1 20 . 1 1 16 16 ALA N N 16 125.630 125.630 130.005 -4.375 19287 5620 1 20 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.603 -0.283 19287 5621 1 20 . 1 1 16 16 ALA C C 16 174.300 174.300 175.470 -1.170 19287 5622 1 20 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.466 -1.336 19287 5623 1 20 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.498 -2.318 19287 5624 1 20 . 1 1 16 16 ALA H H 16 7.800 7.800 7.864 -0.064 19287 5625 1 20 . 1 1 17 17 PHE N N 17 116.330 116.330 123.632 -7.302 19287 5626 1 20 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.706 -0.316 19287 5627 1 20 . 1 1 17 17 PHE C C 17 175.310 175.310 174.130 1.180 19287 5628 1 20 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.014 2.146 19287 5629 1 20 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.652 -1.272 19287 5630 1 20 . 1 1 17 17 PHE H H 17 7.330 7.330 8.485 -1.155 19287 5631 1 20 . 1 1 18 18 VAL N N 18 122.890 122.890 125.033 -2.143 19287 5632 1 20 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.612 -0.137 19287 5633 1 20 . 1 1 18 18 VAL C C 18 173.590 173.590 173.587 0.003 19287 5634 1 20 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.611 0.289 19287 5635 1 20 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.270 0.630 19287 5636 1 20 . 1 1 18 18 VAL H H 18 8.680 8.680 8.245 0.435 19287 5637 1 20 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.652 -0.377 19287 5638 1 20 . 1 1 19 19 PRO C C 19 176.940 176.940 176.634 0.306 19287 5639 1 20 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.583 1.477 19287 5640 1 20 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.785 -0.075 19287 5641 1 20 . 1 1 20 20 SER N N 20 120.230 120.230 119.526 0.704 19287 5642 1 20 . 1 1 20 20 SER HA H 20 4.780 4.780 4.707 0.073 19287 5643 1 20 . 1 1 20 20 SER C C 20 170.900 170.900 172.993 -2.093 19287 5644 1 20 . 1 1 20 20 SER CA C 20 57.450 57.450 57.237 0.213 19287 5645 1 20 . 1 1 20 20 SER CB C 20 67.910 67.910 66.428 1.482 19287 5646 1 20 . 1 1 20 20 SER H H 20 8.390 8.390 7.921 0.469 19287 5647 1 20 . 1 1 21 21 TYR N N 21 118.220 118.220 118.737 -0.517 19287 5648 1 20 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.180 0.420 19287 5649 1 20 . 1 1 21 21 TYR C C 21 173.770 173.770 175.288 -1.518 19287 5650 1 20 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.360 -0.620 19287 5651 1 20 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.950 0.710 19287 5652 1 20 . 1 1 21 21 TYR H H 21 9.020 9.020 8.728 0.292 19287 5653 1 20 . 1 1 22 22 TYR N N 22 119.260 119.260 125.186 -5.926 19287 5654 1 20 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.958 0.152 19287 5655 1 20 . 1 1 22 22 TYR C C 22 172.610 172.610 174.366 -1.756 19287 5656 1 20 . 1 1 22 22 TYR CA C 22 55.380 55.380 55.633 -0.252 19287 5657 1 20 . 1 1 22 22 TYR CB C 22 41.550 41.550 43.009 -1.459 19287 5658 1 20 . 1 1 22 22 TYR H H 22 9.410 9.410 9.689 -0.279 19287 5659 1 20 . 1 1 23 23 TYR N N 23 123.200 123.200 123.321 -0.121 19287 5660 1 20 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.953 -0.571 19287 5661 1 20 . 1 1 23 23 TYR C C 23 173.250 173.250 173.696 -0.446 19287 5662 1 20 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.085 1.275 19287 5663 1 20 . 1 1 23 23 TYR CB C 23 39.570 39.570 41.936 -2.366 19287 5664 1 20 . 1 1 23 23 TYR H H 23 10.190 10.190 8.352 1.838 19287 5665 1 20 . 1 1 24 24 ASN N N 24 126.280 126.280 125.797 0.483 19287 5666 1 20 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.928 -0.378 19287 5667 1 20 . 1 1 24 24 ASN C C 24 174.000 174.000 175.477 -1.477 19287 5668 1 20 . 1 1 24 24 ASN CA C 24 51.360 51.360 52.113 -0.753 19287 5669 1 20 . 1 1 24 24 ASN CB C 24 40.040 40.040 39.619 0.421 19287 5670 1 20 . 1 1 24 24 ASN H H 24 7.890 7.890 8.532 -0.642 19287 5671 1 20 . 1 1 25 25 GLN N N 25 122.760 122.760 123.902 -1.142 19287 5672 1 20 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.670 0.021 19287 5673 1 20 . 1 1 25 25 GLN C C 25 175.670 175.670 177.203 -1.533 19287 5674 1 20 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.297 -0.817 19287 5675 1 20 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.552 0.568 19287 5676 1 20 . 1 1 25 25 GLN H H 25 8.440 8.440 8.205 0.235 19287 5677 1 20 . 1 1 26 26 TYR N N 26 119.190 119.190 119.962 -0.772 19287 5678 1 20 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.229 -0.069 19287 5679 1 20 . 1 1 26 26 TYR C C 26 176.520 176.520 177.199 -0.679 19287 5680 1 20 . 1 1 26 26 TYR CA C 26 60.170 60.170 60.011 0.159 19287 5681 1 20 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.700 -0.820 19287 5682 1 20 . 1 1 26 26 TYR H H 26 7.810 7.810 7.701 0.109 19287 5683 1 20 . 1 1 27 27 SER N N 27 109.600 109.600 111.814 -2.214 19287 5684 1 20 . 1 1 27 27 SER HA H 27 4.330 4.330 4.553 -0.223 19287 5685 1 20 . 1 1 27 27 SER C C 27 174.830 174.830 174.016 0.814 19287 5686 1 20 . 1 1 27 27 SER CA C 27 57.490 57.490 57.550 -0.060 19287 5687 1 20 . 1 1 27 27 SER CB C 27 64.640 64.640 64.099 0.541 19287 5688 1 20 . 1 1 27 27 SER H H 27 7.350 7.350 7.583 -0.233 19287 5689 1 20 . 1 1 28 28 ASN N N 28 119.830 119.830 119.227 0.603 19287 5690 1 20 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.351 -0.291 19287 5691 1 20 . 