data_25753 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25753 _Entry.PDB_ID 2N66 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 25753 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.160 0.110 25753 2 1 1 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.126 1.085 25753 3 1 1 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.072 0.250 25753 4 1 1 . 1 1 3 3 LYS H H 3 8.214 8.214 8.024 0.190 25753 5 1 1 . 1 1 4 4 CYS N N 4 116.570 116.570 121.643 -5.073 25753 6 1 1 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.277 0.417 25753 7 1 1 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.581 -2.809 25753 8 1 1 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.354 14.246 25753 9 1 1 . 1 1 4 4 CYS H H 4 8.430 8.430 8.524 -0.094 25753 10 1 1 . 1 1 5 5 LYS N N 5 118.500 118.500 118.517 -0.017 25753 11 1 1 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.478 1.024 25753 12 1 1 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.038 -1.472 25753 13 1 1 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.497 0.803 25753 14 1 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.697 0.268 25753 15 1 1 . 1 1 6 6 LYS N N 6 121.002 121.002 122.646 -1.644 25753 16 1 1 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.484 0.229 25753 17 1 1 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.113 -0.113 25753 18 1 1 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.605 0.968 25753 19 1 1 . 1 1 6 6 LYS H H 6 8.980 8.980 8.066 0.914 25753 20 1 1 . 1 1 7 7 VAL N N 7 127.157 127.157 124.286 2.871 25753 21 1 1 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.855 0.058 25753 22 1 1 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.351 1.049 25753 23 1 1 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.608 0.056 25753 24 1 1 . 1 1 7 7 VAL H H 7 8.756 8.756 8.474 0.282 25753 25 1 1 . 1 1 8 8 TYR N N 8 129.707 129.707 128.899 0.808 25753 26 1 1 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.359 0.024 25753 27 1 1 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.523 -3.373 25753 28 1 1 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.472 -3.851 25753 29 1 1 . 1 1 8 8 TYR H H 8 9.160 9.160 8.243 0.917 25753 30 1 1 . 1 1 9 9 GLU N N 9 130.601 130.601 122.978 7.623 25753 31 1 1 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753 32 1 1 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.617 -0.719 25753 33 1 1 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.023 -1.010 25753 34 1 1 . 1 1 9 9 GLU H H 9 8.964 8.964 8.981 -0.017 25753 35 1 1 . 1 1 10 10 ASN N N 10 115.766 115.766 114.330 1.436 25753 36 1 1 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.826 -0.461 25753 37 1 1 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.274 0.926 25753 38 1 1 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.158 -2.198 25753 39 1 1 . 1 1 10 10 ASN H H 10 9.232 9.232 8.146 1.086 25753 40 1 1 . 1 1 11 11 TYR N N 11 122.267 122.267 121.930 0.337 25753 41 1 1 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.741 -0.606 25753 42 1 1 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.831 2.116 25753 43 1 1 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.964 -0.859 25753 44 1 1 . 1 1 11 11 TYR H H 11 7.473 7.473 8.327 -0.854 25753 45 1 1 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.537 -0.105 25753 46 1 1 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.824 -0.977 25753 47 1 1 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.497 -2.247 25753 48 1 1 . 1 1 13 13 VAL N N 13 123.595 123.595 125.555 -1.960 25753 49 1 1 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.679 0.075 25753 50 1 1 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.776 0.724 25753 51 1 1 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.638 -0.527 25753 52 1 1 . 1 1 13 13 VAL H H 13 8.102 8.102 8.491 -0.389 25753 53 1 1 . 1 1 14 14 SER N N 14 116.945 116.945 115.401 1.544 25753 54 1 1 . 1 1 14 14 SER HA H 14 4.119 4.119 4.188 -0.069 25753 55 1 1 . 1 1 14 14 SER CA C 14 61.050 61.050 61.126 -0.076 25753 56 1 1 . 1 1 14 14 SER CB C 14 61.239 61.239 62.550 -1.310 25753 57 1 1 . 1 1 14 14 SER H H 14 8.387 8.387 8.200 0.187 25753 58 1 1 . 1 1 15 15 LYS N N 15 121.073 121.073 121.689 -0.616 25753 59 1 1 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.167 -0.098 25753 60 1 1 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.514 0.786 25753 61 1 1 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.945 -0.709 25753 62 1 1 . 1 1 15 15 LYS H H 15 7.821 7.821 8.315 -0.494 25753 63 1 1 . 1 1 16 16 CYS N N 16 115.469 115.469 119.084 -3.615 25753 64 1 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.316 0.420 25753 65 1 1 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.844 -3.044 25753 66 1 1 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.993 14.261 25753 67 1 1 . 1 1 16 16 CYS H H 16 7.844 7.844 7.674 0.170 25753 68 1 1 . 1 1 17 17 GLN N N 17 115.128 115.128 117.240 -2.112 25753 69 1 1 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.014 0.199 25753 70 1 1 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.667 -1.567 25753 71 1 1 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.901 -0.301 25753 72 1 1 . 1 1 17 17 GLN H H 17 7.381 7.381 7.516 -0.135 25753 73 1 1 . 1 1 18 18 LEU N N 18 120.972 120.972 119.907 1.065 25753 74 1 1 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.530 -0.024 25753 75 1 1 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.343 -0.042 25753 76 1 1 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.157 -0.063 25753 77 1 1 . 1 1 18 18 LEU H H 18 7.286 7.286 7.420 -0.134 25753 78 1 1 . 1 1 19 19 ALA N N 19 127.694 127.694 129.044 -1.350 25753 79 1 1 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.014 0.101 25753 80 1 1 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.460 -1.860 25753 81 1 1 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.505 -0.605 25753 82 1 1 . 1 1 19 19 ALA H H 19 8.556 8.556 8.951 -0.395 25753 83 1 1 . 1 1 20 20 ASN N N 20 116.006 116.006 114.806 1.200 25753 84 1 1 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.509 0.119 25753 85 1 1 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.946 -1.246 25753 86 1 1 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.728 1.265 25753 87 1 1 . 1 1 20 20 ASN H H 20 9.044 9.044 8.796 0.248 25753 88 1 1 . 1 1 21 21 GLN N N 21 122.731 122.731 121.107 1.624 25753 89 1 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.361 -0.530 25753 90 1 1 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.048 0.152 25753 91 1 1 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.948 0.142 25753 92 1 1 . 1 1 21 21 GLN H H 21 7.662 7.662 7.782 -0.120 25753 93 1 1 . 1 1 22 22 CYS N N 22 118.925 118.925 119.940 -1.015 25753 94 1 1 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.263 -0.000 25753 95 1 1 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.834 -5.734 25753 96 1 1 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.468 12.033 25753 97 1 1 . 1 1 22 22 CYS H H 22 8.475 8.475 7.919 0.556 25753 98 1 1 . 1 1 23 23 ASN N N 23 118.714 118.714 118.020 0.694 25753 99 1 1 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.471 -0.665 25753 100 1 1 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.117 0.284 25753 101 1 1 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.562 0.469 25753 102 1 1 . 1 1 23 23 ASN H H 23 7.972 7.972 8.277 -0.305 25753 103 1 1 . 1 1 24 24 TYR N N 24 117.828 117.828 120.134 -2.306 25753 104 1 1 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.149 -0.235 25753 105 1 1 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.422 -0.222 25753 106 1 1 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.405 -0.322 25753 107 1 1 . 1 1 24 24 TYR H H 24 8.107 8.107 7.817 0.290 25753 108 1 1 . 1 1 25 25 ASP N N 25 119.620 119.620 117.146 2.474 25753 109 1 1 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.312 0.317 25753 110 1 1 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.958 0.442 25753 111 1 1 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.896 -1.596 25753 112 1 1 . 1 1 25 25 ASP H H 25 9.064 9.064 8.403 0.661 25753 113 1 1 . 1 1 26 26 CYS N N 26 120.031 120.031 120.487 -0.456 25753 114 1 1 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.318 -0.213 25753 115 1 1 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.718 -1.518 25753 116 1 1 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.576 10.024 25753 117 1 1 . 1 1 26 26 CYS H H 26 9.280 9.280 8.421 0.859 25753 118 1 1 . 1 1 27 27 LYS N N 27 119.838 119.838 119.020 0.818 25753 119 1 1 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.345 -0.241 25753 120 1 1 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.062 1.238 25753 121 1 1 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.149 0.051 25753 122 1 1 . 1 1 27 27 LYS H H 27 7.646 7.646 8.511 -0.865 25753 123 1 1 . 1 1 28 28 LEU N N 28 119.791 119.791 121.293 -1.502 25753 124 1 1 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.174 -0.139 25753 125 1 1 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.717 -0.517 25753 126 1 1 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.660 -0.667 25753 127 1 1 . 1 1 28 28 LEU H H 28 8.257 8.257 7.891 0.366 25753 128 1 1 . 1 1 29 29 ASP N N 29 116.737 116.737 118.156 -1.419 25753 129 1 1 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.645 -0.169 25753 130 1 1 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.903 -1.306 25753 131 1 1 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.705 -1.405 25753 132 1 1 . 1 1 29 29 ASP H H 29 8.977 8.977 8.529 0.448 25753 133 1 1 . 1 1 30 30 LYS N N 30 111.907 111.907 116.392 -4.485 25753 134 1 1 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.349 0.132 25753 135 1 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.975 -2.996 25753 136 1 1 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.974 -1.490 25753 137 1 1 . 1 1 30 30 LYS H H 30 6.618 6.618 7.898 -1.280 25753 138 1 1 . 1 1 31 31 HIS N N 31 112.966 112.966 116.191 -3.225 25753 139 1 1 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.275 0.267 25753 140 1 1 . 1 1 31 31 HIS CA C 31 55.900 55.900 55.942 -0.042 25753 141 1 1 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.488 -3.021 25753 142 1 1 . 1 1 31 31 HIS H H 31 7.013 7.013 7.922 -0.909 25753 143 1 1 . 1 1 32 32 ALA N N 32 120.001 120.001 119.793 0.208 25753 144 1 1 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.979 0.076 25753 145 1 1 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.580 -1.180 25753 146 1 1 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.970 -1.070 25753 147 1 1 . 1 1 32 32 ALA H H 32 7.644 7.644 7.398 0.246 25753 148 1 1 . 1 1 33 33 ARG N N 33 116.588 116.588 120.124 -3.536 25753 149 1 1 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.033 0.104 25753 150 1 1 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.584 -0.686 25753 151 1 1 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.767 -0.380 25753 152 1 1 . 1 1 33 33 ARG H H 33 8.254 8.254 8.300 -0.046 25753 153 1 1 . 1 1 34 34 SER N N 34 109.178 109.178 109.359 -0.181 25753 154 1 1 . 1 1 34 34 SER HA H 34 4.593 4.593 4.995 -0.402 25753 155 1 1 . 1 1 34 34 SER CA C 34 57.500 57.500 57.327 0.173 25753 156 1 1 . 1 1 34 34 SER CB C 34 64.825 64.825 67.228 -2.403 25753 157 1 1 . 1 1 34 34 SER H H 34 7.989 7.989 7.646 0.343 25753 158 1 1 . 1 1 35 35 GLY N N 35 107.345 107.345 106.780 0.565 25753 159 1 1 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.881 0.819 25753 160 1 1 . 1 1 35 35 GLY H H 35 8.633 8.633 8.670 -0.037 25753 161 1 1 . 1 1 36 36 GLU N N 36 118.288 118.288 122.033 -3.745 25753 162 1 1 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.854 -0.562 25753 163 1 1 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.604 0.596 25753 164 1 1 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.810 -2.146 25753 165 1 1 . 1 1 36 36 GLU H H 36 8.236 8.236 9.000 -0.764 25753 166 1 1 . 1 1 37 37 CYS N N 37 120.776 120.776 118.935 1.841 25753 167 1 1 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.155 0.848 25753 168 1 1 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.550 -2.350 25753 169 1 1 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.523 17.177 25753 170 1 1 . 1 1 37 37 CYS H H 37 8.856 8.856 8.682 0.174 25753 171 1 1 . 1 1 38 38 PHE N N 38 121.520 121.520 121.875 -0.355 25753 172 1 1 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.857 -0.170 25753 173 1 1 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.716 0.784 25753 174 1 1 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.477 0.536 25753 175 1 1 . 1 1 38 38 PHE H H 38 9.082 9.082 9.212 -0.130 25753 176 1 1 . 1 1 39 39 TYR N N 39 122.581 122.581 122.180 0.401 25753 177 1 1 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.710 -0.098 25753 178 1 1 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.271 0.529 25753 179 1 1 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.950 0.149 25753 180 1 1 . 1 1 39 39 TYR H H 39 8.683 8.683 8.617 0.066 25753 181 1 1 . 1 1 40 40 LYS N N 40 126.022 126.022 125.093 0.929 25753 182 1 1 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.612 -0.293 25753 183 1 1 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.758 0.942 25753 184 1 1 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.310 -1.510 25753 185 1 1 . 1 1 40 40 LYS H H 40 8.319 8.319 8.436 -0.117 25753 186 1 1 . 1 1 41 41 GLU N N 41 120.017 120.017 118.842 1.175 25753 187 1 1 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753 188 1 1 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.142 -1.341 25753 189 1 1 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.960 -0.897 25753 190 1 1 . 1 1 41 41 GLU H H 41 8.657 8.657 8.628 0.029 25753 191 1 1 . 1 1 42 42 LYS N N 42 116.887 116.887 119.901 -3.014 25753 192 1 1 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.157 -0.365 25753 193 1 1 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.307 -0.607 25753 194 1 1 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.492 -1.692 25753 195 1 1 . 1 1 42 42 LYS H H 42 8.468 8.468 8.512 -0.044 25753 196 1 1 . 1 1 43 43 ARG N N 43 115.559 115.559 114.942 0.617 25753 197 1 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.532 -0.306 25753 198 1 1 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.685 0.315 25753 199 1 1 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.665 -1.865 25753 200 1 1 . 1 1 43 43 ARG H H 43 8.165 8.165 8.253 -0.088 25753 201 1 1 . 1 1 44 44 ASN N N 44 117.868 117.868 119.361 -1.493 25753 202 1 1 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.613 0.268 25753 203 1 1 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.943 -1.543 25753 204 1 1 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.214 -0.014 25753 205 1 1 . 1 1 44 44 ASN H H 44 7.983 7.983 8.161 -0.178 25753 206 1 1 . 1 1 45 45 LEU N N 45 125.712 125.712 121.270 4.442 25753 207 1 1 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.579 -0.273 25753 208 1 1 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.745 1.355 25753 209 1 1 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.500 -2.433 25753 210 1 1 . 1 1 45 45 LEU H H 45 8.193 8.193 8.330 -0.137 25753 211 1 1 . 1 1 46 46 GLN N N 46 120.613 120.613 119.365 1.248 25753 212 1 1 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.694 -0.029 25753 213 1 1 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.240 -0.240 25753 214 1 1 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.120 -1.159 25753 215 1 1 . 1 1 46 46 GLN H H 46 8.425 8.425 8.671 -0.246 25753 216 1 1 . 1 1 47 47 CYS N N 47 122.193 122.193 120.979 1.214 25753 217 1 1 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.994 -0.191 25753 218 1 1 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.640 -3.940 25753 219 1 1 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.933 10.067 25753 220 1 1 . 1 1 47 47 CYS H H 47 9.198 9.198 8.963 0.235 25753 221 1 1 . 1 1 48 48 ILE N N 48 129.093 129.093 125.574 3.519 25753 222 1 1 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.647 -0.347 25753 223 1 1 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.724 0.476 25753 224 1 1 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.583 -2.483 25753 225 1 1 . 1 1 48 48 ILE H H 48 8.696 8.696 9.000 -0.304 25753 226 1 1 . 1 1 49 49 CYS N N 49 126.279 126.279 124.169 2.110 25753 227 1 1 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.477 0.790 25753 228 1 1 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.104 -7.717 25753 229 1 1 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.461 6.086 25753 230 1 1 . 1 1 49 49 CYS H H 49 8.555 8.555 8.895 -0.340 25753 231 1 1 . 1 1 50 50 ASP N N 50 122.491 122.491 119.510 2.981 25753 232 1 1 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.864 0.599 25753 233 1 1 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.564 -1.464 25753 234 1 1 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.439 -1.393 25753 235 1 1 . 1 1 50 50 ASP H H 50 8.813 8.813 8.427 0.386 25753 236 1 1 . 1 1 51 51 TYR N N 51 124.921 124.921 121.559 3.362 25753 237 1 1 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753 238 1 1 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.188 1.912 25753 239 1 1 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.633 -0.133 25753 240 1 1 . 1 1 51 51 TYR H H 51 9.633 9.633 8.537 1.096 25753 241 1 1 . 1 1 52 52 CYS N N 52 120.435 120.435 116.429 4.006 25753 242 1 1 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.750 -0.336 25753 243 1 1 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.943 -3.143 25753 244 1 1 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.593 12.407 25753 245 1 1 . 1 1 52 52 CYS H H 52 9.550 9.550 7.567 1.983 25753 246 1 1 . 1 1 53 53 GLU N N 53 120.972 120.972 120.748 0.224 25753 247 1 1 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.405 -0.158 25753 248 1 1 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.380 -1.079 25753 249 1 1 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.187 -0.114 25753 250 1 1 . 1 1 53 53 GLU H H 53 8.335 8.335 8.410 -0.075 25753 251 1 2 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.381 -0.111 25753 252 1 2 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.625 0.586 25753 253 1 2 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.108 -0.786 25753 254 1 2 . 1 1 3 3 LYS H H 3 8.214 8.214 8.149 0.065 25753 255 1 2 . 1 1 4 4 CYS N N 4 116.570 116.570 118.085 -1.515 25753 256 1 2 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.340 0.354 25753 257 1 2 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.730 -2.958 25753 258 1 2 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.425 15.175 25753 259 1 2 . 1 1 4 4 CYS H H 4 8.430 8.430 8.199 0.231 25753 260 1 2 . 1 1 5 5 LYS N N 5 118.500 118.500 118.577 -0.077 25753 261 1 2 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.474 1.028 25753 262 1 2 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.035 -1.469 25753 263 1 2 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.534 0.766 25753 264 1 2 . 1 1 5 5 LYS H H 5 7.965 7.965 7.740 0.225 25753 265 1 2 . 1 1 6 6 LYS N N 6 121.002 121.002 121.902 -0.900 25753 266 1 2 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.503 0.210 25753 267 1 2 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.254 -0.254 25753 268 1 2 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.419 1.155 25753 269 1 2 . 1 1 6 6 LYS H H 6 8.980 8.980 7.938 1.042 25753 270 1 2 . 1 1 7 7 VAL N N 7 127.157 127.157 124.597 2.560 25753 271 1 2 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.895 0.018 25753 272 1 2 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.622 1.778 25753 273 1 2 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.430 0.234 25753 274 1 2 . 1 1 7 7 VAL H H 7 8.756 8.756 8.368 0.388 25753 275 1 2 . 1 1 8 8 TYR N N 8 129.707 129.707 129.186 0.521 25753 276 1 2 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.385 -0.002 25753 277 1 2 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.529 -3.379 25753 278 1 2 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.619 -3.998 25753 279 1 2 . 1 1 8 8 TYR H H 8 9.160 9.160 8.321 0.839 25753 280 1 2 . 1 1 9 9 GLU N N 9 130.601 130.601 123.154 7.447 25753 281 1 2 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.087 0.033 25753 282 1 2 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.820 -0.922 25753 283 1 2 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.123 -1.110 25753 284 1 2 . 1 1 9 9 GLU H H 9 8.964 8.964 8.855 0.109 25753 285 1 2 . 1 1 10 10 ASN N N 10 115.766 115.766 115.192 0.574 25753 286 1 2 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.878 -0.513 25753 287 1 2 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.443 0.757 25753 288 1 2 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.574 -2.614 25753 289 1 2 . 1 1 10 10 ASN H H 10 9.232 9.232 8.366 0.866 25753 290 1 2 . 1 1 11 11 TYR N N 11 122.267 122.267 123.410 -1.143 25753 291 1 2 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.785 -0.650 25753 292 1 2 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.957 1.990 25753 293 1 2 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.232 -1.127 25753 294 1 2 . 1 1 11 11 TYR H H 11 7.473 7.473 8.385 -0.912 25753 295 1 2 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.531 -0.099 25753 296 1 2 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.880 -1.033 25753 297 1 2 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.445 -2.195 25753 298 1 2 . 1 1 13 13 VAL N N 13 123.595 123.595 125.368 -1.773 25753 299 1 2 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.688 0.066 25753 300 1 2 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.846 0.654 25753 301 1 2 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.694 -0.583 25753 302 1 2 . 1 1 13 13 VAL H H 13 8.102 8.102 8.585 -0.483 25753 303 1 2 . 1 1 14 14 SER N N 14 116.945 116.945 115.662 1.283 25753 304 1 2 . 1 1 14 14 SER HA H 14 4.119 4.119 4.307 -0.188 25753 305 1 2 . 1 1 14 14 SER CA C 14 61.050 61.050 61.485 -0.435 25753 306 1 2 . 1 1 14 14 SER CB C 14 61.239 61.239 62.646 -1.407 25753 307 1 2 . 1 1 14 14 SER H H 14 8.387 8.387 8.274 0.113 25753 308 1 2 . 1 1 15 15 LYS N N 15 121.073 121.073 122.275 -1.202 25753 309 1 2 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.135 -0.066 25753 310 1 2 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.567 0.733 25753 311 1 2 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.911 -0.676 25753 312 1 2 . 1 1 15 15 LYS H H 15 7.821 7.821 8.391 -0.570 25753 313 1 2 . 1 1 16 16 CYS N N 16 115.469 115.469 119.256 -3.787 25753 314 1 2 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.295 0.441 25753 315 1 2 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.081 -3.281 25753 316 1 2 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.990 14.264 25753 317 1 2 . 1 1 16 16 CYS H H 16 7.844 7.844 7.733 0.111 25753 318 1 2 . 1 1 17 17 GLN N N 17 115.128 115.128 117.612 -2.484 25753 319 1 2 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.013 0.200 25753 320 1 2 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.639 -1.539 25753 321 1 2 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.896 -0.296 25753 322 1 2 . 1 1 17 17 GLN H H 17 7.381 7.381 7.481 -0.100 25753 323 1 2 . 1 1 18 18 LEU N N 18 120.972 120.972 119.611 1.361 25753 324 1 2 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.550 -0.044 25753 325 1 2 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.451 -0.151 25753 326 1 2 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.133 -0.039 25753 327 1 2 . 1 1 18 18 LEU H H 18 7.286 7.286 7.470 -0.184 25753 328 1 2 . 1 1 19 19 ALA N N 19 127.694 127.694 128.910 -1.216 25753 329 1 2 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.025 0.090 25753 330 1 2 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.418 -1.818 25753 331 1 2 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.578 -0.678 25753 332 1 2 . 1 1 19 19 ALA H H 19 8.556 8.556 8.978 -0.422 25753 333 1 2 . 1 1 20 20 ASN N N 20 116.006 116.006 115.131 0.875 25753 334 1 2 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.478 0.150 25753 335 1 2 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.971 -1.270 25753 336 1 2 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.978 1.015 25753 337 1 2 . 1 1 20 20 ASN H H 20 9.044 9.044 8.801 0.243 25753 338 1 2 . 1 1 21 21 GLN N N 21 122.731 122.731 120.846 1.885 25753 339 1 2 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.307 -0.476 25753 340 1 2 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.163 0.037 25753 341 1 2 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.927 0.163 25753 342 1 2 . 1 1 21 21 GLN H H 21 7.662 7.662 7.659 0.003 25753 343 1 2 . 1 1 22 22 CYS N N 22 118.925 118.925 119.933 -1.008 25753 344 1 2 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.261 0.002 25753 345 1 2 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.830 -5.730 25753 346 1 2 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.465 12.036 25753 347 1 2 . 1 1 22 22 CYS H H 22 8.475 8.475 7.915 0.560 25753 348 1 2 . 1 1 23 23 ASN N N 23 118.714 118.714 117.994 0.720 25753 349 1 2 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.464 -0.658 25753 350 1 2 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.082 0.318 25753 351 1 2 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.574 0.457 25753 352 1 2 . 1 1 23 23 ASN H H 23 7.972 7.972 8.251 -0.279 25753 353 1 2 . 1 1 24 24 TYR N N 24 117.828 117.828 120.151 -2.323 25753 354 1 2 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.155 -0.241 25753 355 1 2 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.438 -0.238 25753 356 1 2 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.430 -0.347 25753 357 1 2 . 1 1 24 24 TYR H H 24 8.107 8.107 7.840 0.267 25753 358 1 2 . 1 1 25 25 ASP N N 25 119.620 119.620 117.167 2.453 25753 359 1 2 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.336 0.293 25753 360 1 2 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.921 0.479 25753 361 1 2 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.926 -1.626 25753 362 1 2 . 1 1 25 25 ASP H H 25 9.064 9.064 8.415 0.649 25753 363 1 2 . 1 1 26 26 CYS N N 26 120.031 120.031 120.470 -0.439 25753 364 1 2 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.317 -0.212 25753 365 1 2 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.733 -1.533 25753 366 1 2 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.579 10.021 25753 367 1 2 . 1 1 26 26 CYS H H 26 9.280 9.280 8.421 0.859 25753 368 1 2 . 1 1 27 27 LYS N N 27 119.838 119.838 119.032 0.806 25753 369 1 2 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.265 -0.161 25753 370 1 2 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.086 1.214 25753 371 1 2 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.092 0.108 25753 372 1 2 . 1 1 27 27 LYS H H 27 7.646 7.646 8.483 -0.837 25753 373 1 2 . 1 1 28 28 LEU N N 28 119.791 119.791 121.215 -1.424 25753 374 1 2 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.408 -0.373 25753 375 1 2 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.741 -0.541 25753 376 1 2 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.805 -0.813 25753 377 1 2 . 1 1 28 28 LEU H H 28 8.257 8.257 7.949 0.308 25753 378 1 2 . 1 1 29 29 ASP N N 29 116.737 116.737 119.514 -2.777 25753 379 1 2 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.634 -0.158 25753 380 1 2 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.504 -0.907 25753 381 1 2 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.610 -1.310 25753 382 1 2 . 1 1 29 29 ASP H H 29 8.977 8.977 8.591 0.386 25753 383 1 2 . 1 1 30 30 LYS N N 30 111.907 111.907 116.773 -4.866 25753 384 1 2 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.288 0.193 25753 385 1 2 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.382 -3.403 25753 386 1 2 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.004 -1.520 25753 387 1 2 . 1 1 30 30 LYS H H 30 6.618 6.618 7.795 -1.177 25753 388 1 2 . 1 1 31 31 HIS N N 31 112.966 112.966 116.070 -3.104 25753 389 1 2 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.291 0.251 25753 390 1 2 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.438 -0.537 25753 391 1 2 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.573 -3.106 25753 392 1 2 . 1 1 31 31 HIS H H 31 7.013 7.013 7.998 -0.985 25753 393 1 2 . 1 1 32 32 ALA N N 32 120.001 120.001 120.197 -0.196 25753 394 1 2 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.938 0.117 25753 395 1 2 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.808 -1.408 25753 396 1 2 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.732 -0.832 25753 397 1 2 . 1 1 32 32 ALA H H 32 7.644 7.644 7.296 0.348 25753 398 1 2 . 1 1 33 33 ARG N N 33 116.588 116.588 120.263 -3.675 25753 399 1 2 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.965 0.172 25753 400 1 2 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.731 -0.833 25753 401 1 2 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.752 -0.365 25753 402 1 2 . 1 1 33 33 ARG H H 33 8.254 8.254 8.381 -0.127 25753 403 1 2 . 1 1 34 34 SER N N 34 109.178 109.178 109.161 0.017 25753 404 1 2 . 1 1 34 34 SER HA H 34 4.593 4.593 4.737 -0.144 25753 405 1 2 . 1 1 34 34 SER CA C 34 57.500 57.500 57.520 -0.020 25753 406 1 2 . 1 1 34 34 SER CB C 34 64.825 64.825 66.499 -1.674 25753 407 1 2 . 1 1 34 34 SER H H 34 7.989 7.989 7.645 0.344 25753 408 1 2 . 1 1 35 35 GLY N N 35 107.345 107.345 106.754 0.591 25753 409 1 2 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.839 0.861 25753 410 1 2 . 1 1 35 35 GLY H H 35 8.633 8.633 8.662 -0.029 25753 411 1 2 . 1 1 36 36 GLU N N 36 118.288 118.288 121.942 -3.654 25753 412 1 2 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.857 -0.565 25753 413 1 2 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.616 0.584 25753 414 1 2 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.849 -2.186 25753 415 1 2 . 1 1 36 36 GLU H H 36 8.236 8.236 9.022 -0.786 25753 416 1 2 . 1 1 37 37 CYS N N 37 120.776 120.776 118.945 1.831 25753 417 1 2 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.166 0.837 25753 418 1 2 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.556 -2.356 25753 419 1 2 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.534 17.166 25753 420 1 2 . 1 1 37 37 CYS H H 37 8.856 8.856 8.686 0.170 25753 421 1 2 . 1 1 38 38 PHE N N 38 121.520 121.520 121.865 -0.345 25753 422 1 2 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.856 -0.169 25753 423 1 2 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.709 0.791 25753 424 1 2 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.468 0.545 25753 425 1 2 . 1 1 38 38 PHE H H 38 9.082 9.082 9.223 -0.141 25753 426 1 2 . 1 1 39 39 TYR N N 39 122.581 122.581 122.187 0.394 25753 427 1 2 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.709 -0.097 25753 428 1 2 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.267 0.533 25753 429 1 2 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.949 0.151 25753 430 1 2 . 1 1 39 39 TYR H H 39 8.683 8.683 8.619 0.064 25753 431 1 2 . 1 1 40 40 LYS N N 40 126.022 126.022 125.431 0.591 25753 432 1 2 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.574 -0.255 25753 433 1 2 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.221 0.479 25753 434 1 2 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.066 -1.266 25753 435 1 2 . 1 1 40 40 LYS H H 40 8.319 8.319 8.449 -0.130 25753 436 1 2 . 1 1 41 41 GLU N N 41 120.017 120.017 117.802 2.215 25753 437 1 2 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753 438 1 2 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.970 -1.170 25753 439 1 2 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.916 0.147 25753 440 1 2 . 1 1 41 41 GLU H H 41 8.657 8.657 8.535 0.122 25753 441 1 2 . 1 1 42 42 LYS N N 42 116.887 116.887 121.074 -4.187 25753 442 1 2 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.211 -0.419 25753 443 1 2 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.978 -0.278 25753 444 1 2 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.587 -1.787 25753 445 1 2 . 1 1 42 42 LYS H H 42 8.468 8.468 8.307 0.161 25753 446 1 2 . 1 1 43 43 ARG N N 43 115.559 115.559 116.828 -1.269 25753 447 1 2 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.460 -0.234 25753 448 1 2 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.873 0.127 25753 449 1 2 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.581 -0.781 25753 450 1 2 . 1 1 43 43 ARG H H 43 8.165 8.165 8.024 0.141 25753 451 1 2 . 1 1 44 44 ASN N N 44 117.868 117.868 119.080 -1.212 25753 452 1 2 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.621 0.260 25753 453 1 2 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.086 -1.686 25753 454 1 2 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.000 0.200 25753 455 1 2 . 1 1 44 44 ASN H H 44 7.983 7.983 7.861 0.122 25753 456 1 2 . 1 1 45 45 LEU N N 45 125.712 125.712 121.352 4.360 25753 457 1 2 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753 458 1 2 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.744 1.356 25753 459 1 2 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.754 -2.687 25753 460 1 2 . 1 1 45 45 LEU H H 45 8.193 8.193 8.349 -0.156 25753 461 1 2 . 1 1 46 46 GLN N N 46 120.613 120.613 119.358 1.255 25753 462 1 2 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.693 -0.028 25753 463 1 2 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.276 -0.276 25753 464 1 2 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.137 -1.176 25753 465 1 2 . 1 1 46 46 GLN H H 46 8.425 8.425 8.627 -0.202 25753 466 1 2 . 1 1 47 47 CYS N N 47 122.193 122.193 121.039 1.154 25753 467 1 2 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.996 -0.193 25753 468 1 2 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.635 -3.935 25753 469 1 2 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.909 10.091 25753 470 1 2 . 1 1 47 47 CYS H H 47 9.198 9.198 8.967 0.231 25753 471 1 2 . 1 1 48 48 ILE N N 48 129.093 129.093 125.607 3.486 25753 472 1 2 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.645 -0.345 25753 473 1 2 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.723 0.477 25753 474 1 2 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.571 -2.471 25753 475 1 2 . 1 1 48 48 ILE H H 48 8.696 8.696 9.013 -0.317 25753 476 1 2 . 1 1 49 49 CYS N N 49 126.279 126.279 124.146 2.133 25753 477 1 2 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.478 0.789 25753 478 1 2 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.037 -7.650 25753 479 1 2 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.514 6.034 25753 480 1 2 . 1 1 49 49 CYS H H 49 8.555 8.555 8.906 -0.351 25753 481 1 2 . 1 1 50 50 ASP N N 50 122.491 122.491 119.640 2.851 25753 482 1 2 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.838 0.625 25753 483 1 2 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.627 -1.527 25753 484 1 2 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.546 -1.500 25753 485 1 2 . 1 1 50 50 ASP H H 50 8.813 8.813 8.413 0.400 25753 486 1 2 . 1 1 51 51 TYR N N 51 124.921 124.921 121.397 3.524 25753 487 1 2 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.800 -0.600 25753 488 1 2 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.011 2.089 25753 489 1 2 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.456 0.044 25753 490 1 2 . 1 1 51 51 TYR H H 51 9.633 9.633 8.581 1.052 25753 491 1 2 . 1 1 52 52 CYS N N 52 120.435 120.435 116.818 3.617 25753 492 1 2 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.757 -0.343 25753 493 1 2 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.936 -3.136 25753 494 1 2 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.949 13.051 25753 495 1 2 . 1 1 52 52 CYS H H 52 9.550 9.550 7.866 1.684 25753 496 1 2 . 1 1 53 53 GLU N N 53 120.972 120.972 118.363 2.609 25753 497 1 2 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.647 -0.400 25753 498 1 2 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.531 -0.231 25753 499 1 2 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.189 -0.116 25753 500 1 2 . 1 1 53 53 GLU H H 53 8.335 8.335 8.303 0.032 25753 501 1 3 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.339 -0.069 25753 502 1 3 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.462 0.749 25753 503 1 3 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.800 -0.478 25753 504 1 3 . 1 1 3 3 LYS H H 3 8.214 8.214 8.104 0.110 25753 505 1 3 . 1 1 4 4 CYS N N 4 116.570 116.570 118.529 -1.959 25753 506 1 3 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.355 0.339 25753 507 1 3 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.756 -2.984 25753 508 1 3 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.264 15.336 25753 509 1 3 . 1 1 4 4 CYS H H 4 8.430 8.430 8.211 0.219 25753 510 1 3 . 1 1 5 5 LYS N N 5 118.500 118.500 118.461 0.039 25753 511 1 3 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.470 1.032 25753 512 1 3 . 1 1 5 5 LYS CA C 5 54.566 54.566 55.985 -1.419 25753 513 1 3 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.488 0.812 25753 514 1 3 . 1 1 5 5 LYS H H 5 7.965 7.965 7.710 0.255 25753 515 1 3 . 1 1 6 6 LYS N N 6 121.002 121.002 121.825 -0.823 25753 516 1 3 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.521 0.192 25753 517 1 3 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.180 -0.180 25753 518 1 3 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.454 1.119 25753 519 1 3 . 1 1 6 6 LYS H H 6 8.980 8.980 8.010 0.970 25753 520 1 3 . 1 1 7 7 VAL N N 7 127.157 127.157 124.362 2.795 25753 521 1 3 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.892 0.021 25753 522 1 3 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.355 1.045 25753 523 1 3 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.685 -0.021 25753 524 1 3 . 1 1 7 7 VAL H H 7 8.756 8.756 8.515 0.241 25753 525 1 3 . 1 1 8 8 TYR N N 8 129.707 129.707 129.371 0.336 25753 526 1 3 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.358 0.025 25753 527 1 3 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.629 -3.479 25753 528 1 3 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.636 -4.016 25753 529 1 3 . 1 1 8 8 TYR H H 8 9.160 9.160 8.299 0.861 25753 530 1 3 . 1 1 9 9 GLU N N 9 130.601 130.601 123.019 7.582 25753 531 1 3 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.101 0.019 25753 532 1 3 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.706 -0.808 25753 533 1 3 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.960 -0.947 25753 534 1 3 . 1 1 9 9 GLU H H 9 8.964 8.964 8.856 0.108 25753 535 1 3 . 1 1 10 10 ASN N N 10 115.766 115.766 114.846 0.920 25753 536 1 3 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.840 -0.475 25753 537 1 3 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.161 1.039 25753 538 1 3 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.911 -1.952 25753 539 1 3 . 1 1 10 10 ASN H H 10 9.232 9.232 8.336 0.896 25753 540 1 3 . 1 1 11 11 TYR N N 11 122.267 122.267 122.749 -0.482 25753 541 1 3 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.774 -0.639 25753 542 1 3 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.960 1.987 25753 543 1 3 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.588 -0.483 25753 544 1 3 . 1 1 11 11 TYR H H 11 7.473 7.473 8.335 -0.862 25753 545 1 3 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.545 -0.113 25753 546 1 3 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.839 -0.992 25753 547 1 3 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.522 -2.272 25753 548 1 3 . 1 1 13 13 VAL N N 13 123.595 123.595 125.545 -1.950 25753 549 1 3 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753 550 1 3 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.791 0.709 25753 551 1 3 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.686 -0.574 25753 552 1 3 . 1 1 13 13 VAL H H 13 8.102 8.102 8.600 -0.498 25753 553 1 3 . 1 1 14 14 SER N N 14 116.945 116.945 115.677 1.268 25753 554 1 3 . 1 1 14 14 SER HA H 14 4.119 4.119 4.204 -0.085 25753 555 1 3 . 1 1 14 14 SER CA C 14 61.050 61.050 61.754 -0.704 25753 556 1 3 . 1 1 14 14 SER CB C 14 61.239 61.239 62.612 -1.373 25753 557 1 3 . 1 1 14 14 SER H H 14 8.387 8.387 8.298 0.089 25753 558 1 3 . 1 1 15 15 LYS N N 15 121.073 121.073 122.486 -1.413 25753 559 1 3 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.113 -0.044 25753 560 1 3 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.848 0.452 25753 561 1 3 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.048 -0.813 25753 562 1 3 . 1 1 15 15 LYS H H 15 7.821 7.821 8.322 -0.501 25753 563 1 3 . 1 1 16 16 CYS N N 16 115.469 115.469 118.732 -3.263 25753 564 1 3 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.297 0.439 25753 565 1 3 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.980 -3.179 25753 566 1 3 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.921 14.333 25753 567 1 3 . 1 1 16 16 CYS H H 16 7.844 7.844 7.650 0.194 25753 568 1 3 . 1 1 17 17 GLN N N 17 115.128 115.128 117.149 -2.021 25753 569 1 3 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.026 0.187 25753 570 1 3 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.576 -1.476 25753 571 1 3 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.959 -0.359 25753 572 1 3 . 1 1 17 17 GLN H H 17 7.381 7.381 7.505 -0.124 25753 573 1 3 . 1 1 18 18 LEU N N 18 120.972 120.972 119.777 1.195 25753 574 1 3 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.598 -0.092 25753 575 1 3 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.316 -0.016 25753 576 1 3 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.387 -0.293 25753 577 1 3 . 1 1 18 18 LEU H H 18 7.286 7.286 7.774 -0.488 25753 578 1 3 . 1 1 19 19 ALA N N 19 127.694 127.694 128.836 -1.142 25753 579 1 3 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.034 0.081 25753 580 1 3 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.566 -1.966 25753 581 1 3 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.468 -0.568 25753 582 1 3 . 1 1 19 19 ALA H H 19 8.556 8.556 8.976 -0.420 25753 583 1 3 . 1 1 20 20 ASN N N 20 116.006 116.006 115.042 0.964 25753 584 1 3 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.406 0.222 25753 585 1 3 . 1 1 20 20 ASN CA C 20 54.700 54.700 56.345 -1.645 25753 586 1 3 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.775 1.218 25753 587 1 3 . 1 1 20 20 ASN H H 20 9.044 9.044 8.788 0.256 25753 588 1 3 . 1 1 21 21 GLN N N 21 122.731 122.731 120.714 2.017 25753 589 1 3 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.286 -0.455 25753 590 1 3 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.219 -0.019 25753 591 1 3 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.782 0.308 25753 592 1 3 . 1 1 21 21 GLN H H 21 7.662 7.662 7.425 0.237 25753 593 1 3 . 1 1 22 22 CYS N N 22 118.925 118.925 119.950 -1.025 25753 594 1 3 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.153 0.110 25753 595 1 3 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.720 -5.620 25753 596 1 3 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.402 12.098 25753 597 1 3 . 1 1 22 22 CYS H H 22 8.475 8.475 7.875 0.600 25753 598 1 3 . 1 1 23 23 ASN N N 23 118.714 118.714 118.127 0.587 25753 599 1 3 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.431 -0.625 25753 600 1 3 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.066 0.334 25753 601 1 3 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.551 0.480 25753 602 1 3 . 1 1 23 23 ASN H H 23 7.972 7.972 8.300 -0.328 25753 603 1 3 . 1 1 24 24 TYR N N 24 117.828 117.828 120.143 -2.315 25753 604 1 3 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.129 -0.215 25753 605 1 3 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.444 -0.244 25753 606 1 3 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.419 -0.336 25753 607 1 3 . 1 1 24 24 TYR H H 24 8.107 8.107 7.897 0.210 25753 608 1 3 . 1 1 25 25 ASP N N 25 119.620 119.620 117.199 2.421 25753 609 1 3 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.347 0.282 25753 610 1 3 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.834 0.566 25753 611 1 3 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.959 -1.659 25753 612 1 3 . 1 1 25 25 ASP H H 25 9.064 9.064 8.410 0.654 25753 613 1 3 . 1 1 26 26 CYS N N 26 120.031 120.031 120.407 -0.376 25753 614 1 3 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.239 -0.134 25753 615 1 3 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.651 -1.451 25753 616 1 3 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.533 10.067 25753 617 1 3 . 1 1 26 26 CYS H H 26 9.280 9.280 8.375 0.905 25753 618 1 3 . 1 1 27 27 LYS N N 27 119.838 119.838 119.026 0.812 25753 619 1 3 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.211 -0.107 25753 620 1 3 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753 621 1 3 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.030 0.170 25753 622 1 3 . 1 1 27 27 LYS H H 27 7.646 7.646 8.453 -0.807 25753 623 1 3 . 1 1 28 28 LEU N N 28 119.791 119.791 121.293 -1.502 25753 624 1 3 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.326 -0.291 25753 625 1 3 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.742 -0.542 25753 626 1 3 . 1 1 28 28 LEU CB C 28 41.992 41.992 43.014 -1.022 25753 627 1 3 . 1 1 28 28 LEU H H 28 8.257 8.257 7.902 0.355 25753 628 1 3 . 1 1 29 29 ASP N N 29 116.737 116.737 118.445 -1.708 25753 629 1 3 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.708 -0.232 25753 630 1 3 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.256 -0.659 25753 631 1 3 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.848 -1.548 25753 632 1 3 . 1 1 29 29 ASP H H 29 8.977 8.977 8.654 0.323 25753 633 1 3 . 1 1 30 30 LYS N N 30 111.907 111.907 116.850 -4.943 25753 634 1 3 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.386 0.095 25753 635 1 3 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.817 -2.838 25753 636 1 3 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.226 -1.742 25753 637 1 3 . 1 1 30 30 LYS H H 30 6.618 6.618 7.903 -1.285 25753 638 1 3 . 1 1 31 31 HIS N N 31 112.966 112.966 116.305 -3.339 25753 639 1 3 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.294 0.248 25753 640 1 3 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.601 -0.701 25753 641 1 3 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.380 -2.913 25753 642 1 3 . 1 1 31 31 HIS H H 31 7.013 7.013 7.988 -0.975 25753 643 1 3 . 1 1 32 32 ALA N N 32 120.001 120.001 120.215 -0.214 25753 644 1 3 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.972 0.083 25753 645 1 3 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.786 -1.386 25753 646 1 3 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.657 -0.757 25753 647 1 3 . 1 1 32 32 ALA H H 32 7.644 7.644 7.325 0.319 25753 648 1 3 . 1 1 33 33 ARG N N 33 116.588 116.588 120.512 -3.924 25753 649 1 3 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.961 0.176 25753 650 1 3 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.907 -1.009 25753 651 1 3 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.651 -0.264 25753 652 1 3 . 1 1 33 33 ARG H H 33 8.254 8.254 8.386 -0.132 25753 653 1 3 . 1 1 34 34 SER N N 34 109.178 109.178 109.217 -0.039 25753 654 1 3 . 1 1 34 34 SER HA H 34 4.593 4.593 4.695 -0.102 25753 655 1 3 . 1 1 34 34 SER CA C 34 57.500 57.500 57.585 -0.085 25753 656 1 3 . 1 1 34 34 SER CB C 34 64.825 64.825 67.107 -2.282 25753 657 1 3 . 1 1 34 34 SER H H 34 7.989 7.989 7.559 0.430 25753 658 1 3 . 1 1 35 35 GLY N N 35 107.345 107.345 106.768 0.577 25753 659 1 3 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.806 0.895 25753 660 1 3 . 1 1 35 35 GLY H H 35 8.633 8.633 8.687 -0.054 25753 661 1 3 . 1 1 36 36 GLU N N 36 118.288 118.288 121.607 -3.319 25753 662 1 3 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.838 -0.546 25753 663 1 3 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.692 0.508 25753 664 1 3 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.889 -2.224 25753 665 1 3 . 1 1 36 36 GLU H H 36 8.236 8.236 9.125 -0.889 25753 666 1 3 . 1 1 37 37 CYS N N 37 120.776 120.776 118.966 1.810 25753 667 1 3 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.178 0.825 25753 668 1 3 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.543 -2.343 25753 669 1 3 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.544 17.156 25753 670 1 3 . 1 1 37 37 CYS H H 37 8.856 8.856 8.676 0.180 25753 671 1 3 . 1 1 38 38 PHE N N 38 121.520 121.520 121.871 -0.351 25753 672 1 3 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.851 -0.164 25753 673 1 3 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.702 0.798 25753 674 1 3 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.502 0.511 25753 675 1 3 . 