data_18441 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18441 _Entry.PDB_ID 2LSR 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 18441 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.909 -0.379 18441 2 1 1 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.684 1.906 18441 3 1 1 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.478 0.215 18441 4 1 1 . 1 1 3 3 ARG N N 3 121.498 121.498 120.610 0.888 18441 5 1 1 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.235 0.006 18441 6 1 1 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.307 -0.637 18441 7 1 1 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.624 -0.114 18441 8 1 1 . 1 1 3 3 ARG H H 3 8.382 8.382 8.257 0.125 18441 9 1 1 . 1 1 4 4 LYS N N 4 122.257 122.257 119.476 2.781 18441 10 1 1 . 1 1 4 4 LYS HA H 4 4.058 4.058 3.996 0.062 18441 11 1 1 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.400 0.310 18441 12 1 1 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.810 1.466 18441 13 1 1 . 1 1 4 4 LYS H H 4 8.226 8.226 8.409 -0.183 18441 14 1 1 . 1 1 5 5 VAL N N 5 120.494 120.494 118.344 2.150 18441 15 1 1 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.735 -0.014 18441 16 1 1 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.522 1.128 18441 17 1 1 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.364 0.710 18441 18 1 1 . 1 1 5 5 VAL H H 5 8.109 8.109 8.050 0.059 18441 19 1 1 . 1 1 6 6 ALA N N 6 123.149 123.149 123.246 -0.097 18441 20 1 1 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.282 -0.247 18441 21 1 1 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.182 0.708 18441 22 1 1 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.286 0.974 18441 23 1 1 . 1 1 6 6 ALA H H 6 8.374 8.374 7.448 0.926 18441 24 1 1 . 1 1 7 7 ARG N N 7 119.587 119.587 118.223 1.364 18441 25 1 1 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.850 0.151 18441 26 1 1 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.242 0.528 18441 27 1 1 . 1 1 7 7 ARG CB C 7 30.770 30.770 29.864 0.906 18441 28 1 1 . 1 1 7 7 ARG H H 7 7.992 7.992 7.804 0.188 18441 29 1 1 . 1 1 8 8 GLU N N 8 119.745 119.745 119.794 -0.049 18441 30 1 1 . 1 1 8 8 GLU HA H 8 4.058 4.058 3.975 0.083 18441 31 1 1 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.171 0.599 18441 32 1 1 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.453 0.497 18441 33 1 1 . 1 1 8 8 GLU H H 8 8.165 8.165 8.028 0.137 18441 34 1 1 . 1 1 9 9 PHE N N 9 121.436 121.436 120.012 1.424 18441 35 1 1 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.421 -0.294 18441 36 1 1 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.946 3.074 18441 37 1 1 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.561 1.062 18441 38 1 1 . 1 1 9 9 PHE H H 9 8.180 8.180 8.157 0.023 18441 39 1 1 . 1 1 10 10 ARG N N 10 119.028 119.028 120.049 -1.021 18441 40 1 1 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.486 0.375 18441 41 1 1 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.494 0.086 18441 42 1 1 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.463 0.857 18441 43 1 1 . 1 1 10 10 ARG H H 10 7.910 7.910 7.936 -0.026 18441 44 1 1 . 1 1 11 11 HIS N N 11 116.563 116.563 117.525 -0.962 18441 45 1 1 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.291 0.165 18441 46 1 1 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.798 0.382 18441 47 1 1 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.831 0.199 18441 48 1 1 . 1 1 11 11 HIS H H 11 8.001 8.001 8.224 -0.223 18441 49 1 1 . 1 1 12 12 LYS N N 12 120.773 120.773 119.876 0.897 18441 50 1 1 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.124 -0.116 18441 51 1 1 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.667 0.313 18441 52 1 1 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.506 0.187 18441 53 1 1 . 1 1 12 12 LYS H H 12 7.796 7.796 7.811 -0.015 18441 54 1 1 . 1 1 13 13 VAL N N 13 120.125 120.125 120.189 -0.064 18441 55 1 1 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.694 -0.583 18441 56 1 1 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.050 1.130 18441 57 1 1 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.350 0.790 18441 58 1 1 . 1 1 13 13 VAL H H 13 7.821 7.821 8.162 -0.341 18441 59 1 1 . 1 1 14 14 ASP N N 14 117.462 117.462 119.191 -1.729 18441 60 1 1 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.323 -0.061 18441 61 1 1 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.971 0.429 18441 62 1 1 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.728 0.586 18441 63 1 1 . 1 1 14 14 ASP H H 14 8.276 8.276 7.797 0.479 18441 64 1 1 . 1 1 15 15 PHE N N 15 117.914 117.914 118.852 -0.938 18441 65 1 1 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.223 0.139 18441 66 1 1 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.644 -0.454 18441 67 1 1 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.561 1.137 18441 68 1 1 . 1 1 15 15 PHE H H 15 7.664 7.664 7.673 -0.009 18441 69 1 1 . 1 1 16 16 LEU N N 16 116.737 116.737 117.270 -0.533 18441 70 1 1 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.250 -0.016 18441 71 1 1 . 1 1 16 16 LEU CA C 16 56.420 56.420 55.042 1.378 18441 72 1 1 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.554 2.524 18441 73 1 1 . 1 1 16 16 LEU H H 16 7.658 7.658 7.923 -0.265 18441 74 1 1 . 1 1 17 17 ILE N N 17 120.533 120.533 117.636 2.897 18441 75 1 1 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.502 -0.394 18441 76 1 1 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.027 1.513 18441 77 1 1 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.091 1.266 18441 78 1 1 . 1 1 17 17 ILE H H 17 8.336 8.336 7.462 0.874 18441 79 1 1 . 1 1 18 18 GLU N N 18 124.531 124.531 124.124 0.407 18441 80 1 1 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.018 0.192 18441 81 1 1 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.546 0.054 18441 82 1 1 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.871 1.139 18441 83 1 1 . 1 1 18 18 GLU H H 18 8.276 8.276 8.609 -0.333 18441 84 1 1 . 1 1 19 19 ASN N N 19 117.630 117.630 116.128 1.502 18441 85 1 1 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.672 0.133 18441 86 1 1 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.236 -0.498 18441 87 1 1 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.205 1.973 18441 88 1 1 . 1 1 19 19 ASN H H 19 7.700 7.700 8.166 -0.466 18441 89 1 1 . 1 1 20 20 ASP N N 20 127.428 127.428 120.056 7.372 18441 90 1 1 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.591 -0.342 18441 91 1 1 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.515 2.335 18441 92 1 1 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.137 0.177 18441 93 1 1 . 