1 1 28 28 ASN C C 28 173.040 173.040 174.393 -1.353 19287 5692 1 20 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.696 -0.866 19287 5693 1 20 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.173 -0.773 19287 5694 1 20 . 1 1 28 28 ASN H H 28 7.930 7.930 8.095 -0.165 19287 5695 1 20 . 1 1 29 29 THR N N 29 103.070 103.070 111.085 -8.015 19287 5696 1 20 . 1 1 29 29 THR HA H 29 4.441 4.441 4.722 -0.281 19287 5697 1 20 . 1 1 29 29 THR C C 29 172.980 172.980 172.156 0.824 19287 5698 1 20 . 1 1 29 29 THR CA C 29 58.920 58.920 61.611 -2.691 19287 5699 1 20 . 1 1 29 29 THR CB C 29 73.260 73.260 71.470 1.790 19287 5700 1 20 . 1 1 29 29 THR H H 29 6.990 6.990 7.579 -0.589 19287 5701 1 20 . 1 1 30 30 CYS N N 30 118.340 118.340 118.819 -0.479 19287 5702 1 20 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.107 0.355 19287 5703 1 20 . 1 1 30 30 CYS C C 30 173.320 173.320 173.135 0.185 19287 5704 1 20 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.386 0.363 19287 5705 1 20 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.637 19.043 19287 5706 1 20 . 1 1 30 30 CYS H H 30 8.954 8.954 8.601 0.353 19287 5707 1 20 . 1 1 31 31 HIS N N 31 118.930 118.930 119.349 -0.419 19287 5708 1 20 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.066 -0.286 19287 5709 1 20 . 1 1 31 31 HIS C C 31 172.790 172.790 173.638 -0.848 19287 5710 1 20 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.665 -2.135 19287 5711 1 20 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.447 -0.407 19287 5712 1 20 . 1 1 31 31 HIS H H 31 9.010 9.010 9.254 -0.244 19287 5713 1 20 . 1 1 32 32 SER N N 32 117.600 117.600 119.440 -1.840 19287 5714 1 20 . 1 1 32 32 SER HA H 32 4.700 4.700 4.544 0.156 19287 5715 1 20 . 1 1 32 32 SER C C 32 174.930 174.930 173.706 1.224 19287 5716 1 20 . 1 1 32 32 SER CA C 32 57.980 57.980 58.511 -0.531 19287 5717 1 20 . 1 1 32 32 SER CB C 32 64.440 64.440 63.423 1.017 19287 5718 1 20 . 1 1 32 32 SER H H 32 8.740 8.740 8.181 0.559 19287 5719 1 20 . 1 1 33 33 PHE N N 33 120.690 120.690 120.064 0.626 19287 5720 1 20 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.018 -0.228 19287 5721 1 20 . 1 1 33 33 PHE C C 33 171.810 171.810 173.299 -1.489 19287 5722 1 20 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.877 0.323 19287 5723 1 20 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.075 -0.845 19287 5724 1 20 . 1 1 33 33 PHE H H 33 8.830 8.830 8.953 -0.123 19287 5725 1 20 . 1 1 34 34 THR N N 34 116.650 116.650 111.585 5.065 19287 5726 1 20 . 1 1 34 34 THR HA H 34 3.965 3.965 4.399 -0.434 19287 5727 1 20 . 1 1 34 34 THR C C 34 172.600 172.600 172.509 0.091 19287 5728 1 20 . 1 1 34 34 THR CA C 34 61.980 61.980 60.679 1.301 19287 5729 1 20 . 1 1 34 34 THR CB C 34 68.530 68.530 69.471 -0.941 19287 5730 1 20 . 1 1 34 34 THR H H 34 8.400 8.400 8.189 0.211 19287 5731 1 20 . 1 1 35 35 TYR N N 35 127.790 127.790 125.848 1.942 19287 5732 1 20 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.754 -0.254 19287 5733 1 20 . 1 1 35 35 TYR C C 35 174.200 174.200 173.750 0.450 19287 5734 1 20 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.971 -1.841 19287 5735 1 20 . 1 1 35 35 TYR CB C 35 39.650 39.650 41.971 -2.321 19287 5736 1 20 . 1 1 35 35 TYR H H 35 8.010 8.010 7.995 0.015 19287 5737 1 20 . 1 1 39 39 GLY N N 39 103.730 103.730 109.255 -5.525 19287 5738 1 20 . 1 1 39 39 GLY C C 39 175.700 175.700 174.696 1.004 19287 5739 1 20 . 1 1 39 39 GLY CA C 39 45.370 45.370 45.473 -0.103 19287 5740 1 20 . 1 1 39 39 GLY H H 39 8.500 8.500 8.518 -0.018 19287 5741 1 20 . 1 1 40 40 GLY N N 40 110.170 110.170 112.461 -2.291 19287 5742 1 20 . 1 1 40 40 GLY C C 40 173.140 173.140 173.013 0.127 19287 5743 1 20 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.556 -0.236 19287 5744 1 20 . 1 1 40 40 GLY H H 40 8.670 8.670 8.340 0.330 19287 5745 1 20 . 1 1 41 41 ASN N N 41 116.960 116.960 117.441 -0.481 19287 5746 1 20 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.921 -0.361 19287 5747 1 20 . 1 1 41 41 ASN C C 41 173.670 173.670 176.020 -2.350 19287 5748 1 20 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.466 -0.616 19287 5749 1 20 . 1 1 41 41 ASN CB C 41 40.230 40.230 41.391 -1.161 19287 5750 1 20 . 1 1 41 41 ASN H H 41 8.790 8.790 8.627 0.163 19287 5751 1 20 . 1 1 42 42 ALA N N 42 113.290 113.290 123.215 -9.925 19287 5752 1 20 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.071 -0.351 19287 5753 1 20 . 1 1 42 42 ALA C C 42 177.220 177.220 177.969 -0.749 19287 5754 1 20 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.592 -1.782 19287 5755 1 20 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.576 -0.596 19287 5756 1 20 . 1 1 42 42 ALA H H 42 7.590 7.590 8.726 -1.136 19287 5757 1 20 . 1 1 43 43 ASN N N 43 117.710 117.710 115.423 2.287 19287 5758 1 20 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.564 0.136 19287 5759 1 20 . 1 1 43 43 ASN C C 43 173.660 173.660 174.253 -0.593 19287 5760 1 20 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.404 -3.774 19287 5761 1 20 . 1 1 43 43 ASN CB C 43 34.840 34.840 37.980 -3.140 19287 5762 1 20 . 1 1 43 43 ASN H H 43 7.900 7.900 8.100 -0.200 19287 5763 1 20 . 