1 1 38 38 PHE H H 38 9.082 9.082 9.224 -0.142 25753 676 1 3 . 1 1 39 39 TYR N N 39 122.581 122.581 121.832 0.749 25753 677 1 3 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.672 -0.060 25753 678 1 3 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.270 0.530 25753 679 1 3 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.762 0.338 25753 680 1 3 . 1 1 39 39 TYR H H 39 8.683 8.683 8.698 -0.015 25753 681 1 3 . 1 1 40 40 LYS N N 40 126.022 126.022 125.668 0.354 25753 682 1 3 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753 683 1 3 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.394 0.306 25753 684 1 3 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.093 -1.293 25753 685 1 3 . 1 1 40 40 LYS H H 40 8.319 8.319 8.412 -0.093 25753 686 1 3 . 1 1 41 41 GLU N N 41 120.017 120.017 117.845 2.172 25753 687 1 3 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.083 0.044 25753 688 1 3 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.028 -1.228 25753 689 1 3 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.052 0.011 25753 690 1 3 . 1 1 41 41 GLU H H 41 8.657 8.657 8.503 0.154 25753 691 1 3 . 1 1 42 42 LYS N N 42 116.887 116.887 121.258 -4.371 25753 692 1 3 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.265 -0.473 25753 693 1 3 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.024 -0.324 25753 694 1 3 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.517 -1.717 25753 695 1 3 . 1 1 42 42 LYS H H 42 8.468 8.468 8.310 0.158 25753 696 1 3 . 1 1 43 43 ARG N N 43 115.559 115.559 116.730 -1.171 25753 697 1 3 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.473 -0.247 25753 698 1 3 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.886 0.114 25753 699 1 3 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.630 -0.830 25753 700 1 3 . 1 1 43 43 ARG H H 43 8.165 8.165 8.106 0.059 25753 701 1 3 . 1 1 44 44 ASN N N 44 117.868 117.868 119.641 -1.773 25753 702 1 3 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.637 0.244 25753 703 1 3 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.967 -1.567 25753 704 1 3 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.159 0.041 25753 705 1 3 . 1 1 44 44 ASN H H 44 7.983 7.983 7.890 0.093 25753 706 1 3 . 1 1 45 45 LEU N N 45 125.712 125.712 121.261 4.451 25753 707 1 3 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.641 -0.335 25753 708 1 3 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.715 1.385 25753 709 1 3 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.797 -2.731 25753 710 1 3 . 1 1 45 45 LEU H H 45 8.193 8.193 8.401 -0.208 25753 711 1 3 . 1 1 46 46 GLN N N 46 120.613 120.613 119.456 1.157 25753 712 1 3 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.678 -0.013 25753 713 1 3 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.408 -0.408 25753 714 1 3 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.979 -1.018 25753 715 1 3 . 1 1 46 46 GLN H H 46 8.425 8.425 8.702 -0.277 25753 716 1 3 . 1 1 47 47 CYS N N 47 122.193 122.193 121.045 1.148 25753 717 1 3 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.008 -0.205 25753 718 1 3 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.610 -3.910 25753 719 1 3 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.919 10.081 25753 720 1 3 . 1 1 47 47 CYS H H 47 9.198 9.198 8.955 0.243 25753 721 1 3 . 1 1 48 48 ILE N N 48 129.093 129.093 125.549 3.544 25753 722 1 3 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.701 -0.401 25753 723 1 3 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.707 0.493 25753 724 1 3 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.701 -2.601 25753 725 1 3 . 1 1 48 48 ILE H H 48 8.696 8.696 9.052 -0.356 25753 726 1 3 . 1 1 49 49 CYS N N 49 126.279 126.279 124.293 1.986 25753 727 1 3 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.487 0.780 25753 728 1 3 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.959 -7.572 25753 729 1 3 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.396 6.151 25753 730 1 3 . 1 1 49 49 CYS H H 49 8.555 8.555 8.920 -0.365 25753 731 1 3 . 1 1 50 50 ASP N N 50 122.491 122.491 119.632 2.859 25753 732 1 3 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.851 0.612 25753 733 1 3 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.657 -1.557 25753 734 1 3 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.632 -1.586 25753 735 1 3 . 1 1 50 50 ASP H H 50 8.813 8.813 8.397 0.416 25753 736 1 3 . 1 1 51 51 TYR N N 51 124.921 124.921 121.008 3.913 25753 737 1 3 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.834 -0.634 25753 738 1 3 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.211 1.889 25753 739 1 3 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.928 -0.428 25753 740 1 3 . 1 1 51 51 TYR H H 51 9.633 9.633 8.545 1.088 25753 741 1 3 . 1 1 52 52 CYS N N 52 120.435 120.435 117.402 3.033 25753 742 1 3 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.737 -0.323 25753 743 1 3 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.181 -3.381 25753 744 1 3 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.380 12.620 25753 745 1 3 . 1 1 52 52 CYS H H 52 9.550 9.550 8.913 0.637 25753 746 1 3 . 1 1 53 53 GLU N N 53 120.972 120.972 119.899 1.073 25753 747 1 3 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.456 -0.209 25753 748 1 3 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.825 -0.525 25753 749 1 3 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.053 1.020 25753 750 1 3 . 1 1 53 53 GLU H H 53 8.335 8.335 8.187 0.148 25753 751 1 4 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.310 -0.040 25753 752 1 4 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.597 -0.386 25753 753 1 4 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.827 -0.505 25753 754 1 4 . 1 1 3 3 LYS H H 3 8.214 8.214 8.541 -0.327 25753 755 1 4 . 1 1 4 4 CYS N N 4 116.570 116.570 116.454 0.116 25753 756 1 4 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.322 0.372 25753 757 1 4 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.750 -2.978 25753 758 1 4 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.756 14.844 25753 759 1 4 . 1 1 4 4 CYS H H 4 8.430 8.430 8.352 0.078 25753 760 1 4 . 1 1 5 5 LYS N N 5 118.500 118.500 119.202 -0.702 25753 761 1 4 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.450 1.052 25753 762 1 4 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.157 -1.591 25753 763 1 4 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.712 0.588 25753 764 1 4 . 1 1 5 5 LYS H H 5 7.965 7.965 7.749 0.216 25753 765 1 4 . 1 1 6 6 LYS N N 6 121.002 121.002 121.636 -0.634 25753 766 1 4 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.548 0.165 25753 767 1 4 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.247 -0.247 25753 768 1 4 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.596 0.977 25753 769 1 4 . 1 1 6 6 LYS H H 6 8.980 8.980 7.963 1.017 25753 770 1 4 . 1 1 7 7 VAL N N 7 127.157 127.157 124.002 3.155 25753 771 1 4 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.919 -0.006 25753 772 1 4 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.604 0.796 25753 773 1 4 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.870 -0.206 25753 774 1 4 . 1 1 7 7 VAL H H 7 8.756 8.756 8.460 0.296 25753 775 1 4 . 1 1 8 8 TYR N N 8 129.707 129.707 129.317 0.390 25753 776 1 4 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.360 0.023 25753 777 1 4 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.773 -3.623 25753 778 1 4 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.689 -4.068 25753 779 1 4 . 1 1 8 8 TYR H H 8 9.160 9.160 8.210 0.950 25753 780 1 4 . 1 1 9 9 GLU N N 9 130.601 130.601 122.995 7.606 25753 781 1 4 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.071 0.049 25753 782 1 4 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.828 -0.930 25753 783 1 4 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.068 -1.055 25753 784 1 4 . 1 1 9 9 GLU H H 9 8.964 8.964 8.938 0.026 25753 785 1 4 . 1 1 10 10 ASN N N 10 115.766 115.766 113.752 2.014 25753 786 1 4 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.817 -0.452 25753 787 1 4 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.392 0.808 25753 788 1 4 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.598 -1.638 25753 789 1 4 . 1 1 10 10 ASN H H 10 9.232 9.232 8.246 0.986 25753 790 1 4 . 1 1 11 11 TYR N N 11 122.267 122.267 121.920 0.347 25753 791 1 4 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.765 -0.630 25753 792 1 4 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.837 2.110 25753 793 1 4 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.752 -0.646 25753 794 1 4 . 1 1 11 11 TYR H H 11 7.473 7.473 8.267 -0.794 25753 795 1 4 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.547 -0.115 25753 796 1 4 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.853 -1.006 25753 797 1 4 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.504 -2.254 25753 798 1 4 . 1 1 13 13 VAL N N 13 123.595 123.595 125.372 -1.777 25753 799 1 4 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.683 0.071 25753 800 1 4 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.630 0.870 25753 801 1 4 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.864 -0.753 25753 802 1 4 . 1 1 13 13 VAL H H 13 8.102 8.102 8.559 -0.457 25753 803 1 4 . 1 1 14 14 SER N N 14 116.945 116.945 114.784 2.161 25753 804 1 4 . 1 1 14 14 SER HA H 14 4.119 4.119 4.253 -0.134 25753 805 1 4 . 1 1 14 14 SER CA C 14 61.050 61.050 61.376 -0.326 25753 806 1 4 . 1 1 14 14 SER CB C 14 61.239 61.239 62.708 -1.469 25753 807 1 4 . 1 1 14 14 SER H H 14 8.387 8.387 8.283 0.104 25753 808 1 4 . 1 1 15 15 LYS N N 15 121.073 121.073 122.082 -1.009 25753 809 1 4 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.156 -0.087 25753 810 1 4 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.717 0.583 25753 811 1 4 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.097 -0.862 25753 812 1 4 . 1 1 15 15 LYS H H 15 7.821 7.821 7.921 -0.100 25753 813 1 4 . 1 1 16 16 CYS N N 16 115.469 115.469 118.694 -3.225 25753 814 1 4 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.281 0.455 25753 815 1 4 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.144 -3.344 25753 816 1 4 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.897 14.357 25753 817 1 4 . 1 1 16 16 CYS H H 16 7.844 7.844 7.690 0.154 25753 818 1 4 . 1 1 17 17 GLN N N 17 115.128 115.128 117.259 -2.131 25753 819 1 4 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.039 0.174 25753 820 1 4 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.586 -1.486 25753 821 1 4 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.968 -0.368 25753 822 1 4 . 1 1 17 17 GLN H H 17 7.381 7.381 7.539 -0.158 25753 823 1 4 . 1 1 18 18 LEU N N 18 120.972 120.972 119.942 1.030 25753 824 1 4 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.620 -0.114 25753 825 1 4 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.208 0.092 25753 826 1 4 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.205 -0.111 25753 827 1 4 . 1 1 18 18 LEU H H 18 7.286 7.286 7.913 -0.627 25753 828 1 4 . 1 1 19 19 ALA N N 19 127.694 127.694 128.891 -1.197 25753 829 1 4 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.995 0.120 25753 830 1 4 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.428 -1.828 25753 831 1 4 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.526 -0.627 25753 832 1 4 . 1 1 19 19 ALA H H 19 8.556 8.556 8.985 -0.429 25753 833 1 4 . 1 1 20 20 ASN N N 20 116.006 116.006 115.026 0.980 25753 834 1 4 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.492 0.136 25753 835 1 4 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.937 -1.237 25753 836 1 4 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.993 1.000 25753 837 1 4 . 1 1 20 20 ASN H H 20 9.044 9.044 8.764 0.280 25753 838 1 4 . 1 1 21 21 GLN N N 21 122.731 122.731 120.873 1.858 25753 839 1 4 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.326 -0.495 25753 840 1 4 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.176 0.024 25753 841 1 4 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.986 0.104 25753 842 1 4 . 1 1 21 21 GLN H H 21 7.662 7.662 7.800 -0.138 25753 843 1 4 . 1 1 22 22 CYS N N 22 118.925 118.925 119.955 -1.030 25753 844 1 4 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.173 0.090 25753 845 1 4 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.795 -5.695 25753 846 1 4 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.447 12.053 25753 847 1 4 . 1 1 22 22 CYS H H 22 8.475 8.475 7.943 0.532 25753 848 1 4 . 1 1 23 23 ASN N N 23 118.714 118.714 118.064 0.650 25753 849 1 4 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.446 -0.640 25753 850 1 4 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.157 0.242 25753 851 1 4 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.504 0.527 25753 852 1 4 . 1 1 23 23 ASN H H 23 7.972 7.972 8.231 -0.259 25753 853 1 4 . 1 1 24 24 TYR N N 24 117.828 117.828 120.058 -2.230 25753 854 1 4 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.158 -0.244 25753 855 1 4 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.456 -0.256 25753 856 1 4 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.433 -0.350 25753 857 1 4 . 1 1 24 24 TYR H H 24 8.107 8.107 7.809 0.298 25753 858 1 4 . 1 1 25 25 ASP N N 25 119.620 119.620 117.223 2.397 25753 859 1 4 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.406 0.223 25753 860 1 4 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.711 0.689 25753 861 1 4 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.960 -1.660 25753 862 1 4 . 1 1 25 25 ASP H H 25 9.064 9.064 8.417 0.647 25753 863 1 4 . 1 1 26 26 CYS N N 26 120.031 120.031 120.453 -0.422 25753 864 1 4 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.250 -0.145 25753 865 1 4 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.672 -1.472 25753 866 1 4 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.529 10.071 25753 867 1 4 . 1 1 26 26 CYS H H 26 9.280 9.280 8.392 0.888 25753 868 1 4 . 1 1 27 27 LYS N N 27 119.838 119.838 119.062 0.776 25753 869 1 4 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.286 -0.182 25753 870 1 4 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.131 1.169 25753 871 1 4 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.078 0.122 25753 872 1 4 . 1 1 27 27 LYS H H 27 7.646 7.646 8.427 -0.781 25753 873 1 4 . 1 1 28 28 LEU N N 28 119.791 119.791 120.310 -0.519 25753 874 1 4 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.340 -0.305 25753 875 1 4 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.790 -0.590 25753 876 1 4 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.670 -0.678 25753 877 1 4 . 1 1 28 28 LEU H H 28 8.257 8.257 7.836 0.421 25753 878 1 4 . 1 1 29 29 ASP N N 29 116.737 116.737 119.574 -2.837 25753 879 1 4 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.619 -0.143 25753 880 1 4 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.380 -0.783 25753 881 1 4 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.634 -1.334 25753 882 1 4 . 1 1 29 29 ASP H H 29 8.977 8.977 8.588 0.389 25753 883 1 4 . 1 1 30 30 LYS N N 30 111.907 111.907 116.817 -4.910 25753 884 1 4 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.311 0.170 25753 885 1 4 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.163 -3.184 25753 886 1 4 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.069 -1.585 25753 887 1 4 . 1 1 30 30 LYS H H 30 6.618 6.618 7.841 -1.223 25753 888 1 4 . 1 1 31 31 HIS N N 31 112.966 112.966 116.410 -3.444 25753 889 1 4 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.281 0.261 25753 890 1 4 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.582 -0.682 25753 891 1 4 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.954 -2.487 25753 892 1 4 . 1 1 31 31 HIS H H 31 7.013 7.013 7.866 -0.853 25753 893 1 4 . 1 1 32 32 ALA N N 32 120.001 120.001 118.946 1.055 25753 894 1 4 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.983 0.072 25753 895 1 4 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.446 -1.046 25753 896 1 4 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.656 -0.756 25753 897 1 4 . 1 1 32 32 ALA H H 32 7.644 7.644 7.260 0.384 25753 898 1 4 . 1 1 33 33 ARG N N 33 116.588 116.588 120.660 -4.072 25753 899 1 4 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.929 0.208 25753 900 1 4 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.964 -1.066 25753 901 1 4 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.617 -0.230 25753 902 1 4 . 1 1 33 33 ARG H H 33 8.254 8.254 8.332 -0.078 25753 903 1 4 . 1 1 34 34 SER N N 34 109.178 109.178 109.096 0.082 25753 904 1 4 . 1 1 34 34 SER HA H 34 4.593 4.593 4.931 -0.338 25753 905 1 4 . 1 1 34 34 SER CA C 34 57.500 57.500 57.314 0.186 25753 906 1 4 . 1 1 34 34 SER CB C 34 64.825 64.825 67.511 -2.686 25753 907 1 4 . 1 1 34 34 SER H H 34 7.989 7.989 7.510 0.479 25753 908 1 4 . 1 1 35 35 GLY N N 35 107.345 107.345 106.922 0.423 25753 909 1 4 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.940 0.760 25753 910 1 4 . 1 1 35 35 GLY H H 35 8.633 8.633 8.448 0.185 25753 911 1 4 . 1 1 36 36 GLU N N 36 118.288 118.288 122.189 -3.901 25753 912 1 4 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.782 -0.490 25753 913 1 4 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.578 1.622 25753 914 1 4 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.231 -0.567 25753 915 1 4 . 1 1 36 36 GLU H H 36 8.236 8.236 8.664 -0.428 25753 916 1 4 . 1 1 37 37 CYS N N 37 120.776 120.776 118.946 1.830 25753 917 1 4 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.141 0.862 25753 918 1 4 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.315 -2.115 25753 919 1 4 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.281 17.419 25753 920 1 4 . 1 1 37 37 CYS H H 37 8.856 8.856 8.644 0.212 25753 921 1 4 . 1 1 38 38 PHE N N 38 121.520 121.520 121.869 -0.349 25753 922 1 4 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.771 -0.084 25753 923 1 4 . 1 1 38 38 PHE CA C 38 56.500 56.500 56.079 0.421 25753 924 1 4 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.919 0.094 25753 925 1 4 . 1 1 38 38 PHE H H 38 9.082 9.082 9.164 -0.082 25753 926 1 4 . 1 1 39 39 TYR N N 39 122.581 122.581 122.269 0.312 25753 927 1 4 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.717 -0.105 25753 928 1 4 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.255 0.545 25753 929 1 4 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.956 0.144 25753 930 1 4 . 1 1 39 39 TYR H H 39 8.683 8.683 8.629 0.054 25753 931 1 4 . 1 1 40 40 LYS N N 40 126.022 126.022 125.055 0.967 25753 932 1 4 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.609 -0.290 25753 933 1 4 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.832 0.868 25753 934 1 4 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.296 -1.496 25753 935 1 4 . 1 1 40 40 LYS H H 40 8.319 8.319 8.447 -0.128 25753 936 1 4 . 1 1 41 41 GLU N N 41 120.017 120.017 118.798 1.219 25753 937 1 4 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.105 0.022 25753 938 1 4 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.210 -1.410 25753 939 1 4 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.920 -0.857 25753 940 1 4 . 1 1 41 41 GLU H H 41 8.657 8.657 8.587 0.070 25753 941 1 4 . 1 1 42 42 LYS N N 42 116.887 116.887 120.040 -3.153 25753 942 1 4 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.157 -0.365 25753 943 1 4 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.383 -0.683 25753 944 1 4 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.502 -1.702 25753 945 1 4 . 1 1 42 42 LYS H H 42 8.468 8.468 8.487 -0.019 25753 946 1 4 . 1 1 43 43 ARG N N 43 115.559 115.559 115.912 -0.353 25753 947 1 4 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.445 -0.219 25753 948 1 4 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.873 0.127 25753 949 1 4 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.133 -1.333 25753 950 1 4 . 1 1 43 43 ARG H H 43 8.165 8.165 8.241 -0.076 25753 951 1 4 . 1 1 44 44 ASN N N 44 117.868 117.868 119.442 -1.574 25753 952 1 4 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.632 0.249 25753 953 1 4 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.869 -1.469 25753 954 1 4 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.074 0.126 25753 955 1 4 . 1 1 44 44 ASN H H 44 7.983 7.983 7.957 0.026 25753 956 1 4 . 1 1 45 45 LEU N N 45 125.712 125.712 120.984 4.728 25753 957 1 4 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.588 -0.282 25753 958 1 4 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.832 1.268 25753 959 1 4 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.671 -2.604 25753 960 1 4 . 1 1 45 45 LEU H H 45 8.193 8.193 8.317 -0.124 25753 961 1 4 . 1 1 46 46 GLN N N 46 120.613 120.613 119.376 1.237 25753 962 1 4 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.688 -0.023 25753 963 1 4 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.196 -0.196 25753 964 1 4 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.089 -1.128 25753 965 1 4 . 1 1 46 46 GLN H H 46 8.425 8.425 8.706 -0.281 25753 966 1 4 . 1 1 47 47 CYS N N 47 122.193 122.193 121.086 1.107 25753 967 1 4 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.904 -0.101 25753 968 1 4 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.652 -3.952 25753 969 1 4 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.874 10.126 25753 970 1 4 . 1 1 47 47 CYS H H 47 9.198 9.198 8.963 0.235 25753 971 1 4 . 1 1 48 48 ILE N N 48 129.093 129.093 125.743 3.350 25753 972 1 4 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.707 -0.407 25753 973 1 4 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.806 0.394 25753 974 1 4 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.702 -2.602 25753 975 1 4 . 1 1 48 48 ILE H H 48 8.696 8.696 8.950 -0.254 25753 976 1 4 . 1 1 49 49 CYS N N 49 126.279 126.279 124.326 1.953 25753 977 1 4 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.471 0.796 25753 978 1 4 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.890 -7.503 25753 979 1 4 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.338 6.209 25753 980 1 4 . 1 1 49 49 CYS H H 49 8.555 8.555 8.930 -0.375 25753 981 1 4 . 1 1 50 50 ASP N N 50 122.491 122.491 119.606 2.885 25753 982 1 4 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.844 0.619 25753 983 1 4 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.695 -1.595 25753 984 1 4 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.643 -1.597 25753 985 1 4 . 1 1 50 50 ASP H H 50 8.813 8.813 8.377 0.436 25753 986 1 4 . 1 1 51 51 TYR N N 51 124.921 124.921 121.240 3.681 25753 987 1 4 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.663 -0.463 25753 988 1 4 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.984 1.116 25753 989 1 4 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.864 -0.364 25753 990 1 4 . 1 1 51 51 TYR H H 51 9.633 9.633 8.563 1.070 25753 991 1 4 . 1 1 52 52 CYS N N 52 120.435 120.435 117.378 3.057 25753 992 1 4 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.725 -0.311 25753 993 1 4 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.217 -3.417 25753 994 1 4 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.543 12.457 25753 995 1 4 . 1 1 52 52 CYS H H 52 9.550 9.550 9.109 0.441 25753 996 1 4 . 1 1 53 53 GLU N N 53 120.972 120.972 119.451 1.521 25753 997 1 4 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.443 -0.196 25753 998 1 4 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.165 -0.865 25753 999 1 4 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.742 0.331 25753 1000 1 4 . 1 1 53 53 GLU H H 53 8.335 8.335 8.298 0.037 25753 1001 1 5 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.268 0.002 25753 1002 1 5 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.797 0.414 25753 1003 1 5 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.188 0.134 25753 1004 1 5 . 1 1 3 3 LYS H H 3 8.214 8.214 7.802 0.412 25753 1005 1 5 . 1 1 4 4 CYS N N 4 116.570 116.570 118.903 -2.333 25753 1006 1 5 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.374 0.320 25753 1007 1 5 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.804 -3.033 25753 1008 1 5 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.560 15.040 25753 1009 1 5 . 1 1 4 4 CYS H H 4 8.430 8.430 8.305 0.125 25753 1010 1 5 . 1 1 5 5 LYS N N 5 118.500 118.500 118.539 -0.039 25753 1011 1 5 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.481 1.021 25753 1012 1 5 . 1 1 5 5 LYS CA C 5 54.566 54.566 55.982 -1.416 25753 1013 1 5 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.524 0.776 25753 1014 1 5 . 1 1 5 5 LYS H H 5 7.965 7.965 7.718 0.247 25753 1015 1 5 . 1 1 6 6 LYS N N 6 121.002 121.002 121.733 -0.731 25753 1016 1 5 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.524 0.189 25753 1017 1 5 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.151 -0.151 25753 1018 1 5 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.547 1.026 25753 1019 1 5 . 1 1 6 6 LYS H H 6 8.980 8.980 8.002 0.978 25753 1020 1 5 . 1 1 7 7 VAL N N 7 127.157 127.157 124.129 3.028 25753 1021 1 5 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.905 0.008 25753 1022 1 5 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.372 1.028 25753 1023 1 5 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.791 -0.127 25753 1024 1 5 . 1 1 7 7 VAL H H 7 8.756 8.756 8.564 0.192 25753 1025 1 5 . 1 1 8 8 TYR N N 8 129.707 129.707 129.804 -0.097 25753 1026 1 5 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.307 0.076 25753 1027 1 5 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.736 -3.586 25753 1028 1 5 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.559 -3.938 25753 1029 1 5 . 1 1 8 8 TYR H H 8 9.160 9.160 8.256 0.904 25753 1030 1 5 . 1 1 9 9 GLU N N 9 130.601 130.601 123.012 7.589 25753 1031 1 5 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.099 0.021 25753 1032 1 5 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.697 -0.799 25753 1033 1 5 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.955 -0.942 25753 1034 1 5 . 1 1 9 9 GLU H H 9 8.964 8.964 8.839 0.125 25753 1035 1 5 . 1 1 10 10 ASN N N 10 115.766 115.766 114.640 1.126 25753 1036 1 5 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.828 -0.463 25753 1037 1 5 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.174 1.026 25753 1038 1 5 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.789 -1.829 25753 1039 1 5 . 1 1 10 10 ASN H H 10 9.232 9.232 8.341 0.891 25753 1040 1 5 . 1 1 11 11 TYR N N 11 122.267 122.267 122.774 -0.507 25753 1041 1 5 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.772 -0.637 25753 1042 1 5 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.968 1.980 25753 1043 1 5 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.601 -0.496 25753 1044 1 5 . 1 1 11 11 TYR H H 11 7.473 7.473 8.330 -0.857 25753 1045 1 5 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.591 -0.159 25753 1046 1 5 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.824 -0.977 25753 1047 1 5 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.714 -2.464 25753 1048 1 5 . 1 1 13 13 VAL N N 13 123.595 123.595 125.997 -2.402 25753 1049 1 5 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.646 0.108 25753 1050 1 5 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.164 0.336 25753 1051 1 5 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.872 -0.761 25753 1052 1 5 . 1 1 13 13 VAL H H 13 8.102 8.102 8.532 -0.430 25753 1053 1 5 . 1 1 14 14 SER N N 14 116.945 116.945 115.084 1.861 25753 1054 1 5 . 1 1 14 14 SER HA H 14 4.119 4.119 4.254 -0.135 25753 1055 1 5 . 1 1 14 14 SER CA C 14 61.050 61.050 61.152 -0.102 25753 1056 1 5 . 1 1 14 14 SER CB C 14 61.239 61.239 62.816 -1.577 25753 1057 1 5 . 1 1 14 14 SER H H 14 8.387 8.387 8.291 0.096 25753 1058 1 5 . 1 1 15 15 LYS N N 15 121.073 121.073 122.017 -0.944 25753 1059 1 5 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.186 -0.117 25753 1060 1 5 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.780 0.520 25753 1061 1 5 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.240 -1.005 25753 1062 1 5 . 1 1 15 15 LYS H H 15 7.821 7.821 7.711 0.110 25753 1063 1 5 . 1 1 16 16 CYS N N 16 115.469 115.469 118.776 -3.307 25753 1064 1 5 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.273 0.463 25753 1065 1 5 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.167 -3.367 25753 1066 1 5 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.983 14.271 25753 1067 1 5 . 1 1 16 16 CYS H H 16 7.844 7.844 7.662 0.182 25753 1068 1 5 . 1 1 17 17 GLN N N 17 115.128 115.128 117.260 -2.132 25753 1069 1 5 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.045 0.168 25753 1070 1 5 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.623 -1.523 25753 1071 1 5 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.945 -0.345 25753 1072 1 5 . 1 1 17 17 GLN H H 17 7.381 7.381 7.723 -0.342 25753 1073 1 5 . 1 1 18 18 LEU N N 18 120.972 120.972 119.996 0.976 25753 1074 1 5 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.628 -0.122 25753 1075 1 5 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.179 0.121 25753 1076 1 5 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.160 -0.066 25753 1077 1 5 . 1 1 18 18 LEU H H 18 7.286 7.286 7.933 -0.647 25753 1078 1 5 . 1 1 19 19 ALA N N 19 127.694 127.694 128.905 -1.211 25753 1079 1 5 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.982 0.133 25753 1080 1 5 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.438 -1.839 25753 1081 1 5 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.518 -0.618 25753 1082 1 5 . 1 1 19 19 ALA H H 19 8.556 8.556 8.980 -0.424 25753 1083 1 5 . 1 1 20 20 ASN N N 20 116.006 116.006 114.911 1.095 25753 1084 1 5 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.489 0.139 25753 1085 1 5 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.931 -1.231 25753 1086 1 5 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.983 1.010 25753 1087 1 5 . 1 1 20 20 ASN H H 20 9.044 9.044 8.748 0.296 25753 1088 1 5 . 1 1 21 21 GLN N N 21 122.731 122.731 120.876 1.855 25753 1089 1 5 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.321 -0.490 25753 1090 1 5 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.148 0.052 25753 1091 1 5 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.002 0.088 25753 1092 1 5 . 1 1 21 21 GLN H H 21 7.662 7.662 7.844 -0.182 25753 1093 1 5 . 1 1 22 22 CYS N N 22 118.925 118.925 120.026 -1.101 25753 1094 1 5 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.139 0.124 25753 1095 1 5 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.830 -5.730 25753 1096 1 5 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.459 12.041 25753 1097 1 5 . 1 1 22 22 CYS H H 22 8.475 8.475 7.961 0.514 25753 1098 1 5 . 1 1 23 23 ASN N N 23 118.714 118.714 117.953 0.761 25753 1099 1 5 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.422 -0.616 25753 1100 1 5 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.184 0.216 25753 1101 1 5 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.486 0.545 25753 1102 1 5 . 1 1 23 23 ASN H H 23 7.972 7.972 8.150 -0.178 25753 1103 1 5 . 1 1 24 24 TYR N N 24 117.828 117.828 120.034 -2.206 25753 1104 1 5 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.107 -0.193 25753 1105 1 5 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.437 -0.237 25753 1106 1 5 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.387 -0.304 25753 1107 1 5 . 1 1 24 24 TYR H H 24 8.107 8.107 7.766 0.341 25753 1108 1 5 . 1 1 25 25 ASP N N 25 119.620 119.620 117.141 2.479 25753 1109 1 5 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.390 0.239 25753 1110 1 5 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.708 0.692 25753 1111 1 5 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.946 -1.645 25753 1112 1 5 . 1 1 25 25 ASP H H 25 9.064 9.064 8.402 0.662 25753 1113 1 5 . 1 1 26 26 CYS N N 26 120.031 120.031 120.498 -0.467 25753 1114 1 5 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753 1115 1 5 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.633 -1.433 25753 1116 1 5 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.524 10.076 25753 1117 1 5 . 1 1 26 26 CYS H H 26 9.280 9.280 8.371 0.909 25753 1118 1 5 . 1 1 27 27 LYS N N 27 119.838 119.838 119.009 0.829 25753 1119 1 5 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.202 -0.098 25753 1120 1 5 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.987 1.313 25753 1121 1 5 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.998 0.202 25753 1122 1 5 . 1 1 27 27 LYS H H 27 7.646 7.646 8.458 -0.812 25753 1123 1 5 . 1 1 28 28 LEU N N 28 119.791 119.791 121.155 -1.364 25753 1124 1 5 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.187 -0.152 25753 1125 1 5 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.658 -0.458 25753 1126 1 5 . 1 1 28 28 LEU CB C 28 41.992 41.992 43.003 -1.011 25753 1127 1 5 . 1 1 28 28 LEU H H 28 8.257 8.257 7.834 0.423 25753 1128 1 5 . 1 1 29 29 ASP N N 29 116.737 116.737 119.475 -2.738 25753 1129 1 5 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.645 -0.169 25753 1130 1 5 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.384 -0.787 25753 1131 1 5 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.584 -1.284 25753 1132 1 5 . 1 1 29 29 ASP H H 29 8.977 8.977 8.562 0.415 25753 1133 1 5 . 1 1 30 30 LYS N N 30 111.907 111.907 116.477 -4.570 25753 1134 1 5 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.317 0.164 25753 1135 1 5 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.323 -3.344 25753 1136 1 5 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.129 -1.645 25753 1137 1 5 . 1 1 30 30 LYS H H 30 6.618 6.618 7.792 -1.174 25753 1138 1 5 . 1 1 31 31 HIS N N 31 112.966 112.966 115.955 -2.989 25753 1139 1 5 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.292 0.250 25753 1140 1 5 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.923 -1.023 25753 1141 1 5 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.296 -2.829 25753 1142 1 5 . 1 1 31 31 HIS H H 31 7.013 7.013 7.855 -0.842 25753 1143 1 5 . 1 1 32 32 ALA N N 32 120.001 120.001 119.886 0.115 25753 1144 1 5 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.999 0.056 25753 1145 1 5 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.731 -1.331 25753 1146 1 5 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.648 -0.748 25753 1147 1 5 . 1 1 32 32 ALA H H 32 7.644 7.644 7.289 0.355 25753 1148 1 5 . 1 1 33 33 ARG N N 33 116.588 116.588 121.130 -4.542 25753 1149 1 5 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.997 0.140 25753 1150 1 5 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.896 -0.998 25753 1151 1 5 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.663 -0.276 25753 1152 1 5 . 1 1 33 33 ARG H H 33 8.254 8.254 8.283 -0.029 25753 1153 1 5 . 1 1 34 34 SER N N 34 109.178 109.178 108.816 0.362 25753 1154 1 5 . 1 1 34 34 SER HA H 34 4.593 4.593 4.630 -0.037 25753 1155 1 5 . 1 1 34 34 SER CA C 34 57.500 57.500 57.429 0.071 25753 1156 1 5 . 1 1 34 34 SER CB C 34 64.825 64.825 66.493 -1.668 25753 1157 1 5 . 1 1 34 34 SER H H 34 7.989 7.989 7.623 0.366 25753 1158 1 5 . 1 1 35 35 GLY N N 35 107.345 107.345 106.758 0.587 25753 1159 1 5 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.800 0.900 25753 1160 1 5 . 1 1 35 35 GLY H H 35 8.633 8.633 8.722 -0.089 25753 1161 1 5 . 1 1 36 36 GLU N N 36 118.288 118.288 121.926 -3.638 25753 1162 1 5 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.834 -0.542 25753 1163 1 5 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.644 0.556 25753 1164 1 5 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.788 -2.124 25753 1165 1 5 . 1 1 36 36 GLU H H 36 8.236 8.236 9.143 -0.907 25753 1166 1 5 . 1 1 37 37 CYS N N 37 120.776 120.776 118.957 1.819 25753 1167 1 5 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.160 0.843 25753 1168 1 5 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.484 -2.284 25753 1169 1 5 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.557 17.143 25753 1170 1 5 . 1 1 37 37 CYS H H 37 8.856 8.856 8.655 0.201 25753 1171 1 5 . 1 1 38 38 PHE N N 38 121.520 121.520 121.779 -0.259 25753 1172 1 5 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.853 -0.166 25753 1173 1 5 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.743 0.757 25753 1174 1 5 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.538 0.475 25753 1175 1 5 . 1 1 38 38 PHE H H 38 9.082 9.082 9.218 -0.136 25753 1176 1 5 . 1 1 39 39 TYR N N 39 122.581 122.581 122.179 0.402 25753 1177 1 5 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.710 -0.098 25753 1178 1 5 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.258 0.542 25753 1179 1 5 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.939 0.161 25753 1180 1 5 . 1 1 39 39 TYR H H 39 8.683 8.683 8.622 0.061 25753 1181 1 5 . 1 1 40 40 LYS N N 40 126.022 126.022 125.351 0.671 25753 1182 1 5 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.573 -0.254 25753 1183 1 5 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.118 0.582 25753 1184 1 5 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.145 -1.345 25753 1185 1 5 . 1 1 40 40 LYS H H 40 8.319 8.319 8.452 -0.133 25753 1186 1 5 . 1 1 41 41 GLU N N 41 120.017 120.017 117.721 2.296 25753 1187 1 5 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.099 0.028 25753 1188 1 5 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.025 -1.225 25753 1189 1 5 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.962 0.101 25753 1190 1 5 . 1 1 41 41 GLU H H 41 8.657 8.657 8.519 0.138 25753 1191 1 5 . 1 1 42 42 LYS N N 42 116.887 116.887 121.228 -4.341 25753 1192 1 5 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.186 -0.394 25753 1193 1 5 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.182 -0.482 25753 1194 1 5 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.579 -1.779 25753 1195 1 5 . 1 1 42 42 LYS H H 42 8.468 8.468 8.294 0.174 25753 1196 1 5 . 1 1 43 43 ARG N N 43 115.559 115.559 116.516 -0.957 25753 1197 1 5 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.409 -0.183 25753 1198 1 5 . 1 1 43 43 ARG CA C 43 56.000 56.000 56.008 -0.008 25753 1199 1 5 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.014 -1.214 25753 1200 1 5 . 1 1 43 43 ARG H H 43 8.165 8.165 8.125 0.040 25753 1201 1 5 . 1 1 44 44 ASN N N 44 117.868 117.868 119.544 -1.676 25753 1202 1 5 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.649 0.232 25753 1203 1 5 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.790 -1.390 25753 1204 1 5 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.188 0.012 25753 1205 1 5 . 1 1 44 44 ASN H H 44 7.983 7.983 7.853 0.130 25753 1206 1 5 . 1 1 45 45 LEU N N 45 125.712 125.712 121.113 4.599 25753 1207 1 5 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.642 -0.336 25753 1208 1 5 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.724 1.376 25753 1209 1 5 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.836 -2.769 25753 1210 1 5 . 1 1 45 45 LEU H H 45 8.193 8.193 8.394 -0.201 25753 1211 1 5 . 1 1 46 46 GLN N N 46 120.613 120.613 119.458 1.155 25753 1212 1 5 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753 1213 1 5 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.160 -0.160 25753 1214 1 5 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.060 -1.099 25753 1215 1 5 . 1 1 46 46 GLN H H 46 8.425 8.425 8.720 -0.295 25753 1216 1 5 . 1 1 47 47 CYS N N 47 122.193 122.193 121.006 1.187 25753 1217 1 5 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.006 -0.203 25753 1218 1 5 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.627 -3.927 25753 1219 1 5 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.927 10.073 25753 1220 1 5 . 1 1 47 47 CYS H H 47 9.198 9.198 8.949 0.249 25753 1221 1 5 . 1 1 48 48 ILE N N 48 129.093 129.093 125.476 3.617 25753 1222 1 5 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.685 -0.385 25753 1223 1 5 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.694 0.506 25753 1224 1 5 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.684 -2.584 25753 1225 1 5 . 1 1 48 48 ILE H H 48 8.696 8.696 9.039 -0.343 25753 1226 1 5 . 1 1 49 49 CYS N N 49 126.279 126.279 124.728 1.551 25753 1227 1 5 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.442 0.825 25753 1228 1 5 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.996 -7.609 25753 1229 1 5 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.288 6.259 25753 1230 1 5 . 1 1 49 49 CYS H H 49 8.555 8.555 8.950 -0.395 25753 1231 1 5 . 1 1 50 50 ASP N N 50 122.491 122.491 119.511 2.980 25753 1232 1 5 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.907 0.556 25753 1233 1 5 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.888 -1.788 25753 1234 1 5 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.441 -1.395 25753 1235 1 5 . 1 1 50 50 ASP H H 50 8.813 8.813 8.500 0.313 25753 1236 1 5 . 1 1 51 51 TYR N N 51 124.921 124.921 119.946 4.975 25753 1237 1 5 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.794 -0.594 25753 1238 1 5 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.572 1.528 25753 1239 1 5 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.189 -0.689 25753 1240 1 5 . 1 1 51 51 TYR H H 51 9.633 9.633 8.585 1.048 25753 1241 1 5 . 1 1 52 52 CYS N N 52 120.435 120.435 115.687 4.748 25753 1242 1 5 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.739 -0.325 25753 1243 1 5 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.457 -3.657 25753 1244 1 5 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.113 12.887 25753 1245 1 5 . 1 1 52 52 CYS H H 52 9.550 9.550 8.297 1.253 25753 1246 1 5 . 1 1 53 53 GLU N N 53 120.972 120.972 119.980 0.992 25753 1247 1 5 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.516 -0.269 25753 1248 1 5 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.991 -0.691 25753 1249 1 5 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.723 0.350 25753 1250 1 5 . 1 1 53 53 GLU H H 53 8.335 8.335 8.500 -0.165 25753 1251 1 6 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.252 0.018 25753 1252 1 6 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.515 -0.304 25753 1253 1 6 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.393 -1.071 25753 1254 1 6 . 1 1 3 3 LYS H H 3 8.214 8.214 8.380 -0.166 25753 1255 1 6 . 1 1 4 4 CYS N N 4 116.570 116.570 117.215 -0.645 25753 1256 1 6 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.314 0.380 25753 1257 1 6 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.348 -3.576 25753 1258 1 6 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.511 15.089 25753 1259 1 6 . 1 1 4 4 CYS H H 4 8.430 8.430 8.525 -0.095 25753 1260 1 6 . 1 1 5 5 LYS N N 5 118.500 118.500 117.918 0.582 25753 1261 1 6 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.525 0.977 25753 1262 1 6 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.135 -1.569 25753 1263 1 6 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.723 0.577 25753 1264 1 6 . 1 1 5 5 LYS H H 5 7.965 7.965 7.834 0.131 25753 1265 1 6 . 1 1 6 6 LYS N N 6 121.002 121.002 122.958 -1.956 25753 1266 1 6 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.500 0.213 25753 1267 1 6 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.147 -0.146 25753 1268 1 6 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.553 1.020 25753 1269 1 6 . 1 1 6 6 LYS H H 6 8.980 8.980 7.983 0.997 25753 1270 1 6 . 1 1 7 7 VAL N N 7 127.157 127.157 124.037 3.120 25753 1271 1 6 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.940 -0.027 25753 1272 1 6 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.543 1.857 25753 1273 1 6 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.716 -0.052 25753 1274 1 6 . 1 1 7 7 VAL H H 7 8.756 8.756 8.454 0.302 25753 1275 1 6 . 1 1 8 8 TYR N N 8 129.707 129.707 129.966 -0.259 25753 1276 1 6 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.354 0.029 25753 1277 1 6 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.843 -3.693 25753 1278 1 6 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.877 -4.256 25753 1279 1 6 . 1 1 8 8 TYR H H 8 9.160 9.160 8.264 0.896 25753 1280 1 6 . 1 1 9 9 GLU N N 9 130.601 130.601 123.066 7.535 25753 1281 1 6 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.077 0.043 25753 1282 1 6 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.999 -1.101 25753 1283 1 6 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.096 -1.083 25753 1284 1 6 . 1 1 9 9 GLU H H 9 8.964 8.964 8.915 0.049 25753 1285 1 6 . 1 1 10 10 ASN N N 10 115.766 115.766 113.333 2.433 25753 1286 1 6 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.806 -0.441 25753 1287 1 6 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.405 0.795 25753 1288 1 6 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.715 -1.755 25753 1289 1 6 . 1 1 10 10 ASN H H 10 9.232 9.232 8.263 0.969 25753 1290 1 6 . 1 1 11 11 TYR N N 11 122.267 122.267 121.958 0.309 25753 1291 1 6 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.769 -0.634 25753 1292 1 6 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.809 2.138 25753 1293 1 6 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.723 -0.618 25753 1294 1 6 . 1 1 11 11 TYR H H 11 7.473 7.473 8.288 -0.815 25753 1295 1 6 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.578 -0.146 25753 1296 1 6 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.781 -0.934 25753 1297 1 6 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.680 -2.430 25753 1298 1 6 . 1 1 13 13 VAL N N 13 123.595 123.595 125.468 -1.873 25753 1299 1 6 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.695 0.059 25753 1300 1 6 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.251 0.249 25753 1301 1 6 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.810 -0.699 25753 1302 1 6 . 1 1 13 13 VAL H H 13 8.102 8.102 8.592 -0.490 25753 1303 1 6 . 1 1 14 14 SER N N 14 116.945 116.945 115.501 1.444 25753 1304 1 6 . 1 1 14 14 SER HA H 14 4.119 4.119 4.284 -0.165 25753 1305 1 6 . 1 1 14 14 SER CA C 14 61.050 61.050 61.297 -0.247 25753 1306 1 6 . 1 1 14 14 SER CB C 14 61.239 61.239 63.014 -1.775 25753 1307 1 6 . 1 1 14 14 SER H H 14 8.387 8.387 8.194 0.193 25753 1308 1 6 . 1 1 15 15 LYS N N 15 121.073 121.073 121.965 -0.892 25753 1309 1 6 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.133 -0.064 25753 1310 1 6 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.757 0.543 25753 1311 1 6 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.139 -0.904 25753 1312 1 6 . 1 1 15 15 LYS H H 15 7.821 7.821 8.338 -0.517 25753 1313 1 6 . 1 1 16 16 CYS N N 16 115.469 115.469 118.756 -3.287 25753 1314 1 6 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.310 0.426 25753 1315 1 6 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.898 -3.098 25753 1316 1 6 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.948 14.306 25753 1317 1 6 . 1 1 16 16 CYS H H 16 7.844 7.844 7.642 0.202 25753 1318 1 6 . 1 1 17 17 GLN N N 17 115.128 115.128 117.184 -2.056 25753 1319 1 6 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.028 0.185 25753 1320 1 6 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.501 -1.401 25753 1321 1 6 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.949 -0.349 25753 1322 1 6 . 1 1 17 17 GLN H H 17 7.381 7.381 7.500 -0.119 25753 1323 1 6 . 1 1 18 18 LEU N N 18 120.972 120.972 119.409 1.563 25753 1324 1 6 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.544 -0.038 25753 1325 1 6 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.394 -0.094 25753 1326 1 6 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.587 -0.492 25753 1327 1 6 . 1 1 18 18 LEU H H 18 7.286 7.286 7.610 -0.324 25753 1328 1 6 . 1 1 19 19 ALA N N 19 127.694 127.694 128.428 -0.734 25753 1329 1 6 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.055 0.060 25753 1330 1 6 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.691 -2.091 25753 1331 1 6 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.542 -0.642 25753 1332 1 6 . 1 1 19 19 ALA H H 19 8.556 8.556 8.958 -0.402 25753 1333 1 6 . 1 1 20 20 ASN N N 20 116.006 116.006 116.266 -0.260 25753 1334 1 6 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.366 0.262 25753 1335 1 6 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.755 -1.055 25753 1336 1 6 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.528 1.465 25753 1337 1 6 . 1 1 20 20 ASN H H 20 9.044 9.044 8.655 0.389 25753 1338 1 6 . 1 1 21 21 GLN N N 21 122.731 122.731 120.793 1.938 25753 1339 1 6 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.261 -0.430 25753 1340 1 6 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.284 -0.084 25753 1341 1 6 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.512 0.578 25753 1342 1 6 . 1 1 21 21 GLN H H 21 7.662 7.662 7.571 0.091 25753 1343 1 6 . 