1 1 20 20 ASP H H 20 8.998 8.998 8.653 0.345 18441 94 1 1 . 1 1 21 21 ALA N N 21 122.271 122.271 123.265 -0.994 18441 95 1 1 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.119 0.141 18441 96 1 1 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.188 0.812 18441 97 1 1 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.303 0.347 18441 98 1 1 . 1 1 21 21 ALA H H 21 8.346 8.346 8.152 0.194 18441 99 1 1 . 1 1 22 22 GLU N N 22 118.716 118.716 118.062 0.654 18441 100 1 1 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.957 0.157 18441 101 1 1 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.312 0.048 18441 102 1 1 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.049 2.723 18441 103 1 1 . 1 1 22 22 GLU H H 22 7.724 7.724 8.899 -1.175 18441 104 1 1 . 1 1 23 23 LYS N N 23 121.088 121.088 117.835 3.253 18441 105 1 1 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.713 0.098 18441 106 1 1 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.939 2.731 18441 107 1 1 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.820 1.250 18441 108 1 1 . 1 1 23 23 LYS H H 23 7.618 7.618 7.739 -0.121 18441 109 1 1 . 1 1 24 24 ASP N N 24 119.010 119.010 120.615 -1.605 18441 110 1 1 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.444 0.045 18441 111 1 1 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.297 1.213 18441 112 1 1 . 1 1 24 24 ASP CB C 24 40.837 40.837 41.004 -0.167 18441 113 1 1 . 1 1 24 24 ASP H H 24 8.424 8.424 7.924 0.500 18441 114 1 1 . 1 1 25 25 TYR N N 25 120.417 120.417 121.249 -0.832 18441 115 1 1 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.202 0.041 18441 116 1 1 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.511 0.679 18441 117 1 1 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.571 -0.072 18441 118 1 1 . 1 1 25 25 TYR H H 25 7.676 7.676 8.521 -0.845 18441 119 1 1 . 1 1 26 26 LEU N N 26 120.960 120.960 119.754 1.206 18441 120 1 1 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.892 -0.291 18441 121 1 1 . 1 1 26 26 LEU CA C 26 59.440 59.440 57.983 1.457 18441 122 1 1 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.832 0.319 18441 123 1 1 . 1 1 26 26 LEU H H 26 7.965 7.965 7.808 0.157 18441 124 1 1 . 1 1 27 27 TYR N N 27 116.521 116.521 118.087 -1.566 18441 125 1 1 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.066 -0.290 18441 126 1 1 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.468 4.942 18441 127 1 1 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.115 1.288 18441 128 1 1 . 1 1 27 27 TYR H H 27 8.097 8.097 7.984 0.113 18441 129 1 1 . 1 1 28 28 ASP N N 28 123.384 123.384 119.033 4.351 18441 130 1 1 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.380 0.096 18441 131 1 1 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.894 0.646 18441 132 1 1 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.568 0.826 18441 133 1 1 . 1 1 28 28 ASP H H 28 8.355 8.355 7.892 0.463 18441 134 1 1 . 1 1 29 29 VAL N N 29 121.272 121.272 120.176 1.096 18441 135 1 1 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.679 0.034 18441 136 1 1 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.384 0.266 18441 137 1 1 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.702 0.216 18441 138 1 1 . 1 1 29 29 VAL H H 29 8.252 8.252 7.674 0.578 18441 139 1 1 . 1 1 30 30 LEU N N 30 122.443 122.443 120.299 2.144 18441 140 1 1 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.061 -0.018 18441 141 1 1 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.350 0.530 18441 142 1 1 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.657 0.624 18441 143 1 1 . 1 1 30 30 LEU H H 30 7.987 7.987 8.319 -0.332 18441 144 1 1 . 1 1 31 31 ARG N N 31 122.386 122.386 118.773 3.613 18441 145 1 1 . 1 1 31 31 ARG HA H 31 4.016 4.016 3.998 0.018 18441 146 1 1 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.612 0.768 18441 147 1 1 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.198 0.202 18441 148 1 1 . 1 1 31 31 ARG H H 31 8.637 8.637 8.260 0.377 18441 149 1 1 . 1 1 32 32 MET N N 32 120.006 120.006 118.889 1.117 18441 150 1 1 . 1 1 32 32 MET HA H 32 4.359 4.359 4.389 -0.030 18441 151 1 1 . 1 1 32 32 MET CA C 32 58.490 58.490 58.150 0.340 18441 152 1 1 . 1 1 32 32 MET CB C 32 31.677 31.677 31.815 -0.138 18441 153 1 1 . 1 1 32 32 MET H H 32 8.327 8.327 7.883 0.444 18441 154 1 1 . 1 1 33 33 TYR N N 33 123.220 123.220 121.375 1.845 18441 155 1 1 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.129 0.595 18441 156 1 1 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.802 0.198 18441 157 1 1 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.809 1.879 18441 158 1 1 . 1 1 33 33 TYR H H 33 8.054 8.054 8.129 -0.075 18441 159 1 1 . 1 1 34 34 HIS N N 34 120.860 120.860 117.751 3.109 18441 160 1 1 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.063 -0.287 18441 161 1 1 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.508 1.202 18441 162 1 1 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.325 1.067 18441 163 1 1 . 1 1 34 34 HIS H H 34 8.548 8.548 7.903 0.645 18441 164 1 1 . 1 1 35 35 GLN N N 35 113.582 113.582 118.443 -4.861 18441 165 1 1 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.223 -0.223 18441 166 1 1 . 1 1 35 35 GLN CA C 35 58.680 58.680 57.947 0.733 18441 167 1 1 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.249 1.301 18441 168 1 1 . 1 1 35 35 GLN H H 35 7.542 7.542 8.254 -0.712 18441 169 1 1 . 1 1 36 36 THR N N 36 111.117 111.117 110.945 0.172 18441 170 1 1 . 1 1 36 36 THR HA H 36 4.214 4.214 4.259 -0.045 18441 171 1 1 . 1 1 36 36 THR CA C 36 63.980 63.980 63.316 0.664 18441 172 1 1 . 1 1 36 36 THR CB C 36 71.670 71.670 70.081 1.589 18441 173 1 1 . 1 1 36 36 THR H H 36 8.569 8.569 8.389 0.180 18441 174 1 1 . 1 1 37 37 MET N N 37 120.444 120.444 116.906 3.538 18441 175 1 1 . 1 1 37 37 MET HA H 37 3.740 3.740 4.020 -0.280 18441 176 1 1 . 1 1 37 37 MET CA C 37 56.430 56.430 56.608 -0.178 18441 177 1 1 . 1 1 37 37 MET CB C 37 31.399 31.399 30.451 0.948 18441 178 1 1 . 1 1 37 37 MET H H 37 9.542 9.542 7.919 1.623 18441 179 1 1 . 1 1 38 38 ASP N N 38 117.020 117.020 120.785 -3.765 18441 180 1 1 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.857 0.087 18441 181 1 1 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.275 0.201 18441 182 1 1 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.869 -0.829 18441 183 1 1 . 