1 1 44 44 ARG N N 44 120.690 120.690 119.744 0.946 19287 5764 1 20 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.518 0.174 19287 5765 1 20 . 1 1 44 44 ARG C C 44 173.530 173.530 174.260 -0.730 19287 5766 1 20 . 1 1 44 44 ARG CA C 44 56.660 56.660 55.718 0.942 19287 5767 1 20 . 1 1 44 44 ARG CB C 44 31.450 31.450 30.054 1.396 19287 5768 1 20 . 1 1 44 44 ARG H H 44 6.860 6.860 6.905 -0.045 19287 5769 1 20 . 1 1 45 45 PHE N N 45 123.690 123.690 122.750 0.940 19287 5770 1 20 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.932 -0.122 19287 5771 1 20 . 1 1 45 45 PHE C C 45 175.420 175.420 175.625 -0.205 19287 5772 1 20 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.010 -0.340 19287 5773 1 20 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.054 1.736 19287 5774 1 20 . 1 1 45 45 PHE H H 45 9.340 9.340 8.642 0.698 19287 5775 1 20 . 1 1 46 46 ARG N N 46 120.920 120.920 118.117 2.803 19287 5776 1 20 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.518 -0.121 19287 5777 1 20 . 1 1 46 46 ARG C C 46 176.560 176.560 175.909 0.651 19287 5778 1 20 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.720 2.490 19287 5779 1 20 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.786 0.114 19287 5780 1 20 . 1 1 46 46 ARG H H 46 9.080 9.080 8.662 0.418 19287 5781 1 20 . 1 1 47 47 THR N N 47 102.800 102.800 111.858 -9.058 19287 5782 1 20 . 1 1 47 47 THR HA H 47 4.660 4.660 3.812 0.848 19287 5783 1 20 . 1 1 47 47 THR C C 47 174.110 174.110 173.245 0.865 19287 5784 1 20 . 1 1 47 47 THR CA C 47 58.170 58.170 59.295 -1.125 19287 5785 1 20 . 1 1 47 47 THR CB C 47 72.380 72.380 71.148 1.232 19287 5786 1 20 . 1 1 47 47 THR H H 47 7.230 7.230 7.266 -0.036 19287 5787 1 20 . 1 1 48 48 ILE N N 48 123.200 123.200 123.413 -0.213 19287 5788 1 20 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.746 -0.845 19287 5789 1 20 . 1 1 48 48 ILE C C 48 176.420 176.420 176.153 0.267 19287 5790 1 20 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.590 0.410 19287 5791 1 20 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.333 -1.273 19287 5792 1 20 . 1 1 48 48 ILE H H 48 8.110 8.110 7.882 0.228 19287 5793 1 20 . 1 1 49 49 ASP N N 49 119.560 119.560 121.156 -1.596 19287 5794 1 20 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.235 -0.105 19287 5795 1 20 . 1 1 49 49 ASP C C 49 177.740 177.740 178.007 -0.267 19287 5796 1 20 . 1 1 49 49 ASP CA C 49 56.690 56.690 58.451 -1.761 19287 5797 1 20 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.017 -0.047 19287 5798 1 20 . 1 1 49 49 ASP H H 49 7.700 7.700 7.567 0.133 19287 5799 1 20 . 1 1 50 50 GLU N N 50 117.720 117.720 119.533 -1.813 19287 5800 1 20 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.135 -0.425 19287 5801 1 20 . 1 1 50 50 GLU C C 50 177.550 177.550 178.667 -1.117 19287 5802 1 20 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.849 -0.299 19287 5803 1 20 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.176 0.014 19287 5804 1 20 . 1 1 50 50 GLU H H 50 7.410 7.410 8.458 -1.048 19287 5805 1 20 . 1 1 51 51 CYS N N 51 120.260 120.260 118.562 1.698 19287 5806 1 20 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.601 -1.951 19287 5807 1 20 . 1 1 51 51 CYS C C 51 175.070 175.070 176.521 -1.451 19287 5808 1 20 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.248 -2.128 19287 5809 1 20 . 1 1 51 51 CYS CB C 51 43.000 43.000 25.894 17.106 19287 5810 1 20 . 1 1 51 51 CYS H H 51 6.760 6.760 7.843 -1.083 19287 5811 1 20 . 1 1 52 52 ASN N N 52 120.160 120.160 119.116 1.044 19287 5812 1 20 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.482 -0.392 19287 5813 1 20 . 1 1 52 52 ASN C C 52 177.820 177.820 177.935 -0.115 19287 5814 1 20 . 1 1 52 52 ASN CA C 52 55.060 55.060 55.790 -0.730 19287 5815 1 20 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.090 -0.590 19287 5816 1 20 . 1 1 52 52 ASN H H 52 8.650 8.650 8.523 0.127 19287 5817 1 20 . 1 1 53 53 ARG N N 53 117.000 117.000 119.363 -2.363 19287 5818 1 20 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.177 -0.407 19287 5819 1 20 . 1 1 53 53 ARG C C 53 177.360 177.360 178.314 -0.954 19287 5820 1 20 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.368 0.122 19287 5821 1 20 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.400 0.780 19287 5822 1 20 . 1 1 53 53 ARG H H 53 7.900 7.900 8.174 -0.274 19287 5823 1 20 . 1 1 54 54 THR N N 54 112.080 112.080 112.797 -0.717 19287 5824 1 20 . 1 1 54 54 THR HA H 54 3.838 3.838 4.307 -0.469 19287 5825 1 20 . 1 1 54 54 THR C C 54 174.990 174.990 174.278 0.712 19287 5826 1 20 . 1 1 54 54 THR CA C 54 65.740 65.740 65.338 0.402 19287 5827 1 20 . 1 1 54 54 THR CB C 54 68.870 68.870 69.510 -0.640 19287 5828 1 20 . 1 1 54 54 THR H H 54 7.260 7.260 8.203 -0.943 19287 5829 1 20 . 1 1 55 55 CYS N N 55 112.540 112.540 116.515 -3.975 19287 5830 1 20 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.446 -0.046 19287 5831 1 20 . 1 1 55 55 CYS C C 55 172.940 172.940 173.646 -0.706 19287 5832 1 20 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.525 -4.295 19287 5833 1 20 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.274 13.656 19287 5834 1 20 . 