1 1 22 22 CYS N N 22 118.925 118.925 119.813 -0.888 25753 1344 1 6 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.158 0.105 25753 1345 1 6 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.671 -5.571 25753 1346 1 6 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.381 12.119 25753 1347 1 6 . 1 1 22 22 CYS H H 22 8.475 8.475 7.854 0.621 25753 1348 1 6 . 1 1 23 23 ASN N N 23 118.714 118.714 118.181 0.533 25753 1349 1 6 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.441 -0.635 25753 1350 1 6 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.086 0.314 25753 1351 1 6 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.559 0.472 25753 1352 1 6 . 1 1 23 23 ASN H H 23 7.972 7.972 8.288 -0.316 25753 1353 1 6 . 1 1 24 24 TYR N N 24 117.828 117.828 120.238 -2.410 25753 1354 1 6 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.156 -0.242 25753 1355 1 6 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.398 -0.198 25753 1356 1 6 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.453 -0.370 25753 1357 1 6 . 1 1 24 24 TYR H H 24 8.107 8.107 7.945 0.162 25753 1358 1 6 . 1 1 25 25 ASP N N 25 119.620 119.620 117.448 2.172 25753 1359 1 6 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.306 0.323 25753 1360 1 6 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.953 0.447 25753 1361 1 6 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.810 -1.510 25753 1362 1 6 . 1 1 25 25 ASP H H 25 9.064 9.064 8.451 0.613 25753 1363 1 6 . 1 1 26 26 CYS N N 26 120.031 120.031 120.378 -0.347 25753 1364 1 6 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.247 -0.142 25753 1365 1 6 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.667 -1.467 25753 1366 1 6 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.542 10.058 25753 1367 1 6 . 1 1 26 26 CYS H H 26 9.280 9.280 8.377 0.903 25753 1368 1 6 . 1 1 27 27 LYS N N 27 119.838 119.838 119.070 0.768 25753 1369 1 6 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.240 -0.136 25753 1370 1 6 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.038 1.262 25753 1371 1 6 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.040 0.160 25753 1372 1 6 . 1 1 27 27 LYS H H 27 7.646 7.646 8.409 -0.763 25753 1373 1 6 . 1 1 28 28 LEU N N 28 119.791 119.791 120.094 -0.303 25753 1374 1 6 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.373 -0.338 25753 1375 1 6 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.851 -0.651 25753 1376 1 6 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.596 -0.604 25753 1377 1 6 . 1 1 28 28 LEU H H 28 8.257 8.257 7.822 0.435 25753 1378 1 6 . 1 1 29 29 ASP N N 29 116.737 116.737 118.135 -1.398 25753 1379 1 6 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.700 -0.224 25753 1380 1 6 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.378 -0.781 25753 1381 1 6 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.664 -1.364 25753 1382 1 6 . 1 1 29 29 ASP H H 29 8.977 8.977 8.560 0.417 25753 1383 1 6 . 1 1 30 30 LYS N N 30 111.907 111.907 117.363 -5.456 25753 1384 1 6 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.304 0.177 25753 1385 1 6 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.022 -3.043 25753 1386 1 6 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.946 -1.462 25753 1387 1 6 . 1 1 30 30 LYS H H 30 6.618 6.618 7.959 -1.341 25753 1388 1 6 . 1 1 31 31 HIS N N 31 112.966 112.966 115.511 -2.545 25753 1389 1 6 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.281 0.261 25753 1390 1 6 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.784 -0.884 25753 1391 1 6 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.925 -2.458 25753 1392 1 6 . 1 1 31 31 HIS H H 31 7.013 7.013 7.902 -0.889 25753 1393 1 6 . 1 1 32 32 ALA N N 32 120.001 120.001 118.920 1.081 25753 1394 1 6 . 1 1 32 32 ALA HA H 32 4.055 4.055 4.009 0.046 25753 1395 1 6 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.614 -1.214 25753 1396 1 6 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.590 -0.690 25753 1397 1 6 . 1 1 32 32 ALA H H 32 7.644 7.644 7.234 0.410 25753 1398 1 6 . 1 1 33 33 ARG N N 33 116.588 116.588 121.151 -4.563 25753 1399 1 6 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.952 0.185 25753 1400 1 6 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.858 -0.960 25753 1401 1 6 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.628 -0.241 25753 1402 1 6 . 1 1 33 33 ARG H H 33 8.254 8.254 8.222 0.032 25753 1403 1 6 . 1 1 34 34 SER N N 34 109.178 109.178 108.859 0.319 25753 1404 1 6 . 1 1 34 34 SER HA H 34 4.593 4.593 4.635 -0.042 25753 1405 1 6 . 1 1 34 34 SER CA C 34 57.500 57.500 57.424 0.076 25753 1406 1 6 . 1 1 34 34 SER CB C 34 64.825 64.825 66.466 -1.641 25753 1407 1 6 . 1 1 34 34 SER H H 34 7.989 7.989 7.602 0.387 25753 1408 1 6 . 1 1 35 35 GLY N N 35 107.345 107.345 106.663 0.682 25753 1409 1 6 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.847 0.853 25753 1410 1 6 . 1 1 35 35 GLY H H 35 8.633 8.633 8.697 -0.064 25753 1411 1 6 . 1 1 36 36 GLU N N 36 118.288 118.288 121.581 -3.293 25753 1412 1 6 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.908 -0.616 25753 1413 1 6 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.249 0.951 25753 1414 1 6 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.857 -2.193 25753 1415 1 6 . 1 1 36 36 GLU H H 36 8.236 8.236 9.047 -0.811 25753 1416 1 6 . 1 1 37 37 CYS N N 37 120.776 120.776 118.987 1.789 25753 1417 1 6 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.176 0.827 25753 1418 1 6 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.585 -2.385 25753 1419 1 6 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.516 17.184 25753 1420 1 6 . 1 1 37 37 CYS H H 37 8.856 8.856 8.682 0.174 25753 1421 1 6 . 1 1 38 38 PHE N N 38 121.520 121.520 121.942 -0.422 25753 1422 1 6 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753 1423 1 6 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.704 0.796 25753 1424 1 6 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.447 0.566 25753 1425 1 6 . 1 1 38 38 PHE H H 38 9.082 9.082 9.205 -0.123 25753 1426 1 6 . 1 1 39 39 TYR N N 39 122.581 122.581 122.185 0.396 25753 1427 1 6 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 1428 1 6 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.284 0.516 25753 1429 1 6 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.925 0.175 25753 1430 1 6 . 1 1 39 39 TYR H H 39 8.683 8.683 8.629 0.054 25753 1431 1 6 . 1 1 40 40 LYS N N 40 126.022 126.022 125.418 0.604 25753 1432 1 6 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.593 -0.274 25753 1433 1 6 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.229 0.471 25753 1434 1 6 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.113 -1.313 25753 1435 1 6 . 1 1 40 40 LYS H H 40 8.319 8.319 8.438 -0.119 25753 1436 1 6 . 1 1 41 41 GLU N N 41 120.017 120.017 117.731 2.286 25753 1437 1 6 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.100 0.027 25753 1438 1 6 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.965 -1.165 25753 1439 1 6 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.971 0.092 25753 1440 1 6 . 1 1 41 41 GLU H H 41 8.657 8.657 8.523 0.134 25753 1441 1 6 . 1 1 42 42 LYS N N 42 116.887 116.887 121.379 -4.492 25753 1442 1 6 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.228 -0.436 25753 1443 1 6 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.129 -0.429 25753 1444 1 6 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.580 -1.780 25753 1445 1 6 . 1 1 42 42 LYS H H 42 8.468 8.468 8.312 0.156 25753 1446 1 6 . 1 1 43 43 ARG N N 43 115.559 115.559 116.550 -0.991 25753 1447 1 6 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.437 -0.211 25753 1448 1 6 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.976 0.024 25753 1449 1 6 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.936 -1.136 25753 1450 1 6 . 1 1 43 43 ARG H H 43 8.165 8.165 7.997 0.168 25753 1451 1 6 . 1 1 44 44 ASN N N 44 117.868 117.868 118.919 -1.051 25753 1452 1 6 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.625 0.256 25753 1453 1 6 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.989 -1.589 25753 1454 1 6 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.056 0.144 25753 1455 1 6 . 1 1 44 44 ASN H H 44 7.983 7.983 7.816 0.167 25753 1456 1 6 . 1 1 45 45 LEU N N 45 125.712 125.712 121.351 4.361 25753 1457 1 6 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753 1458 1 6 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.746 1.354 25753 1459 1 6 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.748 -2.681 25753 1460 1 6 . 1 1 45 45 LEU H H 45 8.193 8.193 8.344 -0.151 25753 1461 1 6 . 1 1 46 46 GLN N N 46 120.613 120.613 119.450 1.163 25753 1462 1 6 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.684 -0.019 25753 1463 1 6 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.221 -0.221 25753 1464 1 6 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.105 -1.145 25753 1465 1 6 . 1 1 46 46 GLN H H 46 8.425 8.425 8.606 -0.181 25753 1466 1 6 . 1 1 47 47 CYS N N 47 122.193 122.193 120.990 1.203 25753 1467 1 6 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.007 -0.204 25753 1468 1 6 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.602 -3.902 25753 1469 1 6 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.954 10.046 25753 1470 1 6 . 1 1 47 47 CYS H H 47 9.198 9.198 8.955 0.243 25753 1471 1 6 . 1 1 48 48 ILE N N 48 129.093 129.093 125.563 3.530 25753 1472 1 6 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.709 -0.409 25753 1473 1 6 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.699 0.501 25753 1474 1 6 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.721 -2.620 25753 1475 1 6 . 1 1 48 48 ILE H H 48 8.696 8.696 9.061 -0.365 25753 1476 1 6 . 1 1 49 49 CYS N N 49 126.279 126.279 124.266 2.013 25753 1477 1 6 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.482 0.785 25753 1478 1 6 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.056 -7.669 25753 1479 1 6 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.374 6.173 25753 1480 1 6 . 1 1 49 49 CYS H H 49 8.555 8.555 8.926 -0.371 25753 1481 1 6 . 1 1 50 50 ASP N N 50 122.491 122.491 118.817 3.674 25753 1482 1 6 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.878 0.585 25753 1483 1 6 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.213 -1.113 25753 1484 1 6 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.574 -1.528 25753 1485 1 6 . 1 1 50 50 ASP H H 50 8.813 8.813 8.449 0.364 25753 1486 1 6 . 1 1 51 51 TYR N N 51 124.921 124.921 121.387 3.534 25753 1487 1 6 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.687 -0.487 25753 1488 1 6 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.840 1.260 25753 1489 1 6 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.780 -0.280 25753 1490 1 6 . 1 1 51 51 TYR H H 51 9.633 9.633 8.548 1.085 25753 1491 1 6 . 1 1 52 52 CYS N N 52 120.435 120.435 117.054 3.381 25753 1492 1 6 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.744 -0.330 25753 1493 1 6 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.153 -3.353 25753 1494 1 6 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.444 12.556 25753 1495 1 6 . 1 1 52 52 CYS H H 52 9.550 9.550 8.056 1.494 25753 1496 1 6 . 1 1 53 53 GLU N N 53 120.972 120.972 120.110 0.862 25753 1497 1 6 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.464 -0.217 25753 1498 1 6 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.489 -1.189 25753 1499 1 6 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.634 0.439 25753 1500 1 6 . 1 1 53 53 GLU H H 53 8.335 8.335 8.463 -0.128 25753 1501 1 7 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.391 -0.121 25753 1502 1 7 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.377 0.834 25753 1503 1 7 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.940 -0.618 25753 1504 1 7 . 1 1 3 3 LYS H H 3 8.214 8.214 8.350 -0.136 25753 1505 1 7 . 1 1 4 4 CYS N N 4 116.570 116.570 118.120 -1.550 25753 1506 1 7 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.263 0.431 25753 1507 1 7 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.106 -3.334 25753 1508 1 7 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.136 14.464 25753 1509 1 7 . 1 1 4 4 CYS H H 4 8.430 8.430 7.794 0.636 25753 1510 1 7 . 1 1 5 5 LYS N N 5 118.500 118.500 118.158 0.342 25753 1511 1 7 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.514 0.988 25753 1512 1 7 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.188 -1.622 25753 1513 1 7 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.615 0.685 25753 1514 1 7 . 1 1 5 5 LYS H H 5 7.965 7.965 7.733 0.232 25753 1515 1 7 . 1 1 6 6 LYS N N 6 121.002 121.002 121.962 -0.960 25753 1516 1 7 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.538 0.175 25753 1517 1 7 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.088 0.912 25753 1518 1 7 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.703 0.870 25753 1519 1 7 . 1 1 6 6 LYS H H 6 8.980 8.980 7.998 0.982 25753 1520 1 7 . 1 1 7 7 VAL N N 7 127.157 127.157 123.373 3.784 25753 1521 1 7 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.993 -0.080 25753 1522 1 7 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.731 1.669 25753 1523 1 7 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.908 -0.244 25753 1524 1 7 . 1 1 7 7 VAL H H 7 8.756 8.756 8.509 0.247 25753 1525 1 7 . 1 1 8 8 TYR N N 8 129.707 129.707 129.603 0.104 25753 1526 1 7 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.322 0.061 25753 1527 1 7 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.716 -3.566 25753 1528 1 7 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.607 -3.986 25753 1529 1 7 . 1 1 8 8 TYR H H 8 9.160 9.160 8.207 0.953 25753 1530 1 7 . 1 1 9 9 GLU N N 9 130.601 130.601 122.936 7.665 25753 1531 1 7 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.098 0.022 25753 1532 1 7 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.696 -0.798 25753 1533 1 7 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.950 -0.937 25753 1534 1 7 . 1 1 9 9 GLU H H 9 8.964 8.964 8.857 0.107 25753 1535 1 7 . 1 1 10 10 ASN N N 10 115.766 115.766 114.391 1.375 25753 1536 1 7 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.813 -0.448 25753 1537 1 7 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.178 1.022 25753 1538 1 7 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.714 -1.754 25753 1539 1 7 . 1 1 10 10 ASN H H 10 9.232 9.232 8.324 0.908 25753 1540 1 7 . 1 1 11 11 TYR N N 11 122.267 122.267 122.651 -0.384 25753 1541 1 7 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.774 -0.639 25753 1542 1 7 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.969 1.978 25753 1543 1 7 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.578 -0.473 25753 1544 1 7 . 1 1 11 11 TYR H H 11 7.473 7.473 8.331 -0.858 25753 1545 1 7 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.543 -0.111 25753 1546 1 7 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.828 -0.981 25753 1547 1 7 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.540 -2.290 25753 1548 1 7 . 1 1 13 13 VAL N N 13 123.595 123.595 125.107 -1.512 25753 1549 1 7 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753 1550 1 7 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.649 0.851 25753 1551 1 7 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.642 -0.531 25753 1552 1 7 . 1 1 13 13 VAL H H 13 8.102 8.102 8.550 -0.448 25753 1553 1 7 . 1 1 14 14 SER N N 14 116.945 116.945 116.121 0.824 25753 1554 1 7 . 1 1 14 14 SER HA H 14 4.119 4.119 4.231 -0.112 25753 1555 1 7 . 1 1 14 14 SER CA C 14 61.050 61.050 61.161 -0.111 25753 1556 1 7 . 1 1 14 14 SER CB C 14 61.239 61.239 62.711 -1.472 25753 1557 1 7 . 1 1 14 14 SER H H 14 8.387 8.387 8.075 0.312 25753 1558 1 7 . 1 1 15 15 LYS N N 15 121.073 121.073 122.131 -1.058 25753 1559 1 7 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.174 -0.105 25753 1560 1 7 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.638 0.662 25753 1561 1 7 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.072 -0.837 25753 1562 1 7 . 1 1 15 15 LYS H H 15 7.821 7.821 8.204 -0.383 25753 1563 1 7 . 1 1 16 16 CYS N N 16 115.469 115.469 118.763 -3.294 25753 1564 1 7 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.306 0.430 25753 1565 1 7 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.920 -3.120 25753 1566 1 7 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.950 14.305 25753 1567 1 7 . 1 1 16 16 CYS H H 16 7.844 7.844 7.647 0.197 25753 1568 1 7 . 1 1 17 17 GLN N N 17 115.128 115.128 117.188 -2.060 25753 1569 1 7 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.027 0.186 25753 1570 1 7 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.511 -1.411 25753 1571 1 7 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.946 -0.346 25753 1572 1 7 . 1 1 17 17 GLN H H 17 7.381 7.381 7.498 -0.117 25753 1573 1 7 . 1 1 18 18 LEU N N 18 120.972 120.972 119.405 1.567 25753 1574 1 7 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.545 -0.039 25753 1575 1 7 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.388 -0.088 25753 1576 1 7 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.581 -0.487 25753 1577 1 7 . 1 1 18 18 LEU H H 18 7.286 7.286 7.635 -0.349 25753 1578 1 7 . 1 1 19 19 ALA N N 19 127.694 127.694 128.450 -0.756 25753 1579 1 7 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.054 0.061 25753 1580 1 7 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.697 -2.097 25753 1581 1 7 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.543 -0.643 25753 1582 1 7 . 1 1 19 19 ALA H H 19 8.556 8.556 8.960 -0.404 25753 1583 1 7 . 1 1 20 20 ASN N N 20 116.006 116.006 116.243 -0.237 25753 1584 1 7 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.365 0.263 25753 1585 1 7 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.755 -1.055 25753 1586 1 7 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.528 1.465 25753 1587 1 7 . 1 1 20 20 ASN H H 20 9.044 9.044 8.654 0.390 25753 1588 1 7 . 1 1 21 21 GLN N N 21 122.731 122.731 120.781 1.950 25753 1589 1 7 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.255 -0.424 25753 1590 1 7 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.272 -0.072 25753 1591 1 7 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.510 0.580 25753 1592 1 7 . 1 1 21 21 GLN H H 21 7.662 7.662 7.567 0.095 25753 1593 1 7 . 1 1 22 22 CYS N N 22 118.925 118.925 119.828 -0.903 25753 1594 1 7 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.149 0.114 25753 1595 1 7 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.624 -5.524 25753 1596 1 7 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.362 12.138 25753 1597 1 7 . 1 1 22 22 CYS H H 22 8.475 8.475 7.849 0.626 25753 1598 1 7 . 1 1 23 23 ASN N N 23 118.714 118.714 118.179 0.535 25753 1599 1 7 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.437 -0.631 25753 1600 1 7 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.087 0.313 25753 1601 1 7 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.564 0.467 25753 1602 1 7 . 1 1 23 23 ASN H H 23 7.972 7.972 8.280 -0.308 25753 1603 1 7 . 1 1 24 24 TYR N N 24 117.828 117.828 120.215 -2.387 25753 1604 1 7 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.120 -0.206 25753 1605 1 7 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.425 -0.225 25753 1606 1 7 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.402 -0.319 25753 1607 1 7 . 1 1 24 24 TYR H H 24 8.107 8.107 7.912 0.195 25753 1608 1 7 . 1 1 25 25 ASP N N 25 119.620 119.620 117.198 2.422 25753 1609 1 7 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.335 0.294 25753 1610 1 7 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.769 0.631 25753 1611 1 7 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.914 -1.614 25753 1612 1 7 . 1 1 25 25 ASP H H 25 9.064 9.064 8.421 0.643 25753 1613 1 7 . 1 1 26 26 CYS N N 26 120.031 120.031 120.373 -0.342 25753 1614 1 7 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.223 -0.118 25753 1615 1 7 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.648 -1.448 25753 1616 1 7 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.532 10.068 25753 1617 1 7 . 1 1 26 26 CYS H H 26 9.280 9.280 8.360 0.920 25753 1618 1 7 . 1 1 27 27 LYS N N 27 119.838 119.838 119.023 0.815 25753 1619 1 7 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.260 -0.156 25753 1620 1 7 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.041 1.259 25753 1621 1 7 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.068 0.132 25753 1622 1 7 . 1 1 27 27 LYS H H 27 7.646 7.646 8.442 -0.796 25753 1623 1 7 . 1 1 28 28 LEU N N 28 119.791 119.791 120.803 -1.012 25753 1624 1 7 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.080 -0.045 25753 1625 1 7 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.373 -0.173 25753 1626 1 7 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.754 -0.762 25753 1627 1 7 . 1 1 28 28 LEU H H 28 8.257 8.257 7.805 0.452 25753 1628 1 7 . 1 1 29 29 ASP N N 29 116.737 116.737 118.258 -1.521 25753 1629 1 7 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.683 -0.207 25753 1630 1 7 . 1 1 29 29 ASP CA C 29 55.597 55.597 55.990 -0.393 25753 1631 1 7 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.795 -1.495 25753 1632 1 7 . 1 1 29 29 ASP H H 29 8.977 8.977 8.563 0.414 25753 1633 1 7 . 1 1 30 30 LYS N N 30 111.907 111.907 117.414 -5.507 25753 1634 1 7 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.277 0.204 25753 1635 1 7 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.867 -2.888 25753 1636 1 7 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.026 -1.542 25753 1637 1 7 . 1 1 30 30 LYS H H 30 6.618 6.618 7.928 -1.310 25753 1638 1 7 . 1 1 31 31 HIS N N 31 112.966 112.966 115.364 -2.398 25753 1639 1 7 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.316 0.226 25753 1640 1 7 . 1 1 31 31 HIS CA C 31 55.900 55.900 57.016 -1.116 25753 1641 1 7 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.782 -2.315 25753 1642 1 7 . 1 1 31 31 HIS H H 31 7.013 7.013 7.834 -0.821 25753 1643 1 7 . 1 1 32 32 ALA N N 32 120.001 120.001 119.945 0.056 25753 1644 1 7 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.991 0.064 25753 1645 1 7 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.826 -1.426 25753 1646 1 7 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.610 -0.710 25753 1647 1 7 . 1 1 32 32 ALA H H 32 7.644 7.644 7.333 0.311 25753 1648 1 7 . 1 1 33 33 ARG N N 33 116.588 116.588 120.506 -3.918 25753 1649 1 7 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.038 0.099 25753 1650 1 7 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.123 -1.226 25753 1651 1 7 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.722 -0.335 25753 1652 1 7 . 1 1 33 33 ARG H H 33 8.254 8.254 8.491 -0.237 25753 1653 1 7 . 1 1 34 34 SER N N 34 109.178 109.178 108.550 0.628 25753 1654 1 7 . 1 1 34 34 SER HA H 34 4.593 4.593 4.730 -0.137 25753 1655 1 7 . 1 1 34 34 SER CA C 34 57.500 57.500 57.591 -0.091 25753 1656 1 7 . 1 1 34 34 SER CB C 34 64.825 64.825 66.565 -1.740 25753 1657 1 7 . 1 1 34 34 SER H H 34 7.989 7.989 7.563 0.426 25753 1658 1 7 . 1 1 35 35 GLY N N 35 107.345 107.345 106.662 0.683 25753 1659 1 7 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.782 0.918 25753 1660 1 7 . 1 1 35 35 GLY H H 35 8.633 8.633 8.634 -0.001 25753 1661 1 7 . 1 1 36 36 GLU N N 36 118.288 118.288 121.451 -3.163 25753 1662 1 7 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.908 -0.616 25753 1663 1 7 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.329 0.871 25753 1664 1 7 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.896 -2.232 25753 1665 1 7 . 1 1 36 36 GLU H H 36 8.236 8.236 9.133 -0.897 25753 1666 1 7 . 1 1 37 37 CYS N N 37 120.776 120.776 119.002 1.774 25753 1667 1 7 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.168 0.835 25753 1668 1 7 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.560 -2.360 25753 1669 1 7 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.465 17.235 25753 1670 1 7 . 1 1 37 37 CYS H H 37 8.856 8.856 8.685 0.171 25753 1671 1 7 . 1 1 38 38 PHE N N 38 121.520 121.520 122.010 -0.490 25753 1672 1 7 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753 1673 1 7 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.687 0.813 25753 1674 1 7 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.409 0.604 25753 1675 1 7 . 1 1 38 38 PHE H H 38 9.082 9.082 9.195 -0.113 25753 1676 1 7 . 1 1 39 39 TYR N N 39 122.581 122.581 122.243 0.338 25753 1677 1 7 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 1678 1 7 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.288 0.511 25753 1679 1 7 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.924 0.176 25753 1680 1 7 . 1 1 39 39 TYR H H 39 8.683 8.683 8.628 0.055 25753 1681 1 7 . 1 1 40 40 LYS N N 40 126.022 126.022 124.996 1.026 25753 1682 1 7 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.637 -0.318 25753 1683 1 7 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.886 0.814 25753 1684 1 7 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.298 -1.498 25753 1685 1 7 . 1 1 40 40 LYS H H 40 8.319 8.319 8.438 -0.119 25753 1686 1 7 . 1 1 41 41 GLU N N 41 120.017 120.017 118.957 1.060 25753 1687 1 7 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.096 0.031 25753 1688 1 7 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.235 -1.435 25753 1689 1 7 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.934 -0.872 25753 1690 1 7 . 1 1 41 41 GLU H H 41 8.657 8.657 8.660 -0.003 25753 1691 1 7 . 1 1 42 42 LYS N N 42 116.887 116.887 120.145 -3.258 25753 1692 1 7 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.203 -0.411 25753 1693 1 7 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.941 -0.242 25753 1694 1 7 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.428 -1.628 25753 1695 1 7 . 1 1 42 42 LYS H H 42 8.468 8.468 8.464 0.004 25753 1696 1 7 . 1 1 43 43 ARG N N 43 115.559 115.559 115.537 0.022 25753 1697 1 7 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.573 -0.347 25753 1698 1 7 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.665 0.335 25753 1699 1 7 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.657 -1.857 25753 1700 1 7 . 1 1 43 43 ARG H H 43 8.165 8.165 7.951 0.214 25753 1701 1 7 . 1 1 44 44 ASN N N 44 117.868 117.868 118.952 -1.084 25753 1702 1 7 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.610 0.271 25753 1703 1 7 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.014 -1.614 25753 1704 1 7 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.127 0.073 25753 1705 1 7 . 1 1 44 44 ASN H H 44 7.983 7.983 7.951 0.032 25753 1706 1 7 . 1 1 45 45 LEU N N 45 125.712 125.712 121.413 4.299 25753 1707 1 7 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753 1708 1 7 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.726 1.374 25753 1709 1 7 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.716 -2.649 25753 1710 1 7 . 1 1 45 45 LEU H H 45 8.193 8.193 8.365 -0.172 25753 1711 1 7 . 1 1 46 46 GLN N N 46 120.613 120.613 119.413 1.200 25753 1712 1 7 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.684 -0.019 25753 1713 1 7 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.196 -0.195 25753 1714 1 7 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.098 -1.137 25753 1715 1 7 . 1 1 46 46 GLN H H 46 8.425 8.425 8.632 -0.207 25753 1716 1 7 . 1 1 47 47 CYS N N 47 122.193 122.193 121.043 1.150 25753 1717 1 7 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.009 -0.206 25753 1718 1 7 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.584 -3.884 25753 1719 1 7 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.849 10.151 25753 1720 1 7 . 1 1 47 47 CYS H H 47 9.198 9.198 8.946 0.252 25753 1721 1 7 . 1 1 48 48 ILE N N 48 129.093 129.093 125.672 3.421 25753 1722 1 7 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.748 -0.448 25753 1723 1 7 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.735 0.465 25753 1724 1 7 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.535 -2.435 25753 1725 1 7 . 1 1 48 48 ILE H H 48 8.696 8.696 9.008 -0.312 25753 1726 1 7 . 1 1 49 49 CYS N N 49 126.279 126.279 124.586 1.693 25753 1727 1 7 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.487 0.780 25753 1728 1 7 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.902 -7.515 25753 1729 1 7 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.387 6.160 25753 1730 1 7 . 1 1 49 49 CYS H H 49 8.555 8.555 8.949 -0.394 25753 1731 1 7 . 1 1 50 50 ASP N N 50 122.491 122.491 119.662 2.829 25753 1732 1 7 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.847 0.616 25753 1733 1 7 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.723 -1.623 25753 1734 1 7 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.658 -1.612 25753 1735 1 7 . 1 1 50 50 ASP H H 50 8.813 8.813 8.397 0.416 25753 1736 1 7 . 1 1 51 51 TYR N N 51 124.921 124.921 121.068 3.853 25753 1737 1 7 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.843 -0.643 25753 1738 1 7 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.231 1.869 25753 1739 1 7 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.918 -0.418 25753 1740 1 7 . 1 1 51 51 TYR H H 51 9.633 9.633 8.548 1.085 25753 1741 1 7 . 1 1 52 52 CYS N N 52 120.435 120.435 117.699 2.736 25753 1742 1 7 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.777 -0.363 25753 1743 1 7 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.919 -3.119 25753 1744 1 7 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.733 13.267 25753 1745 1 7 . 1 1 52 52 CYS H H 52 9.550 9.550 8.982 0.568 25753 1746 1 7 . 1 1 53 53 GLU N N 53 120.972 120.972 118.467 2.505 25753 1747 1 7 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.638 -0.391 25753 1748 1 7 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.583 -0.283 25753 1749 1 7 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.009 0.064 25753 1750 1 7 . 1 1 53 53 GLU H H 53 8.335 8.335 8.329 0.006 25753 1751 1 8 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.436 -0.166 25753 1752 1 8 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.575 0.636 25753 1753 1 8 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.920 -0.598 25753 1754 1 8 . 1 1 3 3 LYS H H 3 8.214 8.214 7.881 0.333 25753 1755 1 8 . 1 1 4 4 CYS N N 4 116.570 116.570 118.712 -2.142 25753 1756 1 8 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.312 0.382 25753 1757 1 8 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.490 -3.718 25753 1758 1 8 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.592 15.008 25753 1759 1 8 . 1 1 4 4 CYS H H 4 8.430 8.430 8.418 0.012 25753 1760 1 8 . 1 1 5 5 LYS N N 5 118.500 118.500 118.982 -0.482 25753 1761 1 8 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.454 1.048 25753 1762 1 8 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.024 -1.458 25753 1763 1 8 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.403 0.897 25753 1764 1 8 . 1 1 5 5 LYS H H 5 7.965 7.965 7.840 0.125 25753 1765 1 8 . 1 1 6 6 LYS N N 6 121.002 121.002 121.888 -0.886 25753 1766 1 8 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.588 0.125 25753 1767 1 8 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.893 1.107 25753 1768 1 8 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.820 0.753 25753 1769 1 8 . 1 1 6 6 LYS H H 6 8.980 8.980 7.907 1.073 25753 1770 1 8 . 1 1 7 7 VAL N N 7 127.157 127.157 124.107 3.050 25753 1771 1 8 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.931 -0.018 25753 1772 1 8 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.445 0.955 25753 1773 1 8 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.913 -0.249 25753 1774 1 8 . 1 1 7 7 VAL H H 7 8.756 8.756 8.505 0.251 25753 1775 1 8 . 1 1 8 8 TYR N N 8 129.707 129.707 129.143 0.564 25753 1776 1 8 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.357 0.026 25753 1777 1 8 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.802 -3.652 25753 1778 1 8 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.839 -4.218 25753 1779 1 8 . 1 1 8 8 TYR H H 8 9.160 9.160 8.065 1.095 25753 1780 1 8 . 1 1 9 9 GLU N N 9 130.601 130.601 122.995 7.606 25753 1781 1 8 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.065 0.055 25753 1782 1 8 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.809 -0.911 25753 1783 1 8 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.058 -1.044 25753 1784 1 8 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753 1785 1 8 . 1 1 10 10 ASN N N 10 115.766 115.766 114.313 1.453 25753 1786 1 8 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.831 -0.466 25753 1787 1 8 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.306 0.895 25753 1788 1 8 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.977 -2.017 25753 1789 1 8 . 1 1 10 10 ASN H H 10 9.232 9.232 8.095 1.137 25753 1790 1 8 . 1 1 11 11 TYR N N 11 122.267 122.267 122.506 -0.239 25753 1791 1 8 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.710 -0.575 25753 1792 1 8 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.307 1.640 25753 1793 1 8 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.504 -1.399 25753 1794 1 8 . 1 1 11 11 TYR H H 11 7.473 7.473 8.665 -1.192 25753 1795 1 8 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.590 -0.158 25753 1796 1 8 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.795 -0.949 25753 1797 1 8 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.765 -2.515 25753 1798 1 8 . 1 1 13 13 VAL N N 13 123.595 123.595 125.179 -1.584 25753 1799 1 8 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.657 0.097 25753 1800 1 8 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.298 0.202 25753 1801 1 8 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.908 -0.797 25753 1802 1 8 . 1 1 13 13 VAL H H 13 8.102 8.102 8.468 -0.366 25753 1803 1 8 . 1 1 14 14 SER N N 14 116.945 116.945 115.306 1.639 25753 1804 1 8 . 1 1 14 14 SER HA H 14 4.119 4.119 4.190 -0.071 25753 1805 1 8 . 1 1 14 14 SER CA C 14 61.050 61.050 61.118 -0.068 25753 1806 1 8 . 1 1 14 14 SER CB C 14 61.239 61.239 62.750 -1.511 25753 1807 1 8 . 1 1 14 14 SER H H 14 8.387 8.387 8.106 0.281 25753 1808 1 8 . 1 1 15 15 LYS N N 15 121.073 121.073 122.164 -1.091 25753 1809 1 8 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.191 -0.122 25753 1810 1 8 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.590 0.710 25753 1811 1 8 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.078 -0.843 25753 1812 1 8 . 1 1 15 15 LYS H H 15 7.821 7.821 7.867 -0.046 25753 1813 1 8 . 1 1 16 16 CYS N N 16 115.469 115.469 118.737 -3.268 25753 1814 1 8 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.294 0.442 25753 1815 1 8 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.041 -3.241 25753 1816 1 8 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.927 14.327 25753 1817 1 8 . 1 1 16 16 CYS H H 16 7.844 7.844 7.621 0.223 25753 1818 1 8 . 1 1 17 17 GLN N N 17 115.128 115.128 117.249 -2.121 25753 1819 1 8 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.032 0.181 25753 1820 1 8 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.652 -1.552 25753 1821 1 8 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.958 -0.358 25753 1822 1 8 . 1 1 17 17 GLN H H 17 7.381 7.381 7.512 -0.131 25753 1823 1 8 . 1 1 18 18 LEU N N 18 120.972 120.972 119.971 1.001 25753 1824 1 8 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.613 -0.107 25753 1825 1 8 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.189 0.111 25753 1826 1 8 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.085 0.009 25753 1827 1 8 . 1 1 18 18 LEU H H 18 7.286 7.286 7.752 -0.466 25753 1828 1 8 . 1 1 19 19 ALA N N 19 127.694 127.694 128.730 -1.036 25753 1829 1 8 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.978 0.137 25753 1830 1 8 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.348 -1.748 25753 1831 1 8 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.555 -0.655 25753 1832 1 8 . 1 1 19 19 ALA H H 19 8.556 8.556 8.969 -0.413 25753 1833 1 8 . 1 1 20 20 ASN N N 20 116.006 116.006 114.910 1.096 25753 1834 1 8 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.506 0.121 25753 1835 1 8 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.813 -1.113 25753 1836 1 8 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.026 0.967 25753 1837 1 8 . 1 1 20 20 ASN H H 20 9.044 9.044 8.714 0.330 25753 1838 1 8 . 1 1 21 21 GLN N N 21 122.731 122.731 121.040 1.691 25753 1839 1 8 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.327 -0.496 25753 1840 1 8 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.195 0.005 25753 1841 1 8 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.970 0.120 25753 1842 1 8 . 1 1 21 21 GLN H H 21 7.662 7.662 7.940 -0.278 25753 1843 1 8 . 1 1 22 22 CYS N N 22 118.925 118.925 119.682 -0.757 25753 1844 1 8 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.140 0.123 25753 1845 1 8 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.747 -5.647 25753 1846 1 8 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.437 12.063 25753 1847 1 8 . 1 1 22 22 CYS H H 22 8.475 8.475 7.929 0.546 25753 1848 1 8 . 1 1 23 23 ASN N N 23 118.714 118.714 118.027 0.687 25753 1849 1 8 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.474 -0.668 25753 1850 1 8 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.187 0.213 25753 1851 1 8 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.475 0.556 25753 1852 1 8 . 1 1 23 23 ASN H H 23 7.972 7.972 8.093 -0.121 25753 1853 1 8 . 1 1 24 24 TYR N N 24 117.828 117.828 120.342 -2.514 25753 1854 1 8 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.131 -0.217 25753 1855 1 8 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.310 -0.110 25753 1856 1 8 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.390 -0.307 25753 1857 1 8 . 1 1 24 24 TYR H H 24 8.107 8.107 7.822 0.285 25753 1858 1 8 . 1 1 25 25 ASP N N 25 119.620 119.620 117.414 2.206 25753 1859 1 8 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.261 0.368 25753 1860 1 8 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.041 0.359 25753 1861 1 8 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.571 -1.271 25753 1862 1 8 . 1 1 25 25 ASP H H 25 9.064 9.064 8.519 0.545 25753 1863 1 8 . 1 1 26 26 CYS N N 26 120.031 120.031 120.435 -0.404 25753 1864 1 8 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.257 -0.152 25753 1865 1 8 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.537 -1.337 25753 1866 1 8 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.578 10.022 25753 1867 1 8 . 1 1 26 26 CYS H H 26 9.280 9.280 8.328 0.952 25753 1868 1 8 . 1 1 27 27 LYS N N 27 119.838 119.838 119.043 0.795 25753 1869 1 8 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.244 -0.140 25753 1870 1 8 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753 1871 1 8 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.028 0.172 25753 1872 1 8 . 1 1 27 27 LYS H H 27 7.646 7.646 8.500 -0.854 25753 1873 1 8 . 1 1 28 28 LEU N N 28 119.791 119.791 121.085 -1.294 25753 1874 1 8 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.388 -0.353 25753 1875 1 8 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.672 -0.472 25753 1876 1 8 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.926 -0.934 25753 1877 1 8 . 1 1 28 28 LEU H H 28 8.257 8.257 7.714 0.543 25753 1878 1 8 . 1 1 29 29 ASP N N 29 116.737 116.737 119.323 -2.586 25753 1879 1 8 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.631 -0.155 25753 1880 1 8 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.486 -0.889 25753 1881 1 8 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.620 -1.320 25753 1882 1 8 . 1 1 29 29 ASP H H 29 8.977 8.977 8.551 0.426 25753 1883 1 8 . 1 1 30 30 LYS N N 30 111.907 111.907 117.009 -5.102 25753 1884 1 8 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.267 0.214 25753 1885 1 8 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.638 -3.659 25753 1886 1 8 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.032 -1.548 25753 1887 1 8 . 1 1 30 30 LYS H H 30 6.618 6.618 7.745 -1.127 25753 1888 1 8 . 1 1 31 31 HIS N N 31 112.966 112.966 115.872 -2.906 25753 1889 1 8 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.301 0.241 25753 1890 1 8 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.251 -0.351 25753 1891 1 8 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.431 -2.964 25753 1892 1 8 . 1 1 31 31 HIS H H 31 7.013 7.013 8.063 -1.050 25753 1893 1 8 . 1 1 32 32 ALA N N 32 120.001 120.001 120.500 -0.499 25753 1894 1 8 . 1 1 32 32 ALA HA H 32 4.055 4.055 4.001 0.054 25753 1895 1 8 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.603 -1.203 25753 1896 1 8 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.878 -0.978 25753 1897 1 8 . 1 1 32 32 ALA H H 32 7.644 7.644 7.302 0.342 25753 1898 1 8 . 1 1 33 33 ARG N N 33 116.588 116.588 120.138 -3.550 25753 1899 1 8 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.984 0.153 25753 1900 1 8 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.674 -0.776 25753 1901 1 8 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.700 -0.313 25753 1902 1 8 . 1 1 33 33 ARG H H 33 8.254 8.254 8.437 -0.182 25753 1903 1 8 . 1 1 34 34 SER N N 34 109.178 109.178 109.503 -0.325 25753 1904 1 8 . 1 1 34 34 SER HA H 34 4.593 4.593 4.756 -0.163 25753 1905 1 8 . 1 1 34 34 SER CA C 34 57.500 57.500 57.382 0.118 25753 1906 1 8 . 1 1 34 34 SER CB C 34 64.825 64.825 66.604 -1.779 25753 1907 1 8 . 1 1 34 34 SER H H 34 7.989 7.989 7.771 0.218 25753 1908 1 8 . 1 1 35 35 GLY N N 35 107.345 107.345 106.979 0.366 25753 1909 1 8 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.910 0.790 25753 1910 1 8 . 1 1 35 35 GLY H H 35 8.633 8.633 8.594 0.039 25753 1911 1 8 . 1 1 36 36 GLU N N 36 118.288 118.288 122.019 -3.731 25753 1912 1 8 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.883 -0.591 25753 1913 1 8 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.117 2.083 25753 1914 1 8 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.027 -0.363 25753 1915 1 8 . 1 1 36 36 GLU H H 36 8.236 8.236 8.329 -0.093 25753 1916 1 8 . 1 1 37 37 CYS N N 37 120.776 120.776 118.823 1.953 25753 1917 1 8 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.953 1.050 25753 1918 1 8 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.934 -2.734 25753 1919 1 8 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.337 17.363 25753 1920 1 8 . 1 1 37 37 CYS H H 37 8.856 8.856 8.494 0.362 25753 1921 1 8 . 1 1 38 38 PHE N N 38 121.520 121.520 121.897 -0.377 25753 1922 1 8 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.820 -0.133 25753 1923 1 8 . 1 1 38 38 PHE CA C 38 56.500 56.500 56.164 0.336 25753 1924 1 8 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.457 -0.444 25753 1925 1 8 . 1 1 38 38 PHE H H 38 9.082 9.082 8.876 0.206 25753 1926 1 8 . 1 1 39 39 TYR N N 39 122.581 122.581 123.152 -0.571 25753 1927 1 8 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.733 -0.121 25753 1928 1 8 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.288 0.512 25753 1929 1 8 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.064 0.036 25753 1930 1 8 . 1 1 39 39 TYR H H 39 8.683 8.683 8.595 0.088 25753 1931 1 8 . 1 1 40 40 LYS N N 40 126.022 126.022 124.524 1.498 25753 1932 1 8 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.501 -0.182 25753 1933 1 8 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.827 -0.127 25753 1934 1 8 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.276 -1.476 25753 1935 1 8 . 1 1 40 40 LYS H H 40 8.319 8.319 8.551 -0.232 25753 1936 1 8 . 1 1 41 41 GLU N N 41 120.017 120.017 118.769 1.248 25753 1937 1 8 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.126 0.001 25753 1938 1 8 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.782 -0.982 25753 1939 1 8 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.155 -0.092 25753 1940 1 8 . 1 1 41 41 GLU H H 41 8.657 8.657 8.578 0.079 25753 1941 1 8 . 1 1 42 42 LYS N N 42 116.887 116.887 120.959 -4.072 25753 1942 1 8 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.164 -0.372 25753 1943 1 8 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.947 -0.247 25753 1944 1 8 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.597 -1.797 25753 1945 1 8 . 1 1 42 42 LYS H H 42 8.468 8.468 8.300 0.168 25753 1946 1 8 . 1 1 43 43 ARG N N 43 115.559 115.559 116.656 -1.097 25753 1947 1 8 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.421 -0.195 25753 1948 1 8 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.982 0.018 25753 1949 1 8 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.680 -0.880 25753 1950 1 8 . 1 1 43 43 ARG H H 43 8.165 8.165 8.143 0.022 25753 1951 1 8 . 1 1 44 44 ASN N N 44 117.868 117.868 119.544 -1.676 25753 1952 1 8 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.645 0.236 25753 1953 1 8 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.869 -1.469 25753 1954 1 8 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.248 -0.048 25753 1955 1 8 . 1 1 44 44 ASN H H 44 7.983 7.983 7.888 0.095 25753 1956 1 8 . 1 1 45 45 LEU N N 45 125.712 125.712 120.783 4.929 25753 1957 1 8 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.592 -0.286 25753 1958 1 8 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.855 1.245 25753 1959 1 8 . 1 1 45 45 LEU CB C 45 43.067 43.067 46.018 -2.951 25753 1960 1 8 . 1 1 45 45 LEU H H 45 8.193 8.193 8.412 -0.219 25753 1961 1 8 . 1 1 46 46 GLN N N 46 120.613 120.613 119.239 1.374 25753 1962 1 8 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.690 -0.025 25753 1963 1 8 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.566 0.434 25753 1964 1 8 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.778 -0.817 25753 1965 1 8 . 1 1 46 46 GLN H H 46 8.425 8.425 8.967 -0.542 25753 1966 1 8 . 1 1 47 47 CYS N N 47 122.193 122.193 120.813 1.380 25753 1967 1 8 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.901 -0.098 25753 1968 1 8 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.701 -4.001 25753 1969 1 8 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.100 9.900 25753 1970 1 8 . 1 1 47 47 CYS H H 47 9.198 9.198 8.909 0.289 25753 1971 1 8 . 1 1 48 48 ILE N N 48 129.093 129.093 125.271 3.822 25753 1972 1 8 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.721 -0.421 25753 1973 1 8 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.765 0.435 25753 1974 1 8 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.899 -2.799 25753 1975 1 8 . 1 1 48 48 ILE H H 48 8.696 8.696 8.482 0.214 25753 1976 1 8 . 1 1 49 49 CYS N N 49 126.279 126.279 124.199 2.080 25753 1977 1 8 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.446 0.821 25753 1978 1 8 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.046 -7.659 25753 1979 1 8 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.336 6.211 25753 1980 1 8 . 1 1 49 49 CYS H H 49 8.555 8.555 8.944 -0.389 25753 1981 1 8 . 1 1 50 50 ASP N N 50 122.491 122.491 118.760 3.731 25753 1982 1 8 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.895 0.568 25753 1983 1 8 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.651 -1.551 25753 1984 1 8 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.459 -1.413 25753 1985 1 8 . 1 1 50 50 ASP H H 50 8.813 8.813 8.483 0.330 25753 1986 1 8 . 1 1 51 51 TYR N N 51 124.921 124.921 122.577 2.344 25753 1987 1 8 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.816 -0.616 25753 1988 1 8 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.117 1.983 25753 1989 1 8 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.566 -0.066 25753 1990 1 8 . 1 1 51 51 TYR H H 51 9.633 9.633 7.959 1.674 25753 1991 1 8 . 1 1 52 52 CYS N N 52 120.435 120.435 116.611 3.824 25753 1992 1 8 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.786 -0.372 25753 1993 1 8 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.575 -2.775 25753 1994 1 8 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.172 12.828 25753 1995 1 8 . 1 1 52 52 CYS H H 52 9.550 9.550 7.713 1.837 25753 1996 1 8 . 1 1 53 53 GLU N N 53 120.972 120.972 118.851 2.121 25753 1997 1 8 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.491 -0.244 25753 1998 1 8 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.751 -0.451 25753 1999 1 8 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.442 0.631 25753 2000 1 8 . 1 1 53 53 GLU H H 53 8.335 8.335 8.126 0.209 25753 2001 1 9 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.432 -0.162 25753 2002 1 9 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.211 -0.000 25753 2003 1 9 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.657 -1.335 25753 2004 1 9 . 1 1 3 3 LYS H H 3 8.214 8.214 8.750 -0.536 25753 2005 1 9 . 1 1 4 4 CYS N N 4 116.570 116.570 115.052 1.518 25753 2006 1 9 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.567 0.127 25753 2007 1 9 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.768 -2.996 25753 2008 1 9 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.763 13.837 25753 2009 1 9 . 1 1 4 4 CYS H H 4 8.430 8.430 7.850 0.580 25753 2010 1 9 . 