1 1 38 38 ASP H H 38 7.456 7.456 7.853 -0.397 18441 184 1 1 . 1 1 39 39 VAL N N 39 128.507 128.507 122.570 5.937 18441 185 1 1 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.492 0.339 18441 186 1 1 . 1 1 39 39 VAL CA C 39 64.840 64.840 62.974 1.866 18441 187 1 1 . 1 1 39 39 VAL CB C 39 32.700 32.700 30.930 1.770 18441 188 1 1 . 1 1 39 39 VAL H H 39 8.425 8.425 8.643 -0.218 18441 189 1 1 . 1 1 40 40 ALA N N 40 125.621 125.621 122.563 3.058 18441 190 1 1 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.176 -0.189 18441 191 1 1 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.298 0.562 18441 192 1 1 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.515 -0.045 18441 193 1 1 . 1 1 40 40 ALA H H 40 7.998 7.998 8.233 -0.235 18441 194 1 1 . 1 1 41 41 VAL N N 41 122.132 122.132 118.551 3.581 18441 195 1 1 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.804 -0.233 18441 196 1 1 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.248 1.432 18441 197 1 1 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.111 1.591 18441 198 1 1 . 1 1 41 41 VAL H H 41 7.663 7.663 7.497 0.166 18441 199 1 1 . 1 1 42 42 LEU N N 42 120.190 120.190 120.688 -0.498 18441 200 1 1 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.887 0.373 18441 201 1 1 . 1 1 42 42 LEU CA C 42 58.990 58.990 57.990 1.000 18441 202 1 1 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.594 -0.889 18441 203 1 1 . 1 1 42 42 LEU H H 42 7.361 7.361 7.211 0.150 18441 204 1 1 . 1 1 43 43 VAL N N 43 116.802 116.802 118.103 -1.301 18441 205 1 1 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.938 -0.521 18441 206 1 1 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.522 3.258 18441 207 1 1 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.592 1.388 18441 208 1 1 . 1 1 43 43 VAL H H 43 8.062 8.062 7.789 0.273 18441 209 1 1 . 1 1 44 44 GLY N N 44 106.242 106.242 107.854 -1.612 18441 210 1 1 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.438 0.878 18441 211 1 1 . 1 1 44 44 GLY H H 44 7.901 7.901 7.869 0.032 18441 212 1 1 . 1 1 45 45 ASP N N 45 123.359 123.359 123.357 0.002 18441 213 1 1 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.526 0.139 18441 214 1 1 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.978 -0.218 18441 215 1 1 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.878 -0.010 18441 216 1 1 . 1 1 45 45 ASP H H 45 8.680 8.680 7.859 0.821 18441 217 1 1 . 1 1 46 46 LEU N N 46 123.201 123.201 120.766 2.435 18441 218 1 1 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.628 0.438 18441 219 1 1 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.789 0.331 18441 220 1 1 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.442 1.557 18441 221 1 1 . 1 1 46 46 LEU H H 46 9.018 9.018 8.427 0.591 18441 222 1 1 . 1 1 47 47 LYS N N 47 119.196 119.196 118.571 0.625 18441 223 1 1 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.215 -0.245 18441 224 1 1 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.823 0.467 18441 225 1 1 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.209 0.932 18441 226 1 1 . 1 1 47 47 LYS H H 47 8.017 8.017 7.684 0.334 18441 227 1 1 . 1 1 48 48 LEU N N 48 116.358 116.358 120.088 -3.730 18441 228 1 1 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.982 0.179 18441 229 1 1 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.897 -0.227 18441 230 1 1 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.373 -0.213 18441 231 1 1 . 1 1 48 48 LEU H H 48 7.143 7.143 7.508 -0.365 18441 232 1 1 . 1 1 49 49 VAL N N 49 112.662 112.662 114.261 -1.599 18441 233 1 1 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.941 0.532 18441 234 1 1 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.332 -0.272 18441 235 1 1 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.557 2.608 18441 236 1 1 . 1 1 49 49 VAL H H 49 7.266 7.266 7.390 -0.124 18441 237 1 1 . 1 1 50 50 ILE N N 50 124.631 124.631 117.928 6.703 18441 238 1 1 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.336 -0.491 18441 239 1 1 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.493 1.097 18441 240 1 1 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.260 -3.099 18441 241 1 1 . 1 1 50 50 ILE H H 50 8.475 8.475 7.525 0.950 18441 242 1 1 . 1 1 51 51 ASN N N 51 119.027 119.027 118.829 0.198 18441 243 1 1 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.678 0.029 18441 244 1 1 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.356 0.092 18441 245 1 1 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.360 0.601 18441 246 1 1 . 1 1 51 51 ASN H H 51 7.347 7.347 8.074 -0.727 18441 247 1 1 . 1 1 52 52 GLU N N 52 115.889 115.889 118.716 -2.827 18441 248 1 1 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.758 0.130 18441 249 1 1 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.908 1.877 18441 250 1 1 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.867 0.153 18441 251 1 1 . 1 1 52 52 GLU H H 52 7.438 7.438 7.445 -0.007 18441 252 1 1 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.221 -0.011 18441 253 1 1 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.141 1.819 18441 254 1 1 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.838 1.110 18441 255 1 1 . 1 1 54 54 SER N N 54 113.711 113.711 112.140 1.571 18441 256 1 1 . 1 1 54 54 SER HA H 54 4.173 4.173 4.349 -0.176 18441 257 1 1 . 1 1 54 54 SER CA C 54 61.650 61.650 60.798 0.852 18441 258 1 1 . 1 1 54 54 SER CB C 54 62.930 62.930 63.181 -0.251 18441 259 1 1 . 1 1 54 54 SER H H 54 8.946 8.946 8.227 0.719 18441 260 1 1 . 1 1 55 55 ARG N N 55 116.455 116.455 119.608 -3.153 18441 261 1 1 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.408 -0.004 18441 262 1 1 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.879 0.431 18441 263 1 1 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.400 3.212 18441 264 1 1 . 1 1 55 55 ARG H H 55 7.759 7.759 7.698 0.061 18441 265 1 1 . 1 1 56 56 LEU N N 56 121.468 121.468 123.161 -1.693 18441 266 1 1 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.285 -0.150 18441 267 1 1 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.946 -0.046 18441 268 1 1 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.559 1.438 18441 269 1 1 . 1 1 56 56 LEU H H 56 7.472 7.472 8.473 -1.001 18441 270 1 1 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.221 0.475 18441 271 1 1 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.043 0.137 18441 272 1 1 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.181 1.209 18441 273 1 1 . 