1 1 55 55 CYS H H 55 7.590 7.590 7.616 -0.026 19287 5835 1 20 . 1 1 56 56 VAL N N 56 119.720 119.720 123.320 -3.600 19287 5836 1 20 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.125 -0.494 19287 5837 1 20 . 1 1 56 56 VAL C C 56 176.710 176.710 175.882 0.828 19287 5838 1 20 . 1 1 56 56 VAL CA C 56 64.540 64.540 62.363 2.177 19287 5839 1 20 . 1 1 56 56 VAL CB C 56 30.970 30.970 29.745 1.225 19287 5840 1 20 . 1 1 56 56 VAL H H 56 7.280 7.280 7.964 -0.684 19287 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 47 4.088 1.819 3.701 19287 2 1 1 "Average Difference" HA 54 0.347 0.145 0.319 19287 3 1 1 "Average Difference" C 51 1.021 0.308 0.983 19287 4 1 1 "Average Difference" CA 51 1.447 0.389 1.407 19287 5 1 1 "Average Difference" CB 48 4.956 -1.224 4.853 19287 6 1 1 "Average Difference" HN 47 0.536 0.095 0.533 19287 7 1 2 "Average Difference" N 47 4.038 1.781 3.663 19287 8 1 2 "Average Difference" HA 54 0.457 0.190 0.419 19287 9 1 2 "Average Difference" C 51 1.017 0.318 0.975 19287 10 1 2 "Average Difference" CA 51 1.481 0.388 1.443 19287 11 1 2 "Average Difference" CB 48 4.910 -1.226 4.805 19287 12 1 2 "Average Difference" HN 47 0.568 0.112 0.563 19287 13 1 3 "Average Difference" N 47 4.231 1.832 3.855 19287 14 1 3 "Average Difference" HA 54 0.468 0.201 0.426 19287 15 1 3 "Average Difference" C 51 0.950 0.271 0.920 19287 16 1 3 "Average Difference" CA 51 1.386 0.262 1.375 19287 17 1 3 "Average Difference" CB 48 4.936 -1.385 4.788 19287 18 1 3 "Average Difference" HN 47 0.623 0.051 0.628 19287 19 1 4 "Average Difference" N 47 4.073 1.764 3.711 19287 20 1 4 "Average Difference" HA 54 0.405 0.124 0.389 19287 21 1 4 "Average Difference" C 51 1.103 0.253 1.084 19287 22 1 4 "Average Difference" CA 51 1.406 0.286 1.390 19287 23 1 4 "Average Difference" CB 48 4.931 -1.258 4.819 19287 24 1 4 "Average Difference" HN 47 0.561 0.072 0.563 19287 25 1 5 "Average Difference" N 47 3.969 1.802 3.575 19287 26 1 5 "Average Difference" HA 54 0.459 0.203 0.415 19287 27 1 5 "Average Difference" C 51 1.177 0.256 1.160 19287 28 1 5 "Average Difference" CA 51 1.473 0.230 1.470 19287 29 1 5 "Average Difference" CB 48 4.875 -1.304 4.747 19287 30 1 5 "Average Difference" HN 47 0.607 0.072 0.609 19287 31 1 6 "Average Difference" N 47 4.045 1.575 3.767 19287 32 1 6 "Average Difference" HA 54 0.374 0.158 0.342 19287 33 1 6 "Average Difference" C 51 1.193 0.309 1.164 19287 34 1 6 "Average Difference" CA 51 1.455 0.318 1.434 19287 35 1 6 "Average Difference" CB 48 4.960 -1.317 4.833 19287 36 1 6 "Average Difference" HN 47 0.599 0.052 0.604 19287 37 1 7 "Average Difference" N 47 4.380 1.782 4.044 19287 38 1 7 "Average Difference" HA 54 0.461 0.193 0.422 19287 39 1 7 "Average Difference" C 51 0.925 0.264 0.896 19287 40 1 7 "Average Difference" CA 51 1.416 0.227 1.412 19287 41 1 7 "Average Difference" CB 48 4.916 -1.164 4.827 19287 42 1 7 "Average Difference" HN 47 0.595 0.070 0.597 19287 43 1 8 "Average Difference" N 47 3.916 1.903 3.460 19287 44 1 8 "Average Difference" HA 54 0.446 0.178 0.413 19287 45 1 8 "Average Difference" C 51 1.067 0.311 1.031 19287 46 1 8 "Average Difference" CA 51 1.464 0.391 1.425 19287 47 1 8 "Average Difference" CB 48 4.842 -1.242 4.730 19287 48 1 8 "Average Difference" HN 47 0.602 0.119 0.597 19287 49 1 9 "Average Difference" N 47 4.196 2.027 3.714 19287 50 1 9 "Average Difference" HA 54 0.396 0.172 0.361 19287 51 1 9 "Average Difference" C 51 1.115 0.291 1.087 19287 52 1 9 "Average Difference" CA 51 1.501 0.377 1.468 19287 53 1 9 "Average Difference" CB 48 4.999 -1.400 4.850 19287 54 1 9 "Average Difference" HN 47 0.569 0.078 0.570 19287 55 1 10 "Average Difference" N 47 4.215 2.061 3.716 19287 56 1 10 "Average Difference" HA 54 0.376 0.174 0.337 19287 57 1 10 "Average Difference" C 51 1.062 0.406 0.991 19287 58 1 10 "Average Difference" CA 51 1.499 0.403 1.458 19287 59 1 10 "Average Difference" CB 48 5.069 -1.368 4.933 19287 60 1 10 "Average Difference" HN 47 0.496 0.102 0.491 19287 61 1 11 "Average Difference" N 47 3.870 1.626 3.550 19287 62 1 11 "Average Difference" HA 54 0.458 0.202 0.415 19287 63 1 11 "Average Difference" C 51 0.980 0.259 0.954 19287 64 1 11 "Average Difference" CA 51 1.382 0.206 1.380 19287 65 1 11 "Average Difference" CB 48 4.919 -1.308 4.792 19287 66 1 11 "Average Difference" HN 47 0.600 0.040 0.606 19287 67 1 12 "Average Difference" N 47 4.379 2.051 3.911 19287 68 1 12 "Average Difference" HA 54 0.367 0.155 0.336 19287 69 1 12 "Average Difference" C 51 1.087 0.308 1.053 19287 70 1 12 "Average Difference" CA 51 1.438 0.255 1.430 19287 71 1 12 "Average Difference" CB 48 4.950 -1.268 4.836 19287 72 1 12 "Average Difference" HN 47 0.541 0.025 0.546 19287 73 1 13 "Average Difference" N 47 3.912 1.470 3.664 19287 74 1 13 "Average Difference" HA 54 0.420 0.190 0.378 19287 75 1 13 "Average Difference" C 51 1.168 0.290 1.143 19287 76 1 13 "Average Difference" CA 51 1.392 0.233 1.386 19287 77 1 13 "Average Difference" CB 48 4.928 -1.295 4.805 19287 78 1 13 "Average Difference" HN 47 0.605 0.057 0.609 19287 79 1 14 "Average Difference" N 47 4.173 1.997 3.703 19287 80 1 14 "Average Difference" HA 54 0.383 0.191 0.335 19287 81 1 14 "Average Difference" C 51 1.054 