1 1 5 5 LYS N N 5 118.500 118.500 122.863 -4.363 25753 2011 1 9 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.487 1.015 25753 2012 1 9 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.427 -1.861 25753 2013 1 9 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.497 0.803 25753 2014 1 9 . 1 1 5 5 LYS H H 5 7.965 7.965 8.091 -0.126 25753 2015 1 9 . 1 1 6 6 LYS N N 6 121.002 121.002 122.759 -1.757 25753 2016 1 9 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.561 0.152 25753 2017 1 9 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.034 0.966 25753 2018 1 9 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.043 0.530 25753 2019 1 9 . 1 1 6 6 LYS H H 6 8.980 8.980 7.756 1.224 25753 2020 1 9 . 1 1 7 7 VAL N N 7 127.157 127.157 124.709 2.448 25753 2021 1 9 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.874 0.039 25753 2022 1 9 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.349 1.051 25753 2023 1 9 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.633 0.031 25753 2024 1 9 . 1 1 7 7 VAL H H 7 8.756 8.756 8.571 0.185 25753 2025 1 9 . 1 1 8 8 TYR N N 8 129.707 129.707 129.499 0.208 25753 2026 1 9 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.326 0.057 25753 2027 1 9 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.608 -3.458 25753 2028 1 9 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.656 -4.035 25753 2029 1 9 . 1 1 8 8 TYR H H 8 9.160 9.160 8.145 1.015 25753 2030 1 9 . 1 1 9 9 GLU N N 9 130.601 130.601 123.039 7.562 25753 2031 1 9 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.066 0.054 25753 2032 1 9 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.838 -0.940 25753 2033 1 9 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.036 -1.023 25753 2034 1 9 . 1 1 9 9 GLU H H 9 8.964 8.964 8.894 0.070 25753 2035 1 9 . 1 1 10 10 ASN N N 10 115.766 115.766 113.480 2.286 25753 2036 1 9 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.792 -0.426 25753 2037 1 9 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.403 0.797 25753 2038 1 9 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.328 -1.368 25753 2039 1 9 . 1 1 10 10 ASN H H 10 9.232 9.232 8.277 0.955 25753 2040 1 9 . 1 1 11 11 TYR N N 11 122.267 122.267 122.427 -0.160 25753 2041 1 9 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.683 -0.548 25753 2042 1 9 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.407 2.540 25753 2043 1 9 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.690 -0.585 25753 2044 1 9 . 1 1 11 11 TYR H H 11 7.473 7.473 8.307 -0.834 25753 2045 1 9 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.558 -0.126 25753 2046 1 9 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.777 -0.930 25753 2047 1 9 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.372 -2.122 25753 2048 1 9 . 1 1 13 13 VAL N N 13 123.595 123.595 125.336 -1.741 25753 2049 1 9 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.676 0.078 25753 2050 1 9 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.529 0.971 25753 2051 1 9 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.768 -0.657 25753 2052 1 9 . 1 1 13 13 VAL H H 13 8.102 8.102 8.548 -0.446 25753 2053 1 9 . 1 1 14 14 SER N N 14 116.945 116.945 114.661 2.284 25753 2054 1 9 . 1 1 14 14 SER HA H 14 4.119 4.119 4.276 -0.157 25753 2055 1 9 . 1 1 14 14 SER CA C 14 61.050 61.050 61.416 -0.366 25753 2056 1 9 . 1 1 14 14 SER CB C 14 61.239 61.239 62.796 -1.557 25753 2057 1 9 . 1 1 14 14 SER H H 14 8.387 8.387 8.352 0.035 25753 2058 1 9 . 1 1 15 15 LYS N N 15 121.073 121.073 121.423 -0.350 25753 2059 1 9 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.258 -0.189 25753 2060 1 9 . 1 1 15 15 LYS CA C 15 59.300 59.300 57.767 1.533 25753 2061 1 9 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.770 -0.535 25753 2062 1 9 . 1 1 15 15 LYS H H 15 7.821 7.821 7.703 0.118 25753 2063 1 9 . 1 1 16 16 CYS N N 16 115.469 115.469 119.293 -3.824 25753 2064 1 9 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.267 0.469 25753 2065 1 9 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.154 -3.353 25753 2066 1 9 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.076 14.178 25753 2067 1 9 . 1 1 16 16 CYS H H 16 7.844 7.844 7.608 0.236 25753 2068 1 9 . 1 1 17 17 GLN N N 17 115.128 115.128 117.225 -2.097 25753 2069 1 9 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.049 0.164 25753 2070 1 9 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.652 -1.552 25753 2071 1 9 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.921 -0.321 25753 2072 1 9 . 1 1 17 17 GLN H H 17 7.381 7.381 7.801 -0.420 25753 2073 1 9 . 1 1 18 18 LEU N N 18 120.972 120.972 119.885 1.087 25753 2074 1 9 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.624 -0.118 25753 2075 1 9 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.183 0.117 25753 2076 1 9 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.139 -0.045 25753 2077 1 9 . 1 1 18 18 LEU H H 18 7.286 7.286 7.903 -0.617 25753 2078 1 9 . 1 1 19 19 ALA N N 19 127.694 127.694 128.912 -1.218 25753 2079 1 9 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.981 0.134 25753 2080 1 9 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.437 -1.837 25753 2081 1 9 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.525 -0.625 25753 2082 1 9 . 1 1 19 19 ALA H H 19 8.556 8.556 8.980 -0.424 25753 2083 1 9 . 1 1 20 20 ASN N N 20 116.006 116.006 114.895 1.111 25753 2084 1 9 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.494 0.134 25753 2085 1 9 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.870 -1.171 25753 2086 1 9 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.001 0.992 25753 2087 1 9 . 1 1 20 20 ASN H H 20 9.044 9.044 8.746 0.298 25753 2088 1 9 . 1 1 21 21 GLN N N 21 122.731 122.731 120.915 1.816 25753 2089 1 9 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.318 -0.487 25753 2090 1 9 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.134 0.066 25753 2091 1 9 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.988 0.102 25753 2092 1 9 . 1 1 21 21 GLN H H 21 7.662 7.662 7.837 -0.175 25753 2093 1 9 . 1 1 22 22 CYS N N 22 118.925 118.925 119.916 -0.991 25753 2094 1 9 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.129 0.134 25753 2095 1 9 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.793 -5.693 25753 2096 1 9 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.438 12.062 25753 2097 1 9 . 1 1 22 22 CYS H H 22 8.475 8.475 7.965 0.510 25753 2098 1 9 . 1 1 23 23 ASN N N 23 118.714 118.714 117.992 0.722 25753 2099 1 9 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.424 -0.618 25753 2100 1 9 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.132 0.269 25753 2101 1 9 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.496 0.534 25753 2102 1 9 . 1 1 23 23 ASN H H 23 7.972 7.972 8.132 -0.160 25753 2103 1 9 . 1 1 24 24 TYR N N 24 117.828 117.828 120.067 -2.239 25753 2104 1 9 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.118 -0.204 25753 2105 1 9 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.434 -0.234 25753 2106 1 9 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.379 -0.296 25753 2107 1 9 . 1 1 24 24 TYR H H 24 8.107 8.107 7.774 0.333 25753 2108 1 9 . 1 1 25 25 ASP N N 25 119.620 119.620 117.051 2.569 25753 2109 1 9 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.318 0.311 25753 2110 1 9 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.779 0.621 25753 2111 1 9 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.850 -1.550 25753 2112 1 9 . 1 1 25 25 ASP H H 25 9.064 9.064 8.363 0.701 25753 2113 1 9 . 1 1 26 26 CYS N N 26 120.031 120.031 120.455 -0.424 25753 2114 1 9 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.185 -0.080 25753 2115 1 9 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.599 -1.399 25753 2116 1 9 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.510 10.090 25753 2117 1 9 . 1 1 26 26 CYS H H 26 9.280 9.280 8.334 0.946 25753 2118 1 9 . 1 1 27 27 LYS N N 27 119.838 119.838 118.967 0.871 25753 2119 1 9 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.229 -0.125 25753 2120 1 9 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.025 1.275 25753 2121 1 9 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.079 0.121 25753 2122 1 9 . 1 1 27 27 LYS H H 27 7.646 7.646 8.464 -0.818 25753 2123 1 9 . 1 1 28 28 LEU N N 28 119.791 119.791 121.198 -1.407 25753 2124 1 9 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.107 -0.072 25753 2125 1 9 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.465 -0.265 25753 2126 1 9 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.602 -0.610 25753 2127 1 9 . 1 1 28 28 LEU H H 28 8.257 8.257 7.737 0.520 25753 2128 1 9 . 1 1 29 29 ASP N N 29 116.737 116.737 117.312 -0.575 25753 2129 1 9 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.412 0.064 25753 2130 1 9 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.731 -1.134 25753 2131 1 9 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.700 -1.400 25753 2132 1 9 . 1 1 29 29 ASP H H 29 8.977 8.977 8.395 0.582 25753 2133 1 9 . 1 1 30 30 LYS N N 30 111.907 111.907 116.489 -4.582 25753 2134 1 9 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.301 0.180 25753 2135 1 9 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.040 -3.061 25753 2136 1 9 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.677 -1.193 25753 2137 1 9 . 1 1 30 30 LYS H H 30 6.618 6.618 7.687 -1.069 25753 2138 1 9 . 1 1 31 31 HIS N N 31 112.966 112.966 113.188 -0.222 25753 2139 1 9 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.304 0.238 25753 2140 1 9 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.877 -0.977 25753 2141 1 9 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.695 -1.228 25753 2142 1 9 . 1 1 31 31 HIS H H 31 7.013 7.013 7.617 -0.604 25753 2143 1 9 . 1 1 32 32 ALA N N 32 120.001 120.001 120.593 -0.592 25753 2144 1 9 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.805 0.250 25753 2145 1 9 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.276 -0.876 25753 2146 1 9 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.998 -1.098 25753 2147 1 9 . 1 1 32 32 ALA H H 32 7.644 7.644 7.275 0.369 25753 2148 1 9 . 1 1 33 33 ARG N N 33 116.588 116.588 120.462 -3.874 25753 2149 1 9 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.023 0.114 25753 2150 1 9 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.761 -0.863 25753 2151 1 9 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.728 -0.341 25753 2152 1 9 . 1 1 33 33 ARG H H 33 8.254 8.254 8.339 -0.085 25753 2153 1 9 . 1 1 34 34 SER N N 34 109.178 109.178 109.432 -0.254 25753 2154 1 9 . 1 1 34 34 SER HA H 34 4.593 4.593 5.083 -0.490 25753 2155 1 9 . 1 1 34 34 SER CA C 34 57.500 57.500 57.171 0.329 25753 2156 1 9 . 1 1 34 34 SER CB C 34 64.825 64.825 67.103 -2.278 25753 2157 1 9 . 1 1 34 34 SER H H 34 7.989 7.989 7.665 0.324 25753 2158 1 9 . 1 1 35 35 GLY N N 35 107.345 107.345 107.032 0.313 25753 2159 1 9 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.890 0.810 25753 2160 1 9 . 1 1 35 35 GLY H H 35 8.633 8.633 8.457 0.176 25753 2161 1 9 . 1 1 36 36 GLU N N 36 118.288 118.288 122.374 -4.086 25753 2162 1 9 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.810 -0.518 25753 2163 1 9 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.528 0.672 25753 2164 1 9 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.468 -1.804 25753 2165 1 9 . 1 1 36 36 GLU H H 36 8.236 8.236 8.552 -0.316 25753 2166 1 9 . 1 1 37 37 CYS N N 37 120.776 120.776 118.784 1.992 25753 2167 1 9 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.066 0.937 25753 2168 1 9 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.948 -2.748 25753 2169 1 9 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.514 17.186 25753 2170 1 9 . 1 1 37 37 CYS H H 37 8.856 8.856 8.596 0.260 25753 2171 1 9 . 1 1 38 38 PHE N N 38 121.520 121.520 121.848 -0.328 25753 2172 1 9 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.832 -0.145 25753 2173 1 9 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.640 0.860 25753 2174 1 9 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.373 -0.360 25753 2175 1 9 . 1 1 38 38 PHE H H 38 9.082 9.082 9.197 -0.115 25753 2176 1 9 . 1 1 39 39 TYR N N 39 122.581 122.581 123.410 -0.829 25753 2177 1 9 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.714 -0.102 25753 2178 1 9 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.243 0.557 25753 2179 1 9 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.130 -0.030 25753 2180 1 9 . 1 1 39 39 TYR H H 39 8.683 8.683 8.529 0.154 25753 2181 1 9 . 1 1 40 40 LYS N N 40 126.022 126.022 125.087 0.935 25753 2182 1 9 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.618 -0.299 25753 2183 1 9 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.766 0.934 25753 2184 1 9 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.353 -1.553 25753 2185 1 9 . 1 1 40 40 LYS H H 40 8.319 8.319 8.431 -0.112 25753 2186 1 9 . 1 1 41 41 GLU N N 41 120.017 120.017 118.785 1.232 25753 2187 1 9 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753 2188 1 9 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.186 -1.386 25753 2189 1 9 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.931 -0.868 25753 2190 1 9 . 1 1 41 41 GLU H H 41 8.657 8.657 8.624 0.033 25753 2191 1 9 . 1 1 42 42 LYS N N 42 116.887 116.887 120.108 -3.221 25753 2192 1 9 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.176 -0.384 25753 2193 1 9 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.157 -0.458 25753 2194 1 9 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.601 -1.801 25753 2195 1 9 . 1 1 42 42 LYS H H 42 8.468 8.468 8.419 0.049 25753 2196 1 9 . 1 1 43 43 ARG N N 43 115.559 115.559 114.944 0.615 25753 2197 1 9 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.557 -0.331 25753 2198 1 9 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.879 0.121 25753 2199 1 9 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.887 -2.087 25753 2200 1 9 . 1 1 43 43 ARG H H 43 8.165 8.165 7.881 0.284 25753 2201 1 9 . 1 1 44 44 ASN N N 44 117.868 117.868 119.409 -1.541 25753 2202 1 9 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.620 0.261 25753 2203 1 9 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.058 -1.658 25753 2204 1 9 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.266 -0.066 25753 2205 1 9 . 1 1 44 44 ASN H H 44 7.983 7.983 7.898 0.085 25753 2206 1 9 . 1 1 45 45 LEU N N 45 125.712 125.712 121.561 4.151 25753 2207 1 9 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.613 -0.307 25753 2208 1 9 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.696 1.404 25753 2209 1 9 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.745 -2.678 25753 2210 1 9 . 1 1 45 45 LEU H H 45 8.193 8.193 8.357 -0.164 25753 2211 1 9 . 1 1 46 46 GLN N N 46 120.613 120.613 119.488 1.125 25753 2212 1 9 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.675 -0.010 25753 2213 1 9 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.156 -0.156 25753 2214 1 9 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.047 -1.086 25753 2215 1 9 . 1 1 46 46 GLN H H 46 8.425 8.425 8.721 -0.296 25753 2216 1 9 . 1 1 47 47 CYS N N 47 122.193 122.193 121.136 1.057 25753 2217 1 9 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.857 -0.054 25753 2218 1 9 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.629 -3.929 25753 2219 1 9 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.856 10.144 25753 2220 1 9 . 1 1 47 47 CYS H H 47 9.198 9.198 8.936 0.262 25753 2221 1 9 . 1 1 48 48 ILE N N 48 129.093 129.093 125.647 3.446 25753 2222 1 9 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.672 -0.372 25753 2223 1 9 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.711 0.489 25753 2224 1 9 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.496 -2.396 25753 2225 1 9 . 1 1 48 48 ILE H H 48 8.696 8.696 8.956 -0.260 25753 2226 1 9 . 1 1 49 49 CYS N N 49 126.279 126.279 123.980 2.299 25753 2227 1 9 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.497 0.770 25753 2228 1 9 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.727 -7.340 25753 2229 1 9 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.668 5.879 25753 2230 1 9 . 1 1 49 49 CYS H H 49 8.555 8.555 8.966 -0.411 25753 2231 1 9 . 1 1 50 50 ASP N N 50 122.491 122.491 118.895 3.596 25753 2232 1 9 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.917 0.546 25753 2233 1 9 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.948 -1.848 25753 2234 1 9 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.585 -1.539 25753 2235 1 9 . 1 1 50 50 ASP H H 50 8.813 8.813 8.526 0.287 25753 2236 1 9 . 1 1 51 51 TYR N N 51 124.921 124.921 123.769 1.152 25753 2237 1 9 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.774 -0.574 25753 2238 1 9 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.038 2.062 25753 2239 1 9 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.140 0.360 25753 2240 1 9 . 1 1 51 51 TYR H H 51 9.633 9.633 7.927 1.706 25753 2241 1 9 . 1 1 52 52 CYS N N 52 120.435 120.435 116.355 4.080 25753 2242 1 9 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.833 -0.419 25753 2243 1 9 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.723 -2.923 25753 2244 1 9 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.466 13.534 25753 2245 1 9 . 1 1 52 52 CYS H H 52 9.550 9.550 8.455 1.095 25753 2246 1 9 . 1 1 53 53 GLU N N 53 120.972 120.972 118.681 2.291 25753 2247 1 9 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.508 -0.261 25753 2248 1 9 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.841 -0.541 25753 2249 1 9 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.603 0.470 25753 2250 1 9 . 1 1 53 53 GLU H H 53 8.335 8.335 8.300 0.035 25753 2251 1 10 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.084 0.186 25753 2252 1 10 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.478 0.733 25753 2253 1 10 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.114 0.208 25753 2254 1 10 . 1 1 3 3 LYS H H 3 8.214 8.214 8.219 -0.005 25753 2255 1 10 . 1 1 4 4 CYS N N 4 116.570 116.570 121.734 -5.164 25753 2256 1 10 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.295 0.399 25753 2257 1 10 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.585 -2.813 25753 2258 1 10 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.290 14.310 25753 2259 1 10 . 1 1 4 4 CYS H H 4 8.430 8.430 8.591 -0.161 25753 2260 1 10 . 1 1 5 5 LYS N N 5 118.500 118.500 119.267 -0.767 25753 2261 1 10 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.475 1.027 25753 2262 1 10 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.154 -1.588 25753 2263 1 10 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.463 0.837 25753 2264 1 10 . 1 1 5 5 LYS H H 5 7.965 7.965 7.760 0.205 25753 2265 1 10 . 1 1 6 6 LYS N N 6 121.002 121.002 122.505 -1.503 25753 2266 1 10 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.646 0.067 25753 2267 1 10 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.298 -0.298 25753 2268 1 10 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.852 0.721 25753 2269 1 10 . 1 1 6 6 LYS H H 6 8.980 8.980 8.065 0.915 25753 2270 1 10 . 1 1 7 7 VAL N N 7 127.157 127.157 123.975 3.182 25753 2271 1 10 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.994 -0.081 25753 2272 1 10 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.628 0.772 25753 2273 1 10 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.863 -0.199 25753 2274 1 10 . 1 1 7 7 VAL H H 7 8.756 8.756 8.482 0.274 25753 2275 1 10 . 1 1 8 8 TYR N N 8 129.707 129.707 129.061 0.646 25753 2276 1 10 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.385 -0.002 25753 2277 1 10 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.800 -3.650 25753 2278 1 10 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.624 -4.003 25753 2279 1 10 . 1 1 8 8 TYR H H 8 9.160 9.160 8.218 0.942 25753 2280 1 10 . 1 1 9 9 GLU N N 9 130.601 130.601 122.972 7.629 25753 2281 1 10 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.083 0.037 25753 2282 1 10 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.911 -1.013 25753 2283 1 10 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.052 -1.038 25753 2284 1 10 . 1 1 9 9 GLU H H 9 8.964 8.964 8.917 0.047 25753 2285 1 10 . 1 1 10 10 ASN N N 10 115.766 115.766 113.678 2.088 25753 2286 1 10 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.810 -0.445 25753 2287 1 10 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.398 0.802 25753 2288 1 10 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.793 -1.833 25753 2289 1 10 . 1 1 10 10 ASN H H 10 9.232 9.232 8.253 0.979 25753 2290 1 10 . 1 1 11 11 TYR N N 11 122.267 122.267 121.948 0.319 25753 2291 1 10 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.770 -0.635 25753 2292 1 10 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.766 2.181 25753 2293 1 10 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.646 -0.541 25753 2294 1 10 . 1 1 11 11 TYR H H 11 7.473 7.473 8.289 -0.816 25753 2295 1 10 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.576 -0.144 25753 2296 1 10 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.781 -0.934 25753 2297 1 10 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.676 -2.426 25753 2298 1 10 . 1 1 13 13 VAL N N 13 123.595 123.595 125.449 -1.854 25753 2299 1 10 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.687 0.067 25753 2300 1 10 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.350 0.150 25753 2301 1 10 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.812 -0.701 25753 2302 1 10 . 1 1 13 13 VAL H H 13 8.102 8.102 8.596 -0.494 25753 2303 1 10 . 1 1 14 14 SER N N 14 116.945 116.945 115.651 1.294 25753 2304 1 10 . 1 1 14 14 SER HA H 14 4.119 4.119 4.242 -0.123 25753 2305 1 10 . 1 1 14 14 SER CA C 14 61.050 61.050 61.703 -0.653 25753 2306 1 10 . 1 1 14 14 SER CB C 14 61.239 61.239 62.839 -1.600 25753 2307 1 10 . 1 1 14 14 SER H H 14 8.387 8.387 8.323 0.064 25753 2308 1 10 . 1 1 15 15 LYS N N 15 121.073 121.073 121.799 -0.726 25753 2309 1 10 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.147 -0.078 25753 2310 1 10 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.628 0.672 25753 2311 1 10 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.141 -0.906 25753 2312 1 10 . 1 1 15 15 LYS H H 15 7.821 7.821 8.330 -0.509 25753 2313 1 10 . 1 1 16 16 CYS N N 16 115.469 115.469 118.842 -3.373 25753 2314 1 10 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.258 0.478 25753 2315 1 10 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.853 -3.053 25753 2316 1 10 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.925 14.329 25753 2317 1 10 . 1 1 16 16 CYS H H 16 7.844 7.844 7.725 0.119 25753 2318 1 10 . 1 1 17 17 GLN N N 17 115.128 115.128 117.244 -2.116 25753 2319 1 10 . 1 1 17 17 GLN HA H 17 4.213 4.213 3.991 0.222 25753 2320 1 10 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.470 -1.370 25753 2321 1 10 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.897 -0.297 25753 2322 1 10 . 1 1 17 17 GLN H H 17 7.381 7.381 7.493 -0.112 25753 2323 1 10 . 1 1 18 18 LEU N N 18 120.972 120.972 119.735 1.237 25753 2324 1 10 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.536 -0.030 25753 2325 1 10 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.445 -0.145 25753 2326 1 10 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.231 -0.137 25753 2327 1 10 . 1 1 18 18 LEU H H 18 7.286 7.286 7.554 -0.268 25753 2328 1 10 . 1 1 19 19 ALA N N 19 127.694 127.694 128.860 -1.166 25753 2329 1 10 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.989 0.126 25753 2330 1 10 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.528 -1.928 25753 2331 1 10 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.458 -0.558 25753 2332 1 10 . 1 1 19 19 ALA H H 19 8.556 8.556 8.954 -0.398 25753 2333 1 10 . 1 1 20 20 ASN N N 20 116.006 116.006 115.215 0.791 25753 2334 1 10 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.380 0.247 25753 2335 1 10 . 1 1 20 20 ASN CA C 20 54.700 54.700 56.426 -1.726 25753 2336 1 10 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.749 1.244 25753 2337 1 10 . 1 1 20 20 ASN H H 20 9.044 9.044 8.758 0.286 25753 2338 1 10 . 1 1 21 21 GLN N N 21 122.731 122.731 120.523 2.208 25753 2339 1 10 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.260 -0.429 25753 2340 1 10 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.241 -0.041 25753 2341 1 10 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.704 0.386 25753 2342 1 10 . 1 1 21 21 GLN H H 21 7.662 7.662 7.408 0.254 25753 2343 1 10 . 1 1 22 22 CYS N N 22 118.925 118.925 120.018 -1.093 25753 2344 1 10 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.103 0.160 25753 2345 1 10 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.682 -5.582 25753 2346 1 10 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.356 12.144 25753 2347 1 10 . 1 1 22 22 CYS H H 22 8.475 8.475 7.829 0.646 25753 2348 1 10 . 1 1 23 23 ASN N N 23 118.714 118.714 118.120 0.594 25753 2349 1 10 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.501 -0.695 25753 2350 1 10 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.038 0.362 25753 2351 1 10 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.564 0.467 25753 2352 1 10 . 1 1 23 23 ASN H H 23 7.972 7.972 8.222 -0.250 25753 2353 1 10 . 1 1 24 24 TYR N N 24 117.828 117.828 120.030 -2.202 25753 2354 1 10 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.125 -0.211 25753 2355 1 10 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.465 -0.265 25753 2356 1 10 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.444 -0.361 25753 2357 1 10 . 1 1 24 24 TYR H H 24 8.107 8.107 7.883 0.224 25753 2358 1 10 . 1 1 25 25 ASP N N 25 119.620 119.620 117.242 2.378 25753 2359 1 10 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.403 0.226 25753 2360 1 10 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.772 0.629 25753 2361 1 10 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.972 -1.672 25753 2362 1 10 . 1 1 25 25 ASP H H 25 9.064 9.064 8.387 0.677 25753 2363 1 10 . 1 1 26 26 CYS N N 26 120.031 120.031 120.395 -0.364 25753 2364 1 10 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753 2365 1 10 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.660 -1.460 25753 2366 1 10 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.521 10.079 25753 2367 1 10 . 1 1 26 26 CYS H H 26 9.280 9.280 8.407 0.873 25753 2368 1 10 . 1 1 27 27 LYS N N 27 119.838 119.838 118.980 0.858 25753 2369 1 10 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.215 -0.111 25753 2370 1 10 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.030 1.270 25753 2371 1 10 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.047 0.153 25753 2372 1 10 . 1 1 27 27 LYS H H 27 7.646 7.646 8.399 -0.753 25753 2373 1 10 . 1 1 28 28 LEU N N 28 119.791 119.791 121.245 -1.454 25753 2374 1 10 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.375 -0.340 25753 2375 1 10 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.608 -0.408 25753 2376 1 10 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.780 -0.788 25753 2377 1 10 . 1 1 28 28 LEU H H 28 8.257 8.257 7.895 0.362 25753 2378 1 10 . 1 1 29 29 ASP N N 29 116.737 116.737 119.619 -2.882 25753 2379 1 10 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.665 -0.189 25753 2380 1 10 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.252 -0.655 25753 2381 1 10 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.434 -1.134 25753 2382 1 10 . 1 1 29 29 ASP H H 29 8.977 8.977 8.562 0.415 25753 2383 1 10 . 1 1 30 30 LYS N N 30 111.907 111.907 116.520 -4.613 25753 2384 1 10 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.329 0.152 25753 2385 1 10 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.321 -3.342 25753 2386 1 10 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.132 -1.648 25753 2387 1 10 . 1 1 30 30 LYS H H 30 6.618 6.618 7.803 -1.185 25753 2388 1 10 . 1 1 31 31 HIS N N 31 112.966 112.966 116.021 -3.055 25753 2389 1 10 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.287 0.255 25753 2390 1 10 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.670 -0.770 25753 2391 1 10 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.402 -2.935 25753 2392 1 10 . 1 1 31 31 HIS H H 31 7.013 7.013 7.951 -0.938 25753 2393 1 10 . 1 1 32 32 ALA N N 32 120.001 120.001 120.111 -0.110 25753 2394 1 10 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.954 0.101 25753 2395 1 10 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.973 -1.573 25753 2396 1 10 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.555 -0.655 25753 2397 1 10 . 1 1 32 32 ALA H H 32 7.644 7.644 7.321 0.323 25753 2398 1 10 . 1 1 33 33 ARG N N 33 116.588 116.588 120.355 -3.767 25753 2399 1 10 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.970 0.167 25753 2400 1 10 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.001 -1.103 25753 2401 1 10 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.702 -0.315 25753 2402 1 10 . 1 1 33 33 ARG H H 33 8.254 8.254 8.393 -0.139 25753 2403 1 10 . 1 1 34 34 SER N N 34 109.178 109.178 108.806 0.372 25753 2404 1 10 . 1 1 34 34 SER HA H 34 4.593 4.593 4.664 -0.071 25753 2405 1 10 . 1 1 34 34 SER CA C 34 57.500 57.500 57.429 0.071 25753 2406 1 10 . 1 1 34 34 SER CB C 34 64.825 64.825 66.592 -1.767 25753 2407 1 10 . 1 1 34 34 SER H H 34 7.989 7.989 7.506 0.483 25753 2408 1 10 . 1 1 35 35 GLY N N 35 107.345 107.345 106.678 0.667 25753 2409 1 10 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.838 0.862 25753 2410 1 10 . 1 1 35 35 GLY H H 35 8.633 8.633 8.835 -0.202 25753 2411 1 10 . 1 1 36 36 GLU N N 36 118.288 118.288 121.431 -3.143 25753 2412 1 10 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.722 -0.430 25753 2413 1 10 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.075 1.125 25753 2414 1 10 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.677 -2.013 25753 2415 1 10 . 1 1 36 36 GLU H H 36 8.236 8.236 8.363 -0.127 25753 2416 1 10 . 1 1 37 37 CYS N N 37 120.776 120.776 118.499 2.277 25753 2417 1 10 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.885 1.118 25753 2418 1 10 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.242 -2.042 25753 2419 1 10 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.541 17.159 25753 2420 1 10 . 1 1 37 37 CYS H H 37 8.856 8.856 8.440 0.416 25753 2421 1 10 . 1 1 38 38 PHE N N 38 121.520 121.520 121.206 0.314 25753 2422 1 10 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753 2423 1 10 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.012 1.488 25753 2424 1 10 . 1 1 38 38 PHE CB C 38 43.013 43.013 41.971 1.042 25753 2425 1 10 . 1 1 38 38 PHE H H 38 9.082 9.082 8.982 0.100 25753 2426 1 10 . 1 1 39 39 TYR N N 39 122.581 122.581 121.366 1.215 25753 2427 1 10 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.661 -0.049 25753 2428 1 10 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.403 0.397 25753 2429 1 10 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.599 0.501 25753 2430 1 10 . 1 1 39 39 TYR H H 39 8.683 8.683 8.775 -0.092 25753 2431 1 10 . 1 1 40 40 LYS N N 40 126.022 126.022 125.375 0.647 25753 2432 1 10 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.631 -0.312 25753 2433 1 10 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.011 0.689 25753 2434 1 10 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.045 -1.246 25753 2435 1 10 . 1 1 40 40 LYS H H 40 8.319 8.319 8.355 -0.036 25753 2436 1 10 . 1 1 41 41 GLU N N 41 120.017 120.017 118.107 1.910 25753 2437 1 10 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.058 0.069 25753 2438 1 10 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.883 -1.083 25753 2439 1 10 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.345 -0.282 25753 2440 1 10 . 1 1 41 41 GLU H H 41 8.657 8.657 8.520 0.137 25753 2441 1 10 . 1 1 42 42 LYS N N 42 116.887 116.887 121.347 -4.460 25753 2442 1 10 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.153 -0.361 25753 2443 1 10 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.328 -0.628 25753 2444 1 10 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.438 -1.638 25753 2445 1 10 . 1 1 42 42 LYS H H 42 8.468 8.468 8.474 -0.006 25753 2446 1 10 . 1 1 43 43 ARG N N 43 115.559 115.559 115.387 0.172 25753 2447 1 10 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.456 -0.230 25753 2448 1 10 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.693 0.307 25753 2449 1 10 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.332 -1.532 25753 2450 1 10 . 1 1 43 43 ARG H H 43 8.165 8.165 8.313 -0.148 25753 2451 1 10 . 1 1 44 44 ASN N N 44 117.868 117.868 118.684 -0.816 25753 2452 1 10 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.649 0.232 25753 2453 1 10 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.890 -1.490 25753 2454 1 10 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.182 0.018 25753 2455 1 10 . 1 1 44 44 ASN H H 44 7.983 7.983 8.176 -0.193 25753 2456 1 10 . 1 1 45 45 LEU N N 45 125.712 125.712 121.623 4.089 25753 2457 1 10 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.631 -0.325 25753 2458 1 10 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.679 1.421 25753 2459 1 10 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.607 -2.540 25753 2460 1 10 . 1 1 45 45 LEU H H 45 8.193 8.193 8.368 -0.175 25753 2461 1 10 . 1 1 46 46 GLN N N 46 120.613 120.613 119.582 1.031 25753 2462 1 10 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.661 0.004 25753 2463 1 10 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.430 -0.430 25753 2464 1 10 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.115 -1.155 25753 2465 1 10 . 1 1 46 46 GLN H H 46 8.425 8.425 8.217 0.208 25753 2466 1 10 . 1 1 47 47 CYS N N 47 122.193 122.193 121.455 0.738 25753 2467 1 10 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.874 -0.071 25753 2468 1 10 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.514 -3.814 25753 2469 1 10 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.592 10.408 25753 2470 1 10 . 1 1 47 47 CYS H H 47 9.198 9.198 8.947 0.251 25753 2471 1 10 . 1 1 48 48 ILE N N 48 129.093 129.093 125.502 3.591 25753 2472 1 10 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.710 -0.410 25753 2473 1 10 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.924 0.276 25753 2474 1 10 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.707 -2.607 25753 2475 1 10 . 1 1 48 48 ILE H H 48 8.696 8.696 8.317 0.379 25753 2476 1 10 . 1 1 49 49 CYS N N 49 126.279 126.279 124.449 1.830 25753 2477 1 10 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.432 0.835 25753 2478 1 10 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.997 -7.610 25753 2479 1 10 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.277 6.270 25753 2480 1 10 . 1 1 49 49 CYS H H 49 8.555 8.555 8.932 -0.377 25753 2481 1 10 . 1 1 50 50 ASP N N 50 122.491 122.491 119.504 2.987 25753 2482 1 10 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.872 0.591 25753 2483 1 10 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.515 -1.415 25753 2484 1 10 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.498 -1.452 25753 2485 1 10 . 1 1 50 50 ASP H H 50 8.813 8.813 8.349 0.464 25753 2486 1 10 . 1 1 51 51 TYR N N 51 124.921 124.921 120.746 4.175 25753 2487 1 10 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.806 -0.606 25753 2488 1 10 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.121 1.979 25753 2489 1 10 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.083 -0.583 25753 2490 1 10 . 1 1 51 51 TYR H H 51 9.633 9.633 8.484 1.149 25753 2491 1 10 . 1 1 52 52 CYS N N 52 120.435 120.435 118.157 2.278 25753 2492 1 10 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.787 -0.373 25753 2493 1 10 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.326 -3.526 25753 2494 1 10 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.234 13.766 25753 2495 1 10 . 1 1 52 52 CYS H H 52 9.550 9.550 8.188 1.362 25753 2496 1 10 . 1 1 53 53 GLU N N 53 120.972 120.972 120.549 0.423 25753 2497 1 10 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.560 -0.313 25753 2498 1 10 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.740 -0.440 25753 2499 1 10 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.460 -0.387 25753 2500 1 10 . 1 1 53 53 GLU H H 53 8.335 8.335 8.371 -0.036 25753 2501 1 11 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.159 0.111 25753 2502 1 11 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.420 -0.209 25753 2503 1 11 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.479 -0.157 25753 2504 1 11 . 1 1 3 3 LYS H H 3 8.214 8.214 8.136 0.078 25753 2505 1 11 . 1 1 4 4 CYS N N 4 116.570 116.570 118.948 -2.378 25753 2506 1 11 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.319 0.375 25753 2507 1 11 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.510 -3.738 25753 2508 1 11 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.348 14.252 25753 2509 1 11 . 1 1 4 4 CYS H H 4 8.430 8.430 8.442 -0.012 25753 2510 1 11 . 1 1 5 5 LYS N N 5 118.500 118.500 120.192 -1.692 25753 2511 1 11 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.490 1.012 25753 2512 1 11 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.333 -1.767 25753 2513 1 11 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.507 0.793 25753 2514 1 11 . 1 1 5 5 LYS H H 5 7.965 7.965 7.926 0.039 25753 2515 1 11 . 1 1 6 6 LYS N N 6 121.002 121.002 123.036 -2.034 25753 2516 1 11 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.527 0.186 25753 2517 1 11 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.782 1.218 25753 2518 1 11 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.558 1.015 25753 2519 1 11 . 1 1 6 6 LYS H H 6 8.980 8.980 7.793 1.187 25753 2520 1 11 . 1 1 7 7 VAL N N 7 127.157 127.157 124.667 2.490 25753 2521 1 11 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.924 -0.011 25753 2522 1 11 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.654 1.746 25753 2523 1 11 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.466 0.198 25753 2524 1 11 . 1 1 7 7 VAL H H 7 8.756 8.756 8.502 0.254 25753 2525 1 11 . 1 1 8 8 TYR N N 8 129.707 129.707 130.082 -0.375 25753 2526 1 11 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.344 0.039 25753 2527 1 11 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.759 -3.609 25753 2528 1 11 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.898 -4.277 25753 2529 1 11 . 1 1 8 8 TYR H H 8 9.160 9.160 8.138 1.022 25753 2530 1 11 . 1 1 9 9 GLU N N 9 130.601 130.601 123.039 7.562 25753 2531 1 11 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753 2532 1 11 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.911 -1.013 25753 2533 1 11 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.044 -1.031 25753 2534 1 11 . 1 1 9 9 GLU H H 9 8.964 8.964 8.893 0.071 25753 2535 1 11 . 1 1 10 10 ASN N N 10 115.766 115.766 113.335 2.431 25753 2536 1 11 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.791 -0.426 25753 2537 1 11 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.408 0.792 25753 2538 1 11 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.431 -1.471 25753 2539 1 11 . 1 1 10 10 ASN H H 10 9.232 9.232 8.282 0.950 25753 2540 1 11 . 1 1 11 11 TYR N N 11 122.267 122.267 121.953 0.314 25753 2541 1 11 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.763 -0.628 25753 2542 1 11 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.835 2.112 25753 2543 1 11 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.713 -0.608 25753 2544 1 11 . 1 1 11 11 TYR H H 11 7.473 7.473 8.261 -0.788 25753 2545 1 11 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.576 -0.144 25753 2546 1 11 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.745 -0.898 25753 2547 1 11 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.710 -2.460 25753 2548 1 11 . 1 1 13 13 VAL N N 13 123.595 123.595 124.783 -1.188 25753 2549 1 11 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.700 0.054 25753 2550 1 11 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.361 0.139 25753 2551 1 11 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.890 -0.778 25753 2552 1 11 . 1 1 13 13 VAL H H 13 8.102 8.102 8.568 -0.466 25753 2553 1 11 . 1 1 14 14 SER N N 14 116.945 116.945 115.592 1.353 25753 2554 1 11 . 1 1 14 14 SER HA H 14 4.119 4.119 4.296 -0.177 25753 2555 1 11 . 1 1 14 14 SER CA C 14 61.050 61.050 61.352 -0.302 25753 2556 1 11 . 1 1 14 14 SER CB C 14 61.239 61.239 62.791 -1.552 25753 2557 1 11 . 1 1 14 14 SER H H 14 8.387 8.387 8.222 0.165 25753 2558 1 11 . 1 1 15 15 LYS N N 15 121.073 121.073 121.968 -0.895 25753 2559 1 11 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.121 -0.052 25753 2560 1 11 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.776 0.524 25753 2561 1 11 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.061 -0.826 25753 2562 1 11 . 1 1 15 15 LYS H H 15 7.821 7.821 8.380 -0.559 25753 2563 1 11 . 1 1 16 16 CYS N N 16 115.469 115.469 118.652 -3.183 25753 2564 1 11 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.309 0.427 25753 2565 1 11 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.877 -3.077 25753 2566 1 11 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.942 14.312 25753 2567 1 11 . 1 1 16 16 CYS H H 16 7.844 7.844 7.624 0.220 25753 2568 1 11 . 1 1 17 17 GLN N N 17 115.128 115.128 117.176 -2.048 25753 2569 1 11 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.030 0.183 25753 2570 1 11 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.461 -1.361 25753 2571 1 11 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.953 -0.353 25753 2572 1 11 . 1 1 17 17 GLN H H 17 7.381 7.381 7.499 -0.118 25753 2573 1 11 . 1 1 18 18 LEU N N 18 120.972 120.972 119.416 1.556 25753 2574 1 11 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.557 -0.051 25753 2575 1 11 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.336 -0.036 25753 2576 1 11 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.652 -0.558 25753 2577 1 11 . 1 1 18 18 LEU H H 18 7.286 7.286 7.587 -0.301 25753 2578 1 11 . 1 1 19 19 ALA N N 19 127.694 127.694 128.460 -0.766 25753 2579 1 11 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.055 0.060 25753 2580 1 11 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.705 -2.105 25753 2581 1 11 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.537 -0.637 25753 2582 1 11 . 1 1 19 19 ALA H H 19 8.556 8.556 8.963 -0.407 25753 2583 1 11 . 1 1 20 20 ASN N N 20 116.006 116.006 114.786 1.220 25753 2584 1 11 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.458 0.170 25753 2585 1 11 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.816 -1.115 25753 2586 1 11 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.482 1.511 25753 2587 1 11 . 1 1 20 20 ASN H H 20 9.044 9.044 8.767 0.277 25753 2588 1 11 . 1 1 21 21 GLN N N 21 122.731 122.731 120.483 2.248 25753 2589 1 11 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.236 -0.405 25753 2590 1 11 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.223 -0.023 25753 2591 1 11 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.597 0.493 25753 2592 1 11 . 1 1 21 21 GLN H H 21 7.662 7.662 7.407 0.255 25753 2593 1 11 . 1 1 22 22 CYS N N 22 118.925 118.925 119.831 -0.906 25753 2594 1 11 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.139 0.124 25753 2595 1 11 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.662 -5.562 25753 2596 1 11 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.376 12.124 25753 2597 1 11 . 1 1 22 22 CYS H H 22 8.475 8.475 7.853 0.622 25753 2598 1 11 . 1 1 23 23 ASN N N 23 118.714 118.714 118.193 0.521 25753 2599 1 11 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.480 -0.674 25753 2600 1 11 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.005 0.395 25753 2601 1 11 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.568 0.463 25753 2602 1 11 . 1 1 23 23 ASN H H 23 7.972 7.972 8.245 -0.273 25753 2603 1 11 . 1 1 24 24 TYR N N 24 117.828 117.828 120.228 -2.400 25753 2604 1 11 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.131 -0.217 25753 2605 1 11 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.429 -0.229 25753 2606 1 11 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.396 -0.313 25753 2607 1 11 . 1 1 24 24 TYR H H 24 8.107 8.107 7.906 0.201 25753 2608 1 11 . 1 1 25 25 ASP N N 25 119.620 119.620 117.181 2.439 25753 2609 1 11 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.327 0.302 25753 2610 1 11 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.745 0.655 25753 2611 1 11 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.885 -1.585 25753 2612 1 11 . 1 1 25 25 ASP H H 25 9.064 9.064 8.419 0.645 25753 2613 1 11 . 1 1 26 26 CYS N N 26 120.031 120.031 120.386 -0.355 25753 2614 1 11 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.223 -0.118 25753 2615 1 11 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.643 -1.443 25753 2616 1 11 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.540 10.060 25753 2617 1 11 . 1 1 26 26 CYS H H 26 9.280 9.280 8.356 0.924 25753 2618 1 11 . 1 1 27 27 LYS N N 27 119.838 119.838 119.043 0.795 25753 2619 1 11 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.298 -0.194 25753 2620 1 11 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.105 1.195 25753 2621 1 11 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.118 0.082 25753 2622 1 11 . 1 1 27 27 LYS H H 27 7.646 7.646 8.473 -0.827 25753 2623 1 11 . 1 1 28 28 LEU N N 28 119.791 119.791 121.201 -1.410 25753 2624 1 11 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.112 -0.077 25753 2625 1 11 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.550 -0.350 25753 2626 1 11 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.816 -0.823 25753 2627 1 11 . 1 1 28 28 LEU H H 28 8.257 8.257 7.824 0.433 25753 2628 1 11 . 1 1 29 29 ASP N N 29 116.737 116.737 118.387 -1.650 25753 2629 1 11 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.638 -0.162 25753 2630 1 11 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.254 -0.657 25753 2631 1 11 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.662 -1.362 25753 2632 1 11 . 1 1 29 29 ASP H H 29 8.977 8.977 8.564 0.413 25753 2633 1 11 . 1 1 30 30 LYS N N 30 111.907 111.907 116.508 -4.601 25753 2634 1 11 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.312 0.169 25753 2635 1 11 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.844 -2.865 25753 2636 1 11 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.933 -1.449 25753 2637 1 11 . 1 1 30 30 LYS H H 30 6.618 6.618 7.816 -1.198 25753 2638 1 11 . 1 1 31 31 HIS N N 31 112.966 112.966 115.818 -2.852 25753 2639 1 11 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.279 0.263 25753 2640 1 11 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.073 -0.173 25753 2641 1 11 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.403 -2.936 25753 2642 1 11 . 1 1 31 31 HIS H H 31 7.013 7.013 7.878 -0.865 25753 2643 1 11 . 1 1 32 32 ALA N N 32 120.001 120.001 119.809 0.192 25753 2644 1 11 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.879 0.176 25753 2645 1 11 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.540 -1.140 25753 2646 1 11 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.889 -0.989 25753 2647 1 11 . 1 1 32 32 ALA H H 32 7.644 7.644 7.302 0.342 25753 2648 1 11 . 1 1 33 33 ARG N N 33 116.588 116.588 120.441 -3.853 25753 2649 1 11 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.028 0.109 25753 2650 1 11 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.782 -0.884 25753 2651 1 11 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.767 -0.380 25753 2652 1 11 . 1 1 33 33 ARG H H 33 8.254 8.254 8.375 -0.121 25753 2653 1 11 . 1 1 34 34 SER N N 34 109.178 109.178 109.298 -0.120 25753 2654 1 11 . 1 1 34 34 SER HA H 34 4.593 4.593 5.060 -0.467 25753 2655 1 11 . 1 1 34 34 SER CA C 34 57.500 57.500 57.255 0.245 25753 2656 1 11 . 1 1 34 34 SER CB C 34 64.825 64.825 67.028 -2.203 25753 2657 1 11 . 1 1 34 34 SER H H 34 7.989 7.989 7.628 0.361 25753 2658 1 11 . 1 1 35 35 GLY N N 35 107.345 107.345 106.955 0.390 25753 2659 1 11 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.933 0.767 25753 2660 1 11 . 1 1 35 35 GLY H H 35 8.633 8.633 8.450 0.183 25753 2661 1 11 . 1 1 36 36 GLU N N 36 118.288 118.288 122.119 -3.831 25753 2662 1 11 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.845 -0.553 25753 2663 1 11 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.405 0.795 25753 2664 1 11 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.679 -2.015 25753 2665 1 11 . 1 1 36 36 GLU H H 36 8.236 8.236 8.669 -0.433 25753 2666 1 11 . 1 1 37 37 CYS N N 37 120.776 120.776 118.982 1.794 25753 2667 1 11 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.143 0.860 25753 2668 1 11 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.648 -2.448 25753 2669 1 11 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.527 17.173 25753 2670 1 11 . 