1 1 58 58 LEU N N 58 119.923 119.923 117.845 2.078 18441 274 1 1 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.140 -0.090 18441 275 1 1 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.601 0.719 18441 276 1 1 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.502 0.527 18441 277 1 1 . 1 1 58 58 LEU H H 58 8.734 8.734 7.789 0.945 18441 278 1 1 . 1 1 59 59 PHE N N 59 116.632 116.632 120.877 -4.245 18441 279 1 1 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.187 0.292 18441 280 1 1 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.590 1.490 18441 281 1 1 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.960 -0.108 18441 282 1 1 . 1 1 59 59 PHE H H 59 8.312 8.312 8.294 0.018 18441 283 1 1 . 1 1 60 60 ASP N N 60 120.603 120.603 118.296 2.307 18441 284 1 1 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.514 0.157 18441 285 1 1 . 1 1 60 60 ASP CA C 60 57.870 57.870 57.035 0.835 18441 286 1 1 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.063 0.478 18441 287 1 1 . 1 1 60 60 ASP H H 60 7.462 7.462 7.802 -0.340 18441 288 1 1 . 1 1 61 61 ALA N N 61 122.470 122.470 123.552 -1.082 18441 289 1 1 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.052 0.209 18441 290 1 1 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.563 -0.017 18441 291 1 1 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.429 0.451 18441 292 1 1 . 1 1 61 61 ALA H H 61 7.664 7.664 7.665 -0.001 18441 293 1 1 . 1 1 62 62 ILE N N 62 115.525 115.525 118.259 -2.734 18441 294 1 1 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.006 0.676 18441 295 1 1 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.568 -0.148 18441 296 1 1 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.944 2.212 18441 297 1 1 . 1 1 62 62 ILE H H 62 7.653 7.653 7.673 -0.020 18441 298 1 1 . 1 1 63 63 ARG N N 63 121.016 121.016 120.900 0.116 18441 299 1 1 . 1 1 63 63 ARG HA H 63 3.474 3.474 4.244 -0.770 18441 300 1 1 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.689 0.681 18441 301 1 1 . 1 1 63 63 ARG H H 63 6.917 6.917 7.511 -0.594 18441 302 1 1 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.213 0.098 18441 303 1 1 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.621 0.119 18441 304 1 1 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.033 1.154 18441 305 1 1 . 1 1 65 65 LEU N N 65 114.713 114.713 115.274 -0.561 18441 306 1 1 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.106 -0.186 18441 307 1 1 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.241 -0.581 18441 308 1 1 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.876 0.232 18441 309 1 1 . 1 1 65 65 LEU H H 65 8.074 8.074 7.490 0.584 18441 310 1 1 . 1 1 66 66 ILE N N 66 120.129 120.129 118.967 1.162 18441 311 1 1 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.070 0.235 18441 312 1 1 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.952 -5.192 18441 313 1 1 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.639 -0.995 18441 314 1 1 . 1 1 66 66 ILE H H 66 7.398 7.398 7.629 -0.231 18441 315 1 1 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.416 -0.111 18441 316 1 1 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.371 1.269 18441 317 1 1 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.549 0.740 18441 318 1 1 . 1 1 68 68 LEU N N 68 124.673 124.673 122.313 2.360 18441 319 1 1 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.976 -0.126 18441 320 1 1 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.375 0.245 18441 321 1 1 . 1 1 68 68 LEU CB C 68 42.467 42.467 42.084 0.383 18441 322 1 1 . 1 1 68 68 LEU H H 68 8.471 8.471 8.469 0.002 18441 323 1 1 . 1 1 69 69 LYS N N 69 115.247 115.247 118.930 -3.683 18441 324 1 1 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.014 0.155 18441 325 1 1 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.099 -0.079 18441 326 1 1 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.807 0.699 18441 327 1 1 . 1 1 69 69 LYS H H 69 8.536 8.536 8.385 0.151 18441 328 1 1 . 1 1 70 70 HIS N N 70 118.849 118.849 117.367 1.482 18441 329 1 1 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.402 0.823 18441 330 1 1 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.302 -3.413 18441 331 1 1 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.604 5.434 18441 332 1 1 . 1 1 70 70 HIS H H 70 8.060 8.060 8.387 -0.327 18441 333 1 1 . 1 1 71 71 GLN N N 71 122.130 122.130 119.760 2.370 18441 334 1 1 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.219 -0.520 18441 335 1 1 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.457 2.233 18441 336 1 1 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.807 0.443 18441 337 1 1 . 1 1 71 71 GLN H H 71 7.732 7.732 8.482 -0.750 18441 338 1 1 . 1 1 72 72 VAL N N 72 119.182 119.182 119.957 -0.775 18441 339 1 1 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.670 0.138 18441 340 1 1 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.571 0.649 18441 341 1 1 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.454 0.360 18441 342 1 1 . 1 1 72 72 VAL H H 72 8.203 8.203 7.979 0.224 18441 343 1 1 . 1 1 73 73 GLU N N 73 121.878 121.878 119.853 2.025 18441 344 1 1 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.091 -0.113 18441 345 1 1 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.436 0.664 18441 346 1 1 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.763 0.897 18441 347 1 1 . 1 1 73 73 GLU H H 73 8.136 8.136 7.926 0.210 18441 348 1 1 . 1 1 74 74 TYR N N 74 119.780 119.780 121.271 -1.491 18441 349 1 1 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.264 -0.587 18441 350 1 1 . 1 1 74 74 TYR CA C 74 63.310 63.310 59.572 3.738 18441 351 1 1 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.397 1.623 18441 352 1 1 . 1 1 74 74 TYR H H 74 8.491 8.491 8.541 -0.050 18441 353 1 1 . 1 1 75 75 ASP N N 75 120.231 120.231 119.376 0.855 18441 354 1 1 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.181 -0.038 18441 355 1 1 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.962 0.598 18441 356 1 1 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.507 0.071 18441 357 1 1 . 1 1 75 75 ASP H H 75 8.566 8.566 8.476 0.090 18441 358 1 1 . 1 1 76 76 GLN N N 76 118.324 118.324 118.940 -0.616 18441 359 1 1 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.065 -0.009 18441 360 1 1 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.784 -0.354 18441 361 1 1 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.968 0.462 18441 362 1 1 . 1 1 76 76 GLN H H 76 7.844 7.844 7.771 0.073 18441 363 1 1 . 