0.288 1.023 19287 82 1 14 "Average Difference" CA 51 1.341 0.271 1.326 19287 83 1 14 "Average Difference" CB 48 5.056 -1.336 4.928 19287 84 1 14 "Average Difference" HN 47 0.597 0.066 0.600 19287 85 1 15 "Average Difference" N 47 4.226 1.811 3.860 19287 86 1 15 "Average Difference" HA 54 0.442 0.132 0.426 19287 87 1 15 "Average Difference" C 51 0.923 0.361 0.858 19287 88 1 15 "Average Difference" CA 51 1.509 0.453 1.454 19287 89 1 15 "Average Difference" CB 48 5.019 -1.320 4.894 19287 90 1 15 "Average Difference" HN 47 0.584 0.093 0.583 19287 91 1 16 "Average Difference" N 47 4.130 1.721 3.794 19287 92 1 16 "Average Difference" HA 54 0.437 0.199 0.393 19287 93 1 16 "Average Difference" C 51 1.019 0.267 0.994 19287 94 1 16 "Average Difference" CA 51 1.367 0.330 1.340 19287 95 1 16 "Average Difference" CB 48 4.953 -1.359 4.813 19287 96 1 16 "Average Difference" HN 47 0.614 0.067 0.617 19287 97 1 17 "Average Difference" N 47 4.424 1.888 4.044 19287 98 1 17 "Average Difference" HA 54 0.367 0.152 0.337 19287 99 1 17 "Average Difference" C 51 1.034 0.274 1.007 19287 100 1 17 "Average Difference" CA 51 1.427 0.243 1.420 19287 101 1 17 "Average Difference" CB 48 4.994 -1.382 4.849 19287 102 1 17 "Average Difference" HN 47 0.584 0.035 0.589 19287 103 1 18 "Average Difference" N 47 3.691 1.750 3.285 19287 104 1 18 "Average Difference" HA 54 0.393 0.187 0.349 19287 105 1 18 "Average Difference" C 51 0.976 0.356 0.918 19287 106 1 18 "Average Difference" CA 51 1.496 0.356 1.467 19287 107 1 18 "Average Difference" CB 48 4.923 -1.316 4.794 19287 108 1 18 "Average Difference" HN 47 0.583 0.065 0.585 19287 109 1 19 "Average Difference" N 47 4.452 1.644 4.182 19287 110 1 19 "Average Difference" HA 54 0.378 0.142 0.354 19287 111 1 19 "Average Difference" C 51 1.035 0.294 1.002 19287 112 1 19 "Average Difference" CA 51 1.396 0.268 1.384 19287 113 1 19 "Average Difference" CB 48 4.854 -1.270 4.734 19287 114 1 19 "Average Difference" HN 47 0.571 0.077 0.571 19287 115 1 20 "Average Difference" N 47 4.059 1.735 3.709 19287 116 1 20 "Average Difference" HA 54 0.430 0.157 0.404 19287 117 1 20 "Average Difference" C 51 0.993 0.367 0.932 19287 118 1 20 "Average Difference" CA 51 1.480 0.359 1.450 19287 119 1 20 "Average Difference" CB 48 4.923 -1.305 4.797 19287 120 1 20 "Average Difference" HN 47 0.590 0.103 0.587 19287 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 19287 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.017 4.017 4.431 -0.414 19287 2 1 . 1 1 2 2 PRO C C 2 177.920 177.920 177.609 0.311 19287 3 1 . 1 1 2 2 PRO CA C 2 62.800 62.800 62.276 0.524 19287 4 1 . 1 1 2 2 PRO CB C 2 32.050 32.050 32.664 -0.615 19287 5 1 . 1 1 3 3 ARG N N 3 122.340 122.340 122.068 0.272 19287 6 1 . 1 1 3 3 ARG HA H 3 3.786 3.786 4.125 -0.339 19287 7 1 . 1 1 3 3 ARG C C 3 178.950 178.950 177.472 1.478 19287 8 1 . 1 1 3 3 ARG CA C 3 58.410 58.410 58.030 0.380 19287 9 1 . 1 1 3 3 ARG CB C 3 29.220 29.220 29.219 0.000 19287 10 1 . 1 1 3 3 ARG H H 3 8.550 8.550 8.778 -0.228 19287 11 1 . 1 1 4 4 PHE N N 4 113.010 113.010 116.771 -3.761 19287 12 1 . 1 1 4 4 PHE HA H 4 4.300 4.300 4.538 -0.238 19287 13 1 . 1 1 4 4 PHE C C 4 176.070 176.070 176.294 -0.224 19287 14 1 . 1 1 4 4 PHE CA C 4 58.220 58.220 58.228 -0.008 19287 15 1 . 1 1 4 4 PHE CB C 4 37.310 37.310 37.972 -0.662 19287 16 1 . 1 1 4 4 PHE H H 4 7.150 7.150 7.724 -0.574 19287 17 1 . 1 1 5 5 CYS N N 5 118.600 118.600 117.083 1.517 19287 18 1 . 1 1 5 5 CYS HA H 5 4.130 4.130 4.248 -0.118 19287 19 1 . 1 1 5 5 CYS C C 5 173.450 173.450 174.887 -1.437 19287 20 1 . 1 1 5 5 CYS CA C 5 57.960 57.960 59.770 -1.810 19287 21 1 . 1 1 5 5 CYS CB C 5 39.210 39.210 25.862 13.349 19287 22 1 . 1 1 5 5 CYS H H 5 7.090 7.090 7.261 -0.171 19287 23 1 . 1 1 6 6 GLU N N 6 110.710 110.710 118.407 -7.697 19287 24 1 . 1 1 6 6 GLU HA H 6 4.182 4.182 4.403 -0.221 19287 25 1 . 1 1 6 6 GLU C C 6 176.310 176.310 176.286 0.024 19287 26 1 . 1 1 6 6 GLU CA C 6 55.510 55.510 55.378 0.132 19287 27 1 . 1 1 6 6 GLU CB C 6 28.160 28.160 29.203 -1.043 19287 28 1 . 1 1 6 6 GLU H H 6 7.300 7.300 7.680 -0.380 19287 29 1 . 1 1 7 7 LEU N N 7 119.090 119.090 120.997 -1.907 19287 30 1 . 1 1 7 7 LEU HA H 7 4.160 4.160 4.331 -0.171 19287 31 1 . 1 1 7 7 LEU C C 7 176.630 176.630 176.018 0.612 19287 32 1 . 1 1 7 7 LEU CA C 7 54.510 54.510 54.239 0.271 19287 33 1 . 1 1 7 7 LEU CB C 7 42.330 42.330 42.697 -0.367 19287 34 1 . 1 1 7 7 LEU H H 7 7.210 7.210 7.218 -0.008 19287 35 1 . 1 1 8 8 ALA N N 8 124.490 124.490 121.868 2.622 19287 36 1 . 1 1 8 8 ALA HA H 8 4.250 4.250 4.721 -0.471 19287 37 1 . 1 1 8 8 ALA C C 8 174.710 174.710 175.512 -0.802 19287 38 1 . 1 1 8 8 ALA CA C 8 50.210 50.210 48.727 1.483 19287 39 1 . 1 1 8 8 ALA CB C 8 16.930 16.930 19.460 -2.530 19287 40 1 . 1 1 8 8 ALA H H 8 8.280 8.280 8.267 0.013 19287 41 1 . 1 1 9 9 PRO HA H 9 4.180 4.180 4.639 -0.459 19287 42 1 . 1 1 9 9 PRO C C 9 176.700 176.700 176.569 0.131 19287 43 1 . 1 1 9 9 PRO CA C 9 61.490 61.490 62.815 -1.325 19287 44 1 . 1 1 9 9 PRO CB C 9 30.360 30.360 31.773 -1.413 19287 45 1 . 1 1 10 10 SER N N 10 112.100 112.100 121.337 -9.237 19287 46 1 . 1 1 10 10 SER HA H 10 4.630 4.630 4.394 0.236 19287 47 1 . 