1 1 37 37 CYS H H 37 8.856 8.856 8.675 0.181 25753 2671 1 11 . 1 1 38 38 PHE N N 38 121.520 121.520 122.165 -0.645 25753 2672 1 11 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.856 -0.169 25753 2673 1 11 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.655 0.845 25753 2674 1 11 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.388 0.625 25753 2675 1 11 . 1 1 38 38 PHE H H 38 9.082 9.082 9.182 -0.100 25753 2676 1 11 . 1 1 39 39 TYR N N 39 122.581 122.581 122.149 0.432 25753 2677 1 11 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.707 -0.095 25753 2678 1 11 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.267 0.532 25753 2679 1 11 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.915 0.185 25753 2680 1 11 . 1 1 39 39 TYR H H 39 8.683 8.683 8.600 0.083 25753 2681 1 11 . 1 1 40 40 LYS N N 40 126.022 126.022 125.101 0.921 25753 2682 1 11 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753 2683 1 11 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.818 0.882 25753 2684 1 11 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.321 -1.521 25753 2685 1 11 . 1 1 40 40 LYS H H 40 8.319 8.319 8.441 -0.122 25753 2686 1 11 . 1 1 41 41 GLU N N 41 120.017 120.017 118.871 1.146 25753 2687 1 11 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.102 0.025 25753 2688 1 11 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.224 -1.424 25753 2689 1 11 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.910 -0.847 25753 2690 1 11 . 1 1 41 41 GLU H H 41 8.657 8.657 8.629 0.028 25753 2691 1 11 . 1 1 42 42 LYS N N 42 116.887 116.887 120.224 -3.337 25753 2692 1 11 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.209 -0.417 25753 2693 1 11 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.133 -0.433 25753 2694 1 11 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.589 -1.789 25753 2695 1 11 . 1 1 42 42 LYS H H 42 8.468 8.468 8.413 0.055 25753 2696 1 11 . 1 1 43 43 ARG N N 43 115.559 115.559 115.024 0.535 25753 2697 1 11 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.557 -0.331 25753 2698 1 11 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.946 0.055 25753 2699 1 11 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.880 -2.080 25753 2700 1 11 . 1 1 43 43 ARG H H 43 8.165 8.165 7.810 0.355 25753 2701 1 11 . 1 1 44 44 ASN N N 44 117.868 117.868 119.352 -1.484 25753 2702 1 11 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.612 0.269 25753 2703 1 11 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.076 -1.676 25753 2704 1 11 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.313 -0.113 25753 2705 1 11 . 1 1 44 44 ASN H H 44 7.983 7.983 7.897 0.086 25753 2706 1 11 . 1 1 45 45 LEU N N 45 125.712 125.712 121.469 4.243 25753 2707 1 11 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.617 -0.311 25753 2708 1 11 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.706 1.395 25753 2709 1 11 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.766 -2.699 25753 2710 1 11 . 1 1 45 45 LEU H H 45 8.193 8.193 8.348 -0.155 25753 2711 1 11 . 1 1 46 46 GLN N N 46 120.613 120.613 119.508 1.105 25753 2712 1 11 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.676 -0.011 25753 2713 1 11 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.187 -0.187 25753 2714 1 11 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.076 -1.115 25753 2715 1 11 . 1 1 46 46 GLN H H 46 8.425 8.425 8.596 -0.171 25753 2716 1 11 . 1 1 47 47 CYS N N 47 122.193 122.193 121.051 1.142 25753 2717 1 11 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.868 -0.065 25753 2718 1 11 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.603 -3.903 25753 2719 1 11 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.916 10.084 25753 2720 1 11 . 1 1 47 47 CYS H H 47 9.198 9.198 8.939 0.259 25753 2721 1 11 . 1 1 48 48 ILE N N 48 129.093 129.093 125.671 3.422 25753 2722 1 11 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.695 -0.395 25753 2723 1 11 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.714 0.486 25753 2724 1 11 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.566 -2.466 25753 2725 1 11 . 1 1 48 48 ILE H H 48 8.696 8.696 9.023 -0.327 25753 2726 1 11 . 1 1 49 49 CYS N N 49 126.279 126.279 123.980 2.299 25753 2727 1 11 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.519 0.748 25753 2728 1 11 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.728 -7.341 25753 2729 1 11 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.683 5.864 25753 2730 1 11 . 1 1 49 49 CYS H H 49 8.555 8.555 8.977 -0.422 25753 2731 1 11 . 1 1 50 50 ASP N N 50 122.491 122.491 118.890 3.601 25753 2732 1 11 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.918 0.545 25753 2733 1 11 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.948 -1.848 25753 2734 1 11 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.602 -1.556 25753 2735 1 11 . 1 1 50 50 ASP H H 50 8.813 8.813 8.509 0.304 25753 2736 1 11 . 1 1 51 51 TYR N N 51 124.921 124.921 123.688 1.233 25753 2737 1 11 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753 2738 1 11 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.015 2.085 25753 2739 1 11 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.159 0.341 25753 2740 1 11 . 1 1 51 51 TYR H H 51 9.633 9.633 7.924 1.709 25753 2741 1 11 . 1 1 52 52 CYS N N 52 120.435 120.435 116.229 4.206 25753 2742 1 11 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.923 -0.509 25753 2743 1 11 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.800 -3.000 25753 2744 1 11 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.183 13.817 25753 2745 1 11 . 1 1 52 52 CYS H H 52 9.550 9.550 8.580 0.970 25753 2746 1 11 . 1 1 53 53 GLU N N 53 120.972 120.972 118.821 2.151 25753 2747 1 11 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.543 -0.296 25753 2748 1 11 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.193 -0.893 25753 2749 1 11 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.871 0.202 25753 2750 1 11 . 1 1 53 53 GLU H H 53 8.335 8.335 8.349 -0.014 25753 2751 1 12 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.307 -0.037 25753 2752 1 12 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.130 0.081 25753 2753 1 12 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.979 -0.657 25753 2754 1 12 . 1 1 3 3 LYS H H 3 8.214 8.214 8.500 -0.286 25753 2755 1 12 . 1 1 4 4 CYS N N 4 116.570 116.570 117.645 -1.075 25753 2756 1 12 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.311 0.383 25753 2757 1 12 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.312 -3.540 25753 2758 1 12 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.786 14.814 25753 2759 1 12 . 1 1 4 4 CYS H H 4 8.430 8.430 8.568 -0.138 25753 2760 1 12 . 1 1 5 5 LYS N N 5 118.500 118.500 117.817 0.683 25753 2761 1 12 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.575 0.927 25753 2762 1 12 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.221 -1.655 25753 2763 1 12 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.790 0.510 25753 2764 1 12 . 1 1 5 5 LYS H H 5 7.965 7.965 7.847 0.118 25753 2765 1 12 . 1 1 6 6 LYS N N 6 121.002 121.002 122.041 -1.039 25753 2766 1 12 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.508 0.205 25753 2767 1 12 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.249 -0.249 25753 2768 1 12 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.235 1.338 25753 2769 1 12 . 1 1 6 6 LYS H H 6 8.980 8.980 7.878 1.102 25753 2770 1 12 . 1 1 7 7 VAL N N 7 127.157 127.157 124.990 2.167 25753 2771 1 12 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.891 0.022 25753 2772 1 12 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.954 1.446 25753 2773 1 12 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.553 0.111 25753 2774 1 12 . 1 1 7 7 VAL H H 7 8.756 8.756 8.476 0.280 25753 2775 1 12 . 1 1 8 8 TYR N N 8 129.707 129.707 129.619 0.088 25753 2776 1 12 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.372 0.011 25753 2777 1 12 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.774 -3.624 25753 2778 1 12 . 1 1 8 8 TYR CB C 8 35.621 35.621 40.021 -4.400 25753 2779 1 12 . 1 1 8 8 TYR H H 8 9.160 9.160 8.154 1.006 25753 2780 1 12 . 1 1 9 9 GLU N N 9 130.601 130.601 123.030 7.571 25753 2781 1 12 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.092 0.028 25753 2782 1 12 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.723 -0.825 25753 2783 1 12 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.945 -0.931 25753 2784 1 12 . 1 1 9 9 GLU H H 9 8.964 8.964 8.804 0.160 25753 2785 1 12 . 1 1 10 10 ASN N N 10 115.766 115.766 114.421 1.345 25753 2786 1 12 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.822 -0.457 25753 2787 1 12 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.235 0.965 25753 2788 1 12 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.744 -1.784 25753 2789 1 12 . 1 1 10 10 ASN H H 10 9.232 9.232 8.308 0.924 25753 2790 1 12 . 1 1 11 11 TYR N N 11 122.267 122.267 123.654 -1.387 25753 2791 1 12 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.786 -0.651 25753 2792 1 12 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.219 1.728 25753 2793 1 12 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.658 -0.553 25753 2794 1 12 . 1 1 11 11 TYR H H 11 7.473 7.473 8.532 -1.059 25753 2795 1 12 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.542 -0.110 25753 2796 1 12 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.707 -0.860 25753 2797 1 12 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.840 -2.590 25753 2798 1 12 . 1 1 13 13 VAL N N 13 123.595 123.595 124.913 -1.318 25753 2799 1 12 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.703 0.051 25753 2800 1 12 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.247 0.253 25753 2801 1 12 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.754 -0.643 25753 2802 1 12 . 1 1 13 13 VAL H H 13 8.102 8.102 8.602 -0.500 25753 2803 1 12 . 1 1 14 14 SER N N 14 116.945 116.945 115.766 1.179 25753 2804 1 12 . 1 1 14 14 SER HA H 14 4.119 4.119 4.241 -0.122 25753 2805 1 12 . 1 1 14 14 SER CA C 14 61.050 61.050 61.275 -0.225 25753 2806 1 12 . 1 1 14 14 SER CB C 14 61.239 61.239 62.796 -1.557 25753 2807 1 12 . 1 1 14 14 SER H H 14 8.387 8.387 8.332 0.056 25753 2808 1 12 . 1 1 15 15 LYS N N 15 121.073 121.073 122.628 -1.555 25753 2809 1 12 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.210 -0.141 25753 2810 1 12 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.694 0.606 25753 2811 1 12 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.092 -0.857 25753 2812 1 12 . 1 1 15 15 LYS H H 15 7.821 7.821 7.829 -0.008 25753 2813 1 12 . 1 1 16 16 CYS N N 16 115.469 115.469 118.675 -3.206 25753 2814 1 12 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.287 0.449 25753 2815 1 12 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.115 -3.315 25753 2816 1 12 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.929 14.325 25753 2817 1 12 . 1 1 16 16 CYS H H 16 7.844 7.844 7.625 0.219 25753 2818 1 12 . 1 1 17 17 GLN N N 17 115.128 115.128 117.282 -2.154 25753 2819 1 12 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.036 0.177 25753 2820 1 12 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.648 -1.548 25753 2821 1 12 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.967 -0.367 25753 2822 1 12 . 1 1 17 17 GLN H H 17 7.381 7.381 7.536 -0.155 25753 2823 1 12 . 1 1 18 18 LEU N N 18 120.972 120.972 119.990 0.982 25753 2824 1 12 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.579 -0.073 25753 2825 1 12 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.186 0.114 25753 2826 1 12 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.252 -0.158 25753 2827 1 12 . 1 1 18 18 LEU H H 18 7.286 7.286 7.819 -0.533 25753 2828 1 12 . 1 1 19 19 ALA N N 19 127.694 127.694 128.873 -1.179 25753 2829 1 12 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.978 0.137 25753 2830 1 12 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.406 -1.806 25753 2831 1 12 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.465 -0.565 25753 2832 1 12 . 1 1 19 19 ALA H H 19 8.556 8.556 8.947 -0.391 25753 2833 1 12 . 1 1 20 20 ASN N N 20 116.006 116.006 113.888 2.118 25753 2834 1 12 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.464 0.164 25753 2835 1 12 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.734 -1.034 25753 2836 1 12 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.866 1.127 25753 2837 1 12 . 1 1 20 20 ASN H H 20 9.044 9.044 8.676 0.368 25753 2838 1 12 . 1 1 21 21 GLN N N 21 122.731 122.731 121.310 1.421 25753 2839 1 12 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.379 -0.548 25753 2840 1 12 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.072 0.128 25753 2841 1 12 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.978 0.112 25753 2842 1 12 . 1 1 21 21 GLN H H 21 7.662 7.662 8.016 -0.354 25753 2843 1 12 . 1 1 22 22 CYS N N 22 118.925 118.925 119.786 -0.861 25753 2844 1 12 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.135 0.128 25753 2845 1 12 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.627 -5.527 25753 2846 1 12 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.492 12.008 25753 2847 1 12 . 1 1 22 22 CYS H H 22 8.475 8.475 7.958 0.517 25753 2848 1 12 . 1 1 23 23 ASN N N 23 118.714 118.714 117.933 0.781 25753 2849 1 12 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.418 -0.612 25753 2850 1 12 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.259 0.141 25753 2851 1 12 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.529 0.502 25753 2852 1 12 . 1 1 23 23 ASN H H 23 7.972 7.972 8.089 -0.117 25753 2853 1 12 . 1 1 24 24 TYR N N 24 117.828 117.828 120.390 -2.562 25753 2854 1 12 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.128 -0.214 25753 2855 1 12 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.264 -0.064 25753 2856 1 12 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.389 -0.305 25753 2857 1 12 . 1 1 24 24 TYR H H 24 8.107 8.107 7.810 0.297 25753 2858 1 12 . 1 1 25 25 ASP N N 25 119.620 119.620 117.487 2.133 25753 2859 1 12 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.296 0.333 25753 2860 1 12 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.913 0.487 25753 2861 1 12 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.447 -1.147 25753 2862 1 12 . 1 1 25 25 ASP H H 25 9.064 9.064 8.589 0.475 25753 2863 1 12 . 1 1 26 26 CYS N N 26 120.031 120.031 120.437 -0.406 25753 2864 1 12 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.260 -0.155 25753 2865 1 12 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.430 -1.230 25753 2866 1 12 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.635 9.965 25753 2867 1 12 . 1 1 26 26 CYS H H 26 9.280 9.280 8.177 1.103 25753 2868 1 12 . 1 1 27 27 LYS N N 27 119.838 119.838 119.099 0.739 25753 2869 1 12 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.222 -0.118 25753 2870 1 12 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.068 1.232 25753 2871 1 12 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.016 0.184 25753 2872 1 12 . 1 1 27 27 LYS H H 27 7.646 7.646 8.506 -0.860 25753 2873 1 12 . 1 1 28 28 LEU N N 28 119.791 119.791 120.960 -1.169 25753 2874 1 12 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.339 -0.304 25753 2875 1 12 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.599 -0.399 25753 2876 1 12 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.740 -0.748 25753 2877 1 12 . 1 1 28 28 LEU H H 28 8.257 8.257 7.462 0.795 25753 2878 1 12 . 1 1 29 29 ASP N N 29 116.737 116.737 119.247 -2.510 25753 2879 1 12 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.662 -0.186 25753 2880 1 12 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.516 -0.918 25753 2881 1 12 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.639 -1.339 25753 2882 1 12 . 1 1 29 29 ASP H H 29 8.977 8.977 8.516 0.461 25753 2883 1 12 . 1 1 30 30 LYS N N 30 111.907 111.907 117.046 -5.139 25753 2884 1 12 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.230 0.251 25753 2885 1 12 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.545 -3.566 25753 2886 1 12 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.999 -1.515 25753 2887 1 12 . 1 1 30 30 LYS H H 30 6.618 6.618 7.743 -1.125 25753 2888 1 12 . 1 1 31 31 HIS N N 31 112.966 112.966 115.784 -2.818 25753 2889 1 12 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.277 0.265 25753 2890 1 12 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.705 -0.805 25753 2891 1 12 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.045 -2.578 25753 2892 1 12 . 1 1 31 31 HIS H H 31 7.013 7.013 7.983 -0.970 25753 2893 1 12 . 1 1 32 32 ALA N N 32 120.001 120.001 119.381 0.620 25753 2894 1 12 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.722 0.333 25753 2895 1 12 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.410 -1.010 25753 2896 1 12 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.779 -0.879 25753 2897 1 12 . 1 1 32 32 ALA H H 32 7.644 7.644 7.204 0.440 25753 2898 1 12 . 1 1 33 33 ARG N N 33 116.588 116.588 119.852 -3.264 25753 2899 1 12 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.935 0.202 25753 2900 1 12 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.651 -0.753 25753 2901 1 12 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.635 -0.248 25753 2902 1 12 . 1 1 33 33 ARG H H 33 8.254 8.254 8.273 -0.019 25753 2903 1 12 . 1 1 34 34 SER N N 34 109.178 109.178 109.485 -0.307 25753 2904 1 12 . 1 1 34 34 SER HA H 34 4.593 4.593 4.713 -0.120 25753 2905 1 12 . 1 1 34 34 SER CA C 34 57.500 57.500 57.337 0.163 25753 2906 1 12 . 1 1 34 34 SER CB C 34 64.825 64.825 66.898 -2.074 25753 2907 1 12 . 1 1 34 34 SER H H 34 7.989 7.989 7.781 0.208 25753 2908 1 12 . 1 1 35 35 GLY N N 35 107.345 107.345 106.918 0.427 25753 2909 1 12 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.768 0.932 25753 2910 1 12 . 1 1 35 35 GLY H H 35 8.633 8.633 8.805 -0.172 25753 2911 1 12 . 1 1 36 36 GLU N N 36 118.288 118.288 122.210 -3.922 25753 2912 1 12 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.901 -0.609 25753 2913 1 12 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.296 0.904 25753 2914 1 12 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.728 -2.064 25753 2915 1 12 . 1 1 36 36 GLU H H 36 8.236 8.236 8.825 -0.589 25753 2916 1 12 . 1 1 37 37 CYS N N 37 120.776 120.776 118.895 1.881 25753 2917 1 12 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.051 0.952 25753 2918 1 12 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.513 -2.313 25753 2919 1 12 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.581 17.119 25753 2920 1 12 . 1 1 37 37 CYS H H 37 8.856 8.856 8.646 0.210 25753 2921 1 12 . 1 1 38 38 PHE N N 38 121.520 121.520 121.729 -0.209 25753 2922 1 12 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.851 -0.164 25753 2923 1 12 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.729 0.771 25753 2924 1 12 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.467 0.546 25753 2925 1 12 . 1 1 38 38 PHE H H 38 9.082 9.082 8.978 0.104 25753 2926 1 12 . 1 1 39 39 TYR N N 39 122.581 122.581 122.063 0.518 25753 2927 1 12 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.714 -0.102 25753 2928 1 12 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.256 0.544 25753 2929 1 12 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.940 0.160 25753 2930 1 12 . 1 1 39 39 TYR H H 39 8.683 8.683 8.644 0.039 25753 2931 1 12 . 1 1 40 40 LYS N N 40 126.022 126.022 124.427 1.595 25753 2932 1 12 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.482 -0.163 25753 2933 1 12 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.847 -0.147 25753 2934 1 12 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.212 -1.412 25753 2935 1 12 . 1 1 40 40 LYS H H 40 8.319 8.319 8.546 -0.227 25753 2936 1 12 . 1 1 41 41 GLU N N 41 120.017 120.017 118.788 1.229 25753 2937 1 12 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.106 0.021 25753 2938 1 12 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.624 -0.824 25753 2939 1 12 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.053 0.010 25753 2940 1 12 . 1 1 41 41 GLU H H 41 8.657 8.657 8.527 0.130 25753 2941 1 12 . 1 1 42 42 LYS N N 42 116.887 116.887 121.463 -4.576 25753 2942 1 12 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.260 -0.468 25753 2943 1 12 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.106 -0.406 25753 2944 1 12 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.556 -1.756 25753 2945 1 12 . 1 1 42 42 LYS H H 42 8.468 8.468 8.315 0.153 25753 2946 1 12 . 1 1 43 43 ARG N N 43 115.559 115.559 116.639 -1.080 25753 2947 1 12 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.438 -0.212 25753 2948 1 12 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.937 0.063 25753 2949 1 12 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.866 -1.065 25753 2950 1 12 . 1 1 43 43 ARG H H 43 8.165 8.165 7.983 0.182 25753 2951 1 12 . 1 1 44 44 ASN N N 44 117.868 117.868 119.377 -1.509 25753 2952 1 12 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.664 0.217 25753 2953 1 12 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.771 -1.371 25753 2954 1 12 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.073 0.127 25753 2955 1 12 . 1 1 44 44 ASN H H 44 7.983 7.983 7.832 0.151 25753 2956 1 12 . 1 1 45 45 LEU N N 45 125.712 125.712 120.905 4.807 25753 2957 1 12 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.586 -0.280 25753 2958 1 12 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.868 1.232 25753 2959 1 12 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.978 -2.911 25753 2960 1 12 . 1 1 45 45 LEU H H 45 8.193 8.193 8.359 -0.166 25753 2961 1 12 . 1 1 46 46 GLN N N 46 120.613 120.613 119.267 1.346 25753 2962 1 12 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.688 -0.023 25753 2963 1 12 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.486 0.513 25753 2964 1 12 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.802 -0.841 25753 2965 1 12 . 1 1 46 46 GLN H H 46 8.425 8.425 8.918 -0.493 25753 2966 1 12 . 1 1 47 47 CYS N N 47 122.193 122.193 120.866 1.327 25753 2967 1 12 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.903 -0.100 25753 2968 1 12 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.675 -3.975 25753 2969 1 12 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.154 9.846 25753 2970 1 12 . 1 1 47 47 CYS H H 47 9.198 9.198 8.906 0.292 25753 2971 1 12 . 1 1 48 48 ILE N N 48 129.093 129.093 124.942 4.151 25753 2972 1 12 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.708 -0.408 25753 2973 1 12 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.558 0.642 25753 2974 1 12 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.856 -2.756 25753 2975 1 12 . 1 1 48 48 ILE H H 48 8.696 8.696 8.581 0.115 25753 2976 1 12 . 1 1 49 49 CYS N N 49 126.279 126.279 124.280 1.999 25753 2977 1 12 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.458 0.809 25753 2978 1 12 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.219 -7.832 25753 2979 1 12 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.370 6.177 25753 2980 1 12 . 1 1 49 49 CYS H H 49 8.555 8.555 8.946 -0.391 25753 2981 1 12 . 1 1 50 50 ASP N N 50 122.491 122.491 118.819 3.672 25753 2982 1 12 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.910 0.553 25753 2983 1 12 . 1 1 50 50 ASP CA C 50 52.100 52.100 54.192 -2.092 25753 2984 1 12 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.706 -1.660 25753 2985 1 12 . 1 1 50 50 ASP H H 50 8.813 8.813 8.662 0.151 25753 2986 1 12 . 1 1 51 51 TYR N N 51 124.921 124.921 120.771 4.150 25753 2987 1 12 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.679 -0.479 25753 2988 1 12 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.737 1.363 25753 2989 1 12 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.333 -0.833 25753 2990 1 12 . 1 1 51 51 TYR H H 51 9.633 9.633 8.656 0.977 25753 2991 1 12 . 1 1 52 52 CYS N N 52 120.435 120.435 113.220 7.215 25753 2992 1 12 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.665 -0.251 25753 2993 1 12 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.040 -3.240 25753 2994 1 12 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.531 13.469 25753 2995 1 12 . 1 1 52 52 CYS H H 52 9.550 9.550 7.714 1.836 25753 2996 1 12 . 1 1 53 53 GLU N N 53 120.972 120.972 120.376 0.596 25753 2997 1 12 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.465 -0.218 25753 2998 1 12 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.252 -0.952 25753 2999 1 12 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.148 0.925 25753 3000 1 12 . 1 1 53 53 GLU H H 53 8.335 8.335 8.122 0.213 25753 3001 1 13 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.366 -0.096 25753 3002 1 13 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.504 0.707 25753 3003 1 13 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.460 -1.138 25753 3004 1 13 . 1 1 3 3 LYS H H 3 8.214 8.214 7.769 0.445 25753 3005 1 13 . 1 1 4 4 CYS N N 4 116.570 116.570 121.426 -4.856 25753 3006 1 13 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.361 0.333 25753 3007 1 13 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.976 -3.204 25753 3008 1 13 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.830 13.770 25753 3009 1 13 . 1 1 4 4 CYS H H 4 8.430 8.430 8.733 -0.303 25753 3010 1 13 . 1 1 5 5 LYS N N 5 118.500 118.500 118.175 0.325 25753 3011 1 13 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.568 0.934 25753 3012 1 13 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.465 -1.899 25753 3013 1 13 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.882 0.418 25753 3014 1 13 . 1 1 5 5 LYS H H 5 7.965 7.965 7.886 0.079 25753 3015 1 13 . 1 1 6 6 LYS N N 6 121.002 121.002 123.495 -2.493 25753 3016 1 13 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.464 0.249 25753 3017 1 13 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.205 -0.205 25753 3018 1 13 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.235 1.338 25753 3019 1 13 . 1 1 6 6 LYS H H 6 8.980 8.980 8.017 0.963 25753 3020 1 13 . 1 1 7 7 VAL N N 7 127.157 127.157 124.358 2.799 25753 3021 1 13 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.917 -0.004 25753 3022 1 13 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.894 1.506 25753 3023 1 13 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.568 0.096 25753 3024 1 13 . 1 1 7 7 VAL H H 7 8.756 8.756 8.499 0.257 25753 3025 1 13 . 1 1 8 8 TYR N N 8 129.707 129.707 129.333 0.374 25753 3026 1 13 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.313 0.070 25753 3027 1 13 . 1 1 8 8 TYR CA C 8 55.150 55.150 59.035 -3.885 25753 3028 1 13 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.995 -4.374 25753 3029 1 13 . 1 1 8 8 TYR H H 8 9.160 9.160 8.089 1.071 25753 3030 1 13 . 1 1 9 9 GLU N N 9 130.601 130.601 122.949 7.652 25753 3031 1 13 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.050 0.070 25753 3032 1 13 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.665 -0.767 25753 3033 1 13 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.030 -1.018 25753 3034 1 13 . 1 1 9 9 GLU H H 9 8.964 8.964 8.774 0.190 25753 3035 1 13 . 1 1 10 10 ASN N N 10 115.766 115.766 114.397 1.369 25753 3036 1 13 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.809 -0.444 25753 3037 1 13 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.384 0.816 25753 3038 1 13 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.938 -1.978 25753 3039 1 13 . 1 1 10 10 ASN H H 10 9.232 9.232 8.246 0.986 25753 3040 1 13 . 1 1 11 11 TYR N N 11 122.267 122.267 122.422 -0.155 25753 3041 1 13 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.620 -0.485 25753 3042 1 13 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.931 2.017 25753 3043 1 13 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.477 -1.373 25753 3044 1 13 . 1 1 11 11 TYR H H 11 7.473 7.473 8.453 -0.980 25753 3045 1 13 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.592 -0.160 25753 3046 1 13 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.802 -0.955 25753 3047 1 13 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.411 -2.161 25753 3048 1 13 . 1 1 13 13 VAL N N 13 123.595 123.595 121.739 1.856 25753 3049 1 13 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.762 -0.008 25753 3050 1 13 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.144 0.356 25753 3051 1 13 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.556 -0.445 25753 3052 1 13 . 1 1 13 13 VAL H H 13 8.102 8.102 8.268 -0.166 25753 3053 1 13 . 1 1 14 14 SER N N 14 116.945 116.945 115.864 1.081 25753 3054 1 13 . 1 1 14 14 SER HA H 14 4.119 4.119 4.174 -0.055 25753 3055 1 13 . 1 1 14 14 SER CA C 14 61.050 61.050 61.081 -0.031 25753 3056 1 13 . 1 1 14 14 SER CB C 14 61.239 61.239 62.561 -1.322 25753 3057 1 13 . 1 1 14 14 SER H H 14 8.387 8.387 8.519 -0.132 25753 3058 1 13 . 1 1 15 15 LYS N N 15 121.073 121.073 120.820 0.253 25753 3059 1 13 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.292 -0.223 25753 3060 1 13 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.831 0.469 25753 3061 1 13 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.792 -1.558 25753 3062 1 13 . 1 1 15 15 LYS H H 15 7.821 7.821 7.504 0.317 25753 3063 1 13 . 1 1 16 16 CYS N N 16 115.469 115.469 119.898 -4.429 25753 3064 1 13 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.271 0.465 25753 3065 1 13 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.534 -3.734 25753 3066 1 13 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.825 14.429 25753 3067 1 13 . 1 1 16 16 CYS H H 16 7.844 7.844 7.648 0.196 25753 3068 1 13 . 1 1 17 17 GLN N N 17 115.128 115.128 117.129 -2.001 25753 3069 1 13 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.028 0.185 25753 3070 1 13 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.776 -1.676 25753 3071 1 13 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.989 -0.389 25753 3072 1 13 . 1 1 17 17 GLN H H 17 7.381 7.381 7.660 -0.279 25753 3073 1 13 . 1 1 18 18 LEU N N 18 120.972 120.972 119.875 1.097 25753 3074 1 13 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.581 -0.075 25753 3075 1 13 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.206 0.094 25753 3076 1 13 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.272 -0.177 25753 3077 1 13 . 1 1 18 18 LEU H H 18 7.286 7.286 7.878 -0.592 25753 3078 1 13 . 1 1 19 19 ALA N N 19 127.694 127.694 129.100 -1.406 25753 3079 1 13 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.980 0.135 25753 3080 1 13 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.507 -1.907 25753 3081 1 13 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.442 -0.542 25753 3082 1 13 . 1 1 19 19 ALA H H 19 8.556 8.556 8.953 -0.397 25753 3083 1 13 . 1 1 20 20 ASN N N 20 116.006 116.006 114.602 1.404 25753 3084 1 13 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.518 0.110 25753 3085 1 13 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.847 -1.147 25753 3086 1 13 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.732 1.261 25753 3087 1 13 . 1 1 20 20 ASN H H 20 9.044 9.044 8.769 0.275 25753 3088 1 13 . 1 1 21 21 GLN N N 21 122.731 122.731 121.158 1.573 25753 3089 1 13 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.364 -0.533 25753 3090 1 13 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.975 0.225 25753 3091 1 13 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.966 0.124 25753 3092 1 13 . 1 1 21 21 GLN H H 21 7.662 7.662 7.837 -0.175 25753 3093 1 13 . 1 1 22 22 CYS N N 22 118.925 118.925 119.844 -0.919 25753 3094 1 13 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.054 0.209 25753 3095 1 13 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.797 -5.697 25753 3096 1 13 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.436 12.064 25753 3097 1 13 . 1 1 22 22 CYS H H 22 8.475 8.475 7.958 0.517 25753 3098 1 13 . 1 1 23 23 ASN N N 23 118.714 118.714 118.136 0.578 25753 3099 1 13 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.419 -0.613 25753 3100 1 13 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.090 0.310 25753 3101 1 13 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.439 0.592 25753 3102 1 13 . 1 1 23 23 ASN H H 23 7.972 7.972 8.134 -0.162 25753 3103 1 13 . 1 1 24 24 TYR N N 24 117.828 117.828 119.953 -2.125 25753 3104 1 13 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.120 -0.206 25753 3105 1 13 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.409 -0.209 25753 3106 1 13 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.353 -0.270 25753 3107 1 13 . 1 1 24 24 TYR H H 24 8.107 8.107 7.786 0.321 25753 3108 1 13 . 1 1 25 25 ASP N N 25 119.620 119.620 117.053 2.567 25753 3109 1 13 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.232 0.397 25753 3110 1 13 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.221 0.179 25753 3111 1 13 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.927 -1.627 25753 3112 1 13 . 1 1 25 25 ASP H H 25 9.064 9.064 8.291 0.773 25753 3113 1 13 . 1 1 26 26 CYS N N 26 120.031 120.031 120.550 -0.519 25753 3114 1 13 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.138 -0.033 25753 3115 1 13 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.634 -1.434 25753 3116 1 13 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.357 10.243 25753 3117 1 13 . 1 1 26 26 CYS H H 26 9.280 9.280 8.316 0.964 25753 3118 1 13 . 1 1 27 27 LYS N N 27 119.838 119.838 119.031 0.807 25753 3119 1 13 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.222 -0.118 25753 3120 1 13 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.946 1.354 25753 3121 1 13 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.928 0.272 25753 3122 1 13 . 1 1 27 27 LYS H H 27 7.646 7.646 8.445 -0.799 25753 3123 1 13 . 1 1 28 28 LEU N N 28 119.791 119.791 120.992 -1.201 25753 3124 1 13 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.140 -0.105 25753 3125 1 13 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.511 -0.311 25753 3126 1 13 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.879 -0.887 25753 3127 1 13 . 1 1 28 28 LEU H H 28 8.257 8.257 7.732 0.525 25753 3128 1 13 . 1 1 29 29 ASP N N 29 116.737 116.737 117.771 -1.034 25753 3129 1 13 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.393 0.083 25753 3130 1 13 . 1 1 29 29 ASP CA C 29 55.597 55.597 57.256 -1.659 25753 3131 1 13 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.603 -1.303 25753 3132 1 13 . 1 1 29 29 ASP H H 29 8.977 8.977 8.480 0.497 25753 3133 1 13 . 1 1 30 30 LYS N N 30 111.907 111.907 116.693 -4.786 25753 3134 1 13 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.138 0.343 25753 3135 1 13 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.404 -3.425 25753 3136 1 13 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.471 -0.987 25753 3137 1 13 . 1 1 30 30 LYS H H 30 6.618 6.618 7.573 -0.955 25753 3138 1 13 . 1 1 31 31 HIS N N 31 112.966 112.966 113.806 -0.840 25753 3139 1 13 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.292 0.250 25753 3140 1 13 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.567 -0.667 25753 3141 1 13 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.050 -1.583 25753 3142 1 13 . 1 1 31 31 HIS H H 31 7.013 7.013 7.635 -0.622 25753 3143 1 13 . 1 1 32 32 ALA N N 32 120.001 120.001 119.942 0.059 25753 3144 1 13 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.734 0.321 25753 3145 1 13 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.245 -0.845 25753 3146 1 13 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.915 -1.015 25753 3147 1 13 . 1 1 32 32 ALA H H 32 7.644 7.644 7.188 0.456 25753 3148 1 13 . 1 1 33 33 ARG N N 33 116.588 116.588 119.858 -3.270 25753 3149 1 13 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.013 0.124 25753 3150 1 13 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.697 -0.799 25753 3151 1 13 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.707 -0.320 25753 3152 1 13 . 1 1 33 33 ARG H H 33 8.254 8.254 8.349 -0.095 25753 3153 1 13 . 1 1 34 34 SER N N 34 109.178 109.178 109.212 -0.034 25753 3154 1 13 . 1 1 34 34 SER HA H 34 4.593 4.593 5.059 -0.466 25753 3155 1 13 . 1 1 34 34 SER CA C 34 57.500 57.500 57.234 0.266 25753 3156 1 13 . 1 1 34 34 SER CB C 34 64.825 64.825 66.884 -2.059 25753 3157 1 13 . 1 1 34 34 SER H H 34 7.989 7.989 7.803 0.186 25753 3158 1 13 . 1 1 35 35 GLY N N 35 107.345 107.345 106.884 0.461 25753 3159 1 13 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.865 0.835 25753 3160 1 13 . 1 1 35 35 GLY H H 35 8.633 8.633 8.412 0.221 25753 3161 1 13 . 1 1 36 36 GLU N N 36 118.288 118.288 121.240 -2.952 25753 3162 1 13 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.834 -0.542 25753 3163 1 13 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.922 0.278 25753 3164 1 13 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.486 -1.822 25753 3165 1 13 . 1 1 36 36 GLU H H 36 8.236 8.236 8.595 -0.359 25753 3166 1 13 . 1 1 37 37 CYS N N 37 120.776 120.776 118.330 2.446 25753 3167 1 13 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.979 1.024 25753 3168 1 13 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.411 -2.211 25753 3169 1 13 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.575 17.125 25753 3170 1 13 . 1 1 37 37 CYS H H 37 8.856 8.856 8.460 0.396 25753 3171 1 13 . 1 1 38 38 PHE N N 38 121.520 121.520 121.820 -0.300 25753 3172 1 13 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.837 -0.150 25753 3173 1 13 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.957 0.543 25753 3174 1 13 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.536 -0.523 25753 3175 1 13 . 1 1 38 38 PHE H H 38 9.082 9.082 9.278 -0.196 25753 3176 1 13 . 1 1 39 39 TYR N N 39 122.581 122.581 123.216 -0.635 25753 3177 1 13 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.709 -0.097 25753 3178 1 13 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.546 0.254 25753 3179 1 13 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.162 -0.062 25753 3180 1 13 . 1 1 39 39 TYR H H 39 8.683 8.683 8.603 0.080 25753 3181 1 13 . 1 1 40 40 LYS N N 40 126.022 126.022 125.045 0.977 25753 3182 1 13 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.701 -0.382 25753 3183 1 13 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.859 0.841 25753 3184 1 13 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.524 -1.724 25753 3185 1 13 . 1 1 40 40 LYS H H 40 8.319 8.319 8.411 -0.092 25753 3186 1 13 . 1 1 41 41 GLU N N 41 120.017 120.017 118.686 1.331 25753 3187 1 13 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.076 0.051 25753 3188 1 13 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.972 -1.172 25753 3189 1 13 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.978 -0.915 25753 3190 1 13 . 1 1 41 41 GLU H H 41 8.657 8.657 8.524 0.133 25753 3191 1 13 . 1 1 42 42 LYS N N 42 116.887 116.887 120.254 -3.367 25753 3192 1 13 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.182 -0.390 25753 3193 1 13 . 1 1 42 42 LYS CA C 42 57.700 57.700 57.968 -0.268 25753 3194 1 13 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.585 -1.785 25753 3195 1 13 . 1 1 42 42 LYS H H 42 8.468 8.468 8.401 0.067 25753 3196 1 13 . 1 1 43 43 ARG N N 43 115.559 115.559 114.871 0.688 25753 3197 1 13 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.609 -0.383 25753 3198 1 13 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.647 0.353 25753 3199 1 13 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.629 -1.829 25753 3200 1 13 . 1 1 43 43 ARG H H 43 8.165 8.165 8.010 0.155 25753 3201 1 13 . 1 1 44 44 ASN N N 44 117.868 117.868 118.939 -1.071 25753 3202 1 13 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.619 0.262 25753 3203 1 13 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.084 -1.684 25753 3204 1 13 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.278 -0.078 25753 3205 1 13 . 1 1 44 44 ASN H H 44 7.983 7.983 7.895 0.088 25753 3206 1 13 . 1 1 45 45 LEU N N 45 125.712 125.712 120.329 5.383 25753 3207 1 13 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.584 -0.278 25753 3208 1 13 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.708 1.392 25753 3209 1 13 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.898 -2.830 25753 3210 1 13 . 1 1 45 45 LEU H H 45 8.193 8.193 8.338 -0.145 25753 3211 1 13 . 1 1 46 46 GLN N N 46 120.613 120.613 119.489 1.124 25753 3212 1 13 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.660 0.005 25753 3213 1 13 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.125 -0.125 25753 3214 1 13 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.858 -0.897 25753 3215 1 13 . 1 1 46 46 GLN H H 46 8.425 8.425 8.850 -0.425 25753 3216 1 13 . 1 1 47 47 CYS N N 47 122.193 122.193 121.773 0.420 25753 3217 1 13 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.920 -0.117 25753 3218 1 13 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.587 -3.886 25753 3219 1 13 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.575 10.425 25753 3220 1 13 . 1 1 47 47 CYS H H 47 9.198 9.198 8.948 0.250 25753 3221 1 13 . 1 1 48 48 ILE N N 48 129.093 129.093 125.611 3.482 25753 3222 1 13 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.646 -0.346 25753 3223 1 13 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.932 0.268 25753 3224 1 13 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.409 -2.309 25753 3225 1 13 . 1 1 48 48 ILE H H 48 8.696 8.696 8.740 -0.044 25753 3226 1 13 . 1 1 49 49 CYS N N 49 126.279 126.279 124.169 2.110 25753 3227 1 13 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.505 0.762 25753 3228 1 13 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.149 -7.762 25753 3229 1 13 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.621 5.926 25753 3230 1 13 . 1 1 49 49 CYS H H 49 8.555 8.555 8.952 -0.397 25753 3231 1 13 . 1 1 50 50 ASP N N 50 122.491 122.491 118.141 4.350 25753 3232 1 13 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.927 0.536 25753 3233 1 13 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.902 -1.802 25753 3234 1 13 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.081 -1.035 25753 3235 1 13 . 1 1 50 50 ASP H H 50 8.813 8.813 8.618 0.195 25753 3236 1 13 . 1 1 51 51 TYR N N 51 124.921 124.921 122.551 2.370 25753 3237 1 13 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.764 -0.564 25753 3238 1 13 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.105 1.995 25753 3239 1 13 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.129 -0.629 25753 3240 1 13 . 1 1 51 51 TYR H H 51 9.633 9.633 8.057 1.576 25753 3241 1 13 . 1 1 52 52 CYS N N 52 120.435 120.435 114.546 5.889 25753 3242 1 13 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.743 -0.329 25753 3243 1 13 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.922 -3.122 25753 3244 1 13 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.167 14.833 25753 3245 1 13 . 1 1 52 52 CYS H H 52 9.550 9.550 7.731 1.819 25753 3246 1 13 . 1 1 53 53 GLU N N 53 120.972 120.972 119.559 1.413 25753 3247 1 13 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.670 -0.423 25753 3248 1 13 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.808 -0.508 25753 3249 1 13 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.766 -0.693 25753 3250 1 13 . 1 1 53 53 GLU H H 53 8.335 8.335 8.221 0.114 25753 3251 1 14 . 1 1 3 3 LYS HA H 3 4.270 4.270 3.938 0.332 25753 3252 1 14 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.379 -0.168 25753 3253 1 14 . 1 1 3 3 LYS CB C 3 32.322 32.322 29.910 2.412 25753 3254 1 14 . 1 1 3 3 LYS H H 3 8.214 8.214 8.327 -0.113 25753 3255 1 14 . 1 1 4 4 CYS N N 4 116.570 116.570 116.434 0.136 25753 3256 1 14 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.293 0.401 25753 3257 1 14 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.905 -3.133 25753 3258 1 14 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.984 14.616 25753 3259 1 14 . 1 1 4 4 CYS H H 4 8.430 8.430 8.387 0.043 25753 3260 1 14 . 1 1 5 5 LYS N N 5 118.500 118.500 118.658 -0.158 25753 3261 1 14 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.493 1.009 25753 3262 1 14 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.103 -1.537 25753 3263 1 14 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.515 0.785 25753 3264 1 14 . 1 1 5 5 LYS H H 5 7.965 7.965 7.729 0.236 25753 3265 1 14 . 1 1 6 6 LYS N N 6 121.002 121.002 123.002 -2.000 25753 3266 1 14 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.512 0.201 25753 3267 1 14 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.232 -0.232 25753 3268 1 14 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.841 0.732 25753 3269 1 14 . 1 1 6 6 LYS H H 6 8.980 8.980 8.056 0.924 25753 3270 1 14 . 1 1 7 7 VAL N N 7 127.157 127.157 123.838 3.319 25753 3271 1 14 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.874 0.039 25753 3272 1 14 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.785 0.615 25753 3273 1 14 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.883 -0.219 25753 3274 1 14 . 1 1 7 7 VAL H H 7 8.756 8.756 8.474 0.282 25753 3275 1 14 . 1 1 8 8 TYR N N 8 129.707 129.707 129.241 0.466 25753 3276 1 14 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.343 0.040 25753 3277 1 14 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.788 -3.638 25753 3278 1 14 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.761 -4.140 25753 3279 1 14 . 1 1 8 8 TYR H H 8 9.160 9.160 8.176 0.984 25753 3280 1 14 . 1 1 9 9 GLU N N 9 130.601 130.601 123.051 7.550 25753 3281 1 14 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.065 0.055 25753 3282 1 14 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.720 -0.822 25753 3283 1 14 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.070 -1.058 25753 3284 1 14 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753 3285 1 14 . 1 1 10 10 ASN N N 10 115.766 115.766 113.808 1.958 25753 3286 1 14 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.817 -0.452 25753 3287 1 14 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.395 0.805 25753 3288 1 14 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.397 -1.437 25753 3289 1 14 . 1 1 10 10 ASN H H 10 9.232 9.232 8.253 0.979 25753 3290 1 14 . 1 1 11 11 TYR N N 11 122.267 122.267 121.990 0.277 25753 3291 1 14 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.754 -0.619 25753 3292 1 14 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.872 2.075 25753 3293 1 14 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.757 -0.652 25753 3294 1 14 . 1 1 11 11 TYR H H 11 7.473 7.473 8.236 -0.763 25753 3295 1 14 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.542 -0.110 25753 3296 1 14 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.831 -0.984 25753 3297 1 14 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.512 -2.262 25753 3298 1 14 . 1 1 13 13 VAL N N 13 123.595 123.595 125.270 -1.675 25753 3299 1 14 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.691 0.063 25753 3300 1 14 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.157 1.343 25753 3301 1 14 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.727 -0.616 25753 3302 1 14 . 1 1 13 13 VAL H H 13 8.102 8.102 8.551 -0.449 25753 3303 1 14 . 1 1 14 14 SER N N 14 116.945 116.945 114.727 2.218 25753 3304 1 14 . 1 1 14 14 SER HA H 14 4.119 4.119 4.273 -0.154 25753 3305 1 14 . 1 1 14 14 SER CA C 14 61.050 61.050 61.623 -0.573 25753 3306 1 14 . 1 1 14 14 SER CB C 14 61.239 61.239 62.809 -1.570 25753 3307 1 14 . 1 1 14 14 SER H H 14 8.387 8.387 8.399 -0.012 25753 3308 1 14 . 1 1 15 15 LYS N N 15 121.073 121.073 122.366 -1.293 25753 3309 1 14 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.185 -0.116 25753 3310 1 14 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.762 0.538 25753 3311 1 14 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.142 -0.907 25753 3312 1 14 . 1 1 15 15 LYS H H 15 7.821 7.821 7.717 0.104 25753 3313 1 14 . 1 1 16 16 CYS N N 16 115.469 115.469 118.680 -3.211 25753 3314 1 14 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.268 0.468 25753 3315 1 14 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.151 -3.351 25753 3316 1 14 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.921 14.333 25753 3317 1 14 . 1 1 16 16 CYS H H 16 7.844 7.844 7.654 0.190 25753 3318 1 14 . 1 1 17 17 GLN N N 17 115.128 115.128 117.255 -2.127 25753 3319 1 14 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.045 0.168 25753 3320 1 14 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.610 -1.510 25753 3321 1 14 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.961 -0.361 25753 3322 1 14 . 1 1 17 17 GLN H H 17 7.381 7.381 7.597 -0.216 25753 3323 1 14 . 1 1 18 18 LEU N N 18 120.972 120.972 119.879 1.093 25753 3324 1 14 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.587 -0.081 25753 3325 1 14 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.190 0.110 25753 3326 1 14 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.361 -0.267 25753 3327 1 14 . 