1 1 77 77 LEU N N 77 117.932 117.932 117.174 0.758 18441 364 1 1 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.148 0.049 18441 365 1 1 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.367 -0.457 18441 366 1 1 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.588 2.816 18441 367 1 1 . 1 1 77 77 LEU H H 77 7.665 7.665 7.628 0.037 18441 368 1 1 . 1 1 78 78 THR N N 78 110.323 110.323 110.759 -0.436 18441 369 1 1 . 1 1 78 78 THR HA H 78 3.709 3.709 4.349 -0.640 18441 370 1 1 . 1 1 78 78 THR CA C 78 59.750 59.750 59.526 0.224 18441 371 1 1 . 1 1 78 78 THR CB C 78 69.110 69.110 69.513 -0.403 18441 372 1 1 . 1 1 78 78 THR H H 78 7.130 7.130 7.572 -0.442 18441 373 1 1 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.382 -0.136 18441 374 1 1 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.197 0.483 18441 375 1 1 . 1 1 79 79 PRO CB C 79 32.391 32.391 30.121 2.270 18441 376 1 2 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.798 -0.268 18441 377 1 2 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.659 1.931 18441 378 1 2 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.799 -1.106 18441 379 1 2 . 1 1 3 3 ARG N N 3 121.498 121.498 120.900 0.598 18441 380 1 2 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.202 0.039 18441 381 1 2 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.119 -0.449 18441 382 1 2 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.475 0.035 18441 383 1 2 . 1 1 3 3 ARG H H 3 8.382 8.382 8.514 -0.132 18441 384 1 2 . 1 1 4 4 LYS N N 4 122.257 122.257 120.661 1.596 18441 385 1 2 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.081 -0.023 18441 386 1 2 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.098 0.612 18441 387 1 2 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.971 1.305 18441 388 1 2 . 1 1 4 4 LYS H H 4 8.226 8.226 8.369 -0.143 18441 389 1 2 . 1 1 5 5 VAL N N 5 120.494 120.494 117.786 2.708 18441 390 1 2 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.779 -0.058 18441 391 1 2 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.556 1.094 18441 392 1 2 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.593 0.481 18441 393 1 2 . 1 1 5 5 VAL H H 5 8.109 8.109 8.177 -0.068 18441 394 1 2 . 1 1 6 6 ALA N N 6 123.149 123.149 123.049 0.100 18441 395 1 2 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.224 -0.189 18441 396 1 2 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.130 0.760 18441 397 1 2 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.269 0.991 18441 398 1 2 . 1 1 6 6 ALA H H 6 8.374 8.374 7.552 0.822 18441 399 1 2 . 1 1 7 7 ARG N N 7 119.587 119.587 118.683 0.904 18441 400 1 2 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.919 0.082 18441 401 1 2 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.346 0.424 18441 402 1 2 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.037 0.733 18441 403 1 2 . 1 1 7 7 ARG H H 7 7.992 7.992 7.756 0.236 18441 404 1 2 . 1 1 8 8 GLU N N 8 119.745 119.745 120.001 -0.256 18441 405 1 2 . 1 1 8 8 GLU HA H 8 4.058 4.058 3.959 0.099 18441 406 1 2 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.399 0.371 18441 407 1 2 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.763 0.187 18441 408 1 2 . 1 1 8 8 GLU H H 8 8.165 8.165 8.188 -0.023 18441 409 1 2 . 1 1 9 9 PHE N N 9 121.436 121.436 119.712 1.724 18441 410 1 2 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.403 -0.276 18441 411 1 2 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.834 3.186 18441 412 1 2 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.435 1.188 18441 413 1 2 . 1 1 9 9 PHE H H 9 8.180 8.180 8.335 -0.155 18441 414 1 2 . 1 1 10 10 ARG N N 10 119.028 119.028 120.071 -1.043 18441 415 1 2 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.574 0.287 18441 416 1 2 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.515 0.065 18441 417 1 2 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.492 0.828 18441 418 1 2 . 1 1 10 10 ARG H H 10 7.910 7.910 7.890 0.020 18441 419 1 2 . 1 1 11 11 HIS N N 11 116.563 116.563 117.560 -0.997 18441 420 1 2 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.290 0.166 18441 421 1 2 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.195 -0.015 18441 422 1 2 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.824 0.206 18441 423 1 2 . 1 1 11 11 HIS H H 11 8.001 8.001 8.163 -0.162 18441 424 1 2 . 1 1 12 12 LYS N N 12 120.773 120.773 120.147 0.626 18441 425 1 2 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.127 -0.119 18441 426 1 2 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.604 0.376 18441 427 1 2 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.561 0.132 18441 428 1 2 . 1 1 12 12 LYS H H 12 7.796 7.796 7.785 0.011 18441 429 1 2 . 1 1 13 13 VAL N N 13 120.125 120.125 120.368 -0.243 18441 430 1 2 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.567 -0.456 18441 431 1 2 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.034 1.146 18441 432 1 2 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.667 0.473 18441 433 1 2 . 1 1 13 13 VAL H H 13 7.821 7.821 8.130 -0.309 18441 434 1 2 . 1 1 14 14 ASP N N 14 117.462 117.462 119.157 -1.695 18441 435 1 2 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.289 -0.027 18441 436 1 2 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.209 0.191 18441 437 1 2 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.841 0.473 18441 438 1 2 . 1 1 14 14 ASP H H 14 8.276 8.276 7.761 0.515 18441 439 1 2 . 1 1 15 15 PHE N N 15 117.914 117.914 118.938 -1.024 18441 440 1 2 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.230 0.132 18441 441 1 2 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.449 -0.259 18441 442 1 2 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.518 1.180 18441 443 1 2 . 1 1 15 15 PHE H H 15 7.664 7.664 7.705 -0.041 18441 444 1 2 . 1 1 16 16 LEU N N 16 116.737 116.737 116.356 0.381 18441 445 1 2 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.255 -0.021 18441 446 1 2 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.565 1.855 18441 447 1 2 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.337 2.741 18441 448 1 2 . 1 1 16 16 LEU H H 16 7.658 7.658 7.974 -0.316 18441 449 1 2 . 1 1 17 17 ILE N N 17 120.533 120.533 117.472 3.061 18441 450 1 2 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.401 -0.293 18441 451 1 2 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.897 1.643 18441 452 1 2 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.062 1.294 18441 453 1 2 . 1 1 17 17 ILE H H 17 8.336 8.336 7.182 1.154 18441 454 1 2 . 