1 1 10 10 SER C C 10 174.190 174.190 175.043 -0.853 19287 48 1 . 1 1 10 10 SER CA C 10 55.360 55.360 56.983 -1.623 19287 49 1 . 1 1 10 10 SER CB C 10 64.550 64.550 62.245 2.305 19287 50 1 . 1 1 10 10 SER H H 10 7.450 7.450 8.527 -1.077 19287 51 1 . 1 1 11 11 ALA N N 11 129.980 129.980 126.232 3.748 19287 52 1 . 1 1 11 11 ALA HA H 11 4.496 4.496 4.067 0.429 19287 53 1 . 1 1 11 11 ALA C C 11 178.510 178.510 178.398 0.112 19287 54 1 . 1 1 11 11 ALA CA C 11 54.810 54.810 53.741 1.069 19287 55 1 . 1 1 11 11 ALA CB C 11 19.910 19.910 18.866 1.044 19287 56 1 . 1 1 11 11 ALA H H 11 9.210 9.210 8.140 1.070 19287 57 1 . 1 1 12 12 GLY N N 12 104.410 104.410 104.652 -0.242 19287 58 1 . 1 1 12 12 GLY C C 12 174.850 174.850 175.654 -0.804 19287 59 1 . 1 1 12 12 GLY CA C 12 44.450 44.450 45.207 -0.757 19287 60 1 . 1 1 12 12 GLY H H 12 8.190 8.190 8.310 -0.120 19287 61 1 . 1 1 14 14 CYS HA H 14 4.250 4.250 4.636 -0.386 19287 62 1 . 1 1 14 14 CYS C C 14 172.410 172.410 173.496 -1.086 19287 63 1 . 1 1 14 14 CYS CA C 14 59.750 59.750 58.142 1.608 19287 64 1 . 1 1 14 14 CYS CB C 14 39.130 39.130 30.352 8.778 19287 65 1 . 1 1 15 15 PHE N N 15 116.000 116.000 124.227 -8.227 19287 66 1 . 1 1 15 15 PHE HA H 15 4.380 4.380 4.616 -0.236 19287 67 1 . 1 1 15 15 PHE C C 15 174.300 174.300 174.476 -0.176 19287 68 1 . 1 1 15 15 PHE CA C 15 56.830 56.830 57.824 -0.994 19287 69 1 . 1 1 15 15 PHE CB C 15 39.440 39.440 39.178 0.262 19287 70 1 . 1 1 15 15 PHE H H 15 7.960 7.960 8.681 -0.721 19287 71 1 . 1 1 16 16 ALA N N 16 125.630 125.630 130.486 -4.856 19287 72 1 . 1 1 16 16 ALA HA H 16 4.320 4.320 4.500 -0.180 19287 73 1 . 1 1 16 16 ALA C C 16 174.300 174.300 175.192 -0.892 19287 74 1 . 1 1 16 16 ALA CA C 16 50.130 50.130 51.641 -1.511 19287 75 1 . 1 1 16 16 ALA CB C 16 19.180 19.180 21.703 -2.523 19287 76 1 . 1 1 16 16 ALA H H 16 7.800 7.800 7.938 -0.138 19287 77 1 . 1 1 17 17 PHE N N 17 116.330 116.330 122.506 -6.176 19287 78 1 . 1 1 17 17 PHE HA H 17 4.390 4.390 4.817 -0.427 19287 79 1 . 1 1 17 17 PHE C C 17 175.310 175.310 174.000 1.310 19287 80 1 . 1 1 17 17 PHE CA C 17 57.160 57.160 55.704 1.456 19287 81 1 . 1 1 17 17 PHE CB C 17 39.380 39.380 40.750 -1.370 19287 82 1 . 1 1 17 17 PHE H H 17 7.330 7.330 8.376 -1.046 19287 83 1 . 1 1 18 18 VAL N N 18 122.890 122.890 124.729 -1.839 19287 84 1 . 1 1 18 18 VAL HA H 18 4.475 4.475 4.538 -0.063 19287 85 1 . 1 1 18 18 VAL C C 18 173.590 173.590 173.400 0.190 19287 86 1 . 1 1 18 18 VAL CA C 18 58.900 58.900 58.449 0.451 19287 87 1 . 1 1 18 18 VAL CB C 18 33.900 33.900 33.873 0.028 19287 88 1 . 1 1 18 18 VAL H H 18 8.680 8.680 8.525 0.155 19287 89 1 . 1 1 19 19 PRO HA H 19 4.275 4.275 4.601 -0.326 19287 90 1 . 1 1 19 19 PRO C C 19 176.940 176.940 176.419 0.521 19287 91 1 . 1 1 19 19 PRO CA C 19 64.060 64.060 62.567 1.493 19287 92 1 . 1 1 19 19 PRO CB C 19 31.710 31.710 31.505 0.205 19287 93 1 . 1 1 20 20 SER N N 20 120.230 120.230 118.523 1.707 19287 94 1 . 1 1 20 20 SER HA H 20 4.780 4.780 4.707 0.073 19287 95 1 . 1 1 20 20 SER C C 20 170.900 170.900 172.998 -2.098 19287 96 1 . 1 1 20 20 SER CA C 20 57.450 57.450 56.764 0.687 19287 97 1 . 1 1 20 20 SER CB C 20 67.910 67.910 66.250 1.660 19287 98 1 . 1 1 20 20 SER H H 20 8.390 8.390 7.972 0.418 19287 99 1 . 1 1 21 21 TYR N N 21 118.220 118.220 119.096 -0.876 19287 100 1 . 1 1 21 21 TYR HA H 21 5.600 5.600 5.075 0.525 19287 101 1 . 1 1 21 21 TYR C C 21 173.770 173.770 175.060 -1.290 19287 102 1 . 1 1 21 21 TYR CA C 21 57.740 57.740 58.126 -0.386 19287 103 1 . 1 1 21 21 TYR CB C 21 42.660 42.660 41.888 0.772 19287 104 1 . 1 1 21 21 TYR H H 21 9.020 9.020 8.640 0.380 19287 105 1 . 1 1 22 22 TYR N N 22 119.260 119.260 124.984 -5.723 19287 106 1 . 1 1 22 22 TYR HA H 22 5.110 5.110 4.766 0.344 19287 107 1 . 1 1 22 22 TYR C C 22 172.610 172.610 173.965 -1.355 19287 108 1 . 1 1 22 22 TYR CA C 22 55.380 55.380 56.146 -0.766 19287 109 1 . 1 1 22 22 TYR CB C 22 41.550 41.550 42.404 -0.854 19287 110 1 . 1 1 22 22 TYR H H 22 9.410 9.410 9.597 -0.187 19287 111 1 . 1 1 23 23 TYR N N 23 123.200 123.200 127.353 -4.153 19287 112 1 . 1 1 23 23 TYR HA H 23 4.382 4.382 4.919 -0.537 19287 113 1 . 1 1 23 23 TYR C C 23 173.250 173.250 174.236 -0.986 19287 114 1 . 1 1 23 23 TYR CA C 23 58.360 58.360 57.224 1.136 19287 115 1 . 1 1 23 23 TYR CB C 23 39.570 39.570 40.406 -0.836 19287 116 1 . 1 1 23 23 TYR H H 23 10.190 10.190 8.580 1.610 19287 117 1 . 1 1 24 24 ASN N N 24 126.280 126.280 127.312 -1.032 19287 118 1 . 1 1 24 24 ASN HA H 24 4.550 4.550 4.920 -0.370 19287 119 1 . 1 1 24 24 ASN C C 24 174.000 174.000 175.344 -1.344 19287 120 1 . 1 1 24 24 ASN CA C 24 51.360 51.360 51.757 -0.397 19287 121 1 . 1 1 24 24 ASN CB C 24 40.040 40.040 38.896 1.145 19287 122 1 . 1 1 24 24 ASN H H 24 7.890 7.890 8.630 -0.740 19287 123 1 . 1 1 25 25 GLN N N 25 122.760 122.760 123.149 -0.389 19287 124 1 . 1 1 25 25 GLN HA H 25 3.691 3.691 3.686 0.005 19287 125 1 . 1 1 25 25 GLN C C 25 175.670 175.670 176.872 -1.202 19287 126 1 . 1 1 25 25 GLN CA C 25 57.480 57.480 58.295 -0.815 19287 127 1 . 1 1 25 25 GLN CB C 25 28.120 28.120 27.665 0.455 19287 128 1 . 1 1 25 25 GLN H H 25 8.440 8.440 8.126 0.314 19287 129 1 . 1 1 26 26 TYR N N 26 119.190 119.190 119.460 -0.270 19287 130 1 . 