1 1 18 18 LEU H H 18 7.286 7.286 7.886 -0.600 25753 3328 1 14 . 1 1 19 19 ALA N N 19 127.694 127.694 129.067 -1.373 25753 3329 1 14 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.983 0.132 25753 3330 1 14 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.514 -1.914 25753 3331 1 14 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.424 -0.524 25753 3332 1 14 . 1 1 19 19 ALA H H 19 8.556 8.556 8.958 -0.402 25753 3333 1 14 . 1 1 20 20 ASN N N 20 116.006 116.006 114.673 1.333 25753 3334 1 14 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.508 0.120 25753 3335 1 14 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.897 -1.197 25753 3336 1 14 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.734 1.259 25753 3337 1 14 . 1 1 20 20 ASN H H 20 9.044 9.044 8.769 0.275 25753 3338 1 14 . 1 1 21 21 GLN N N 21 122.731 122.731 121.110 1.621 25753 3339 1 14 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.367 -0.536 25753 3340 1 14 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.005 0.195 25753 3341 1 14 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.989 0.101 25753 3342 1 14 . 1 1 21 21 GLN H H 21 7.662 7.662 7.870 -0.208 25753 3343 1 14 . 1 1 22 22 CYS N N 22 118.925 118.925 119.955 -1.030 25753 3344 1 14 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.136 0.127 25753 3345 1 14 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.822 -5.722 25753 3346 1 14 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.445 12.056 25753 3347 1 14 . 1 1 22 22 CYS H H 22 8.475 8.475 7.947 0.528 25753 3348 1 14 . 1 1 23 23 ASN N N 23 118.714 118.714 118.031 0.683 25753 3349 1 14 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.426 -0.620 25753 3350 1 14 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.147 0.253 25753 3351 1 14 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.477 0.554 25753 3352 1 14 . 1 1 23 23 ASN H H 23 7.972 7.972 8.205 -0.233 25753 3353 1 14 . 1 1 24 24 TYR N N 24 117.828 117.828 120.064 -2.236 25753 3354 1 14 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.117 -0.203 25753 3355 1 14 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.420 -0.220 25753 3356 1 14 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.379 -0.296 25753 3357 1 14 . 1 1 24 24 TYR H H 24 8.107 8.107 7.769 0.338 25753 3358 1 14 . 1 1 25 25 ASP N N 25 119.620 119.620 117.120 2.500 25753 3359 1 14 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.344 0.285 25753 3360 1 14 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.645 0.755 25753 3361 1 14 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.901 -1.601 25753 3362 1 14 . 1 1 25 25 ASP H H 25 9.064 9.064 8.388 0.676 25753 3363 1 14 . 1 1 26 26 CYS N N 26 120.031 120.031 120.453 -0.422 25753 3364 1 14 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.192 -0.087 25753 3365 1 14 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.618 -1.418 25753 3366 1 14 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.513 10.087 25753 3367 1 14 . 1 1 26 26 CYS H H 26 9.280 9.280 8.328 0.952 25753 3368 1 14 . 1 1 27 27 LYS N N 27 119.838 119.838 119.014 0.824 25753 3369 1 14 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.228 -0.124 25753 3370 1 14 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.045 1.255 25753 3371 1 14 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.060 0.140 25753 3372 1 14 . 1 1 27 27 LYS H H 27 7.646 7.646 8.446 -0.800 25753 3373 1 14 . 1 1 28 28 LEU N N 28 119.791 119.791 120.994 -1.203 25753 3374 1 14 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.052 -0.017 25753 3375 1 14 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.494 -0.294 25753 3376 1 14 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.890 -0.898 25753 3377 1 14 . 1 1 28 28 LEU H H 28 8.257 8.257 7.730 0.527 25753 3378 1 14 . 1 1 29 29 ASP N N 29 116.737 116.737 118.983 -2.246 25753 3379 1 14 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.435 0.041 25753 3380 1 14 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.479 -0.882 25753 3381 1 14 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.650 -1.350 25753 3382 1 14 . 1 1 29 29 ASP H H 29 8.977 8.977 8.542 0.435 25753 3383 1 14 . 1 1 30 30 LYS N N 30 111.907 111.907 116.368 -4.461 25753 3384 1 14 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.288 0.193 25753 3385 1 14 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.391 -3.412 25753 3386 1 14 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.910 -1.426 25753 3387 1 14 . 1 1 30 30 LYS H H 30 6.618 6.618 7.630 -1.012 25753 3388 1 14 . 1 1 31 31 HIS N N 31 112.966 112.966 113.526 -0.560 25753 3389 1 14 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.308 0.234 25753 3390 1 14 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.964 -1.064 25753 3391 1 14 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.680 -1.213 25753 3392 1 14 . 1 1 31 31 HIS H H 31 7.013 7.013 7.639 -0.626 25753 3393 1 14 . 1 1 32 32 ALA N N 32 120.001 120.001 120.614 -0.613 25753 3394 1 14 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.906 0.149 25753 3395 1 14 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.494 -1.094 25753 3396 1 14 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.982 -1.082 25753 3397 1 14 . 1 1 32 32 ALA H H 32 7.644 7.644 7.282 0.362 25753 3398 1 14 . 1 1 33 33 ARG N N 33 116.588 116.588 120.388 -3.800 25753 3399 1 14 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.028 0.109 25753 3400 1 14 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.777 -0.879 25753 3401 1 14 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.659 -0.272 25753 3402 1 14 . 1 1 33 33 ARG H H 33 8.254 8.254 8.301 -0.047 25753 3403 1 14 . 1 1 34 34 SER N N 34 109.178 109.178 109.713 -0.535 25753 3404 1 14 . 1 1 34 34 SER HA H 34 4.593 4.593 5.056 -0.463 25753 3405 1 14 . 1 1 34 34 SER CA C 34 57.500 57.500 57.144 0.356 25753 3406 1 14 . 1 1 34 34 SER CB C 34 64.825 64.825 67.288 -2.463 25753 3407 1 14 . 1 1 34 34 SER H H 34 7.989 7.989 7.558 0.431 25753 3408 1 14 . 1 1 35 35 GLY N N 35 107.345 107.345 106.948 0.397 25753 3409 1 14 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.890 0.810 25753 3410 1 14 . 1 1 35 35 GLY H H 35 8.633 8.633 8.514 0.119 25753 3411 1 14 . 1 1 36 36 GLU N N 36 118.288 118.288 122.399 -4.111 25753 3412 1 14 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.811 -0.519 25753 3413 1 14 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.567 0.633 25753 3414 1 14 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.492 -1.828 25753 3415 1 14 . 1 1 36 36 GLU H H 36 8.236 8.236 8.687 -0.451 25753 3416 1 14 . 1 1 37 37 CYS N N 37 120.776 120.776 118.903 1.873 25753 3417 1 14 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.121 0.882 25753 3418 1 14 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.462 -2.262 25753 3419 1 14 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.628 17.072 25753 3420 1 14 . 1 1 37 37 CYS H H 37 8.856 8.856 8.648 0.208 25753 3421 1 14 . 1 1 38 38 PHE N N 38 121.520 121.520 121.873 -0.353 25753 3422 1 14 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.859 -0.172 25753 3423 1 14 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.675 0.825 25753 3424 1 14 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.540 0.473 25753 3425 1 14 . 1 1 38 38 PHE H H 38 9.082 9.082 9.192 -0.110 25753 3426 1 14 . 1 1 39 39 TYR N N 39 122.581 122.581 122.333 0.248 25753 3427 1 14 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 3428 1 14 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.236 0.564 25753 3429 1 14 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.945 0.155 25753 3430 1 14 . 1 1 39 39 TYR H H 39 8.683 8.683 8.594 0.089 25753 3431 1 14 . 1 1 40 40 LYS N N 40 126.022 126.022 125.393 0.629 25753 3432 1 14 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.574 -0.255 25753 3433 1 14 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.142 0.558 25753 3434 1 14 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.150 -1.350 25753 3435 1 14 . 1 1 40 40 LYS H H 40 8.319 8.319 8.444 -0.125 25753 3436 1 14 . 1 1 41 41 GLU N N 41 120.017 120.017 117.888 2.129 25753 3437 1 14 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.101 0.026 25753 3438 1 14 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.017 -1.217 25753 3439 1 14 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.974 0.089 25753 3440 1 14 . 1 1 41 41 GLU H H 41 8.657 8.657 8.556 0.101 25753 3441 1 14 . 1 1 42 42 LYS N N 42 116.887 116.887 121.201 -4.314 25753 3442 1 14 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.257 -0.465 25753 3443 1 14 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.005 -0.305 25753 3444 1 14 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.524 -1.724 25753 3445 1 14 . 1 1 42 42 LYS H H 42 8.468 8.468 8.310 0.158 25753 3446 1 14 . 1 1 43 43 ARG N N 43 115.559 115.559 116.861 -1.302 25753 3447 1 14 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.483 -0.257 25753 3448 1 14 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.901 0.099 25753 3449 1 14 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.650 -0.850 25753 3450 1 14 . 1 1 43 43 ARG H H 43 8.165 8.165 8.110 0.055 25753 3451 1 14 . 1 1 44 44 ASN N N 44 117.868 117.868 119.397 -1.529 25753 3452 1 14 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.612 0.269 25753 3453 1 14 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.032 -1.632 25753 3454 1 14 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.113 0.087 25753 3455 1 14 . 1 1 44 44 ASN H H 44 7.983 7.983 7.855 0.128 25753 3456 1 14 . 1 1 45 45 LEU N N 45 125.712 125.712 121.214 4.498 25753 3457 1 14 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.638 -0.332 25753 3458 1 14 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.701 1.399 25753 3459 1 14 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.825 -2.758 25753 3460 1 14 . 1 1 45 45 LEU H H 45 8.193 8.193 8.396 -0.203 25753 3461 1 14 . 1 1 46 46 GLN N N 46 120.613 120.613 119.508 1.105 25753 3462 1 14 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.672 -0.007 25753 3463 1 14 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.361 -0.361 25753 3464 1 14 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.906 -0.945 25753 3465 1 14 . 1 1 46 46 GLN H H 46 8.425 8.425 8.832 -0.407 25753 3466 1 14 . 1 1 47 47 CYS N N 47 122.193 122.193 121.111 1.082 25753 3467 1 14 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.873 -0.070 25753 3468 1 14 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.627 -3.927 25753 3469 1 14 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.888 10.112 25753 3470 1 14 . 1 1 47 47 CYS H H 47 9.198 9.198 8.947 0.251 25753 3471 1 14 . 1 1 48 48 ILE N N 48 129.093 129.093 125.637 3.456 25753 3472 1 14 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.641 -0.341 25753 3473 1 14 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.742 0.458 25753 3474 1 14 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.545 -2.446 25753 3475 1 14 . 1 1 48 48 ILE H H 48 8.696 8.696 8.959 -0.263 25753 3476 1 14 . 1 1 49 49 CYS N N 49 126.279 126.279 124.587 1.692 25753 3477 1 14 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.429 0.838 25753 3478 1 14 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.965 -7.578 25753 3479 1 14 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.421 6.126 25753 3480 1 14 . 1 1 49 49 CYS H H 49 8.555 8.555 8.943 -0.388 25753 3481 1 14 . 1 1 50 50 ASP N N 50 122.491 122.491 119.045 3.446 25753 3482 1 14 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.868 0.595 25753 3483 1 14 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.828 -1.728 25753 3484 1 14 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.158 -1.113 25753 3485 1 14 . 1 1 50 50 ASP H H 50 8.813 8.813 8.494 0.319 25753 3486 1 14 . 1 1 51 51 TYR N N 51 124.921 124.921 121.995 2.926 25753 3487 1 14 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.823 -0.623 25753 3488 1 14 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.826 1.274 25753 3489 1 14 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.341 -0.841 25753 3490 1 14 . 1 1 51 51 TYR H H 51 9.633 9.633 8.050 1.583 25753 3491 1 14 . 1 1 52 52 CYS N N 52 120.435 120.435 116.417 4.018 25753 3492 1 14 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.731 -0.317 25753 3493 1 14 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.263 -3.463 25753 3494 1 14 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.970 13.030 25753 3495 1 14 . 1 1 52 52 CYS H H 52 9.550 9.550 8.186 1.364 25753 3496 1 14 . 1 1 53 53 GLU N N 53 120.972 120.972 120.074 0.898 25753 3497 1 14 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.558 -0.311 25753 3498 1 14 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.777 -0.477 25753 3499 1 14 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.570 0.503 25753 3500 1 14 . 1 1 53 53 GLU H H 53 8.335 8.335 8.472 -0.137 25753 3501 1 15 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.177 0.093 25753 3502 1 15 . 1 1 3 3 LYS CA C 3 57.211 57.211 58.157 -0.946 25753 3503 1 15 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.728 -0.406 25753 3504 1 15 . 1 1 3 3 LYS H H 3 8.214 8.214 8.416 -0.202 25753 3505 1 15 . 1 1 4 4 CYS N N 4 116.570 116.570 115.053 1.517 25753 3506 1 15 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.342 0.352 25753 3507 1 15 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.166 -3.394 25753 3508 1 15 . 1 1 4 4 CYS CB C 4 41.600 41.600 25.833 15.767 25753 3509 1 15 . 1 1 4 4 CYS H H 4 8.430 8.430 8.446 -0.016 25753 3510 1 15 . 1 1 5 5 LYS N N 5 118.500 118.500 118.388 0.112 25753 3511 1 15 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.571 0.931 25753 3512 1 15 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.140 -1.574 25753 3513 1 15 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.793 0.507 25753 3514 1 15 . 1 1 5 5 LYS H H 5 7.965 7.965 7.561 0.404 25753 3515 1 15 . 1 1 6 6 LYS N N 6 121.002 121.002 121.898 -0.896 25753 3516 1 15 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.516 0.197 25753 3517 1 15 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.270 -0.270 25753 3518 1 15 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.406 1.167 25753 3519 1 15 . 1 1 6 6 LYS H H 6 8.980 8.980 7.954 1.026 25753 3520 1 15 . 1 1 7 7 VAL N N 7 127.157 127.157 123.782 3.375 25753 3521 1 15 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.943 -0.030 25753 3522 1 15 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.696 1.704 25753 3523 1 15 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.740 -0.076 25753 3524 1 15 . 1 1 7 7 VAL H H 7 8.756 8.756 8.512 0.244 25753 3525 1 15 . 1 1 8 8 TYR N N 8 129.707 129.707 129.915 -0.208 25753 3526 1 15 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.295 0.088 25753 3527 1 15 . 1 1 8 8 TYR CA C 8 55.150 55.150 59.131 -3.981 25753 3528 1 15 . 1 1 8 8 TYR CB C 8 35.621 35.621 40.002 -4.381 25753 3529 1 15 . 1 1 8 8 TYR H H 8 9.160 9.160 8.181 0.979 25753 3530 1 15 . 1 1 9 9 GLU N N 9 130.601 130.601 123.010 7.591 25753 3531 1 15 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.059 0.061 25753 3532 1 15 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.932 -1.034 25753 3533 1 15 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.007 -0.994 25753 3534 1 15 . 1 1 9 9 GLU H H 9 8.964 8.964 8.747 0.217 25753 3535 1 15 . 1 1 10 10 ASN N N 10 115.766 115.766 114.397 1.369 25753 3536 1 15 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.812 -0.447 25753 3537 1 15 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.368 0.832 25753 3538 1 15 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.894 -1.934 25753 3539 1 15 . 1 1 10 10 ASN H H 10 9.232 9.232 8.319 0.913 25753 3540 1 15 . 1 1 11 11 TYR N N 11 122.267 122.267 122.362 -0.095 25753 3541 1 15 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.640 -0.505 25753 3542 1 15 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.929 2.018 25753 3543 1 15 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.455 -1.350 25753 3544 1 15 . 1 1 11 11 TYR H H 11 7.473 7.473 8.471 -0.998 25753 3545 1 15 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.594 -0.162 25753 3546 1 15 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.578 -0.731 25753 3547 1 15 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.596 -2.346 25753 3548 1 15 . 1 1 13 13 VAL N N 13 123.595 123.595 124.903 -1.308 25753 3549 1 15 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.691 0.063 25753 3550 1 15 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.240 0.260 25753 3551 1 15 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.783 -0.672 25753 3552 1 15 . 1 1 13 13 VAL H H 13 8.102 8.102 8.558 -0.456 25753 3553 1 15 . 1 1 14 14 SER N N 14 116.945 116.945 114.505 2.440 25753 3554 1 15 . 1 1 14 14 SER HA H 14 4.119 4.119 4.233 -0.114 25753 3555 1 15 . 1 1 14 14 SER CA C 14 61.050 61.050 60.819 0.231 25753 3556 1 15 . 1 1 14 14 SER CB C 14 61.239 61.239 62.790 -1.551 25753 3557 1 15 . 1 1 14 14 SER H H 14 8.387 8.387 8.406 -0.019 25753 3558 1 15 . 1 1 15 15 LYS N N 15 121.073 121.073 120.180 0.893 25753 3559 1 15 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.286 -0.217 25753 3560 1 15 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.622 0.678 25753 3561 1 15 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.856 -1.621 25753 3562 1 15 . 1 1 15 15 LYS H H 15 7.821 7.821 7.402 0.419 25753 3563 1 15 . 1 1 16 16 CYS N N 16 115.469 115.469 119.508 -4.039 25753 3564 1 15 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.288 0.448 25753 3565 1 15 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.465 -3.665 25753 3566 1 15 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.862 14.392 25753 3567 1 15 . 1 1 16 16 CYS H H 16 7.844 7.844 7.620 0.224 25753 3568 1 15 . 1 1 17 17 GLN N N 17 115.128 115.128 117.150 -2.022 25753 3569 1 15 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.033 0.180 25753 3570 1 15 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.660 -1.560 25753 3571 1 15 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.986 -0.386 25753 3572 1 15 . 1 1 17 17 GLN H H 17 7.381 7.381 7.700 -0.319 25753 3573 1 15 . 1 1 18 18 LEU N N 18 120.972 120.972 119.372 1.600 25753 3574 1 15 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.577 -0.071 25753 3575 1 15 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.249 0.051 25753 3576 1 15 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.629 -0.535 25753 3577 1 15 . 1 1 18 18 LEU H H 18 7.286 7.286 7.797 -0.511 25753 3578 1 15 . 1 1 19 19 ALA N N 19 127.694 127.694 128.893 -1.199 25753 3579 1 15 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.016 0.099 25753 3580 1 15 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.774 -2.174 25753 3581 1 15 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.491 -0.591 25753 3582 1 15 . 1 1 19 19 ALA H H 19 8.556 8.556 8.972 -0.416 25753 3583 1 15 . 1 1 20 20 ASN N N 20 116.006 116.006 114.224 1.782 25753 3584 1 15 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.436 0.192 25753 3585 1 15 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.814 -1.114 25753 3586 1 15 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.535 1.458 25753 3587 1 15 . 1 1 20 20 ASN H H 20 9.044 9.044 8.809 0.235 25753 3588 1 15 . 1 1 21 21 GLN N N 21 122.731 122.731 120.380 2.351 25753 3589 1 15 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.270 -0.439 25753 3590 1 15 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.083 0.117 25753 3591 1 15 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.733 0.357 25753 3592 1 15 . 1 1 21 21 GLN H H 21 7.662 7.662 7.363 0.299 25753 3593 1 15 . 1 1 22 22 CYS N N 22 118.925 118.925 120.075 -1.150 25753 3594 1 15 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.054 0.209 25753 3595 1 15 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.764 -5.664 25753 3596 1 15 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.414 12.086 25753 3597 1 15 . 1 1 22 22 CYS H H 22 8.475 8.475 7.914 0.561 25753 3598 1 15 . 1 1 23 23 ASN N N 23 118.714 118.714 118.275 0.439 25753 3599 1 15 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.394 -0.588 25753 3600 1 15 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.201 0.199 25753 3601 1 15 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.523 0.508 25753 3602 1 15 . 1 1 23 23 ASN H H 23 7.972 7.972 8.394 -0.422 25753 3603 1 15 . 1 1 24 24 TYR N N 24 117.828 117.828 120.008 -2.180 25753 3604 1 15 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.094 -0.180 25753 3605 1 15 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.377 -0.177 25753 3606 1 15 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.325 -0.242 25753 3607 1 15 . 1 1 24 24 TYR H H 24 8.107 8.107 7.850 0.257 25753 3608 1 15 . 1 1 25 25 ASP N N 25 119.620 119.620 117.094 2.526 25753 3609 1 15 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.224 0.405 25753 3610 1 15 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.310 0.090 25753 3611 1 15 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.916 -1.616 25753 3612 1 15 . 1 1 25 25 ASP H H 25 9.064 9.064 8.299 0.765 25753 3613 1 15 . 1 1 26 26 CYS N N 26 120.031 120.031 120.415 -0.384 25753 3614 1 15 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.179 -0.074 25753 3615 1 15 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.596 -1.396 25753 3616 1 15 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.410 10.191 25753 3617 1 15 . 1 1 26 26 CYS H H 26 9.280 9.280 8.308 0.972 25753 3618 1 15 . 1 1 27 27 LYS N N 27 119.838 119.838 118.970 0.868 25753 3619 1 15 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.200 -0.096 25753 3620 1 15 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.959 1.341 25753 3621 1 15 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.001 0.199 25753 3622 1 15 . 1 1 27 27 LYS H H 27 7.646 7.646 8.449 -0.803 25753 3623 1 15 . 1 1 28 28 LEU N N 28 119.791 119.791 121.085 -1.294 25753 3624 1 15 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.222 -0.187 25753 3625 1 15 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.662 -0.462 25753 3626 1 15 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.866 -0.874 25753 3627 1 15 . 1 1 28 28 LEU H H 28 8.257 8.257 7.842 0.415 25753 3628 1 15 . 1 1 29 29 ASP N N 29 116.737 116.737 119.435 -2.698 25753 3629 1 15 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.631 -0.155 25753 3630 1 15 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.336 -0.739 25753 3631 1 15 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.426 -1.126 25753 3632 1 15 . 1 1 29 29 ASP H H 29 8.977 8.977 8.498 0.479 25753 3633 1 15 . 1 1 30 30 LYS N N 30 111.907 111.907 116.864 -4.957 25753 3634 1 15 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.339 0.142 25753 3635 1 15 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.527 -3.548 25753 3636 1 15 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.197 -1.713 25753 3637 1 15 . 1 1 30 30 LYS H H 30 6.618 6.618 7.749 -1.131 25753 3638 1 15 . 1 1 31 31 HIS N N 31 112.966 112.966 115.896 -2.930 25753 3639 1 15 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.299 0.243 25753 3640 1 15 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.766 -0.866 25753 3641 1 15 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.216 -2.749 25753 3642 1 15 . 1 1 31 31 HIS H H 31 7.013 7.013 8.001 -0.988 25753 3643 1 15 . 1 1 32 32 ALA N N 32 120.001 120.001 120.214 -0.213 25753 3644 1 15 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.987 0.067 25753 3645 1 15 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.786 -1.386 25753 3646 1 15 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.727 -0.827 25753 3647 1 15 . 1 1 32 32 ALA H H 32 7.644 7.644 7.354 0.290 25753 3648 1 15 . 1 1 33 33 ARG N N 33 116.588 116.588 120.560 -3.972 25753 3649 1 15 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.993 0.144 25753 3650 1 15 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.083 -1.185 25753 3651 1 15 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.699 -0.312 25753 3652 1 15 . 1 1 33 33 ARG H H 33 8.254 8.254 8.427 -0.173 25753 3653 1 15 . 1 1 34 34 SER N N 34 109.178 109.178 108.587 0.591 25753 3654 1 15 . 1 1 34 34 SER HA H 34 4.593 4.593 4.893 -0.300 25753 3655 1 15 . 1 1 34 34 SER CA C 34 57.500 57.500 57.015 0.485 25753 3656 1 15 . 1 1 34 34 SER CB C 34 64.825 64.825 67.026 -2.201 25753 3657 1 15 . 1 1 34 34 SER H H 34 7.989 7.989 7.530 0.459 25753 3658 1 15 . 1 1 35 35 GLY N N 35 107.345 107.345 106.751 0.594 25753 3659 1 15 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.829 0.871 25753 3660 1 15 . 1 1 35 35 GLY H H 35 8.633 8.633 8.101 0.532 25753 3661 1 15 . 1 1 36 36 GLU N N 36 118.288 118.288 120.857 -2.569 25753 3662 1 15 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.842 -0.550 25753 3663 1 15 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.864 0.336 25753 3664 1 15 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.677 -2.013 25753 3665 1 15 . 1 1 36 36 GLU H H 36 8.236 8.236 8.910 -0.674 25753 3666 1 15 . 1 1 37 37 CYS N N 37 120.776 120.776 118.773 2.003 25753 3667 1 15 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.002 1.001 25753 3668 1 15 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.260 -2.060 25753 3669 1 15 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.457 17.242 25753 3670 1 15 . 1 1 37 37 CYS H H 37 8.856 8.856 8.659 0.197 25753 3671 1 15 . 1 1 38 38 PHE N N 38 121.520 121.520 121.805 -0.285 25753 3672 1 15 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753 3673 1 15 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.740 0.760 25753 3674 1 15 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.514 0.499 25753 3675 1 15 . 1 1 38 38 PHE H H 38 9.082 9.082 9.188 -0.106 25753 3676 1 15 . 1 1 39 39 TYR N N 39 122.581 122.581 122.155 0.426 25753 3677 1 15 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.711 -0.099 25753 3678 1 15 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.265 0.535 25753 3679 1 15 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.930 0.170 25753 3680 1 15 . 1 1 39 39 TYR H H 39 8.683 8.683 8.620 0.063 25753 3681 1 15 . 1 1 40 40 LYS N N 40 126.022 126.022 125.381 0.641 25753 3682 1 15 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.583 -0.264 25753 3683 1 15 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.112 0.588 25753 3684 1 15 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.167 -1.367 25753 3685 1 15 . 1 1 40 40 LYS H H 40 8.319 8.319 8.449 -0.130 25753 3686 1 15 . 1 1 41 41 GLU N N 41 120.017 120.017 117.736 2.281 25753 3687 1 15 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.103 0.024 25753 3688 1 15 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.058 -1.258 25753 3689 1 15 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.898 0.165 25753 3690 1 15 . 1 1 41 41 GLU H H 41 8.657 8.657 8.566 0.091 25753 3691 1 15 . 1 1 42 42 LYS N N 42 116.887 116.887 121.210 -4.323 25753 3692 1 15 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.202 -0.410 25753 3693 1 15 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.055 -0.355 25753 3694 1 15 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.558 -1.758 25753 3695 1 15 . 1 1 42 42 LYS H H 42 8.468 8.468 8.320 0.148 25753 3696 1 15 . 1 1 43 43 ARG N N 43 115.559 115.559 116.667 -1.108 25753 3697 1 15 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.429 -0.203 25753 3698 1 15 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.966 0.034 25753 3699 1 15 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.971 -1.171 25753 3700 1 15 . 1 1 43 43 ARG H H 43 8.165 8.165 7.998 0.167 25753 3701 1 15 . 1 1 44 44 ASN N N 44 117.868 117.868 118.691 -0.823 25753 3702 1 15 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.615 0.266 25753 3703 1 15 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.274 -1.874 25753 3704 1 15 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.209 -0.009 25753 3705 1 15 . 1 1 44 44 ASN H H 44 7.983 7.983 7.959 0.024 25753 3706 1 15 . 1 1 45 45 LEU N N 45 125.712 125.712 121.070 4.642 25753 3707 1 15 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.539 -0.233 25753 3708 1 15 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.774 1.326 25753 3709 1 15 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.306 -2.239 25753 3710 1 15 . 1 1 45 45 LEU H H 45 8.193 8.193 8.088 0.105 25753 3711 1 15 . 1 1 46 46 GLN N N 46 120.613 120.613 119.601 1.012 25753 3712 1 15 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.665 -0.000 25753 3713 1 15 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.112 -0.112 25753 3714 1 15 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.006 -1.045 25753 3715 1 15 . 1 1 46 46 GLN H H 46 8.425 8.425 8.664 -0.239 25753 3716 1 15 . 1 1 47 47 CYS N N 47 122.193 122.193 121.080 1.113 25753 3717 1 15 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.002 -0.199 25753 3718 1 15 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.580 -3.880 25753 3719 1 15 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.866 10.133 25753 3720 1 15 . 1 1 47 47 CYS H H 47 9.198 9.198 8.926 0.272 25753 3721 1 15 . 1 1 48 48 ILE N N 48 129.093 129.093 125.479 3.614 25753 3722 1 15 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.683 -0.383 25753 3723 1 15 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.742 0.458 25753 3724 1 15 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.679 -2.579 25753 3725 1 15 . 1 1 48 48 ILE H H 48 8.696 8.696 9.036 -0.340 25753 3726 1 15 . 1 1 49 49 CYS N N 49 126.279 126.279 124.699 1.580 25753 3727 1 15 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.447 0.820 25753 3728 1 15 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.043 -7.656 25753 3729 1 15 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.263 6.284 25753 3730 1 15 . 1 1 49 49 CYS H H 49 8.555 8.555 8.974 -0.419 25753 3731 1 15 . 1 1 50 50 ASP N N 50 122.491 122.491 119.481 3.010 25753 3732 1 15 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.910 0.553 25753 3733 1 15 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.910 -1.810 25753 3734 1 15 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.482 -1.436 25753 3735 1 15 . 1 1 50 50 ASP H H 50 8.813 8.813 8.492 0.321 25753 3736 1 15 . 1 1 51 51 TYR N N 51 124.921 124.921 120.203 4.718 25753 3737 1 15 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.789 -0.589 25753 3738 1 15 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.634 1.466 25753 3739 1 15 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.532 -1.032 25753 3740 1 15 . 1 1 51 51 TYR H H 51 9.633 9.633 8.519 1.114 25753 3741 1 15 . 1 1 52 52 CYS N N 52 120.435 120.435 117.590 2.845 25753 3742 1 15 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.752 -0.338 25753 3743 1 15 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.158 -3.358 25753 3744 1 15 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.383 13.617 25753 3745 1 15 . 1 1 52 52 CYS H H 52 9.550 9.550 8.148 1.402 25753 3746 1 15 . 1 1 53 53 GLU N N 53 120.972 120.972 119.992 0.980 25753 3747 1 15 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.682 -0.435 25753 3748 1 15 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.485 -0.185 25753 3749 1 15 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.858 0.214 25753 3750 1 15 . 1 1 53 53 GLU H H 53 8.335 8.335 8.174 0.161 25753 3751 1 16 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.203 0.067 25753 3752 1 16 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.879 0.332 25753 3753 1 16 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.993 -0.671 25753 3754 1 16 . 1 1 3 3 LYS H H 3 8.214 8.214 8.044 0.170 25753 3755 1 16 . 1 1 4 4 CYS N N 4 116.570 116.570 117.870 -1.300 25753 3756 1 16 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.347 0.347 25753 3757 1 16 . 1 1 4 4 CYS CA C 4 56.772 56.772 59.950 -3.178 25753 3758 1 16 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.099 14.501 25753 3759 1 16 . 1 1 4 4 CYS H H 4 8.430 8.430 8.455 -0.025 25753 3760 1 16 . 1 1 5 5 LYS N N 5 118.500 118.500 118.124 0.376 25753 3761 1 16 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.534 0.968 25753 3762 1 16 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.293 -1.727 25753 3763 1 16 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.784 0.516 25753 3764 1 16 . 1 1 5 5 LYS H H 5 7.965 7.965 7.848 0.117 25753 3765 1 16 . 1 1 6 6 LYS N N 6 121.002 121.002 121.900 -0.898 25753 3766 1 16 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.507 0.206 25753 3767 1 16 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.155 -0.155 25753 3768 1 16 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.308 1.265 25753 3769 1 16 . 1 1 6 6 LYS H H 6 8.980 8.980 7.890 1.090 25753 3770 1 16 . 1 1 7 7 VAL N N 7 127.157 127.157 124.365 2.792 25753 3771 1 16 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.858 0.055 25753 3772 1 16 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.526 0.875 25753 3773 1 16 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.658 0.006 25753 3774 1 16 . 1 1 7 7 VAL H H 7 8.756 8.756 8.551 0.205 25753 3775 1 16 . 1 1 8 8 TYR N N 8 129.707 129.707 129.424 0.283 25753 3776 1 16 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.345 0.038 25753 3777 1 16 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.553 -3.403 25753 3778 1 16 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.610 -3.989 25753 3779 1 16 . 1 1 8 8 TYR H H 8 9.160 9.160 8.143 1.017 25753 3780 1 16 . 1 1 9 9 GLU N N 9 130.601 130.601 122.919 7.682 25753 3781 1 16 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.069 0.051 25753 3782 1 16 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.831 -0.933 25753 3783 1 16 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.034 -1.021 25753 3784 1 16 . 1 1 9 9 GLU H H 9 8.964 8.964 8.923 0.041 25753 3785 1 16 . 1 1 10 10 ASN N N 10 115.766 115.766 114.428 1.338 25753 3786 1 16 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.802 -0.437 25753 3787 1 16 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.274 0.926 25753 3788 1 16 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.963 -2.003 25753 3789 1 16 . 1 1 10 10 ASN H H 10 9.232 9.232 8.178 1.054 25753 3790 1 16 . 1 1 11 11 TYR N N 11 122.267 122.267 121.462 0.805 25753 3791 1 16 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.648 -0.513 25753 3792 1 16 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.968 1.979 25753 3793 1 16 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.480 -1.375 25753 3794 1 16 . 1 1 11 11 TYR H H 11 7.473 7.473 8.433 -0.960 25753 3795 1 16 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.577 -0.145 25753 3796 1 16 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.783 -0.936 25753 3797 1 16 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.666 -2.416 25753 3798 1 16 . 1 1 13 13 VAL N N 13 123.595 123.595 125.157 -1.562 25753 3799 1 16 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.645 0.109 25753 3800 1 16 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.304 0.196 25753 3801 1 16 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.911 -0.800 25753 3802 1 16 . 1 1 13 13 VAL H H 13 8.102 8.102 8.599 -0.497 25753 3803 1 16 . 1 1 14 14 SER N N 14 116.945 116.945 115.218 1.727 25753 3804 1 16 . 1 1 14 14 SER HA H 14 4.119 4.119 4.220 -0.101 25753 3805 1 16 . 1 1 14 14 SER CA C 14 61.050 61.050 61.672 -0.622 25753 3806 1 16 . 1 1 14 14 SER CB C 14 61.239 61.239 62.921 -1.682 25753 3807 1 16 . 1 1 14 14 SER H H 14 8.387 8.387 8.372 0.015 25753 3808 1 16 . 1 1 15 15 LYS N N 15 121.073 121.073 121.745 -0.672 25753 3809 1 16 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.174 -0.105 25753 3810 1 16 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.153 1.147 25753 3811 1 16 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.417 -0.182 25753 3812 1 16 . 1 1 15 15 LYS H H 15 7.821 7.821 8.320 -0.499 25753 3813 1 16 . 1 1 16 16 CYS N N 16 115.469 115.469 119.165 -3.696 25753 3814 1 16 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.293 0.443 25753 3815 1 16 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.145 -3.345 25753 3816 1 16 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.012 14.242 25753 3817 1 16 . 1 1 16 16 CYS H H 16 7.844 7.844 7.645 0.199 25753 3818 1 16 . 1 1 17 17 GLN N N 17 115.128 115.128 117.199 -2.071 25753 3819 1 16 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.042 0.171 25753 3820 1 16 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.586 -1.486 25753 3821 1 16 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.977 -0.376 25753 3822 1 16 . 1 1 17 17 GLN H H 17 7.381 7.381 7.493 -0.112 25753 3823 1 16 . 1 1 18 18 LEU N N 18 120.972 120.972 120.173 0.799 25753 3824 1 16 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.632 -0.126 25753 3825 1 16 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.196 0.104 25753 3826 1 16 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.179 -0.085 25753 3827 1 16 . 1 1 18 18 LEU H H 18 7.286 7.286 7.906 -0.620 25753 3828 1 16 . 1 1 19 19 ALA N N 19 127.694 127.694 128.870 -1.176 25753 3829 1 16 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.995 0.120 25753 3830 1 16 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.438 -1.838 25753 3831 1 16 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.529 -0.629 25753 3832 1 16 . 1 1 19 19 ALA H H 19 8.556 8.556 8.985 -0.429 25753 3833 1 16 . 1 1 20 20 ASN N N 20 116.006 116.006 114.979 1.027 25753 3834 1 16 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.490 0.138 25753 3835 1 16 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.997 -1.297 25753 3836 1 16 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.958 1.035 25753 3837 1 16 . 1 1 20 20 ASN H H 20 9.044 9.044 8.759 0.285 25753 3838 1 16 . 1 1 21 21 GLN N N 21 122.731 122.731 120.889 1.842 25753 3839 1 16 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.322 -0.491 25753 3840 1 16 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.174 0.026 25753 3841 1 16 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.988 0.102 25753 3842 1 16 . 1 1 21 21 GLN H H 21 7.662 7.662 7.830 -0.168 25753 3843 1 16 . 1 1 22 22 CYS N N 22 118.925 118.925 119.909 -0.984 25753 3844 1 16 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.148 0.115 25753 3845 1 16 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.813 -5.713 25753 3846 1 16 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.444 12.056 25753 3847 1 16 . 1 1 22 22 CYS H H 22 8.475 8.475 7.931 0.544 25753 3848 1 16 . 1 1 23 23 ASN N N 23 118.714 118.714 118.045 0.669 25753 3849 1 16 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.429 -0.623 25753 3850 1 16 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.153 0.247 25753 3851 1 16 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.479 0.552 25753 3852 1 16 . 1 1 23 23 ASN H H 23 7.972 7.972 8.202 -0.230 25753 3853 1 16 . 1 1 24 24 TYR N N 24 117.828 117.828 120.085 -2.257 25753 3854 1 16 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.106 -0.193 25753 3855 1 16 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.406 -0.206 25753 3856 1 16 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.371 -0.288 25753 3857 1 16 . 1 1 24 24 TYR H H 24 8.107 8.107 7.778 0.329 25753 3858 1 16 . 1 1 25 25 ASP N N 25 119.620 119.620 117.071 2.549 25753 3859 1 16 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.319 0.310 25753 3860 1 16 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.816 0.584 25753 3861 1 16 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.884 -1.584 25753 3862 1 16 . 1 1 25 25 ASP H H 25 9.064 9.064 8.368 0.696 25753 3863 1 16 . 1 1 26 26 CYS N N 26 120.031 120.031 120.462 -0.431 25753 3864 1 16 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.215 -0.110 25753 3865 1 16 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.633 -1.433 25753 3866 1 16 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.530 10.070 25753 3867 1 16 . 1 1 26 26 CYS H H 26 9.280 9.280 8.340 0.940 25753 3868 1 16 . 1 1 27 27 LYS N N 27 119.838 119.838 118.981 0.857 25753 3869 1 16 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.184 -0.080 25753 3870 1 16 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.006 1.294 25753 3871 1 16 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.012 0.188 25753 3872 1 16 . 1 1 27 27 LYS H H 27 7.646 7.646 8.451 -0.805 25753 3873 1 16 . 1 1 28 28 LEU N N 28 119.791 119.791 121.359 -1.568 25753 3874 1 16 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.108 -0.073 25753 3875 1 16 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.439 -0.239 25753 3876 1 16 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.741 -0.749 25753 3877 1 16 . 1 1 28 28 LEU H H 28 8.257 8.257 7.719 0.538 25753 3878 1 16 . 1 1 29 29 ASP N N 29 116.737 116.737 118.999 -2.262 25753 3879 1 16 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.649 -0.173 25753 3880 1 16 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.719 -1.122 25753 3881 1 16 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.418 -1.118 25753 3882 1 16 . 1 1 29 29 ASP H H 29 8.977 8.977 8.633 0.344 25753 3883 1 16 . 1 1 30 30 LYS N N 30 111.907 111.907 116.437 -4.530 25753 3884 1 16 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.297 0.184 25753 3885 1 16 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.986 -3.007 25753 3886 1 16 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.858 -1.374 25753 3887 1 16 . 1 1 30 30 LYS H H 30 6.618 6.618 7.820 -1.202 25753 3888 1 16 . 1 1 31 31 HIS N N 31 112.966 112.966 115.844 -2.878 25753 3889 1 16 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.255 0.287 25753 3890 1 16 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.654 -0.753 25753 3891 1 16 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.349 -2.882 25753 3892 1 16 . 1 1 31 31 HIS H H 31 7.013 7.013 7.855 -0.842 25753 3893 1 16 . 1 1 32 32 ALA N N 32 120.001 120.001 119.606 0.395 25753 3894 1 16 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.749 0.306 25753 3895 1 16 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.648 -1.248 25753 3896 1 16 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.698 -0.798 25753 3897 1 16 . 1 1 32 32 ALA H H 32 7.644 7.644 7.190 0.454 25753 3898 1 16 . 1 1 33 33 ARG N N 33 116.588 116.588 119.779 -3.191 25753 3899 1 16 . 1 1 33 33 ARG HA H 33 4.137 4.137 4.015 0.122 25753 3900 1 16 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.626 -0.728 25753 3901 1 16 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.669 -0.282 25753 3902 1 16 . 1 1 33 33 ARG H H 33 8.254 8.254 8.337 -0.083 25753 3903 1 16 . 1 1 34 34 SER N N 34 109.178 109.178 109.704 -0.526 25753 3904 1 16 . 1 1 34 34 SER HA H 34 4.593 4.593 4.764 -0.171 25753 3905 1 16 . 1 1 34 34 SER CA C 34 57.500 57.500 57.341 0.159 25753 3906 1 16 . 1 1 34 34 SER CB C 34 64.825 64.825 66.950 -2.124 25753 3907 1 16 . 1 1 34 34 SER H H 34 7.989 7.989 7.852 0.137 25753 3908 1 16 . 1 1 35 35 GLY N N 35 107.345 107.345 106.727 0.618 25753 3909 1 16 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.810 0.890 25753 3910 1 16 . 1 1 35 35 GLY H H 35 8.633 8.633 8.653 -0.020 25753 3911 1 16 . 1 1 36 36 GLU N N 36 118.288 118.288 121.930 -3.642 25753 3912 1 16 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.838 -0.546 25753 3913 1 16 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.696 0.504 25753 3914 1 16 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.824 -2.160 25753 3915 1 16 . 1 1 36 36 GLU H H 36 8.236 8.236 9.091 -0.855 25753 3916 1 16 . 1 1 37 37 CYS N N 37 120.776 120.776 118.965 1.811 25753 3917 1 16 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.123 0.880 25753 3918 1 16 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.482 -2.282 25753 3919 1 16 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.522 17.178 25753 3920 1 16 . 1 1 37 37 CYS H H 37 8.856 8.856 8.671 0.185 25753 3921 1 16 . 1 1 38 38 PHE N N 38 121.520 121.520 121.966 -0.446 25753 3922 1 16 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.859 -0.172 25753 3923 1 16 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.671 0.829 25753 3924 1 16 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.517 0.496 25753 3925 1 16 . 1 1 38 38 PHE H H 38 9.082 9.082 9.160 -0.078 25753 3926 1 16 . 1 1 39 39 TYR N N 39 122.581 122.581 122.315 0.266 25753 3927 1 16 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 3928 1 16 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.258 0.542 25753 3929 1 16 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.951 0.149 25753 3930 1 16 . 1 1 39 39 TYR H H 39 8.683 8.683 8.598 0.085 25753 3931 1 16 . 1 1 40 40 LYS N N 40 126.022 126.022 125.399 0.623 25753 3932 1 16 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.581 -0.262 25753 3933 1 16 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.069 0.631 25753 3934 1 16 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.195 -1.395 25753 3935 1 16 . 1 1 40 40 LYS H H 40 8.319 8.319 8.446 -0.127 25753 3936 1 16 . 1 1 41 41 GLU N N 41 120.017 120.017 117.699 2.318 25753 3937 1 16 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.099 0.028 25753 3938 1 16 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.048 -1.248 25753 3939 1 16 . 1 1 41 41 GLU CB C 41 29.063 29.063 28.954 0.109 25753 3940 1 16 . 1 1 41 41 GLU H H 41 8.657 8.657 8.540 0.117 25753 3941 1 16 . 1 1 42 42 LYS N N 42 116.887 116.887 121.254 -4.367 25753 3942 1 16 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.210 -0.418 25753 3943 1 16 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.096 -0.396 25753 3944 1 16 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.581 -1.781 25753 3945 1 16 . 1 1 42 42 LYS H H 42 8.468 8.468 8.313 0.155 25753 3946 1 16 . 1 1 43 43 ARG N N 43 115.559 115.559 116.638 -1.079 25753 3947 1 16 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.445 -0.219 25753 3948 1 16 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.985 0.015 25753 3949 1 16 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.995 -1.195 25753 3950 1 16 . 1 1 43 43 ARG H H 43 8.165 8.165 8.112 0.053 25753 3951 1 16 . 1 1 44 44 ASN N N 44 117.868 117.868 119.585 -1.717 25753 3952 1 16 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.655 0.226 25753 3953 1 16 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.755 -1.355 25753 3954 1 16 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.279 -0.078 25753 3955 1 16 . 1 1 44 44 ASN H H 44 7.983 7.983 7.862 0.121 25753 3956 1 16 . 1 1 45 45 LEU N N 45 125.712 125.712 120.868 4.844 25753 3957 1 16 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.638 -0.332 25753 3958 1 16 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.792 1.308 25753 3959 1 16 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.907 -2.840 25753 3960 1 16 . 1 1 45 45 LEU H H 45 8.193 8.193 8.413 -0.220 25753 3961 1 16 . 1 1 46 46 GLN N N 46 120.613 120.613 119.470 1.143 25753 3962 1 16 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.679 -0.014 25753 3963 1 16 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.133 -0.133 25753 3964 1 16 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.028 -1.067 25753 3965 1 16 . 1 1 46 46 GLN H H 46 8.425 8.425 8.779 -0.354 25753 3966 1 16 . 1 1 47 47 CYS N N 47 122.193 122.193 121.091 1.102 25753 3967 1 16 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.001 -0.198 25753 3968 1 16 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.593 -3.893 25753 3969 1 16 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.773 10.226 25753 3970 1 16 . 1 1 47 47 CYS H H 47 9.198 9.198 8.942 0.256 25753 3971 1 16 . 1 1 48 48 ILE N N 48 129.093 129.093 125.460 3.633 25753 3972 1 16 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.626 -0.326 25753 3973 1 16 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.794 0.406 25753 3974 1 16 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.361 -2.261 25753 3975 1 16 . 1 1 48 48 ILE H H 48 8.696 8.696 8.870 -0.174 25753 3976 1 16 . 1 1 49 49 CYS N N 49 126.279 126.279 124.272 2.007 25753 3977 1 16 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.497 0.770 25753 3978 1 16 . 1 1 49 49 CYS CA C 49 51.387 51.387 59.080 -7.693 25753 3979 1 16 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.639 5.908 25753 3980 1 16 . 1 1 49 49 CYS H H 49 8.555 8.555 8.926 -0.371 25753 3981 1 16 . 