1 1 18 18 GLU N N 18 124.531 124.531 123.747 0.784 18441 455 1 2 . 1 1 18 18 GLU HA H 18 4.210 4.210 3.989 0.221 18441 456 1 2 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.448 0.152 18441 457 1 2 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.843 1.167 18441 458 1 2 . 1 1 18 18 GLU H H 18 8.276 8.276 8.620 -0.344 18441 459 1 2 . 1 1 19 19 ASN N N 19 117.630 117.630 115.705 1.925 18441 460 1 2 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.616 0.189 18441 461 1 2 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.713 0.025 18441 462 1 2 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.240 1.938 18441 463 1 2 . 1 1 19 19 ASN H H 19 7.700 7.700 8.185 -0.485 18441 464 1 2 . 1 1 20 20 ASP N N 20 127.428 127.428 117.173 10.255 18441 465 1 2 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.622 -0.373 18441 466 1 2 . 1 1 20 20 ASP CA C 20 58.850 58.850 55.948 2.902 18441 467 1 2 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.065 0.249 18441 468 1 2 . 1 1 20 20 ASP H H 20 8.998 8.998 8.546 0.452 18441 469 1 2 . 1 1 21 21 ALA N N 21 122.271 122.271 123.351 -1.080 18441 470 1 2 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.125 0.135 18441 471 1 2 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.196 0.804 18441 472 1 2 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.164 0.486 18441 473 1 2 . 1 1 21 21 ALA H H 21 8.346 8.346 8.159 0.187 18441 474 1 2 . 1 1 22 22 GLU N N 22 118.716 118.716 118.214 0.502 18441 475 1 2 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.057 0.057 18441 476 1 2 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.032 0.328 18441 477 1 2 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.970 2.802 18441 478 1 2 . 1 1 22 22 GLU H H 22 7.724 7.724 8.888 -1.164 18441 479 1 2 . 1 1 23 23 LYS N N 23 121.088 121.088 117.586 3.502 18441 480 1 2 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.923 -0.112 18441 481 1 2 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.067 2.603 18441 482 1 2 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.940 1.130 18441 483 1 2 . 1 1 23 23 LYS H H 23 7.618 7.618 8.217 -0.599 18441 484 1 2 . 1 1 24 24 ASP N N 24 119.010 119.010 121.217 -2.207 18441 485 1 2 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.709 -0.220 18441 486 1 2 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.634 0.876 18441 487 1 2 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.733 0.104 18441 488 1 2 . 1 1 24 24 ASP H H 24 8.424 8.424 7.991 0.433 18441 489 1 2 . 1 1 25 25 TYR N N 25 120.417 120.417 120.805 -0.388 18441 490 1 2 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.216 0.027 18441 491 1 2 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.276 0.914 18441 492 1 2 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.562 -0.063 18441 493 1 2 . 1 1 25 25 TYR H H 25 7.676 7.676 8.398 -0.722 18441 494 1 2 . 1 1 26 26 LEU N N 26 120.960 120.960 120.127 0.833 18441 495 1 2 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.871 -0.270 18441 496 1 2 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.547 0.893 18441 497 1 2 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.702 0.449 18441 498 1 2 . 1 1 26 26 LEU H H 26 7.965 7.965 7.888 0.077 18441 499 1 2 . 1 1 27 27 TYR N N 27 116.521 116.521 118.241 -1.720 18441 500 1 2 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.062 -0.286 18441 501 1 2 . 1 1 27 27 TYR CA C 27 64.410 64.410 60.632 3.778 18441 502 1 2 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.337 1.066 18441 503 1 2 . 1 1 27 27 TYR H H 27 8.097 8.097 7.972 0.125 18441 504 1 2 . 1 1 28 28 ASP N N 28 123.384 123.384 119.750 3.634 18441 505 1 2 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.399 0.077 18441 506 1 2 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.654 0.886 18441 507 1 2 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.627 0.767 18441 508 1 2 . 1 1 28 28 ASP H H 28 8.355 8.355 7.898 0.457 18441 509 1 2 . 1 1 29 29 VAL N N 29 121.272 121.272 119.669 1.603 18441 510 1 2 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.499 0.214 18441 511 1 2 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.684 -0.034 18441 512 1 2 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.595 0.323 18441 513 1 2 . 1 1 29 29 VAL H H 29 8.252 8.252 7.736 0.516 18441 514 1 2 . 1 1 30 30 LEU N N 30 122.443 122.443 119.814 2.629 18441 515 1 2 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.064 -0.021 18441 516 1 2 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.327 0.553 18441 517 1 2 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.484 0.797 18441 518 1 2 . 1 1 30 30 LEU H H 30 7.987 7.987 8.277 -0.290 18441 519 1 2 . 1 1 31 31 ARG N N 31 122.386 122.386 118.900 3.486 18441 520 1 2 . 1 1 31 31 ARG HA H 31 4.016 4.016 3.992 0.024 18441 521 1 2 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.857 0.523 18441 522 1 2 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.262 0.139 18441 523 1 2 . 1 1 31 31 ARG H H 31 8.637 8.637 8.464 0.173 18441 524 1 2 . 1 1 32 32 MET N N 32 120.006 120.006 119.474 0.532 18441 525 1 2 . 1 1 32 32 MET HA H 32 4.359 4.359 4.251 0.108 18441 526 1 2 . 1 1 32 32 MET CA C 32 58.490 58.490 58.925 -0.435 18441 527 1 2 . 1 1 32 32 MET CB C 32 31.677 31.677 32.172 -0.495 18441 528 1 2 . 1 1 32 32 MET H H 32 8.327 8.327 7.869 0.458 18441 529 1 2 . 1 1 33 33 TYR N N 33 123.220 123.220 119.585 3.635 18441 530 1 2 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.144 0.580 18441 531 1 2 . 1 1 33 33 TYR CA C 33 61.000 61.000 61.299 -0.299 18441 532 1 2 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.884 1.803 18441 533 1 2 . 1 1 33 33 TYR H H 33 8.054 8.054 8.092 -0.038 18441 534 1 2 . 1 1 34 34 HIS N N 34 120.860 120.860 118.046 2.814 18441 535 1 2 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.389 -0.613 18441 536 1 2 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.569 1.141 18441 537 1 2 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.604 0.788 18441 538 1 2 . 1 1 34 34 HIS H H 34 8.548 8.548 8.009 0.539 18441 539 1 2 . 1 1 35 35 GLN N N 35 113.582 113.582 118.656 -5.074 18441 540 1 2 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.271 -0.271 18441 541 1 2 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.474 0.206 18441 542 1 2 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.634 0.916 18441 543 1 2 . 1 1 35 35 GLN H H 35 7.542 7.542 8.479 -0.937 18441 544 1 2 . 1 1 36 36 THR N N 36 111.117 111.117 110.704 0.413 18441 545 1 2 . 1 1 36 36 THR HA H 36 4.214 4.214 4.265 -0.051 18441 546 1 2 . 