1 1 26 26 TYR HA H 26 4.160 4.160 4.280 -0.120 19287 131 1 . 1 1 26 26 TYR C C 26 176.520 176.520 176.908 -0.388 19287 132 1 . 1 1 26 26 TYR CA C 26 60.170 60.170 59.870 0.300 19287 133 1 . 1 1 26 26 TYR CB C 26 36.880 36.880 37.813 -0.933 19287 134 1 . 1 1 26 26 TYR H H 26 7.810 7.810 7.713 0.097 19287 135 1 . 1 1 27 27 SER N N 27 109.600 109.600 111.999 -2.399 19287 136 1 . 1 1 27 27 SER HA H 27 4.330 4.330 4.554 -0.224 19287 137 1 . 1 1 27 27 SER C C 27 174.830 174.830 173.950 0.880 19287 138 1 . 1 1 27 27 SER CA C 27 57.490 57.490 57.454 0.036 19287 139 1 . 1 1 27 27 SER CB C 27 64.640 64.640 64.003 0.637 19287 140 1 . 1 1 27 27 SER H H 27 7.350 7.350 7.637 -0.287 19287 141 1 . 1 1 28 28 ASN N N 28 119.830 119.830 119.071 0.759 19287 142 1 . 1 1 28 28 ASN HA H 28 4.060 4.060 4.364 -0.304 19287 143 1 . 1 1 28 28 ASN C C 28 173.040 173.040 174.262 -1.222 19287 144 1 . 1 1 28 28 ASN CA C 28 53.830 53.830 54.639 -0.809 19287 145 1 . 1 1 28 28 ASN CB C 28 37.400 37.400 38.076 -0.676 19287 146 1 . 1 1 28 28 ASN H H 28 7.930 7.930 7.940 -0.010 19287 147 1 . 1 1 29 29 THR N N 29 103.070 103.070 111.281 -8.211 19287 148 1 . 1 1 29 29 THR HA H 29 4.441 4.441 4.698 -0.257 19287 149 1 . 1 1 29 29 THR C C 29 172.980 172.980 172.040 0.941 19287 150 1 . 1 1 29 29 THR CA C 29 58.920 58.920 61.439 -2.519 19287 151 1 . 1 1 29 29 THR CB C 29 73.260 73.260 71.174 2.086 19287 152 1 . 1 1 29 29 THR H H 29 6.990 6.990 7.667 -0.677 19287 153 1 . 1 1 30 30 CYS N N 30 118.340 118.340 119.472 -1.132 19287 154 1 . 1 1 30 30 CYS HA H 30 5.462 5.462 5.485 -0.023 19287 155 1 . 1 1 30 30 CYS C C 30 173.320 173.320 173.500 -0.180 19287 156 1 . 1 1 30 30 CYS CA C 30 57.750 57.750 57.514 0.236 19287 157 1 . 1 1 30 30 CYS CB C 30 50.680 50.680 31.521 19.159 19287 158 1 . 1 1 30 30 CYS H H 30 8.954 8.954 8.653 0.301 19287 159 1 . 1 1 31 31 HIS N N 31 118.930 118.930 120.690 -1.760 19287 160 1 . 1 1 31 31 HIS HA H 31 4.780 4.780 5.073 -0.293 19287 161 1 . 1 1 31 31 HIS C C 31 172.790 172.790 173.710 -0.920 19287 162 1 . 1 1 31 31 HIS CA C 31 53.530 53.530 55.478 -1.948 19287 163 1 . 1 1 31 31 HIS CB C 31 33.040 33.040 33.244 -0.204 19287 164 1 . 1 1 31 31 HIS H H 31 9.010 9.010 9.542 -0.532 19287 165 1 . 1 1 32 32 SER N N 32 117.600 117.600 120.219 -2.619 19287 166 1 . 1 1 32 32 SER HA H 32 4.700 4.700 4.283 0.417 19287 167 1 . 1 1 32 32 SER C C 32 174.930 174.930 173.750 1.180 19287 168 1 . 1 1 32 32 SER CA C 32 57.980 57.980 58.937 -0.957 19287 169 1 . 1 1 32 32 SER CB C 32 64.440 64.440 63.297 1.143 19287 170 1 . 1 1 32 32 SER H H 32 8.740 8.740 8.182 0.558 19287 171 1 . 1 1 33 33 PHE N N 33 120.690 120.690 120.212 0.478 19287 172 1 . 1 1 33 33 PHE HA H 33 4.790 4.790 5.012 -0.222 19287 173 1 . 1 1 33 33 PHE C C 33 171.810 171.810 173.578 -1.768 19287 174 1 . 1 1 33 33 PHE CA C 33 56.200 56.200 55.910 0.290 19287 175 1 . 1 1 33 33 PHE CB C 33 40.230 40.230 41.325 -1.095 19287 176 1 . 1 1 33 33 PHE H H 33 8.830 8.830 8.950 -0.120 19287 177 1 . 1 1 34 34 THR N N 34 116.650 116.650 112.012 4.638 19287 178 1 . 1 1 34 34 THR HA H 34 3.965 3.965 4.297 -0.332 19287 179 1 . 1 1 34 34 THR C C 34 172.600 172.600 172.521 0.079 19287 180 1 . 1 1 34 34 THR CA C 34 61.980 61.980 60.848 1.133 19287 181 1 . 1 1 34 34 THR CB C 34 68.530 68.530 69.565 -1.035 19287 182 1 . 1 1 34 34 THR H H 34 8.400 8.400 8.205 0.195 19287 183 1 . 1 1 35 35 TYR N N 35 127.790 127.790 125.840 1.950 19287 184 1 . 1 1 35 35 TYR HA H 35 4.500 4.500 4.693 -0.193 19287 185 1 . 1 1 35 35 TYR C C 35 174.200 174.200 173.980 0.220 19287 186 1 . 1 1 35 35 TYR CA C 35 55.130 55.130 56.653 -1.523 19287 187 1 . 1 1 35 35 TYR CB C 35 39.650 39.650 42.065 -2.415 19287 188 1 . 1 1 35 35 TYR H H 35 8.010 8.010 8.202 -0.192 19287 189 1 . 1 1 39 39 GLY N N 39 103.730 103.730 109.556 -5.826 19287 190 1 . 1 1 39 39 GLY C C 39 175.700 175.700 173.874 1.826 19287 191 1 . 1 1 39 39 GLY CA C 39 45.370 45.370 44.808 0.562 19287 192 1 . 1 1 39 39 GLY H H 39 8.500 8.500 8.083 0.417 19287 193 1 . 1 1 40 40 GLY N N 40 110.170 110.170 109.465 0.705 19287 194 1 . 1 1 40 40 GLY C C 40 173.140 173.140 173.233 -0.093 19287 195 1 . 1 1 40 40 GLY CA C 40 44.320 44.320 44.806 -0.486 19287 196 1 . 1 1 40 40 GLY H H 40 8.670 8.670 8.005 0.665 19287 197 1 . 1 1 41 41 ASN N N 41 116.960 116.960 118.071 -1.111 19287 198 1 . 1 1 41 41 ASN HA H 41 4.560 4.560 4.925 -0.365 19287 199 1 . 1 1 41 41 ASN C C 41 173.670 173.670 175.754 -2.084 19287 200 1 . 1 1 41 41 ASN CA C 41 51.850 51.850 52.188 -0.338 19287 201 1 . 1 1 41 41 ASN CB C 41 40.230 40.230 40.792 -0.562 19287 202 1 . 1 1 41 41 ASN H H 41 8.790 8.790 8.576 0.214 19287 203 1 . 1 1 42 42 ALA N N 42 113.290 113.290 122.544 -9.254 19287 204 1 . 1 1 42 42 ALA HA H 42 3.720 3.720 4.105 -0.385 19287 205 1 . 1 1 42 42 ALA C C 42 177.220 177.220 178.130 -0.910 19287 206 1 . 1 1 42 42 ALA CA C 42 52.810 52.810 54.592 -1.782 19287 207 1 . 1 1 42 42 ALA CB C 42 17.980 17.980 18.609 -0.629 19287 208 1 . 1 1 42 42 ALA H H 42 7.590 7.590 8.683 -1.092 19287 209 1 . 1 1 43 43 ASN N N 43 117.710 117.710 115.070 2.640 19287 210 1 . 1 1 43 43 ASN HA H 43 4.700 4.700 4.576 0.124 19287 211 1 . 