1 1 50 50 ASP N N 50 122.491 122.491 118.109 4.382 25753 3982 1 16 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.904 0.559 25753 3983 1 16 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.879 -1.779 25753 3984 1 16 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.226 -1.180 25753 3985 1 16 . 1 1 50 50 ASP H H 50 8.813 8.813 8.608 0.205 25753 3986 1 16 . 1 1 51 51 TYR N N 51 124.921 124.921 122.280 2.641 25753 3987 1 16 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.833 -0.633 25753 3988 1 16 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.032 2.068 25753 3989 1 16 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.139 -0.639 25753 3990 1 16 . 1 1 51 51 TYR H H 51 9.633 9.633 8.013 1.620 25753 3991 1 16 . 1 1 52 52 CYS N N 52 120.435 120.435 113.403 7.032 25753 3992 1 16 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.726 -0.312 25753 3993 1 16 . 1 1 52 52 CYS CA C 52 54.800 54.800 58.187 -3.387 25753 3994 1 16 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.463 14.537 25753 3995 1 16 . 1 1 52 52 CYS H H 52 9.550 9.550 7.780 1.770 25753 3996 1 16 . 1 1 53 53 GLU N N 53 120.972 120.972 120.928 0.044 25753 3997 1 16 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.473 -0.226 25753 3998 1 16 . 1 1 53 53 GLU CA C 53 55.300 55.300 54.946 0.354 25753 3999 1 16 . 1 1 53 53 GLU CB C 53 31.073 31.073 32.234 -1.161 25753 4000 1 16 . 1 1 53 53 GLU H H 53 8.335 8.335 8.107 0.228 25753 4001 1 17 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.372 -0.102 25753 4002 1 17 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.689 0.522 25753 4003 1 17 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.505 -0.183 25753 4004 1 17 . 1 1 3 3 LYS H H 3 8.214 8.214 8.151 0.063 25753 4005 1 17 . 1 1 4 4 CYS N N 4 116.570 116.570 118.307 -1.737 25753 4006 1 17 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.271 0.423 25753 4007 1 17 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.673 -3.901 25753 4008 1 17 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.603 14.997 25753 4009 1 17 . 1 1 4 4 CYS H H 4 8.430 8.430 8.437 -0.007 25753 4010 1 17 . 1 1 5 5 LYS N N 5 118.500 118.500 118.049 0.451 25753 4011 1 17 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.538 0.964 25753 4012 1 17 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.262 -1.696 25753 4013 1 17 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.759 0.541 25753 4014 1 17 . 1 1 5 5 LYS H H 5 7.965 7.965 7.911 0.054 25753 4015 1 17 . 1 1 6 6 LYS N N 6 121.002 121.002 121.267 -0.265 25753 4016 1 17 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.538 0.175 25753 4017 1 17 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.239 -0.239 25753 4018 1 17 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.702 0.871 25753 4019 1 17 . 1 1 6 6 LYS H H 6 8.980 8.980 7.926 1.054 25753 4020 1 17 . 1 1 7 7 VAL N N 7 127.157 127.157 123.147 4.010 25753 4021 1 17 . 1 1 7 7 VAL HA H 7 3.913 3.913 4.012 -0.099 25753 4022 1 17 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.076 1.324 25753 4023 1 17 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.913 -0.249 25753 4024 1 17 . 1 1 7 7 VAL H H 7 8.756 8.756 8.539 0.217 25753 4025 1 17 . 1 1 8 8 TYR N N 8 129.707 129.707 130.151 -0.444 25753 4026 1 17 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.241 0.142 25753 4027 1 17 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.742 -3.592 25753 4028 1 17 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.548 -3.928 25753 4029 1 17 . 1 1 8 8 TYR H H 8 9.160 9.160 8.224 0.936 25753 4030 1 17 . 1 1 9 9 GLU N N 9 130.601 130.601 123.023 7.578 25753 4031 1 17 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.070 0.050 25753 4032 1 17 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.969 -1.071 25753 4033 1 17 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.952 -0.939 25753 4034 1 17 . 1 1 9 9 GLU H H 9 8.964 8.964 8.704 0.260 25753 4035 1 17 . 1 1 10 10 ASN N N 10 115.766 115.766 114.490 1.276 25753 4036 1 17 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.830 -0.465 25753 4037 1 17 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.226 0.974 25753 4038 1 17 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.590 -1.630 25753 4039 1 17 . 1 1 10 10 ASN H H 10 9.232 9.232 8.445 0.787 25753 4040 1 17 . 1 1 11 11 TYR N N 11 122.267 122.267 122.880 -0.613 25753 4041 1 17 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.713 -0.578 25753 4042 1 17 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.848 2.099 25753 4043 1 17 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.762 -0.657 25753 4044 1 17 . 1 1 11 11 TYR H H 11 7.473 7.473 8.338 -0.865 25753 4045 1 17 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.555 -0.123 25753 4046 1 17 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.543 -0.696 25753 4047 1 17 . 1 1 12 12 PRO CB C 12 30.250 30.250 33.110 -2.860 25753 4048 1 17 . 1 1 13 13 VAL N N 13 123.595 123.595 124.010 -0.415 25753 4049 1 17 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.649 0.105 25753 4050 1 17 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.698 -0.198 25753 4051 1 17 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.960 -0.849 25753 4052 1 17 . 1 1 13 13 VAL H H 13 8.102 8.102 8.611 -0.509 25753 4053 1 17 . 1 1 14 14 SER N N 14 116.945 116.945 113.834 3.111 25753 4054 1 17 . 1 1 14 14 SER HA H 14 4.119 4.119 4.229 -0.110 25753 4055 1 17 . 1 1 14 14 SER CA C 14 61.050 61.050 61.100 -0.050 25753 4056 1 17 . 1 1 14 14 SER CB C 14 61.239 61.239 62.697 -1.458 25753 4057 1 17 . 1 1 14 14 SER H H 14 8.387 8.387 8.367 0.020 25753 4058 1 17 . 1 1 15 15 LYS N N 15 121.073 121.073 120.525 0.548 25753 4059 1 17 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.211 -0.142 25753 4060 1 17 . 1 1 15 15 LYS CA C 15 59.300 59.300 59.036 0.264 25753 4061 1 17 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.825 -1.590 25753 4062 1 17 . 1 1 15 15 LYS H H 15 7.821 7.821 7.415 0.406 25753 4063 1 17 . 1 1 16 16 CYS N N 16 115.469 115.469 119.351 -3.882 25753 4064 1 17 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.285 0.451 25753 4065 1 17 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.577 -3.777 25753 4066 1 17 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.849 14.405 25753 4067 1 17 . 1 1 16 16 CYS H H 16 7.844 7.844 7.753 0.091 25753 4068 1 17 . 1 1 17 17 GLN N N 17 115.128 115.128 117.174 -2.046 25753 4069 1 17 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.033 0.180 25753 4070 1 17 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.897 -1.797 25753 4071 1 17 . 1 1 17 17 GLN CB C 17 28.600 28.600 29.024 -0.424 25753 4072 1 17 . 1 1 17 17 GLN H H 17 7.381 7.381 7.641 -0.260 25753 4073 1 17 . 1 1 18 18 LEU N N 18 120.972 120.972 119.743 1.229 25753 4074 1 17 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.657 -0.151 25753 4075 1 17 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.075 0.225 25753 4076 1 17 . 1 1 18 18 LEU CB C 18 42.094 42.094 41.999 0.095 25753 4077 1 17 . 1 1 18 18 LEU H H 18 7.286 7.286 7.979 -0.693 25753 4078 1 17 . 1 1 19 19 ALA N N 19 127.694 127.694 129.584 -1.890 25753 4079 1 17 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.942 0.173 25753 4080 1 17 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.503 -1.903 25753 4081 1 17 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.404 -0.504 25753 4082 1 17 . 1 1 19 19 ALA H H 19 8.556 8.556 8.992 -0.436 25753 4083 1 17 . 1 1 20 20 ASN N N 20 116.006 116.006 114.611 1.395 25753 4084 1 17 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.476 0.152 25753 4085 1 17 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.965 -1.265 25753 4086 1 17 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.995 0.998 25753 4087 1 17 . 1 1 20 20 ASN H H 20 9.044 9.044 8.738 0.306 25753 4088 1 17 . 1 1 21 21 GLN N N 21 122.731 122.731 120.479 2.252 25753 4089 1 17 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.357 -0.526 25753 4090 1 17 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.853 0.347 25753 4091 1 17 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.191 -0.101 25753 4092 1 17 . 1 1 21 21 GLN H H 21 7.662 7.662 7.980 -0.318 25753 4093 1 17 . 1 1 22 22 CYS N N 22 118.925 118.925 120.774 -1.849 25753 4094 1 17 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.066 0.197 25753 4095 1 17 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.657 -5.557 25753 4096 1 17 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.398 12.102 25753 4097 1 17 . 1 1 22 22 CYS H H 22 8.475 8.475 8.215 0.260 25753 4098 1 17 . 1 1 23 23 ASN N N 23 118.714 118.714 117.869 0.845 25753 4099 1 17 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.375 -0.569 25753 4100 1 17 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.191 0.209 25753 4101 1 17 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.401 0.630 25753 4102 1 17 . 1 1 23 23 ASN H H 23 7.972 7.972 8.198 -0.226 25753 4103 1 17 . 1 1 24 24 TYR N N 24 117.828 117.828 119.611 -1.783 25753 4104 1 17 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.119 -0.205 25753 4105 1 17 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.417 -0.217 25753 4106 1 17 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.361 -0.278 25753 4107 1 17 . 1 1 24 24 TYR H H 24 8.107 8.107 7.707 0.400 25753 4108 1 17 . 1 1 25 25 ASP N N 25 119.620 119.620 117.153 2.467 25753 4109 1 17 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.286 0.343 25753 4110 1 17 . 1 1 25 25 ASP CA C 25 57.400 57.400 57.349 0.051 25753 4111 1 17 . 1 1 25 25 ASP CB C 25 40.300 40.300 42.045 -1.746 25753 4112 1 17 . 1 1 25 25 ASP H H 25 9.064 9.064 8.245 0.819 25753 4113 1 17 . 1 1 26 26 CYS N N 26 120.031 120.031 120.615 -0.584 25753 4114 1 17 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.124 -0.019 25753 4115 1 17 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.628 -1.428 25753 4116 1 17 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.334 10.266 25753 4117 1 17 . 1 1 26 26 CYS H H 26 9.280 9.280 8.420 0.860 25753 4118 1 17 . 1 1 27 27 LYS N N 27 119.838 119.838 118.930 0.908 25753 4119 1 17 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.237 -0.133 25753 4120 1 17 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.002 1.298 25753 4121 1 17 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.067 0.133 25753 4122 1 17 . 1 1 27 27 LYS H H 27 7.646 7.646 8.449 -0.803 25753 4123 1 17 . 1 1 28 28 LEU N N 28 119.791 119.791 120.905 -1.114 25753 4124 1 17 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.130 -0.095 25753 4125 1 17 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.435 -0.235 25753 4126 1 17 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.925 -0.933 25753 4127 1 17 . 1 1 28 28 LEU H H 28 8.257 8.257 7.775 0.482 25753 4128 1 17 . 1 1 29 29 ASP N N 29 116.737 116.737 117.901 -1.164 25753 4129 1 17 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.417 0.059 25753 4130 1 17 . 1 1 29 29 ASP CA C 29 55.597 55.597 57.288 -1.691 25753 4131 1 17 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.548 -1.248 25753 4132 1 17 . 1 1 29 29 ASP H H 29 8.977 8.977 8.501 0.476 25753 4133 1 17 . 1 1 30 30 LYS N N 30 111.907 111.907 116.484 -4.577 25753 4134 1 17 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.182 0.299 25753 4135 1 17 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.331 -3.352 25753 4136 1 17 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.651 -1.167 25753 4137 1 17 . 1 1 30 30 LYS H H 30 6.618 6.618 7.577 -0.959 25753 4138 1 17 . 1 1 31 31 HIS N N 31 112.966 112.966 114.007 -1.041 25753 4139 1 17 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.285 0.257 25753 4140 1 17 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.803 -0.903 25753 4141 1 17 . 1 1 31 31 HIS CB C 31 25.467 25.467 26.903 -1.436 25753 4142 1 17 . 1 1 31 31 HIS H H 31 7.013 7.013 7.553 -0.540 25753 4143 1 17 . 1 1 32 32 ALA N N 32 120.001 120.001 119.751 0.250 25753 4144 1 17 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.842 0.213 25753 4145 1 17 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.480 -1.080 25753 4146 1 17 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.722 -0.822 25753 4147 1 17 . 1 1 32 32 ALA H H 32 7.644 7.644 7.329 0.315 25753 4148 1 17 . 1 1 33 33 ARG N N 33 116.588 116.588 120.664 -4.076 25753 4149 1 17 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.997 0.140 25753 4150 1 17 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.155 -1.257 25753 4151 1 17 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.688 -0.301 25753 4152 1 17 . 1 1 33 33 ARG H H 33 8.254 8.254 8.423 -0.169 25753 4153 1 17 . 1 1 34 34 SER N N 34 109.178 109.178 108.488 0.690 25753 4154 1 17 . 1 1 34 34 SER HA H 34 4.593 4.593 5.101 -0.508 25753 4155 1 17 . 1 1 34 34 SER CA C 34 57.500 57.500 57.160 0.341 25753 4156 1 17 . 1 1 34 34 SER CB C 34 64.825 64.825 67.150 -2.325 25753 4157 1 17 . 1 1 34 34 SER H H 34 7.989 7.989 7.605 0.384 25753 4158 1 17 . 1 1 35 35 GLY N N 35 107.345 107.345 106.717 0.628 25753 4159 1 17 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.750 0.950 25753 4160 1 17 . 1 1 35 35 GLY H H 35 8.633 8.633 8.115 0.518 25753 4161 1 17 . 1 1 36 36 GLU N N 36 118.288 118.288 121.015 -2.727 25753 4162 1 17 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.811 -0.519 25753 4163 1 17 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.336 0.864 25753 4164 1 17 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.834 -1.170 25753 4165 1 17 . 1 1 36 36 GLU H H 36 8.236 8.236 8.523 -0.287 25753 4166 1 17 . 1 1 37 37 CYS N N 37 120.776 120.776 118.186 2.590 25753 4167 1 17 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.848 1.155 25753 4168 1 17 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.356 -2.156 25753 4169 1 17 . 1 1 37 37 CYS CB C 37 45.700 45.700 27.758 17.942 25753 4170 1 17 . 1 1 37 37 CYS H H 37 8.856 8.856 8.531 0.325 25753 4171 1 17 . 1 1 38 38 PHE N N 38 121.520 121.520 123.251 -1.731 25753 4172 1 17 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.789 -0.102 25753 4173 1 17 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.717 0.783 25753 4174 1 17 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.590 -0.577 25753 4175 1 17 . 1 1 38 38 PHE H H 38 9.082 9.082 9.249 -0.167 25753 4176 1 17 . 1 1 39 39 TYR N N 39 122.581 122.581 123.604 -1.023 25753 4177 1 17 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 4178 1 17 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.231 0.569 25753 4179 1 17 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.078 0.022 25753 4180 1 17 . 1 1 39 39 TYR H H 39 8.683 8.683 8.471 0.212 25753 4181 1 17 . 1 1 40 40 LYS N N 40 126.022 126.022 125.364 0.658 25753 4182 1 17 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.600 -0.281 25753 4183 1 17 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.739 0.961 25753 4184 1 17 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.487 -1.687 25753 4185 1 17 . 1 1 40 40 LYS H H 40 8.319 8.319 8.402 -0.083 25753 4186 1 17 . 1 1 41 41 GLU N N 41 120.017 120.017 117.936 2.081 25753 4187 1 17 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.091 0.036 25753 4188 1 17 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.963 -1.163 25753 4189 1 17 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.219 -0.156 25753 4190 1 17 . 1 1 41 41 GLU H H 41 8.657 8.657 8.599 0.058 25753 4191 1 17 . 1 1 42 42 LYS N N 42 116.887 116.887 121.017 -4.130 25753 4192 1 17 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.147 -0.355 25753 4193 1 17 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.139 -0.439 25753 4194 1 17 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.467 -1.667 25753 4195 1 17 . 1 1 42 42 LYS H H 42 8.468 8.468 8.425 0.043 25753 4196 1 17 . 1 1 43 43 ARG N N 43 115.559 115.559 115.453 0.106 25753 4197 1 17 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.533 -0.307 25753 4198 1 17 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.472 0.528 25753 4199 1 17 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.075 -1.275 25753 4200 1 17 . 1 1 43 43 ARG H H 43 8.165 8.165 8.368 -0.203 25753 4201 1 17 . 1 1 44 44 ASN N N 44 117.868 117.868 118.745 -0.877 25753 4202 1 17 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.634 0.247 25753 4203 1 17 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.947 -1.547 25753 4204 1 17 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.236 -0.036 25753 4205 1 17 . 1 1 44 44 ASN H H 44 7.983 7.983 8.254 -0.271 25753 4206 1 17 . 1 1 45 45 LEU N N 45 125.712 125.712 121.417 4.295 25753 4207 1 17 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.625 -0.319 25753 4208 1 17 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.716 1.384 25753 4209 1 17 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.869 -2.802 25753 4210 1 17 . 1 1 45 45 LEU H H 45 8.193 8.193 8.351 -0.158 25753 4211 1 17 . 1 1 46 46 GLN N N 46 120.613 120.613 119.426 1.187 25753 4212 1 17 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.678 -0.013 25753 4213 1 17 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.103 -0.103 25753 4214 1 17 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.908 -0.948 25753 4215 1 17 . 1 1 46 46 GLN H H 46 8.425 8.425 8.769 -0.344 25753 4216 1 17 . 1 1 47 47 CYS N N 47 122.193 122.193 122.486 -0.293 25753 4217 1 17 . 1 1 47 47 CYS HA H 47 4.803 4.803 5.033 -0.230 25753 4218 1 17 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.534 -3.834 25753 4219 1 17 . 1 1 47 47 CYS CB C 47 38.000 38.000 26.598 11.402 25753 4220 1 17 . 1 1 47 47 CYS H H 47 9.198 9.198 8.877 0.321 25753 4221 1 17 . 1 1 48 48 ILE N N 48 129.093 129.093 125.201 3.892 25753 4222 1 17 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.328 -0.028 25753 4223 1 17 . 1 1 48 48 ILE CA C 48 60.200 60.200 60.032 0.168 25753 4224 1 17 . 1 1 48 48 ILE CB C 48 38.100 38.100 38.150 -0.050 25753 4225 1 17 . 1 1 48 48 ILE H H 48 8.696 8.696 8.169 0.527 25753 4226 1 17 . 1 1 49 49 CYS N N 49 126.279 126.279 125.852 0.427 25753 4227 1 17 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.358 0.909 25753 4228 1 17 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.760 -7.372 25753 4229 1 17 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.797 5.750 25753 4230 1 17 . 1 1 49 49 CYS H H 49 8.555 8.555 9.000 -0.445 25753 4231 1 17 . 1 1 50 50 ASP N N 50 122.491 122.491 118.929 3.562 25753 4232 1 17 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.912 0.551 25753 4233 1 17 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.951 -1.851 25753 4234 1 17 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.814 -1.768 25753 4235 1 17 . 1 1 50 50 ASP H H 50 8.813 8.813 8.504 0.309 25753 4236 1 17 . 1 1 51 51 TYR N N 51 124.921 124.921 120.517 4.404 25753 4237 1 17 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.804 -0.604 25753 4238 1 17 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.735 1.365 25753 4239 1 17 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.355 -0.855 25753 4240 1 17 . 1 1 51 51 TYR H H 51 9.633 9.633 8.565 1.068 25753 4241 1 17 . 1 1 52 52 CYS N N 52 120.435 120.435 117.181 3.254 25753 4242 1 17 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.751 -0.337 25753 4243 1 17 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.647 -2.847 25753 4244 1 17 . 1 1 52 52 CYS CB C 52 44.000 44.000 31.050 12.950 25753 4245 1 17 . 1 1 52 52 CYS H H 52 9.550 9.550 8.132 1.418 25753 4246 1 17 . 1 1 53 53 GLU N N 53 120.972 120.972 118.426 2.546 25753 4247 1 17 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.649 -0.402 25753 4248 1 17 . 1 1 53 53 GLU CA C 53 55.300 55.300 56.068 -0.768 25753 4249 1 17 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.213 -0.140 25753 4250 1 17 . 1 1 53 53 GLU H H 53 8.335 8.335 8.405 -0.070 25753 4251 1 18 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.347 -0.077 25753 4252 1 18 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.565 0.646 25753 4253 1 18 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.988 -0.666 25753 4254 1 18 . 1 1 3 3 LYS H H 3 8.214 8.214 8.156 0.058 25753 4255 1 18 . 1 1 4 4 CYS N N 4 116.570 116.570 120.128 -3.558 25753 4256 1 18 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.337 0.357 25753 4257 1 18 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.636 -3.864 25753 4258 1 18 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.175 14.425 25753 4259 1 18 . 1 1 4 4 CYS H H 4 8.430 8.430 8.366 0.064 25753 4260 1 18 . 1 1 5 5 LYS N N 5 118.500 118.500 120.144 -1.644 25753 4261 1 18 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.647 0.855 25753 4262 1 18 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.369 -1.803 25753 4263 1 18 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.581 0.719 25753 4264 1 18 . 1 1 5 5 LYS H H 5 7.965 7.965 8.005 -0.040 25753 4265 1 18 . 1 1 6 6 LYS N N 6 121.002 121.002 122.822 -1.820 25753 4266 1 18 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.505 0.208 25753 4267 1 18 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.145 0.855 25753 4268 1 18 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.017 0.556 25753 4269 1 18 . 1 1 6 6 LYS H H 6 8.980 8.980 7.920 1.060 25753 4270 1 18 . 1 1 7 7 VAL N N 7 127.157 127.157 122.787 4.370 25753 4271 1 18 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.996 -0.083 25753 4272 1 18 . 1 1 7 7 VAL CA C 7 63.400 63.400 61.771 1.629 25753 4273 1 18 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.736 -0.072 25753 4274 1 18 . 1 1 7 7 VAL H H 7 8.756 8.756 8.475 0.281 25753 4275 1 18 . 1 1 8 8 TYR N N 8 129.707 129.707 129.699 0.008 25753 4276 1 18 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.318 0.065 25753 4277 1 18 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.703 -3.553 25753 4278 1 18 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.533 -3.912 25753 4279 1 18 . 1 1 8 8 TYR H H 8 9.160 9.160 7.942 1.218 25753 4280 1 18 . 1 1 9 9 GLU N N 9 130.601 130.601 122.969 7.632 25753 4281 1 18 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.100 0.020 25753 4282 1 18 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.685 -0.787 25753 4283 1 18 . 1 1 9 9 GLU CB C 9 29.013 29.013 29.965 -0.952 25753 4284 1 18 . 1 1 9 9 GLU H H 9 8.964 8.964 8.860 0.104 25753 4285 1 18 . 1 1 10 10 ASN N N 10 115.766 115.766 115.816 -0.050 25753 4286 1 18 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.852 -0.487 25753 4287 1 18 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.041 1.159 25753 4288 1 18 . 1 1 10 10 ASN CB C 10 36.960 36.960 39.455 -2.495 25753 4289 1 18 . 1 1 10 10 ASN H H 10 9.232 9.232 8.227 1.005 25753 4290 1 18 . 1 1 11 11 TYR N N 11 122.267 122.267 122.111 0.156 25753 4291 1 18 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.698 -0.563 25753 4292 1 18 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.923 2.024 25753 4293 1 18 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.104 -0.999 25753 4294 1 18 . 1 1 11 11 TYR H H 11 7.473 7.473 8.422 -0.949 25753 4295 1 18 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.578 -0.146 25753 4296 1 18 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.787 -0.940 25753 4297 1 18 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.637 -2.387 25753 4298 1 18 . 1 1 13 13 VAL N N 13 123.595 123.595 125.191 -1.596 25753 4299 1 18 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.667 0.087 25753 4300 1 18 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.195 0.304 25753 4301 1 18 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.835 -0.724 25753 4302 1 18 . 1 1 13 13 VAL H H 13 8.102 8.102 8.614 -0.512 25753 4303 1 18 . 1 1 14 14 SER N N 14 116.945 116.945 115.283 1.662 25753 4304 1 18 . 1 1 14 14 SER HA H 14 4.119 4.119 4.298 -0.179 25753 4305 1 18 . 1 1 14 14 SER CA C 14 61.050 61.050 61.277 -0.227 25753 4306 1 18 . 1 1 14 14 SER CB C 14 61.239 61.239 62.874 -1.635 25753 4307 1 18 . 1 1 14 14 SER H H 14 8.387 8.387 8.346 0.041 25753 4308 1 18 . 1 1 15 15 LYS N N 15 121.073 121.073 122.329 -1.256 25753 4309 1 18 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.247 -0.178 25753 4310 1 18 . 1 1 15 15 LYS CA C 15 59.300 59.300 57.732 1.568 25753 4311 1 18 . 1 1 15 15 LYS CB C 15 31.235 31.235 31.551 -0.316 25753 4312 1 18 . 1 1 15 15 LYS H H 15 7.821 7.821 7.653 0.168 25753 4313 1 18 . 1 1 16 16 CYS N N 16 115.469 115.469 119.040 -3.571 25753 4314 1 18 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.291 0.445 25753 4315 1 18 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.207 -3.407 25753 4316 1 18 . 1 1 16 16 CYS CB C 16 40.254 40.254 26.035 14.219 25753 4317 1 18 . 1 1 16 16 CYS H H 16 7.844 7.844 7.587 0.257 25753 4318 1 18 . 1 1 17 17 GLN N N 17 115.128 115.128 117.259 -2.131 25753 4319 1 18 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.053 0.160 25753 4320 1 18 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.656 -1.556 25753 4321 1 18 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.958 -0.358 25753 4322 1 18 . 1 1 17 17 GLN H H 17 7.381 7.381 7.597 -0.216 25753 4323 1 18 . 1 1 18 18 LEU N N 18 120.972 120.972 119.935 1.037 25753 4324 1 18 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.643 -0.137 25753 4325 1 18 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.129 0.171 25753 4326 1 18 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.073 0.021 25753 4327 1 18 . 1 1 18 18 LEU H H 18 7.286 7.286 7.899 -0.613 25753 4328 1 18 . 1 1 19 19 ALA N N 19 127.694 127.694 129.327 -1.633 25753 4329 1 18 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.975 0.140 25753 4330 1 18 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.406 -1.806 25753 4331 1 18 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.441 -0.541 25753 4332 1 18 . 1 1 19 19 ALA H H 19 8.556 8.556 9.000 -0.444 25753 4333 1 18 . 1 1 20 20 ASN N N 20 116.006 116.006 114.812 1.194 25753 4334 1 18 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.490 0.138 25753 4335 1 18 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.904 -1.204 25753 4336 1 18 . 1 1 20 20 ASN CB C 20 38.993 38.993 38.013 0.980 25753 4337 1 18 . 1 1 20 20 ASN H H 20 9.044 9.044 8.738 0.306 25753 4338 1 18 . 1 1 21 21 GLN N N 21 122.731 122.731 120.779 1.952 25753 4339 1 18 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.346 -0.515 25753 4340 1 18 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.063 0.137 25753 4341 1 18 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.080 0.010 25753 4342 1 18 . 1 1 21 21 GLN H H 21 7.662 7.662 7.955 -0.293 25753 4343 1 18 . 1 1 22 22 CYS N N 22 118.925 118.925 120.281 -1.356 25753 4344 1 18 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.172 0.091 25753 4345 1 18 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.711 -5.611 25753 4346 1 18 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.413 12.087 25753 4347 1 18 . 1 1 22 22 CYS H H 22 8.475 8.475 8.022 0.453 25753 4348 1 18 . 1 1 23 23 ASN N N 23 118.714 118.714 117.936 0.778 25753 4349 1 18 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.415 -0.609 25753 4350 1 18 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.163 0.238 25753 4351 1 18 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.444 0.587 25753 4352 1 18 . 1 1 23 23 ASN H H 23 7.972 7.972 8.208 -0.236 25753 4353 1 18 . 1 1 24 24 TYR N N 24 117.828 117.828 119.995 -2.167 25753 4354 1 18 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.113 -0.199 25753 4355 1 18 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.423 -0.223 25753 4356 1 18 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.371 -0.288 25753 4357 1 18 . 1 1 24 24 TYR H H 24 8.107 8.107 7.719 0.388 25753 4358 1 18 . 1 1 25 25 ASP N N 25 119.620 119.620 117.150 2.470 25753 4359 1 18 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.396 0.233 25753 4360 1 18 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.647 0.754 25753 4361 1 18 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.924 -1.624 25753 4362 1 18 . 1 1 25 25 ASP H H 25 9.064 9.064 8.385 0.679 25753 4363 1 18 . 1 1 26 26 CYS N N 26 120.031 120.031 120.482 -0.451 25753 4364 1 18 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.219 -0.114 25753 4365 1 18 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.659 -1.459 25753 4366 1 18 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.495 10.105 25753 4367 1 18 . 1 1 26 26 CYS H H 26 9.280 9.280 8.388 0.892 25753 4368 1 18 . 1 1 27 27 LYS N N 27 119.838 119.838 118.936 0.902 25753 4369 1 18 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.188 -0.084 25753 4370 1 18 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.983 1.317 25753 4371 1 18 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.029 0.172 25753 4372 1 18 . 1 1 27 27 LYS H H 27 7.646 7.646 8.481 -0.835 25753 4373 1 18 . 1 1 28 28 LEU N N 28 119.791 119.791 121.666 -1.875 25753 4374 1 18 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.277 -0.242 25753 4375 1 18 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.501 -0.301 25753 4376 1 18 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.544 -0.552 25753 4377 1 18 . 1 1 28 28 LEU H H 28 8.257 8.257 7.833 0.424 25753 4378 1 18 . 1 1 29 29 ASP N N 29 116.737 116.737 120.058 -3.321 25753 4379 1 18 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.662 -0.186 25753 4380 1 18 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.669 -1.072 25753 4381 1 18 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.391 -1.091 25753 4382 1 18 . 1 1 29 29 ASP H H 29 8.977 8.977 8.659 0.318 25753 4383 1 18 . 1 1 30 30 LYS N N 30 111.907 111.907 116.695 -4.788 25753 4384 1 18 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.261 0.220 25753 4385 1 18 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.263 -3.284 25753 4386 1 18 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.000 -1.516 25753 4387 1 18 . 1 1 30 30 LYS H H 30 6.618 6.618 7.741 -1.123 25753 4388 1 18 . 1 1 31 31 HIS N N 31 112.966 112.966 115.891 -2.925 25753 4389 1 18 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.265 0.277 25753 4390 1 18 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.886 -0.986 25753 4391 1 18 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.161 -2.694 25753 4392 1 18 . 1 1 31 31 HIS H H 31 7.013 7.013 7.875 -0.862 25753 4393 1 18 . 1 1 32 32 ALA N N 32 120.001 120.001 119.356 0.645 25753 4394 1 18 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.667 0.388 25753 4395 1 18 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.527 -1.127 25753 4396 1 18 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.642 -0.742 25753 4397 1 18 . 1 1 32 32 ALA H H 32 7.644 7.644 7.203 0.441 25753 4398 1 18 . 1 1 33 33 ARG N N 33 116.588 116.588 120.271 -3.683 25753 4399 1 18 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.957 0.180 25753 4400 1 18 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.670 -0.772 25753 4401 1 18 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.669 -0.282 25753 4402 1 18 . 1 1 33 33 ARG H H 33 8.254 8.254 8.281 -0.027 25753 4403 1 18 . 1 1 34 34 SER N N 34 109.178 109.178 109.350 -0.172 25753 4404 1 18 . 1 1 34 34 SER HA H 34 4.593 4.593 5.071 -0.478 25753 4405 1 18 . 1 1 34 34 SER CA C 34 57.500 57.500 57.103 0.397 25753 4406 1 18 . 1 1 34 34 SER CB C 34 64.825 64.825 67.037 -2.212 25753 4407 1 18 . 1 1 34 34 SER H H 34 7.989 7.989 7.740 0.249 25753 4408 1 18 . 1 1 35 35 GLY N N 35 107.345 107.345 106.905 0.440 25753 4409 1 18 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.853 0.847 25753 4410 1 18 . 1 1 35 35 GLY H H 35 8.633 8.633 8.407 0.226 25753 4411 1 18 . 1 1 36 36 GLU N N 36 118.288 118.288 121.468 -3.180 25753 4412 1 18 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.801 -0.509 25753 4413 1 18 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.845 0.355 25753 4414 1 18 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.243 -1.579 25753 4415 1 18 . 1 1 36 36 GLU H H 36 8.236 8.236 8.682 -0.446 25753 4416 1 18 . 1 1 37 37 CYS N N 37 120.776 120.776 118.375 2.401 25753 4417 1 18 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.872 1.131 25753 4418 1 18 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.399 -2.199 25753 4419 1 18 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.012 17.688 25753 4420 1 18 . 1 1 37 37 CYS H H 37 8.856 8.856 8.463 0.393 25753 4421 1 18 . 1 1 38 38 PHE N N 38 121.520 121.520 123.158 -1.638 25753 4422 1 18 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.822 -0.135 25753 4423 1 18 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.599 0.901 25753 4424 1 18 . 1 1 38 38 PHE CB C 38 43.013 43.013 43.337 -0.324 25753 4425 1 18 . 1 1 38 38 PHE H H 38 9.082 9.082 9.111 -0.029 25753 4426 1 18 . 1 1 39 39 TYR N N 39 122.581 122.581 123.558 -0.977 25753 4427 1 18 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 4428 1 18 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.238 0.562 25753 4429 1 18 . 1 1 39 39 TYR CB C 39 38.100 38.100 38.107 -0.007 25753 4430 1 18 . 1 1 39 39 TYR H H 39 8.683 8.683 8.478 0.205 25753 4431 1 18 . 1 1 40 40 LYS N N 40 126.022 126.022 125.075 0.947 25753 4432 1 18 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.608 -0.289 25753 4433 1 18 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.761 0.939 25753 4434 1 18 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.411 -1.611 25753 4435 1 18 . 1 1 40 40 LYS H H 40 8.319 8.319 8.413 -0.094 25753 4436 1 18 . 1 1 41 41 GLU N N 41 120.017 120.017 118.804 1.213 25753 4437 1 18 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.101 0.026 25753 4438 1 18 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.121 -1.321 25753 4439 1 18 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.921 -0.858 25753 4440 1 18 . 1 1 41 41 GLU H H 41 8.657 8.657 8.624 0.033 25753 4441 1 18 . 1 1 42 42 LYS N N 42 116.887 116.887 120.056 -3.169 25753 4442 1 18 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.189 -0.397 25753 4443 1 18 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.125 -0.425 25753 4444 1 18 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.544 -1.744 25753 4445 1 18 . 1 1 42 42 LYS H H 42 8.468 8.468 8.440 0.028 25753 4446 1 18 . 1 1 43 43 ARG N N 43 115.559 115.559 115.181 0.378 25753 4447 1 18 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.546 -0.320 25753 4448 1 18 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.885 0.115 25753 4449 1 18 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.856 -2.056 25753 4450 1 18 . 1 1 43 43 ARG H H 43 8.165 8.165 7.931 0.234 25753 4451 1 18 . 1 1 44 44 ASN N N 44 117.868 117.868 119.241 -1.373 25753 4452 1 18 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.625 0.256 25753 4453 1 18 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.098 -1.698 25753 4454 1 18 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.296 -0.096 25753 4455 1 18 . 1 1 44 44 ASN H H 44 7.983 7.983 7.906 0.077 25753 4456 1 18 . 1 1 45 45 LEU N N 45 125.712 125.712 121.444 4.268 25753 4457 1 18 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.616 -0.310 25753 4458 1 18 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.729 1.371 25753 4459 1 18 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.813 -2.746 25753 4460 1 18 . 1 1 45 45 LEU H H 45 8.193 8.193 8.371 -0.178 25753 4461 1 18 . 1 1 46 46 GLN N N 46 120.613 120.613 119.281 1.332 25753 4462 1 18 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.690 -0.025 25753 4463 1 18 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.152 -0.152 25753 4464 1 18 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.989 -1.028 25753 4465 1 18 . 1 1 46 46 GLN H H 46 8.425 8.425 8.814 -0.389 25753 4466 1 18 . 1 1 47 47 CYS N N 47 122.193 122.193 122.186 0.007 25753 4467 1 18 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.984 -0.181 25753 4468 1 18 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.524 -3.824 25753 4469 1 18 . 1 1 47 47 CYS CB C 47 38.000 38.000 26.780 11.220 25753 4470 1 18 . 1 1 47 47 CYS H H 47 9.198 9.198 8.910 0.288 25753 4471 1 18 . 1 1 48 48 ILE N N 48 129.093 129.093 125.267 3.826 25753 4472 1 18 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.436 -0.136 25753 4473 1 18 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.885 0.315 25753 4474 1 18 . 1 1 48 48 ILE CB C 48 38.100 38.100 38.068 0.032 25753 4475 1 18 . 1 1 48 48 ILE H H 48 8.696 8.696 8.168 0.528 25753 4476 1 18 . 1 1 49 49 CYS N N 49 126.279 126.279 125.945 0.334 25753 4477 1 18 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.369 0.898 25753 4478 1 18 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.892 -7.505 25753 4479 1 18 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.940 5.607 25753 4480 1 18 . 1 1 49 49 CYS H H 49 8.555 8.555 9.061 -0.506 25753 4481 1 18 . 1 1 50 50 ASP N N 50 122.491 122.491 118.914 3.577 25753 4482 1 18 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.979 0.484 25753 4483 1 18 . 1 1 50 50 ASP CA C 50 52.100 52.100 54.089 -1.989 25753 4484 1 18 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.509 -1.463 25753 4485 1 18 . 1 1 50 50 ASP H H 50 8.813 8.813 8.613 0.200 25753 4486 1 18 . 1 1 51 51 TYR N N 51 124.921 124.921 122.903 2.018 25753 4487 1 18 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.850 -0.650 25753 4488 1 18 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.304 1.796 25753 4489 1 18 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.545 -0.045 25753 4490 1 18 . 1 1 51 51 TYR H H 51 9.633 9.633 7.902 1.731 25753 4491 1 18 . 1 1 52 52 CYS N N 52 120.435 120.435 113.941 6.494 25753 4492 1 18 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.842 -0.428 25753 4493 1 18 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.806 -3.006 25753 4494 1 18 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.959 14.041 25753 4495 1 18 . 1 1 52 52 CYS H H 52 9.550 9.550 7.781 1.769 25753 4496 1 18 . 1 1 53 53 GLU N N 53 120.972 120.972 119.499 1.473 25753 4497 1 18 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.460 -0.213 25753 4498 1 18 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.641 -0.341 25753 4499 1 18 . 1 1 53 53 GLU CB C 53 31.073 31.073 31.050 0.023 25753 4500 1 18 . 1 1 53 53 GLU H H 53 8.335 8.335 8.455 -0.120 25753 4501 1 19 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.372 -0.102 25753 4502 1 19 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.814 0.397 25753 4503 1 19 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.156 -0.834 25753 4504 1 19 . 1 1 3 3 LYS H H 3 8.214 8.214 8.233 -0.019 25753 4505 1 19 . 1 1 4 4 CYS N N 4 116.570 116.570 117.955 -1.385 25753 4506 1 19 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.311 0.383 25753 4507 1 19 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.239 -3.467 25753 4508 1 19 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.299 15.301 25753 4509 1 19 . 1 1 4 4 CYS H H 4 8.430 8.430 8.532 -0.102 25753 4510 1 19 . 1 1 5 5 LYS N N 5 118.500 118.500 118.718 -0.218 25753 4511 1 19 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.477 1.025 25753 4512 1 19 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.169 -1.603 25753 4513 1 19 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.562 0.738 25753 4514 1 19 . 1 1 5 5 LYS H H 5 7.965 7.965 7.811 0.154 25753 4515 1 19 . 1 1 6 6 LYS N N 6 121.002 121.002 121.665 -0.663 25753 4516 1 19 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.550 0.163 25753 4517 1 19 . 1 1 6 6 LYS CA C 6 55.000 55.000 55.221 -0.222 25753 4518 1 19 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.526 1.048 25753 4519 1 19 . 1 1 6 6 LYS H H 6 8.980 8.980 7.973 1.007 25753 4520 1 19 . 1 1 7 7 VAL N N 7 127.157 127.157 124.284 2.873 25753 4521 1 19 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.860 0.053 25753 4522 1 19 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.902 0.498 25753 4523 1 19 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.859 -0.195 25753 4524 1 19 . 1 1 7 7 VAL H H 7 8.756 8.756 8.531 0.225 25753 4525 1 19 . 1 1 8 8 TYR N N 8 129.707 129.707 129.459 0.248 25753 4526 1 19 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.324 0.059 25753 4527 1 19 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.940 -3.790 25753 4528 1 19 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.813 -4.192 25753 4529 1 19 . 1 1 8 8 TYR H H 8 9.160 9.160 8.202 0.958 25753 4530 1 19 . 1 1 9 9 GLU N N 9 130.601 130.601 123.207 7.394 25753 4531 1 19 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.057 0.063 25753 4532 1 19 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.902 -1.004 25753 4533 1 19 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.032 -1.019 25753 4534 1 19 . 1 1 9 9 GLU H H 9 8.964 8.964 8.788 0.176 25753 4535 1 19 . 1 1 10 10 ASN N N 10 115.766 115.766 114.453 1.313 25753 4536 1 19 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.823 -0.458 25753 4537 1 19 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.315 0.885 25753 4538 1 19 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.821 -1.861 25753 4539 1 19 . 1 1 10 10 ASN H H 10 9.232 9.232 8.171 1.061 25753 4540 1 19 . 1 1 11 11 TYR N N 11 122.267 122.267 123.637 -1.370 25753 4541 1 19 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.661 -0.526 25753 4542 1 19 . 1 1 11 11 TYR CA C 11 56.947 56.947 55.140 1.807 25753 4543 1 19 . 1 1 11 11 TYR CB C 11 39.105 39.105 40.443 -1.338 25753 4544 1 19 . 1 1 11 11 TYR H H 11 7.473 7.473 8.740 -1.267 25753 4545 1 19 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.552 -0.120 25753 4546 1 19 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.644 -0.797 25753 4547 1 19 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.443 -2.193 25753 4548 1 19 . 1 1 13 13 VAL N N 13 123.595 123.595 124.749 -1.154 25753 4549 1 19 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.704 0.050 25753 4550 1 19 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.846 0.654 25753 4551 1 19 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.739 -0.628 25753 4552 1 19 . 1 1 13 13 VAL H H 13 8.102 8.102 8.524 -0.422 25753 4553 1 19 . 1 1 14 14 SER N N 14 116.945 116.945 113.477 3.468 25753 4554 1 19 . 1 1 14 14 SER HA H 14 4.119 4.119 4.191 -0.072 25753 4555 1 19 . 1 1 14 14 SER CA C 14 61.050 61.050 61.034 0.016 25753 4556 1 19 . 1 1 14 14 SER CB C 14 61.239 61.239 62.926 -1.688 25753 4557 1 19 . 1 1 14 14 SER H H 14 8.387 8.387 8.420 -0.033 25753 4558 1 19 . 1 1 15 15 LYS N N 15 121.073 121.073 120.049 1.024 25753 4559 1 19 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.202 -0.133 25753 4560 1 19 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.741 0.559 25753 4561 1 19 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.636 -1.401 25753 4562 1 19 . 1 1 15 15 LYS H H 15 7.821 7.821 7.578 0.243 25753 4563 1 19 . 1 1 16 16 CYS N N 16 115.469 115.469 119.524 -4.055 25753 4564 1 19 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.313 0.423 25753 4565 1 19 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.386 -3.586 25753 4566 1 19 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.863 14.391 25753 4567 1 19 . 1 1 16 16 CYS H H 16 7.844 7.844 7.620 0.224 25753 4568 1 19 . 1 1 17 17 GLN N N 17 115.128 115.128 117.125 -1.997 25753 4569 1 19 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.038 0.175 25753 4570 1 19 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.851 -1.751 25753 4571 1 19 . 1 1 17 17 GLN CB C 17 28.600 28.600 29.017 -0.417 25753 4572 1 19 . 1 1 17 17 GLN H H 17 7.381 7.381 7.689 -0.308 25753 4573 1 19 . 1 1 18 18 LEU N N 18 120.972 120.972 119.740 1.232 25753 4574 1 19 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.609 -0.103 25753 4575 1 19 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.076 0.224 25753 4576 1 19 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.240 -0.146 25753 4577 1 19 . 1 1 18 18 LEU H H 18 7.286 7.286 7.659 -0.373 25753 4578 1 19 . 1 1 19 19 ALA N N 19 127.694 127.694 129.598 -1.904 25753 4579 1 19 . 1 1 19 19 ALA HA H 19 4.115 4.115 3.955 0.160 25753 4580 1 19 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.511 -1.911 25753 4581 1 19 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.377 -0.477 25753 4582 1 19 . 1 1 19 19 ALA H H 19 8.556 8.556 8.974 -0.418 25753 4583 1 19 . 1 1 20 20 ASN N N 20 116.006 116.006 114.274 1.732 25753 4584 1 19 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.515 0.113 25753 4585 1 19 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.850 -1.151 25753 4586 1 19 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.735 1.258 25753 4587 1 19 . 1 1 20 20 ASN H H 20 9.044 9.044 8.746 0.298 25753 4588 1 19 . 1 1 21 21 GLN N N 21 122.731 122.731 120.598 2.133 25753 4589 1 19 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.445 -0.614 25753 4590 1 19 . 1 1 21 21 GLN CA C 21 59.200 59.200 58.602 0.598 25753 4591 1 19 . 1 1 21 21 GLN CB C 21 29.090 29.090 29.337 -0.247 25753 4592 1 19 . 1 1 21 21 GLN H H 21 7.662 7.662 8.002 -0.340 25753 4593 1 19 . 1 1 22 22 CYS N N 22 118.925 118.925 120.425 -1.500 25753 4594 1 19 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.084 0.179 25753 4595 1 19 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.825 -5.724 25753 4596 1 19 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.536 11.964 25753 4597 1 19 . 1 1 22 22 CYS H H 22 8.475 8.475 8.118 0.357 25753 4598 1 19 . 1 1 23 23 ASN N N 23 118.714 118.714 117.872 0.842 25753 4599 1 19 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.449 -0.643 25753 4600 1 19 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.347 0.053 25753 4601 1 19 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.364 0.667 25753 4602 1 19 . 1 1 23 23 ASN H H 23 7.972 7.972 8.215 -0.243 25753 4603 1 19 . 1 1 24 24 TYR N N 24 117.828 117.828 119.749 -1.921 25753 4604 1 19 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.141 -0.227 25753 4605 1 19 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.413 -0.213 25753 4606 1 19 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.274 -0.191 25753 4607 1 19 . 1 1 24 24 TYR H H 24 8.107 8.107 7.671 0.436 25753 4608 1 19 . 1 1 25 25 ASP N N 25 119.620 119.620 117.680 1.940 25753 4609 1 19 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.238 0.391 25753 4610 1 19 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.944 0.456 25753 4611 1 19 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.267 -0.967 25753 4612 1 19 . 1 1 25 25 ASP H H 25 9.064 9.064 8.580 0.484 25753 4613 1 19 . 1 1 26 26 CYS N N 26 120.031 120.031 119.665 0.366 25753 4614 1 19 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.213 -0.108 25753 4615 1 19 . 1 1 26 26 CYS CA C 26 60.200 60.200 62.292 -2.092 25753 4616 1 19 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.731 9.869 25753 4617 1 19 . 1 1 26 26 CYS H H 26 9.280 9.280 8.507 0.773 25753 4618 1 19 . 1 1 27 27 LYS N N 27 119.838 119.838 118.578 1.260 25753 4619 1 19 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.515 -0.411 25753 4620 1 19 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.181 1.119 25753 4621 1 19 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.285 -0.085 25753 4622 1 19 . 1 1 27 27 LYS H H 27 7.646 7.646 8.373 -0.728 25753 4623 1 19 . 1 1 28 28 LEU N N 28 119.791 119.791 120.621 -0.830 25753 4624 1 19 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.134 -0.099 25753 4625 1 19 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.397 -0.197 25753 4626 1 19 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.847 -0.855 25753 4627 1 19 . 1 1 28 28 LEU H H 28 8.257 8.257 7.345 0.912 25753 4628 1 19 . 1 1 29 29 ASP N N 29 116.737 116.737 118.971 -2.234 25753 4629 1 19 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.502 -0.026 25753 4630 1 19 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.585 -0.988 25753 4631 1 19 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.004 -0.704 25753 4632 1 19 . 1 1 29 29 ASP H H 29 8.977 8.977 8.446 0.531 25753 4633 1 19 . 1 1 30 30 LYS N N 30 111.907 111.907 116.128 -4.221 25753 4634 1 19 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.284 0.197 25753 4635 1 19 . 1 1 30 30 LYS CA C 30 52.979 52.979 55.884 -2.905 25753 4636 1 19 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.966 -1.482 25753 4637 1 19 . 1 1 30 30 LYS H H 30 6.618 6.618 7.642 -1.024 25753 4638 1 19 . 1 1 31 31 HIS N N 31 112.966 112.966 115.178 -2.212 25753 4639 1 19 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.300 0.242 25753 4640 1 19 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.238 -0.338 25753 4641 1 19 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.395 -2.928 25753 4642 1 19 . 1 1 31 31 HIS H H 31 7.013 7.013 7.524 -0.511 25753 4643 1 19 . 