1 1 36 36 THR CA C 36 63.980 63.980 62.660 1.319 18441 547 1 2 . 1 1 36 36 THR CB C 36 71.670 71.670 69.556 2.114 18441 548 1 2 . 1 1 36 36 THR H H 36 8.569 8.569 8.212 0.357 18441 549 1 2 . 1 1 37 37 MET N N 37 120.444 120.444 118.220 2.224 18441 550 1 2 . 1 1 37 37 MET HA H 37 3.740 3.740 4.444 -0.704 18441 551 1 2 . 1 1 37 37 MET CA C 37 56.430 56.430 56.152 0.278 18441 552 1 2 . 1 1 37 37 MET CB C 37 31.399 31.399 31.042 0.357 18441 553 1 2 . 1 1 37 37 MET H H 37 9.542 9.542 8.242 1.300 18441 554 1 2 . 1 1 38 38 ASP N N 38 117.020 117.020 119.755 -2.735 18441 555 1 2 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.707 0.237 18441 556 1 2 . 1 1 38 38 ASP CA C 38 53.476 53.476 52.671 0.805 18441 557 1 2 . 1 1 38 38 ASP CB C 38 42.040 42.040 41.931 0.109 18441 558 1 2 . 1 1 38 38 ASP H H 38 7.456 7.456 7.849 -0.393 18441 559 1 2 . 1 1 39 39 VAL N N 39 128.507 128.507 126.051 2.456 18441 560 1 2 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.347 0.484 18441 561 1 2 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.349 0.491 18441 562 1 2 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.463 1.237 18441 563 1 2 . 1 1 39 39 VAL H H 39 8.425 8.425 8.538 -0.113 18441 564 1 2 . 1 1 40 40 ALA N N 40 125.621 125.621 121.705 3.916 18441 565 1 2 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.032 -0.045 18441 566 1 2 . 1 1 40 40 ALA CA C 40 55.860 55.860 54.937 0.923 18441 567 1 2 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.479 -0.009 18441 568 1 2 . 1 1 40 40 ALA H H 40 7.998 7.998 7.731 0.267 18441 569 1 2 . 1 1 41 41 VAL N N 41 122.132 122.132 118.353 3.779 18441 570 1 2 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.732 -0.161 18441 571 1 2 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.035 0.645 18441 572 1 2 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.462 1.240 18441 573 1 2 . 1 1 41 41 VAL H H 41 7.663 7.663 7.482 0.181 18441 574 1 2 . 1 1 42 42 LEU N N 42 120.190 120.190 120.443 -0.253 18441 575 1 2 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.975 0.285 18441 576 1 2 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.674 0.316 18441 577 1 2 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.491 -0.786 18441 578 1 2 . 1 1 42 42 LEU H H 42 7.361 7.361 7.258 0.103 18441 579 1 2 . 1 1 43 43 VAL N N 43 116.802 116.802 118.849 -2.047 18441 580 1 2 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.668 -0.251 18441 581 1 2 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.109 2.671 18441 582 1 2 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.564 1.416 18441 583 1 2 . 1 1 43 43 VAL H H 43 8.062 8.062 7.774 0.288 18441 584 1 2 . 1 1 44 44 GLY N N 44 106.242 106.242 107.676 -1.434 18441 585 1 2 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.302 1.014 18441 586 1 2 . 1 1 44 44 GLY H H 44 7.901 7.901 7.742 0.159 18441 587 1 2 . 1 1 45 45 ASP N N 45 123.359 123.359 123.802 -0.443 18441 588 1 2 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.598 0.067 18441 589 1 2 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.810 -0.050 18441 590 1 2 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.373 0.494 18441 591 1 2 . 1 1 45 45 ASP H H 45 8.680 8.680 7.821 0.859 18441 592 1 2 . 1 1 46 46 LEU N N 46 123.201 123.201 120.306 2.895 18441 593 1 2 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.918 0.148 18441 594 1 2 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.363 -0.243 18441 595 1 2 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.170 0.829 18441 596 1 2 . 1 1 46 46 LEU H H 46 9.018 9.018 8.591 0.427 18441 597 1 2 . 1 1 47 47 LYS N N 47 119.196 119.196 118.889 0.307 18441 598 1 2 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.768 0.202 18441 599 1 2 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.602 0.688 18441 600 1 2 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.125 1.016 18441 601 1 2 . 1 1 47 47 LYS H H 47 8.017 8.017 7.653 0.364 18441 602 1 2 . 1 1 48 48 LEU N N 48 116.358 116.358 119.858 -3.500 18441 603 1 2 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.050 0.111 18441 604 1 2 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.836 -0.166 18441 605 1 2 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.524 -0.364 18441 606 1 2 . 1 1 48 48 LEU H H 48 7.143 7.143 7.764 -0.621 18441 607 1 2 . 1 1 49 49 VAL N N 49 112.662 112.662 115.562 -2.900 18441 608 1 2 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.100 0.373 18441 609 1 2 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.619 -0.559 18441 610 1 2 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.824 2.342 18441 611 1 2 . 1 1 49 49 VAL H H 49 7.266 7.266 7.649 -0.383 18441 612 1 2 . 1 1 50 50 ILE N N 50 124.631 124.631 117.779 6.852 18441 613 1 2 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.364 -0.519 18441 614 1 2 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.424 1.166 18441 615 1 2 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.388 -3.227 18441 616 1 2 . 1 1 50 50 ILE H H 50 8.475 8.475 7.610 0.865 18441 617 1 2 . 1 1 51 51 ASN N N 51 119.027 119.027 119.188 -0.161 18441 618 1 2 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.461 0.246 18441 619 1 2 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.153 0.295 18441 620 1 2 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.385 0.576 18441 621 1 2 . 1 1 51 51 ASN H H 51 7.347 7.347 7.997 -0.650 18441 622 1 2 . 1 1 52 52 GLU N N 52 115.889 115.889 117.681 -1.792 18441 623 1 2 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.636 0.252 18441 624 1 2 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.936 1.849 18441 625 1 2 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.931 -0.911 18441 626 1 2 . 1 1 52 52 GLU H H 52 7.438 7.438 7.592 -0.154 18441 627 1 2 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.268 -0.058 18441 628 1 2 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.535 1.425 18441 629 1 2 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.966 0.982 18441 630 1 2 . 1 1 54 54 SER N N 54 113.711 113.711 112.077 1.634 18441 631 1 2 . 1 1 54 54 SER HA H 54 4.173 4.173 4.388 -0.215 18441 632 1 2 . 1 1 54 54 SER CA C 54 61.650 61.650 60.064 1.586 18441 633 1 2 . 1 1 54 54 SER CB C 54 62.930 62.930 63.137 -0.207 18441 634 1 2 . 1 1 54 54 SER H H 54 8.946 8.946 8.227 0.719 18441 635 1 2 . 1 1 55 55 ARG N N 55 116.455 116.455 118.612 -2.157 18441 636 1 2 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.368 0.036 18441 637 1 2 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.524 0.786 18441 638 1 2 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.288 3.324 18441 639 1 2 . 