1 1 43 43 ASN C C 43 173.660 173.660 174.923 -1.262 19287 212 1 . 1 1 43 43 ASN CA C 43 50.630 50.630 54.050 -3.420 19287 213 1 . 1 1 43 43 ASN CB C 43 34.840 34.840 38.045 -3.205 19287 214 1 . 1 1 43 43 ASN H H 43 7.900 7.900 8.105 -0.205 19287 215 1 . 1 1 44 44 ARG N N 44 120.690 120.690 120.436 0.254 19287 216 1 . 1 1 44 44 ARG HA H 44 4.692 4.692 4.348 0.344 19287 217 1 . 1 1 44 44 ARG C C 44 173.530 173.530 174.731 -1.201 19287 218 1 . 1 1 44 44 ARG CA C 44 56.660 56.660 56.524 0.136 19287 219 1 . 1 1 44 44 ARG CB C 44 31.450 31.450 29.859 1.591 19287 220 1 . 1 1 44 44 ARG H H 44 6.860 6.860 7.181 -0.321 19287 221 1 . 1 1 45 45 PHE N N 45 123.690 123.690 123.033 0.657 19287 222 1 . 1 1 45 45 PHE HA H 45 4.810 4.810 4.906 -0.096 19287 223 1 . 1 1 45 45 PHE C C 45 175.420 175.420 175.327 0.093 19287 224 1 . 1 1 45 45 PHE CA C 45 55.670 55.670 56.518 -0.848 19287 225 1 . 1 1 45 45 PHE CB C 45 43.790 43.790 42.729 1.061 19287 226 1 . 1 1 45 45 PHE H H 45 9.340 9.340 8.467 0.873 19287 227 1 . 1 1 46 46 ARG N N 46 120.920 120.920 118.140 2.780 19287 228 1 . 1 1 46 46 ARG HA H 46 4.397 4.397 4.584 -0.187 19287 229 1 . 1 1 46 46 ARG C C 46 176.560 176.560 175.792 0.768 19287 230 1 . 1 1 46 46 ARG CA C 46 58.210 58.210 55.888 2.322 19287 231 1 . 1 1 46 46 ARG CB C 46 30.900 30.900 30.711 0.189 19287 232 1 . 1 1 46 46 ARG H H 46 9.080 9.080 8.747 0.333 19287 233 1 . 1 1 47 47 THR N N 47 102.800 102.800 112.126 -9.326 19287 234 1 . 1 1 47 47 THR HA H 47 4.660 4.660 4.054 0.606 19287 235 1 . 1 1 47 47 THR C C 47 174.110 174.110 173.276 0.834 19287 236 1 . 1 1 47 47 THR CA C 47 58.170 58.170 59.961 -1.791 19287 237 1 . 1 1 47 47 THR CB C 47 72.380 72.380 70.742 1.638 19287 238 1 . 1 1 47 47 THR H H 47 7.230 7.230 7.389 -0.159 19287 239 1 . 1 1 48 48 ILE N N 48 123.200 123.200 124.402 -1.202 19287 240 1 . 1 1 48 48 ILE HA H 48 2.901 2.901 3.633 -0.732 19287 241 1 . 1 1 48 48 ILE C C 48 176.420 176.420 175.883 0.537 19287 242 1 . 1 1 48 48 ILE CA C 48 64.000 64.000 63.236 0.764 19287 243 1 . 1 1 48 48 ILE CB C 48 37.060 37.060 38.130 -1.070 19287 244 1 . 1 1 48 48 ILE H H 48 8.110 8.110 7.961 0.149 19287 245 1 . 1 1 49 49 ASP N N 49 119.560 119.560 119.710 -0.150 19287 246 1 . 1 1 49 49 ASP HA H 49 4.130 4.130 4.271 -0.141 19287 247 1 . 1 1 49 49 ASP C C 49 177.740 177.740 178.317 -0.577 19287 248 1 . 1 1 49 49 ASP CA C 49 56.690 56.690 57.739 -1.049 19287 249 1 . 1 1 49 49 ASP CB C 49 39.970 39.970 40.298 -0.328 19287 250 1 . 1 1 49 49 ASP H H 49 7.700 7.700 7.720 -0.020 19287 251 1 . 1 1 50 50 GLU N N 50 117.720 117.720 119.530 -1.810 19287 252 1 . 1 1 50 50 GLU HA H 50 3.710 3.710 4.217 -0.507 19287 253 1 . 1 1 50 50 GLU C C 50 177.550 177.550 178.423 -0.873 19287 254 1 . 1 1 50 50 GLU CA C 50 58.550 58.550 58.637 -0.087 19287 255 1 . 1 1 50 50 GLU CB C 50 29.190 29.190 29.714 -0.524 19287 256 1 . 1 1 50 50 GLU H H 50 7.410 7.410 7.696 -0.286 19287 257 1 . 1 1 51 51 CYS N N 51 120.260 120.260 118.963 1.297 19287 258 1 . 1 1 51 51 CYS HA H 51 1.650 1.650 3.250 -1.600 19287 259 1 . 1 1 51 51 CYS C C 51 175.070 175.070 176.351 -1.281 19287 260 1 . 1 1 51 51 CYS CA C 51 59.120 59.120 61.171 -2.051 19287 261 1 . 1 1 51 51 CYS CB C 51 43.000 43.000 26.040 16.960 19287 262 1 . 1 1 51 51 CYS H H 51 6.760 6.760 7.777 -1.017 19287 263 1 . 1 1 52 52 ASN N N 52 120.160 120.160 119.816 0.344 19287 264 1 . 1 1 52 52 ASN HA H 52 4.090 4.090 4.417 -0.327 19287 265 1 . 1 1 52 52 ASN C C 52 177.820 177.820 177.637 0.183 19287 266 1 . 1 1 52 52 ASN CA C 52 55.060 55.060 56.006 -0.946 19287 267 1 . 1 1 52 52 ASN CB C 52 37.500 37.500 38.074 -0.574 19287 268 1 . 1 1 52 52 ASN H H 52 8.650 8.650 8.555 0.095 19287 269 1 . 1 1 53 53 ARG N N 53 117.000 117.000 118.408 -1.408 19287 270 1 . 1 1 53 53 ARG HA H 53 3.770 3.770 4.057 -0.287 19287 271 1 . 1 1 53 53 ARG C C 53 177.360 177.360 177.751 -0.391 19287 272 1 . 1 1 53 53 ARG CA C 53 58.490 58.490 58.692 -0.202 19287 273 1 . 1 1 53 53 ARG CB C 53 30.180 30.180 29.397 0.783 19287 274 1 . 1 1 53 53 ARG H H 53 7.900 7.900 7.679 0.221 19287 275 1 . 1 1 54 54 THR N N 54 112.080 112.080 112.140 -0.060 19287 276 1 . 1 1 54 54 THR HA H 54 3.838 3.838 4.431 -0.593 19287 277 1 . 1 1 54 54 THR C C 54 174.990 174.990 174.462 0.528 19287 278 1 . 1 1 54 54 THR CA C 54 65.740 65.740 64.078 1.662 19287 279 1 . 1 1 54 54 THR CB C 54 68.870 68.870 70.106 -1.236 19287 280 1 . 1 1 54 54 THR H H 54 7.260 7.260 7.802 -0.542 19287 281 1 . 1 1 55 55 CYS N N 55 112.540 112.540 117.225 -4.685 19287 282 1 . 1 1 55 55 CYS HA H 55 4.400 4.400 4.439 -0.039 19287 283 1 . 1 1 55 55 CYS C C 55 172.940 172.940 174.091 -1.151 19287 284 1 . 1 1 55 55 CYS CA C 55 54.230 54.230 58.530 -4.300 19287 285 1 . 1 1 55 55 CYS CB C 55 42.930 42.930 29.195 13.735 19287 286 1 . 1 1 55 55 CYS H H 55 7.590 7.590 7.631 -0.041 19287 287 1 . 1 1 56 56 VAL N N 56 119.720 119.720 123.439 -3.719 19287 288 1 . 1 1 56 56 VAL HA H 56 3.631 3.631 4.092 -0.461 19287 289 1 . 1 1 56 56 VAL C C 56 176.710 176.710 176.046 0.664 19287 290 1 . 1 1 56 56 VAL CA C 56 64.540 64.540 63.150 1.390 19287 291 1 . 1 1 56 56 VAL CB C 56 30.970 30.970 30.746 0.224 19287 292 1 . 1 1 56 56 VAL H H 56 7.280 7.280 7.873 -0.593 19287 stop_ save_