1 1 32 32 ALA N N 32 120.001 120.001 119.966 0.035 25753 4644 1 19 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.864 0.191 25753 4645 1 19 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.657 -1.257 25753 4646 1 19 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.683 -0.783 25753 4647 1 19 . 1 1 32 32 ALA H H 32 7.644 7.644 7.608 0.036 25753 4648 1 19 . 1 1 33 33 ARG N N 33 116.588 116.588 121.359 -4.771 25753 4649 1 19 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.975 0.162 25753 4650 1 19 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.941 -1.043 25753 4651 1 19 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.466 -0.079 25753 4652 1 19 . 1 1 33 33 ARG H H 33 8.254 8.254 8.249 0.004 25753 4653 1 19 . 1 1 34 34 SER N N 34 109.178 109.178 108.382 0.796 25753 4654 1 19 . 1 1 34 34 SER HA H 34 4.593 4.593 4.588 0.005 25753 4655 1 19 . 1 1 34 34 SER CA C 34 57.500 57.500 57.609 -0.109 25753 4656 1 19 . 1 1 34 34 SER CB C 34 64.825 64.825 66.043 -1.218 25753 4657 1 19 . 1 1 34 34 SER H H 34 7.989 7.989 7.649 0.340 25753 4658 1 19 . 1 1 35 35 GLY N N 35 107.345 107.345 107.516 -0.171 25753 4659 1 19 . 1 1 35 35 GLY CA C 35 46.700 46.700 46.000 0.700 25753 4660 1 19 . 1 1 35 35 GLY H H 35 8.633 8.633 8.745 -0.112 25753 4661 1 19 . 1 1 36 36 GLU N N 36 118.288 118.288 122.164 -3.876 25753 4662 1 19 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.799 -0.507 25753 4663 1 19 . 1 1 36 36 GLU CA C 36 55.200 55.200 55.591 -0.391 25753 4664 1 19 . 1 1 36 36 GLU CB C 36 32.664 32.664 33.835 -1.171 25753 4665 1 19 . 1 1 36 36 GLU H H 36 8.236 8.236 8.214 0.022 25753 4666 1 19 . 1 1 37 37 CYS N N 37 120.776 120.776 118.781 1.995 25753 4667 1 19 . 1 1 37 37 CYS HA H 37 6.003 6.003 4.931 1.072 25753 4668 1 19 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.335 -2.135 25753 4669 1 19 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.192 17.508 25753 4670 1 19 . 1 1 37 37 CYS H H 37 8.856 8.856 8.630 0.226 25753 4671 1 19 . 1 1 38 38 PHE N N 38 121.520 121.520 122.244 -0.724 25753 4672 1 19 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.845 -0.158 25753 4673 1 19 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.731 0.769 25753 4674 1 19 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.325 0.688 25753 4675 1 19 . 1 1 38 38 PHE H H 38 9.082 9.082 9.019 0.063 25753 4676 1 19 . 1 1 39 39 TYR N N 39 122.581 122.581 122.004 0.577 25753 4677 1 19 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.727 -0.115 25753 4678 1 19 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.224 0.576 25753 4679 1 19 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.839 0.261 25753 4680 1 19 . 1 1 39 39 TYR H H 39 8.683 8.683 8.659 0.024 25753 4681 1 19 . 1 1 40 40 LYS N N 40 126.022 126.022 124.463 1.559 25753 4682 1 19 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.496 -0.177 25753 4683 1 19 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.827 -0.127 25753 4684 1 19 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.295 -1.496 25753 4685 1 19 . 1 1 40 40 LYS H H 40 8.319 8.319 8.555 -0.236 25753 4686 1 19 . 1 1 41 41 GLU N N 41 120.017 120.017 118.786 1.231 25753 4687 1 19 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.113 0.014 25753 4688 1 19 . 1 1 41 41 GLU CA C 41 56.800 56.800 57.747 -0.947 25753 4689 1 19 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.169 -0.106 25753 4690 1 19 . 1 1 41 41 GLU H H 41 8.657 8.657 8.570 0.087 25753 4691 1 19 . 1 1 42 42 LYS N N 42 116.887 116.887 121.238 -4.351 25753 4692 1 19 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.195 -0.403 25753 4693 1 19 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.120 -0.420 25753 4694 1 19 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.579 -1.779 25753 4695 1 19 . 1 1 42 42 LYS H H 42 8.468 8.468 8.303 0.165 25753 4696 1 19 . 1 1 43 43 ARG N N 43 115.559 115.559 116.522 -0.963 25753 4697 1 19 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.407 -0.181 25753 4698 1 19 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.964 0.036 25753 4699 1 19 . 1 1 43 43 ARG CB C 43 29.800 29.800 30.989 -1.189 25753 4700 1 19 . 1 1 43 43 ARG H H 43 8.165 8.165 8.005 0.160 25753 4701 1 19 . 1 1 44 44 ASN N N 44 117.868 117.868 118.516 -0.648 25753 4702 1 19 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.626 0.255 25753 4703 1 19 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.182 -1.782 25753 4704 1 19 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.288 -0.088 25753 4705 1 19 . 1 1 44 44 ASN H H 44 7.983 7.983 7.990 -0.007 25753 4706 1 19 . 1 1 45 45 LEU N N 45 125.712 125.712 120.304 5.408 25753 4707 1 19 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.549 -0.243 25753 4708 1 19 . 1 1 45 45 LEU CA C 45 55.100 55.100 54.057 1.042 25753 4709 1 19 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.431 -2.364 25753 4710 1 19 . 1 1 45 45 LEU H H 45 8.193 8.193 8.118 0.075 25753 4711 1 19 . 1 1 46 46 GLN N N 46 120.613 120.613 119.125 1.488 25753 4712 1 19 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.685 -0.020 25753 4713 1 19 . 1 1 46 46 GLN CA C 46 54.000 54.000 53.476 0.524 25753 4714 1 19 . 1 1 46 46 GLN CB C 46 32.961 32.961 33.870 -0.909 25753 4715 1 19 . 1 1 46 46 GLN H H 46 8.425 8.425 8.919 -0.494 25753 4716 1 19 . 1 1 47 47 CYS N N 47 122.193 122.193 120.456 1.737 25753 4717 1 19 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.929 -0.126 25753 4718 1 19 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.691 -3.990 25753 4719 1 19 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.631 9.369 25753 4720 1 19 . 1 1 47 47 CYS H H 47 9.198 9.198 8.895 0.303 25753 4721 1 19 . 1 1 48 48 ILE N N 48 129.093 129.093 124.718 4.375 25753 4722 1 19 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.701 -0.401 25753 4723 1 19 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.460 0.740 25753 4724 1 19 . 1 1 48 48 ILE CB C 48 38.100 38.100 41.193 -3.092 25753 4725 1 19 . 1 1 48 48 ILE H H 48 8.696 8.696 8.931 -0.235 25753 4726 1 19 . 1 1 49 49 CYS N N 49 126.279 126.279 124.037 2.242 25753 4727 1 19 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.479 0.788 25753 4728 1 19 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.818 -7.431 25753 4729 1 19 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.283 6.264 25753 4730 1 19 . 1 1 49 49 CYS H H 49 8.555 8.555 8.917 -0.362 25753 4731 1 19 . 1 1 50 50 ASP N N 50 122.491 122.491 119.279 3.212 25753 4732 1 19 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.920 0.543 25753 4733 1 19 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.905 -1.805 25753 4734 1 19 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.045 -0.999 25753 4735 1 19 . 1 1 50 50 ASP H H 50 8.813 8.813 8.377 0.436 25753 4736 1 19 . 1 1 51 51 TYR N N 51 124.921 124.921 121.795 3.126 25753 4737 1 19 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.765 -0.565 25753 4738 1 19 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.667 1.433 25753 4739 1 19 . 1 1 51 51 TYR CB C 51 38.500 38.500 39.164 -0.664 25753 4740 1 19 . 1 1 51 51 TYR H H 51 9.633 9.633 8.032 1.601 25753 4741 1 19 . 1 1 52 52 CYS N N 52 120.435 120.435 116.877 3.558 25753 4742 1 19 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.716 -0.302 25753 4743 1 19 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.790 -2.990 25753 4744 1 19 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.930 13.070 25753 4745 1 19 . 1 1 52 52 CYS H H 52 9.550 9.550 8.086 1.464 25753 4746 1 19 . 1 1 53 53 GLU N N 53 120.972 120.972 118.805 2.167 25753 4747 1 19 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.356 -0.109 25753 4748 1 19 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.409 -0.109 25753 4749 1 19 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.535 0.538 25753 4750 1 19 . 1 1 53 53 GLU H H 53 8.335 8.335 8.252 0.083 25753 4751 1 20 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.357 -0.087 25753 4752 1 20 . 1 1 3 3 LYS CA C 3 57.211 57.211 57.285 -0.074 25753 4753 1 20 . 1 1 3 3 LYS CB C 3 32.322 32.322 33.511 -1.189 25753 4754 1 20 . 1 1 3 3 LYS H H 3 8.214 8.214 8.609 -0.395 25753 4755 1 20 . 1 1 4 4 CYS N N 4 116.570 116.570 113.724 2.846 25753 4756 1 20 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.587 0.107 25753 4757 1 20 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.255 -3.483 25753 4758 1 20 . 1 1 4 4 CYS CB C 4 41.600 41.600 27.850 13.750 25753 4759 1 20 . 1 1 4 4 CYS H H 4 8.430 8.430 8.192 0.238 25753 4760 1 20 . 1 1 5 5 LYS N N 5 118.500 118.500 122.585 -4.085 25753 4761 1 20 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.505 0.997 25753 4762 1 20 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.366 -1.800 25753 4763 1 20 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.485 0.815 25753 4764 1 20 . 1 1 5 5 LYS H H 5 7.965 7.965 8.068 -0.103 25753 4765 1 20 . 1 1 6 6 LYS N N 6 121.002 121.002 122.860 -1.858 25753 4766 1 20 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.564 0.149 25753 4767 1 20 . 1 1 6 6 LYS CA C 6 55.000 55.000 53.945 1.055 25753 4768 1 20 . 1 1 6 6 LYS CB C 6 36.573 36.573 36.133 0.440 25753 4769 1 20 . 1 1 6 6 LYS H H 6 8.980 8.980 7.757 1.223 25753 4770 1 20 . 1 1 7 7 VAL N N 7 127.157 127.157 124.781 2.376 25753 4771 1 20 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.867 0.046 25753 4772 1 20 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.800 0.600 25753 4773 1 20 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.795 -0.131 25753 4774 1 20 . 1 1 7 7 VAL H H 7 8.756 8.756 8.523 0.233 25753 4775 1 20 . 1 1 8 8 TYR N N 8 129.707 129.707 129.309 0.398 25753 4776 1 20 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.352 0.031 25753 4777 1 20 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.790 -3.640 25753 4778 1 20 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.889 -4.268 25753 4779 1 20 . 1 1 8 8 TYR H H 8 9.160 9.160 8.176 0.984 25753 4780 1 20 . 1 1 9 9 GLU N N 9 130.601 130.601 122.871 7.730 25753 4781 1 20 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.064 0.056 25753 4782 1 20 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.706 -0.808 25753 4783 1 20 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.064 -1.051 25753 4784 1 20 . 1 1 9 9 GLU H H 9 8.964 8.964 8.904 0.060 25753 4785 1 20 . 1 1 10 10 ASN N N 10 115.766 115.766 113.048 2.718 25753 4786 1 20 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.801 -0.436 25753 4787 1 20 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.415 0.785 25753 4788 1 20 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.542 -1.582 25753 4789 1 20 . 1 1 10 10 ASN H H 10 9.232 9.232 8.215 1.017 25753 4790 1 20 . 1 1 11 11 TYR N N 11 122.267 122.267 121.938 0.329 25753 4791 1 20 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.770 -0.635 25753 4792 1 20 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.824 2.123 25753 4793 1 20 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.727 -0.622 25753 4794 1 20 . 1 1 11 11 TYR H H 11 7.473 7.473 8.281 -0.808 25753 4795 1 20 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.547 -0.115 25753 4796 1 20 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.812 -0.965 25753 4797 1 20 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.561 -2.311 25753 4798 1 20 . 1 1 13 13 VAL N N 13 123.595 123.595 125.521 -1.926 25753 4799 1 20 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.705 0.049 25753 4800 1 20 . 1 1 13 13 VAL CA C 13 65.500 65.500 64.589 0.911 25753 4801 1 20 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.798 -0.687 25753 4802 1 20 . 1 1 13 13 VAL H H 13 8.102 8.102 8.533 -0.431 25753 4803 1 20 . 1 1 14 14 SER N N 14 116.945 116.945 115.034 1.911 25753 4804 1 20 . 1 1 14 14 SER HA H 14 4.119 4.119 4.256 -0.137 25753 4805 1 20 . 1 1 14 14 SER CA C 14 61.050 61.050 61.259 -0.209 25753 4806 1 20 . 1 1 14 14 SER CB C 14 61.239 61.239 62.824 -1.585 25753 4807 1 20 . 1 1 14 14 SER H H 14 8.387 8.387 8.149 0.238 25753 4808 1 20 . 1 1 15 15 LYS N N 15 121.073 121.073 121.736 -0.663 25753 4809 1 20 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.143 -0.074 25753 4810 1 20 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.727 0.573 25753 4811 1 20 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.169 -0.933 25753 4812 1 20 . 1 1 15 15 LYS H H 15 7.821 7.821 8.345 -0.524 25753 4813 1 20 . 1 1 16 16 CYS N N 16 115.469 115.469 118.654 -3.185 25753 4814 1 20 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.313 0.423 25753 4815 1 20 . 1 1 16 16 CYS CA C 16 57.800 57.800 60.846 -3.046 25753 4816 1 20 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.944 14.310 25753 4817 1 20 . 1 1 16 16 CYS H H 16 7.844 7.844 7.635 0.209 25753 4818 1 20 . 1 1 17 17 GLN N N 17 115.128 115.128 117.174 -2.046 25753 4819 1 20 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.030 0.183 25753 4820 1 20 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.487 -1.387 25753 4821 1 20 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.961 -0.361 25753 4822 1 20 . 1 1 17 17 GLN H H 17 7.381 7.381 7.497 -0.116 25753 4823 1 20 . 1 1 18 18 LEU N N 18 120.972 120.972 119.427 1.545 25753 4824 1 20 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.551 -0.045 25753 4825 1 20 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.358 -0.058 25753 4826 1 20 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.618 -0.524 25753 4827 1 20 . 1 1 18 18 LEU H H 18 7.286 7.286 7.596 -0.310 25753 4828 1 20 . 1 1 19 19 ALA N N 19 127.694 127.694 128.498 -0.804 25753 4829 1 20 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.051 0.064 25753 4830 1 20 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.706 -2.106 25753 4831 1 20 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.532 -0.632 25753 4832 1 20 . 1 1 19 19 ALA H H 19 8.556 8.556 8.960 -0.404 25753 4833 1 20 . 1 1 20 20 ASN N N 20 116.006 116.006 114.752 1.254 25753 4834 1 20 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.455 0.173 25753 4835 1 20 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.814 -1.114 25753 4836 1 20 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.481 1.512 25753 4837 1 20 . 1 1 20 20 ASN H H 20 9.044 9.044 8.764 0.280 25753 4838 1 20 . 1 1 21 21 GLN N N 21 122.731 122.731 120.437 2.294 25753 4839 1 20 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.239 -0.408 25753 4840 1 20 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.227 -0.027 25753 4841 1 20 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.603 0.487 25753 4842 1 20 . 1 1 21 21 GLN H H 21 7.662 7.662 7.408 0.254 25753 4843 1 20 . 1 1 22 22 CYS N N 22 118.925 118.925 119.903 -0.978 25753 4844 1 20 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.148 0.115 25753 4845 1 20 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.644 -5.544 25753 4846 1 20 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.372 12.128 25753 4847 1 20 . 1 1 22 22 CYS H H 22 8.475 8.475 7.857 0.618 25753 4848 1 20 . 1 1 23 23 ASN N N 23 118.714 118.714 118.185 0.529 25753 4849 1 20 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.470 -0.664 25753 4850 1 20 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.016 0.384 25753 4851 1 20 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.563 0.468 25753 4852 1 20 . 1 1 23 23 ASN H H 23 7.972 7.972 8.237 -0.265 25753 4853 1 20 . 1 1 24 24 TYR N N 24 117.828 117.828 120.176 -2.348 25753 4854 1 20 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.116 -0.202 25753 4855 1 20 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.436 -0.236 25753 4856 1 20 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.403 -0.320 25753 4857 1 20 . 1 1 24 24 TYR H H 24 8.107 8.107 7.886 0.221 25753 4858 1 20 . 1 1 25 25 ASP N N 25 119.620 119.620 117.148 2.472 25753 4859 1 20 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.305 0.324 25753 4860 1 20 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.807 0.593 25753 4861 1 20 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.950 -1.650 25753 4862 1 20 . 1 1 25 25 ASP H H 25 9.064 9.064 8.382 0.682 25753 4863 1 20 . 1 1 26 26 CYS N N 26 120.031 120.031 120.474 -0.443 25753 4864 1 20 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.242 -0.137 25753 4865 1 20 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.683 -1.483 25753 4866 1 20 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.478 10.122 25753 4867 1 20 . 1 1 26 26 CYS H H 26 9.280 9.280 8.393 0.887 25753 4868 1 20 . 1 1 27 27 LYS N N 27 119.838 119.838 119.074 0.764 25753 4869 1 20 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.202 -0.098 25753 4870 1 20 . 1 1 27 27 LYS CA C 27 59.300 59.300 57.927 1.373 25753 4871 1 20 . 1 1 27 27 LYS CB C 27 32.200 32.200 31.885 0.315 25753 4872 1 20 . 1 1 27 27 LYS H H 27 7.646 7.646 8.454 -0.808 25753 4873 1 20 . 1 1 28 28 LEU N N 28 119.791 119.791 121.338 -1.547 25753 4874 1 20 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.270 -0.235 25753 4875 1 20 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.667 -0.467 25753 4876 1 20 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.640 -0.648 25753 4877 1 20 . 1 1 28 28 LEU H H 28 8.257 8.257 7.856 0.401 25753 4878 1 20 . 1 1 29 29 ASP N N 29 116.737 116.737 119.451 -2.714 25753 4879 1 20 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.659 -0.183 25753 4880 1 20 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.351 -0.754 25753 4881 1 20 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.558 -1.258 25753 4882 1 20 . 1 1 29 29 ASP H H 29 8.977 8.977 8.545 0.432 25753 4883 1 20 . 1 1 30 30 LYS N N 30 111.907 111.907 116.691 -4.784 25753 4884 1 20 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.321 0.160 25753 4885 1 20 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.400 -3.421 25753 4886 1 20 . 1 1 30 30 LYS CB C 30 31.484 31.484 33.173 -1.689 25753 4887 1 20 . 1 1 30 30 LYS H H 30 6.618 6.618 7.827 -1.209 25753 4888 1 20 . 1 1 31 31 HIS N N 31 112.966 112.966 116.228 -3.262 25753 4889 1 20 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.294 0.248 25753 4890 1 20 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.863 -0.963 25753 4891 1 20 . 1 1 31 31 HIS CB C 31 25.467 25.467 28.367 -2.901 25753 4892 1 20 . 1 1 31 31 HIS H H 31 7.013 7.013 7.912 -0.899 25753 4893 1 20 . 1 1 32 32 ALA N N 32 120.001 120.001 119.776 0.225 25753 4894 1 20 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.970 0.085 25753 4895 1 20 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.615 -1.215 25753 4896 1 20 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.649 -0.750 25753 4897 1 20 . 1 1 32 32 ALA H H 32 7.644 7.644 7.241 0.403 25753 4898 1 20 . 1 1 33 33 ARG N N 33 116.588 116.588 120.504 -3.916 25753 4899 1 20 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.990 0.147 25753 4900 1 20 . 1 1 33 33 ARG CA C 33 57.898 57.898 59.091 -1.193 25753 4901 1 20 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.679 -0.292 25753 4902 1 20 . 1 1 33 33 ARG H H 33 8.254 8.254 8.390 -0.136 25753 4903 1 20 . 1 1 34 34 SER N N 34 109.178 109.178 108.767 0.411 25753 4904 1 20 . 1 1 34 34 SER HA H 34 4.593 4.593 5.003 -0.410 25753 4905 1 20 . 1 1 34 34 SER CA C 34 57.500 57.500 57.010 0.490 25753 4906 1 20 . 1 1 34 34 SER CB C 34 64.825 64.825 67.154 -2.329 25753 4907 1 20 . 1 1 34 34 SER H H 34 7.989 7.989 7.635 0.354 25753 4908 1 20 . 1 1 35 35 GLY N N 35 107.345 107.345 106.869 0.476 25753 4909 1 20 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.986 0.714 25753 4910 1 20 . 1 1 35 35 GLY H H 35 8.633 8.633 8.567 0.066 25753 4911 1 20 . 1 1 36 36 GLU N N 36 118.288 118.288 121.987 -3.699 25753 4912 1 20 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.912 -0.620 25753 4913 1 20 . 1 1 36 36 GLU CA C 36 55.200 55.200 53.892 1.308 25753 4914 1 20 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.606 -1.942 25753 4915 1 20 . 1 1 36 36 GLU H H 36 8.236 8.236 8.552 -0.316 25753 4916 1 20 . 1 1 37 37 CYS N N 37 120.776 120.776 118.990 1.786 25753 4917 1 20 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.163 0.840 25753 4918 1 20 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.670 -2.470 25753 4919 1 20 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.539 17.161 25753 4920 1 20 . 1 1 37 37 CYS H H 37 8.856 8.856 8.678 0.178 25753 4921 1 20 . 1 1 38 38 PHE N N 38 121.520 121.520 122.109 -0.589 25753 4922 1 20 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.854 -0.167 25753 4923 1 20 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.664 0.836 25753 4924 1 20 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.386 0.627 25753 4925 1 20 . 1 1 38 38 PHE H H 38 9.082 9.082 9.207 -0.125 25753 4926 1 20 . 1 1 39 39 TYR N N 39 122.581 122.581 122.125 0.456 25753 4927 1 20 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.706 -0.094 25753 4928 1 20 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.271 0.529 25753 4929 1 20 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.911 0.189 25753 4930 1 20 . 1 1 39 39 TYR H H 39 8.683 8.683 8.604 0.079 25753 4931 1 20 . 1 1 40 40 LYS N N 40 126.022 126.022 125.112 0.910 25753 4932 1 20 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.619 -0.300 25753 4933 1 20 . 1 1 40 40 LYS CA C 40 55.700 55.700 54.882 0.818 25753 4934 1 20 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.271 -1.471 25753 4935 1 20 . 1 1 40 40 LYS H H 40 8.319 8.319 8.450 -0.131 25753 4936 1 20 . 1 1 41 41 GLU N N 41 120.017 120.017 118.933 1.084 25753 4937 1 20 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.102 0.025 25753 4938 1 20 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.291 -1.491 25753 4939 1 20 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.898 -0.835 25753 4940 1 20 . 1 1 41 41 GLU H H 41 8.657 8.657 8.626 0.031 25753 4941 1 20 . 1 1 42 42 LYS N N 42 116.887 116.887 120.167 -3.280 25753 4942 1 20 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.204 -0.412 25753 4943 1 20 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.241 -0.541 25753 4944 1 20 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.450 -1.650 25753 4945 1 20 . 1 1 42 42 LYS H H 42 8.468 8.468 8.488 -0.020 25753 4946 1 20 . 1 1 43 43 ARG N N 43 115.559 115.559 116.155 -0.596 25753 4947 1 20 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.501 -0.275 25753 4948 1 20 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.908 0.091 25753 4949 1 20 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.248 -1.448 25753 4950 1 20 . 1 1 43 43 ARG H H 43 8.165 8.165 8.008 0.157 25753 4951 1 20 . 1 1 44 44 ASN N N 44 117.868 117.868 118.742 -0.874 25753 4952 1 20 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.598 0.283 25753 4953 1 20 . 1 1 44 44 ASN CA C 44 52.400 52.400 54.042 -1.642 25753 4954 1 20 . 1 1 44 44 ASN CB C 44 39.200 39.200 38.963 0.237 25753 4955 1 20 . 1 1 44 44 ASN H H 44 7.983 7.983 7.872 0.111 25753 4956 1 20 . 1 1 45 45 LEU N N 45 125.712 125.712 121.260 4.452 25753 4957 1 20 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.582 -0.276 25753 4958 1 20 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.727 1.373 25753 4959 1 20 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.540 -2.473 25753 4960 1 20 . 1 1 45 45 LEU H H 45 8.193 8.193 8.298 -0.105 25753 4961 1 20 . 1 1 46 46 GLN N N 46 120.613 120.613 119.502 1.111 25753 4962 1 20 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753 4963 1 20 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.219 -0.219 25753 4964 1 20 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.107 -1.146 25753 4965 1 20 . 1 1 46 46 GLN H H 46 8.425 8.425 8.535 -0.110 25753 4966 1 20 . 1 1 47 47 CYS N N 47 122.193 122.193 120.974 1.219 25753 4967 1 20 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.861 -0.058 25753 4968 1 20 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.610 -3.910 25753 4969 1 20 . 1 1 47 47 CYS CB C 47 38.000 38.000 28.031 9.969 25753 4970 1 20 . 1 1 47 47 CYS H H 47 9.198 9.198 8.943 0.255 25753 4971 1 20 . 1 1 48 48 ILE N N 48 129.093 129.093 125.601 3.492 25753 4972 1 20 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.726 -0.426 25753 4973 1 20 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.633 0.567 25753 4974 1 20 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.756 -2.656 25753 4975 1 20 . 1 1 48 48 ILE H H 48 8.696 8.696 9.116 -0.420 25753 4976 1 20 . 1 1 49 49 CYS N N 49 126.279 126.279 123.876 2.403 25753 4977 1 20 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.518 0.749 25753 4978 1 20 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.742 -7.355 25753 4979 1 20 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.624 5.923 25753 4980 1 20 . 1 1 49 49 CYS H H 49 8.555 8.555 8.974 -0.419 25753 4981 1 20 . 1 1 50 50 ASP N N 50 122.491 122.491 118.774 3.717 25753 4982 1 20 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.913 0.550 25753 4983 1 20 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.895 -1.795 25753 4984 1 20 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.682 -1.636 25753 4985 1 20 . 1 1 50 50 ASP H H 50 8.813 8.813 8.479 0.334 25753 4986 1 20 . 1 1 51 51 TYR N N 51 124.921 124.921 123.393 1.528 25753 4987 1 20 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.640 -0.440 25753 4988 1 20 . 1 1 51 51 TYR CA C 51 59.100 59.100 58.124 0.976 25753 4989 1 20 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.447 0.053 25753 4990 1 20 . 1 1 51 51 TYR H H 51 9.633 9.633 7.960 1.673 25753 4991 1 20 . 1 1 52 52 CYS N N 52 120.435 120.435 115.759 4.676 25753 4992 1 20 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.763 -0.349 25753 4993 1 20 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.536 -2.736 25753 4994 1 20 . 1 1 52 52 CYS CB C 52 44.000 44.000 29.294 14.706 25753 4995 1 20 . 1 1 52 52 CYS H H 52 9.550 9.550 8.629 0.921 25753 4996 1 20 . 1 1 53 53 GLU N N 53 120.972 120.972 118.837 2.135 25753 4997 1 20 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.465 -0.218 25753 4998 1 20 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.339 -0.039 25753 4999 1 20 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.950 0.123 25753 5000 1 20 . 1 1 53 53 GLU H H 53 8.335 8.335 8.223 0.112 25753 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 49 2.465 -0.168 2.485 25753 2 1 1 "Average Difference" HA 52 0.365 0.021 0.368 25753 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25753 4 1 1 "Average Difference" CA 51 2.007 0.749 1.880 25753 5 1 1 "Average Difference" CB 50 5.148 -1.182 5.061 25753 6 1 1 "Average Difference" HN 50 0.570 -0.070 0.571 25753 7 1 2 "Average Difference" N 49 2.450 -0.133 2.471 25753 8 1 2 "Average Difference" HA 52 0.369 0.032 0.372 25753 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25753 10 1 2 "Average Difference" CA 51 2.025 0.785 1.885 25753 11 1 2 "Average Difference" CB 50 5.230 -1.235 5.134 25753 12 1 2 "Average Difference" HN 50 0.546 -0.079 0.546 25753 13 1 3 "Average Difference" N 49 2.420 -0.129 2.442 25753 14 1 3 "Average Difference" HA 52 0.362 0.024 0.365 25753 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25753 16 1 3 "Average Difference" CA 51 1.999 0.807 1.847 25753 17 1 3 "Average Difference" CB 50 5.231 -1.255 5.130 25753 18 1 3 "Average Difference" HN 50 0.514 -0.052 0.516 25753 19 1 4 "Average Difference" N 49 2.417 -0.274 2.427 25753 20 1 4 "Average Difference" HA 52 0.359 0.017 0.362 25753 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25753 22 1 4 "Average Difference" CA 51 2.008 0.829 1.847 25753 23 1 4 "Average Difference" CB 50 5.202 -1.219 5.108 25753 24 1 4 "Average Difference" HN 50 0.492 -0.058 0.494 25753 25 1 5 "Average Difference" N 49 2.566 -0.186 2.585 25753 26 1 5 "Average Difference" HA 52 0.355 0.024 0.358 25753 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25753 28 1 5 "Average Difference" CA 51 2.029 0.825 1.872 25753 29 1 5 "Average Difference" CB 50 5.215 -1.242 5.116 25753 30 1 5 "Average Difference" HN 50 0.528 -0.071 0.529 25753 31 1 6 "Average Difference" N 49 2.463 -0.268 2.474 25753 32 1 6 "Average Difference" HA 52 0.358 0.019 0.361 25753 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25753 34 1 6 "Average Difference" CA 51 2.029 0.839 1.866 25753 35 1 6 "Average Difference" CB 50 5.209 -1.242 5.111 25753 36 1 6 "Average Difference" HN 50 0.546 -0.074 0.546 25753 37 1 7 "Average Difference" N 49 2.363 -0.262 2.373 25753 38 1 7 "Average Difference" HA 52 0.367 0.030 0.369 25753 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25753 40 1 7 "Average Difference" CA 51 2.015 0.724 1.899 25753 41 1 7 "Average Difference" CB 50 5.213 -1.222 5.119 25753 42 1 7 "Average Difference" HN 50 0.518 -0.069 0.519 25753 43 1 8 "Average Difference" N 49 2.475 -0.166 2.495 25753 44 1 8 "Average Difference" HA 52 0.376 0.017 0.380 25753 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25753 46 1 8 "Average Difference" CA 51 2.047 0.761 1.919 25753 47 1 8 "Average Difference" CB 50 5.222 -1.222 5.128 25753 48 1 8 "Average Difference" HN 50 0.612 -0.134 0.603 25753 49 1 9 "Average Difference" N 49 2.434 -0.247 2.447 25753 50 1 9 "Average Difference" HA 52 0.363 0.018 0.366 25753 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25753 52 1 9 "Average Difference" CA 51 2.031 0.736 1.912 25753 53 1 9 "Average Difference" CB 50 5.163 -1.208 5.070 25753 54 1 9 "Average Difference" HN 50 0.561 -0.109 0.555 25753 55 1 10 "Average Difference" N 49 2.511 -0.149 2.532 25753 56 1 10 "Average Difference" HA 52 0.379 0.003 0.383 25753 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25753 58 1 10 "Average Difference" CA 51 2.024 0.797 1.878 25753 59 1 10 "Average Difference" CB 50 5.242 -1.262 5.140 25753 60 1 10 "Average Difference" HN 50 0.525 -0.103 0.521 25753 61 1 11 "Average Difference" N 49 2.396 -0.199 2.413 25753 62 1 11 "Average Difference" HA 52 0.367 0.023 0.370 25753 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25753 64 1 11 "Average Difference" CA 51 2.019 0.762 1.889 25753 65 1 11 "Average Difference" CB 50 5.233 -1.213 5.142 25753 66 1 11 "Average Difference" HN 50 0.550 -0.100 0.546 25753 67 1 12 "Average Difference" N 49 2.646 -0.275 2.659 25753 68 1 12 "Average Difference" HA 52 0.363 0.012 0.366 25753 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25753 70 1 12 "Average Difference" CA 51 2.037 0.820 1.883 25753 71 1 12 "Average Difference" CB 50 5.227 -1.244 5.128 25753 72 1 12 "Average Difference" HN 50 0.579 -0.091 0.578 25753 73 1 13 "Average Difference" N 49 2.570 -0.364 2.570 25753 74 1 13 "Average Difference" HA 52 0.372 0.009 0.376 25753 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25753 76 1 13 "Average Difference" CA 51 2.071 0.822 1.920 25753 77 1 13 "Average Difference" CB 50 5.273 -1.185 5.190 25753 78 1 13 "Average Difference" HN 50 0.577 -0.136 0.566 25753 79 1 14 "Average Difference" N 49 2.418 -0.241 2.431 25753 80 1 14 "Average Difference" HA 52 0.370 0.008 0.374 25753 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25753 82 1 14 "Average Difference" CA 51 2.029 0.825 1.872 25753 83 1 14 "Average Difference" CB 50 5.192 -1.325 5.071 25753 84 1 14 "Average Difference" HN 50 0.537 -0.103 0.533 25753 85 1 15 "Average Difference" N 49 2.493 -0.373 2.491 25753 86 1 15 "Average Difference" HA 52 0.361 0.018 0.364 25753 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25753 88 1 15 "Average Difference" CA 51 2.077 0.863 1.908 25753 89 1 15 "Average Difference" CB 50 5.329 -1.236 5.236 25753 90 1 15 "Average Difference" HN 50 0.559 -0.108 0.554 25753 91 1 16 "Average Difference" N 49 2.588 -0.293 2.598 25753 92 1 16 "Average Difference" HA 52 0.353 0.006 0.356 25753 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25753 94 1 16 "Average Difference" CA 51 2.022 0.787 1.882 25753 95 1 16 "Average Difference" CB 50 5.275 -1.219 5.184 25753 96 1 16 "Average Difference" HN 50 0.599 -0.086 0.599 25753 97 1 17 "Average Difference" N 49 2.484 -0.375 2.481 25753 98 1 17 "Average Difference" HA 52 0.384 -0.002 0.387 25753 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25753 100 1 17 "Average Difference" CA 51 2.043 0.838 1.882 25753 101 1 17 "Average Difference" CB 50 5.310 -1.287 5.204 25753 102 1 17 "Average Difference" HN 50 0.524 -0.103 0.519 25753 103 1 18 "Average Difference" N 49 2.609 -0.065 2.635 25753 104 1 18 "Average Difference" HA 52 0.376 0.022 0.379 25753 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25753 106 1 18 "Average Difference" CA 51 2.057 0.746 1.936 25753 107 1 18 "Average Difference" CB 50 5.300 -1.257 5.201 25753 108 1 18 "Average Difference" HN 50 0.603 -0.124 0.596 25753 109 1 19 "Average Difference" N 49 2.558 -0.371 2.557 25753 110 1 19 "Average Difference" HA 52 0.368 0.000 0.372 25753 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25753 112 1 19 "Average Difference" CA 51 2.009 0.847 1.840 25753 113 1 19 "Average Difference" CB 50 5.228 -1.263 5.124 25753 114 1 19 "Average Difference" HN 50 0.558 -0.114 0.552 25753 115 1 20 "Average Difference" N 49 2.557 -0.279 2.568 25753 116 1 20 "Average Difference" HA 52 0.353 0.025 0.356 25753 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25753 118 1 20 "Average Difference" CA 51 2.006 0.786 1.864 25753 119 1 20 "Average Difference" CB 50 5.248 -1.207 5.159 25753 120 1 20 "Average Difference" HN 50 0.551 -0.092 0.548 25753 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 25753 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 LYS HA H 3 4.270 4.270 4.283 -0.013 25753 2 1 . 1 1 3 3 LYS CA C 3 57.211 57.211 56.929 0.282 25753 3 1 . 1 1 3 3 LYS CB C 3 32.322 32.322 32.736 -0.414 25753 4 1 . 1 1 3 3 LYS H H 3 8.214 8.214 8.227 -0.013 25753 5 1 . 1 1 4 4 CYS N N 4 116.570 116.570 118.097 -1.527 25753 6 1 . 1 1 4 4 CYS HA H 4 4.694 4.694 4.345 0.349 25753 7 1 . 1 1 4 4 CYS CA C 4 56.772 56.772 60.077 -3.305 25753 8 1 . 1 1 4 4 CYS CB C 4 41.600 41.600 26.923 14.677 25753 9 1 . 1 1 4 4 CYS H H 4 8.430 8.430 8.366 0.064 25753 10 1 . 1 1 5 5 LYS N N 5 118.500 118.500 119.067 -0.567 25753 11 1 . 1 1 5 5 LYS HA H 5 5.502 5.502 4.510 0.992 25753 12 1 . 1 1 5 5 LYS CA C 5 54.566 54.566 56.192 -1.626 25753 13 1 . 1 1 5 5 LYS CB C 5 34.300 34.300 33.606 0.694 25753 14 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.823 0.142 25753 15 1 . 1 1 6 6 LYS N N 6 121.002 121.002 122.290 -1.288 25753 16 1 . 1 1 6 6 LYS HA H 6 4.713 4.713 4.530 0.183 25753 17 1 . 1 1 6 6 LYS CA C 6 55.000 55.000 54.842 0.158 25753 18 1 . 1 1 6 6 LYS CB C 6 36.573 36.573 35.628 0.945 25753 19 1 . 1 1 6 6 LYS H H 6 8.980 8.980 7.943 1.037 25753 20 1 . 1 1 7 7 VAL N N 7 127.157 127.157 124.129 3.028 25753 21 1 . 1 1 7 7 VAL HA H 7 3.913 3.913 3.917 -0.004 25753 22 1 . 1 1 7 7 VAL CA C 7 63.400 63.400 62.203 1.197 25753 23 1 . 1 1 7 7 VAL CB C 7 32.664 32.664 32.729 -0.065 25753 24 1 . 1 1 7 7 VAL H H 7 8.756 8.756 8.499 0.257 25753 25 1 . 1 1 8 8 TYR N N 8 129.707 129.707 129.504 0.203 25753 26 1 . 1 1 8 8 TYR HA H 8 4.383 4.383 4.338 0.045 25753 27 1 . 1 1 8 8 TYR CA C 8 55.150 55.150 58.759 -3.609 25753 28 1 . 1 1 8 8 TYR CB C 8 35.621 35.621 39.732 -4.112 25753 29 1 . 1 1 8 8 TYR H H 8 9.160 9.160 8.183 0.977 25753 30 1 . 1 1 9 9 GLU N N 9 130.601 130.601 123.012 7.589 25753 31 1 . 1 1 9 9 GLU HA H 9 4.120 4.120 4.076 0.044 25753 32 1 . 1 1 9 9 GLU CA C 9 57.898 57.898 58.798 -0.900 25753 33 1 . 1 1 9 9 GLU CB C 9 29.013 29.013 30.023 -1.010 25753 34 1 . 1 1 9 9 GLU H H 9 8.964 8.964 8.863 0.101 25753 35 1 . 1 1 10 10 ASN N N 10 115.766 115.766 114.227 1.539 25753 36 1 . 1 1 10 10 ASN HA H 10 4.365 4.365 4.820 -0.455 25753 37 1 . 1 1 10 10 ASN CA C 10 54.200 54.200 53.310 0.890 25753 38 1 . 1 1 10 10 ASN CB C 10 36.960 36.960 38.817 -1.857 25753 39 1 . 1 1 10 10 ASN H H 10 9.232 9.232 8.265 0.967 25753 40 1 . 1 1 11 11 TYR N N 11 122.267 122.267 122.434 -0.167 25753 41 1 . 1 1 11 11 TYR HA H 11 4.135 4.135 4.730 -0.595 25753 42 1 . 1 1 11 11 TYR CA C 11 56.947 56.947 54.915 2.032 25753 43 1 . 1 1 11 11 TYR CB C 11 39.105 39.105 39.943 -0.838 25753 44 1 . 1 1 11 11 TYR H H 11 7.473 7.473 8.385 -0.912 25753 45 1 . 1 1 12 12 PRO HA H 12 4.432 4.432 4.563 -0.131 25753 46 1 . 1 1 12 12 PRO CA C 12 61.847 61.847 62.771 -0.924 25753 47 1 . 1 1 12 12 PRO CB C 12 30.250 30.250 32.610 -2.360 25753 48 1 . 1 1 13 13 VAL N N 13 123.595 123.595 125.031 -1.436 25753 49 1 . 1 1 13 13 VAL HA H 13 3.754 3.754 3.686 0.068 25753 50 1 . 1 1 13 13 VAL CA C 13 65.500 65.500 65.003 0.497 25753 51 1 . 1 1 13 13 VAL CB C 13 31.111 31.111 31.782 -0.671 25753 52 1 . 1 1 13 13 VAL H H 13 8.102 8.102 8.547 -0.445 25753 53 1 . 1 1 14 14 SER N N 14 116.945 116.945 115.157 1.788 25753 54 1 . 1 1 14 14 SER HA H 14 4.119 4.119 4.242 -0.123 25753 55 1 . 1 1 14 14 SER CA C 14 61.050 61.050 61.304 -0.254 25753 56 1 . 1 1 14 14 SER CB C 14 61.239 61.239 62.772 -1.533 25753 57 1 . 1 1 14 14 SER H H 14 8.387 8.387 8.296 0.091 25753 58 1 . 1 1 15 15 LYS N N 15 121.073 121.073 121.719 -0.646 25753 59 1 . 1 1 15 15 LYS HA H 15 4.069 4.069 4.187 -0.118 25753 60 1 . 1 1 15 15 LYS CA C 15 59.300 59.300 58.594 0.706 25753 61 1 . 1 1 15 15 LYS CB C 15 31.235 31.235 32.149 -0.914 25753 62 1 . 1 1 15 15 LYS H H 15 7.821 7.821 7.962 -0.141 25753 63 1 . 1 1 16 16 CYS N N 16 115.469 115.469 119.004 -3.535 25753 64 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.291 0.445 25753 65 1 . 1 1 16 16 CYS CA C 16 57.800 57.800 61.119 -3.319 25753 66 1 . 1 1 16 16 CYS CB C 16 40.254 40.254 25.940 14.314 25753 67 1 . 1 1 16 16 CYS H H 16 7.844 7.844 7.653 0.191 25753 68 1 . 1 1 17 17 GLN N N 17 115.128 115.128 117.227 -2.099 25753 69 1 . 1 1 17 17 GLN HA H 17 4.213 4.213 4.032 0.181 25753 70 1 . 1 1 17 17 GLN CA C 17 56.100 56.100 57.625 -1.525 25753 71 1 . 1 1 17 17 GLN CB C 17 28.600 28.600 28.957 -0.357 25753 72 1 . 1 1 17 17 GLN H H 17 7.381 7.381 7.574 -0.193 25753 73 1 . 1 1 18 18 LEU N N 18 120.972 120.972 119.759 1.213 25753 74 1 . 1 1 18 18 LEU HA H 18 4.506 4.506 4.588 -0.082 25753 75 1 . 1 1 18 18 LEU CA C 18 53.300 53.300 53.255 0.045 25753 76 1 . 1 1 18 18 LEU CB C 18 42.094 42.094 42.297 -0.203 25753 77 1 . 1 1 18 18 LEU H H 18 7.286 7.286 7.749 -0.463 25753 78 1 . 1 1 19 19 ALA N N 19 127.694 127.694 128.912 -1.218 25753 79 1 . 1 1 19 19 ALA HA H 19 4.115 4.115 4.002 0.113 25753 80 1 . 1 1 19 19 ALA CA C 19 53.600 53.600 55.524 -1.924 25753 81 1 . 1 1 19 19 ALA CB C 19 17.900 17.900 18.493 -0.593 25753 82 1 . 1 1 19 19 ALA H H 19 8.556 8.556 8.970 -0.414 25753 83 1 . 1 1 20 20 ASN N N 20 116.006 116.006 114.902 1.104 25753 84 1 . 1 1 20 20 ASN HA H 20 4.628 4.628 4.465 0.163 25753 85 1 . 1 1 20 20 ASN CA C 20 54.700 54.700 55.919 -1.219 25753 86 1 . 1 1 20 20 ASN CB C 20 38.993 38.993 37.791 1.202 25753 87 1 . 1 1 20 20 ASN H H 20 9.044 9.044 8.748 0.296 25753 88 1 . 1 1 21 21 GLN N N 21 122.731 122.731 120.805 1.926 25753 89 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.317 -0.486 25753 90 1 . 1 1 21 21 GLN CA C 21 59.200 59.200 59.108 0.092 25753 91 1 . 1 1 21 21 GLN CB C 21 29.090 29.090 28.890 0.200 25753 92 1 . 1 1 21 21 GLN H H 21 7.662 7.662 7.725 -0.063 25753 93 1 . 1 1 22 22 CYS N N 22 118.925 118.925 119.992 -1.067 25753 94 1 . 1 1 22 22 CYS HA H 22 4.263 4.263 4.140 0.123 25753 95 1 . 1 1 22 22 CYS CA C 22 58.100 58.100 63.742 -5.642 25753 96 1 . 1 1 22 22 CYS CB C 22 38.500 38.500 26.427 12.073 25753 97 1 . 1 1 22 22 CYS H H 22 8.475 8.475 7.941 0.534 25753 98 1 . 1 1 23 23 ASN N N 23 118.714 118.714 118.057 0.657 25753 99 1 . 1 1 23 23 ASN HA H 23 3.806 3.806 4.439 -0.633 25753 100 1 . 1 1 23 23 ASN CA C 23 57.400 57.400 57.135 0.265 25753 101 1 . 1 1 23 23 ASN CB C 23 39.031 39.031 38.506 0.525 25753 102 1 . 1 1 23 23 ASN H H 23 7.972 7.972 8.218 -0.246 25753 103 1 . 1 1 24 24 TYR N N 24 117.828 117.828 120.084 -2.256 25753 104 1 . 1 1 24 24 TYR HA H 24 3.914 3.914 4.127 -0.213 25753 105 1 . 1 1 24 24 TYR CA C 24 61.200 61.200 61.411 -0.211 25753 106 1 . 1 1 24 24 TYR CB C 24 38.083 38.083 38.388 -0.305 25753 107 1 . 1 1 24 24 TYR H H 24 8.107 8.107 7.817 0.290 25753 108 1 . 1 1 25 25 ASP N N 25 119.620 119.620 117.218 2.402 25753 109 1 . 1 1 25 25 ASP HA H 25 4.629 4.629 4.319 0.310 25753 110 1 . 1 1 25 25 ASP CA C 25 57.400 57.400 56.892 0.508 25753 111 1 . 1 1 25 25 ASP CB C 25 40.300 40.300 41.847 -1.547 25753 112 1 . 1 1 25 25 ASP H H 25 9.064 9.064 8.407 0.657 25753 113 1 . 1 1 26 26 CYS N N 26 120.031 120.031 120.415 -0.383 25753 114 1 . 1 1 26 26 CYS HA H 26 4.105 4.105 4.224 -0.119 25753 115 1 . 1 1 26 26 CYS CA C 26 60.200 60.200 61.667 -1.467 25753 116 1 . 1 1 26 26 CYS CB C 26 36.600 36.600 26.522 10.078 25753 117 1 . 1 1 26 26 CYS H H 26 9.280 9.280 8.366 0.914 25753 118 1 . 1 1 27 27 LYS N N 27 119.838 119.838 118.994 0.844 25753 119 1 . 1 1 27 27 LYS HA H 27 4.104 4.104 4.250 -0.146 25753 120 1 . 1 1 27 27 LYS CA C 27 59.300 59.300 58.034 1.266 25753 121 1 . 1 1 27 27 LYS CB C 27 32.200 32.200 32.050 0.150 25753 122 1 . 1 1 27 27 LYS H H 27 7.646 7.646 8.454 -0.808 25753 123 1 . 1 1 28 28 LEU N N 28 119.791 119.791 121.041 -1.250 25753 124 1 . 1 1 28 28 LEU HA H 28 4.035 4.035 4.227 -0.192 25753 125 1 . 1 1 28 28 LEU CA C 28 57.200 57.200 57.594 -0.394 25753 126 1 . 1 1 28 28 LEU CB C 28 41.992 41.992 42.785 -0.793 25753 127 1 . 1 1 28 28 LEU H H 28 8.257 8.257 7.775 0.482 25753 128 1 . 1 1 29 29 ASP N N 29 116.737 116.737 118.851 -2.114 25753 129 1 . 1 1 29 29 ASP HA H 29 4.476 4.476 4.600 -0.123 25753 130 1 . 1 1 29 29 ASP CA C 29 55.597 55.597 56.536 -0.939 25753 131 1 . 1 1 29 29 ASP CB C 29 40.300 40.300 41.575 -1.275 25753 132 1 . 1 1 29 29 ASP H H 29 8.977 8.977 8.547 0.430 25753 133 1 . 1 1 30 30 LYS N N 30 111.907 111.907 116.701 -4.794 25753 134 1 . 1 1 30 30 LYS HA H 30 4.481 4.481 4.289 0.192 25753 135 1 . 1 1 30 30 LYS CA C 30 52.979 52.979 56.206 -3.227 25753 136 1 . 1 1 30 30 LYS CB C 30 31.484 31.484 32.969 -1.485 25753 137 1 . 1 1 30 30 LYS H H 30 6.618 6.618 7.773 -1.155 25753 138 1 . 1 1 31 31 HIS N N 31 112.966 112.966 115.443 -2.477 25753 139 1 . 1 1 31 31 HIS HA H 31 4.542 4.542 4.289 0.253 25753 140 1 . 1 1 31 31 HIS CA C 31 55.900 55.900 56.630 -0.730 25753 141 1 . 1 1 31 31 HIS CB C 31 25.467 25.467 27.975 -2.508 25753 142 1 . 1 1 31 31 HIS H H 31 7.013 7.013 7.843 -0.830 25753 143 1 . 1 1 32 32 ALA N N 32 120.001 120.001 119.876 0.125 25753 144 1 . 1 1 32 32 ALA HA H 32 4.055 4.055 3.898 0.157 25753 145 1 . 1 1 32 32 ALA CA C 32 50.400 50.400 51.602 -1.202 25753 146 1 . 1 1 32 32 ALA CB C 32 18.900 18.900 19.749 -0.849 25753 147 1 . 1 1 32 32 ALA H H 32 7.644 7.644 7.297 0.347 25753 148 1 . 1 1 33 33 ARG N N 33 116.588 116.588 120.449 -3.861 25753 149 1 . 1 1 33 33 ARG HA H 33 4.137 4.137 3.989 0.148 25753 150 1 . 1 1 33 33 ARG CA C 33 57.898 57.898 58.849 -0.951 25753 151 1 . 1 1 33 33 ARG CB C 33 30.387 30.387 30.678 -0.291 25753 152 1 . 1 1 33 33 ARG H H 33 8.254 8.254 8.348 -0.094 25753 153 1 . 1 1 34 34 SER N N 34 109.178 109.178 109.089 0.089 25753 154 1 . 1 1 34 34 SER HA H 34 4.593 4.593 4.858 -0.265 25753 155 1 . 1 1 34 34 SER CA C 34 57.500 57.500 57.319 0.181 25753 156 1 . 1 1 34 34 SER CB C 34 64.825 64.825 66.881 -2.056 25753 157 1 . 1 1 34 34 SER H H 34 7.989 7.989 7.644 0.345 25753 158 1 . 1 1 35 35 GLY N N 35 107.345 107.345 106.859 0.486 25753 159 1 . 1 1 35 35 GLY CA C 35 46.700 46.700 45.861 0.839 25753 160 1 . 1 1 35 35 GLY H H 35 8.633 8.633 8.559 0.074 25753 161 1 . 1 1 36 36 GLU N N 36 118.288 118.288 121.797 -3.509 25753 162 1 . 1 1 36 36 GLU HA H 36 4.292 4.292 4.840 -0.547 25753 163 1 . 1 1 36 36 GLU CA C 36 55.200 55.200 54.442 0.758 25753 164 1 . 1 1 36 36 GLU CB C 36 32.664 32.664 34.445 -1.781 25753 165 1 . 1 1 36 36 GLU H H 36 8.236 8.236 8.756 -0.520 25753 166 1 . 1 1 37 37 CYS N N 37 120.776 120.776 118.801 1.975 25753 167 1 . 1 1 37 37 CYS HA H 37 6.003 6.003 5.064 0.939 25753 168 1 . 1 1 37 37 CYS CA C 37 56.200 56.200 58.513 -2.313 25753 169 1 . 1 1 37 37 CYS CB C 37 45.700 45.700 28.430 17.270 25753 170 1 . 1 1 37 37 CYS H H 37 8.856 8.856 8.615 0.241 25753 171 1 . 1 1 38 38 PHE N N 38 121.520 121.520 122.014 -0.494 25753 172 1 . 1 1 38 38 PHE HA H 38 4.687 4.687 4.841 -0.154 25753 173 1 . 1 1 38 38 PHE CA C 38 56.500 56.500 55.715 0.785 25753 174 1 . 1 1 38 38 PHE CB C 38 43.013 43.013 42.708 0.305 25753 175 1 . 1 1 38 38 PHE H H 38 9.082 9.082 9.153 -0.071 25753 176 1 . 1 1 39 39 TYR N N 39 122.581 122.581 122.426 0.155 25753 177 1 . 1 1 39 39 TYR HA H 39 4.612 4.612 4.707 -0.095 25753 178 1 . 1 1 39 39 TYR CA C 39 57.800 57.800 57.281 0.519 25753 179 1 . 1 1 39 39 TYR CB C 39 38.100 38.100 37.949 0.151 25753 180 1 . 1 1 39 39 TYR H H 39 8.683 8.683 8.611 0.072 25753 181 1 . 1 1 40 40 LYS N N 40 126.022 126.022 125.138 0.884 25753 182 1 . 1 1 40 40 LYS HA H 40 4.319 4.319 4.591 -0.272 25753 183 1 . 1 1 40 40 LYS CA C 40 55.700 55.700 55.105 0.595 25753 184 1 . 1 1 40 40 LYS CB C 40 32.800 32.800 34.251 -1.452 25753 185 1 . 1 1 40 40 LYS H H 40 8.319 8.319 8.448 -0.129 25753 186 1 . 1 1 41 41 GLU N N 41 120.017 120.017 118.374 1.643 25753 187 1 . 1 1 41 41 GLU HA H 41 4.127 4.127 4.098 0.029 25753 188 1 . 1 1 41 41 GLU CA C 41 56.800 56.800 58.025 -1.224 25753 189 1 . 1 1 41 41 GLU CB C 41 29.063 29.063 29.406 -0.343 25753 190 1 . 1 1 41 41 GLU H H 41 8.657 8.657 8.572 0.085 25753 191 1 . 1 1 42 42 LYS N N 42 116.887 116.887 120.776 -3.889 25753 192 1 . 1 1 42 42 LYS HA H 42 3.792 3.792 4.198 -0.406 25753 193 1 . 1 1 42 42 LYS CA C 42 57.700 57.700 58.118 -0.418 25753 194 1 . 1 1 42 42 LYS CB C 42 30.800 30.800 32.538 -1.738 25753 195 1 . 1 1 42 42 LYS H H 42 8.468 8.468 8.380 0.088 25753 196 1 . 1 1 43 43 ARG N N 43 115.559 115.559 116.001 -0.442 25753 197 1 . 1 1 43 43 ARG HA H 43 4.226 4.226 4.486 -0.260 25753 198 1 . 1 1 43 43 ARG CA C 43 56.000 56.000 55.857 0.143 25753 199 1 . 1 1 43 43 ARG CB C 43 29.800 29.800 31.184 -1.384 25753 200 1 . 1 1 43 43 ARG H H 43 8.165 8.165 8.068 0.097 25753 201 1 . 1 1 44 44 ASN N N 44 117.868 117.868 119.158 -1.290 25753 202 1 . 1 1 44 44 ASN HA H 44 4.881 4.881 4.628 0.253 25753 203 1 . 1 1 44 44 ASN CA C 44 52.400 52.400 53.987 -1.587 25753 204 1 . 1 1 44 44 ASN CB C 44 39.200 39.200 39.178 0.022 25753 205 1 . 1 1 44 44 ASN H H 44 7.983 7.983 7.939 0.044 25753 206 1 . 1 1 45 45 LEU N N 45 125.712 125.712 121.150 4.562 25753 207 1 . 1 1 45 45 LEU HA H 45 4.306 4.306 4.605 -0.299 25753 208 1 . 1 1 45 45 LEU CA C 45 55.100 55.100 53.762 1.338 25753 209 1 . 1 1 45 45 LEU CB C 45 43.067 43.067 45.736 -2.669 25753 210 1 . 1 1 45 45 LEU H H 45 8.193 8.193 8.336 -0.143 25753 211 1 . 1 1 46 46 GLN N N 46 120.613 120.613 119.418 1.195 25753 212 1 . 1 1 46 46 GLN HA H 46 4.665 4.665 4.680 -0.015 25753 213 1 . 1 1 46 46 GLN CA C 46 54.000 54.000 54.110 -0.110 25753 214 1 . 1 1 46 46 GLN CB C 46 32.961 32.961 34.004 -1.043 25753 215 1 . 1 1 46 46 GLN H H 46 8.425 8.425 8.712 -0.287 25753 216 1 . 1 1 47 47 CYS N N 47 122.193 122.193 121.183 1.010 25753 217 1 . 1 1 47 47 CYS HA H 47 4.803 4.803 4.947 -0.143 25753 218 1 . 1 1 47 47 CYS CA C 47 54.700 54.700 58.611 -3.911 25753 219 1 . 1 1 47 47 CYS CB C 47 38.000 38.000 27.806 10.194 25753 220 1 . 1 1 47 47 CYS H H 47 9.198 9.198 8.936 0.262 25753 221 1 . 1 1 48 48 ILE N N 48 129.093 129.093 125.460 3.633 25753 222 1 . 1 1 48 48 ILE HA H 48 4.300 4.300 4.657 -0.357 25753 223 1 . 1 1 48 48 ILE CA C 48 60.200 60.200 59.749 0.451 25753 224 1 . 1 1 48 48 ILE CB C 48 38.100 38.100 40.409 -2.309 25753 225 1 . 1 1 48 48 ILE H H 48 8.696 8.696 8.824 -0.128 25753 226 1 . 1 1 49 49 CYS N N 49 126.279 126.279 124.442 1.837 25753 227 1 . 1 1 49 49 CYS HA H 49 5.267 5.267 4.464 0.803 25753 228 1 . 1 1 49 49 CYS CA C 49 51.387 51.387 58.955 -7.568 25753 229 1 . 1 1 49 49 CYS CB C 49 35.547 35.547 29.484 6.063 25753 230 1 . 1 1 49 49 CYS H H 49 8.555 8.555 8.949 -0.394 25753 231 1 . 1 1 50 50 ASP N N 50 122.491 122.491 119.096 3.395 25753 232 1 . 1 1 50 50 ASP HA H 50 5.463 5.463 4.894 0.569 25753 233 1 . 1 1 50 50 ASP CA C 50 52.100 52.100 53.799 -1.699 25753 234 1 . 1 1 50 50 ASP CB C 50 43.046 43.046 44.489 -1.443 25753 235 1 . 1 1 50 50 ASP H H 50 8.813 8.813 8.484 0.329 25753 236 1 . 1 1 51 51 TYR N N 51 124.921 124.921 121.740 3.181 25753 237 1 . 1 1 51 51 TYR HA H 51 4.200 4.200 4.776 -0.576 25753 238 1 . 1 1 51 51 TYR CA C 51 59.100 59.100 57.425 1.675 25753 239 1 . 1 1 51 51 TYR CB C 51 38.500 38.500 38.885 -0.385 25753 240 1 . 1 1 51 51 TYR H H 51 9.633 9.633 8.298 1.335 25753 241 1 . 1 1 52 52 CYS N N 52 120.435 120.435 116.238 4.197 25753 242 1 . 1 1 52 52 CYS HA H 52 4.414 4.414 4.762 -0.348 25753 243 1 . 1 1 52 52 CYS CA C 52 54.800 54.800 57.979 -3.179 25753 244 1 . 1 1 52 52 CYS CB C 52 44.000 44.000 30.628 13.372 25753 245 1 . 1 1 52 52 CYS H H 52 9.550 9.550 8.196 1.354 25753 246 1 . 1 1 53 53 GLU N N 53 120.972 120.972 119.521 1.451 25753 247 1 . 1 1 53 53 GLU HA H 53 4.247 4.247 4.522 -0.275 25753 248 1 . 1 1 53 53 GLU CA C 53 55.300 55.300 55.811 -0.511 25753 249 1 . 1 1 53 53 GLU CB C 53 31.073 31.073 30.912 0.161 25753 250 1 . 1 1 53 53 GLU H H 53 8.335 8.335 8.303 0.032 25753 stop_ save_