1 1 55 55 ARG H H 55 7.759 7.759 7.545 0.214 18441 640 1 2 . 1 1 56 56 LEU N N 56 121.468 121.468 123.273 -1.805 18441 641 1 2 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.250 -0.115 18441 642 1 2 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.734 0.166 18441 643 1 2 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.514 1.483 18441 644 1 2 . 1 1 56 56 LEU H H 56 7.472 7.472 8.146 -0.674 18441 645 1 2 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.213 0.483 18441 646 1 2 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.233 -0.053 18441 647 1 2 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.130 1.260 18441 648 1 2 . 1 1 58 58 LEU N N 58 119.923 119.923 117.263 2.660 18441 649 1 2 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.165 -0.115 18441 650 1 2 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.407 0.913 18441 651 1 2 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.584 0.444 18441 652 1 2 . 1 1 58 58 LEU H H 58 8.734 8.734 7.516 1.218 18441 653 1 2 . 1 1 59 59 PHE N N 59 116.632 116.632 121.251 -4.619 18441 654 1 2 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.312 0.167 18441 655 1 2 . 1 1 59 59 PHE CA C 59 63.080 63.080 60.493 2.587 18441 656 1 2 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.883 -0.031 18441 657 1 2 . 1 1 59 59 PHE H H 59 8.312 8.312 8.697 -0.385 18441 658 1 2 . 1 1 60 60 ASP N N 60 120.603 120.603 118.686 1.917 18441 659 1 2 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.447 0.224 18441 660 1 2 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.218 1.652 18441 661 1 2 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.022 0.519 18441 662 1 2 . 1 1 60 60 ASP H H 60 7.462 7.462 7.821 -0.359 18441 663 1 2 . 1 1 61 61 ALA N N 61 122.470 122.470 123.452 -0.982 18441 664 1 2 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.925 0.336 18441 665 1 2 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.632 -0.086 18441 666 1 2 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.523 0.357 18441 667 1 2 . 1 1 61 61 ALA H H 61 7.664 7.664 7.554 0.110 18441 668 1 2 . 1 1 62 62 ILE N N 62 115.525 115.525 117.748 -2.223 18441 669 1 2 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.966 0.716 18441 670 1 2 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.234 0.185 18441 671 1 2 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.922 2.233 18441 672 1 2 . 1 1 62 62 ILE H H 62 7.653 7.653 7.458 0.195 18441 673 1 2 . 1 1 63 63 ARG N N 63 121.016 121.016 120.024 0.992 18441 674 1 2 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.495 -0.021 18441 675 1 2 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.511 0.859 18441 676 1 2 . 1 1 63 63 ARG H H 63 6.917 6.917 7.270 -0.353 18441 677 1 2 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.111 0.200 18441 678 1 2 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.559 0.181 18441 679 1 2 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.007 1.180 18441 680 1 2 . 1 1 65 65 LEU N N 65 114.713 114.713 115.829 -1.116 18441 681 1 2 . 1 1 65 65 LEU HA H 65 3.920 3.920 3.985 -0.065 18441 682 1 2 . 1 1 65 65 LEU CA C 65 55.660 55.660 55.911 -0.251 18441 683 1 2 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.795 0.312 18441 684 1 2 . 1 1 65 65 LEU H H 65 8.074 8.074 7.482 0.592 18441 685 1 2 . 1 1 66 66 ILE N N 66 120.129 120.129 118.546 1.583 18441 686 1 2 . 1 1 66 66 ILE HA H 66 4.305 4.305 3.829 0.476 18441 687 1 2 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.376 -4.616 18441 688 1 2 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.265 -0.621 18441 689 1 2 . 1 1 66 66 ILE H H 66 7.398 7.398 7.392 0.006 18441 690 1 2 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.219 0.086 18441 691 1 2 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.449 1.191 18441 692 1 2 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.239 1.050 18441 693 1 2 . 1 1 68 68 LEU N N 68 124.673 124.673 123.102 1.571 18441 694 1 2 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.944 -0.094 18441 695 1 2 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.192 0.428 18441 696 1 2 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.916 0.551 18441 697 1 2 . 1 1 68 68 LEU H H 68 8.471 8.471 8.335 0.136 18441 698 1 2 . 1 1 69 69 LYS N N 69 115.247 115.247 116.900 -1.653 18441 699 1 2 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.074 0.095 18441 700 1 2 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.233 -0.213 18441 701 1 2 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.012 1.494 18441 702 1 2 . 1 1 69 69 LYS H H 69 8.536 8.536 8.684 -0.148 18441 703 1 2 . 1 1 70 70 HIS N N 70 118.849 118.849 118.712 0.137 18441 704 1 2 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.423 0.802 18441 705 1 2 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.432 -3.543 18441 706 1 2 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.613 5.425 18441 707 1 2 . 1 1 70 70 HIS H H 70 8.060 8.060 8.396 -0.336 18441 708 1 2 . 1 1 71 71 GLN N N 71 122.130 122.130 119.387 2.743 18441 709 1 2 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.000 -0.301 18441 710 1 2 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.502 2.188 18441 711 1 2 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.733 0.517 18441 712 1 2 . 1 1 71 71 GLN H H 71 7.732 7.732 8.566 -0.834 18441 713 1 2 . 1 1 72 72 VAL N N 72 119.182 119.182 119.440 -0.258 18441 714 1 2 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.717 0.091 18441 715 1 2 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.521 0.699 18441 716 1 2 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.118 0.696 18441 717 1 2 . 1 1 72 72 VAL H H 72 8.203 8.203 7.574 0.629 18441 718 1 2 . 1 1 73 73 GLU N N 73 121.878 121.878 120.204 1.674 18441 719 1 2 . 1 1 73 73 GLU HA H 73 3.978 3.978 3.998 -0.020 18441 720 1 2 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.347 0.753 18441 721 1 2 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.663 0.997 18441 722 1 2 . 1 1 73 73 GLU H H 73 8.136 8.136 7.837 0.299 18441 723 1 2 . 1 1 74 74 TYR N N 74 119.780 119.780 120.904 -1.124 18441 724 1 2 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.107 -0.430 18441 725 1 2 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.781 1.529 18441 726 1 2 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.426 1.594 18441 727 1 2 . 1 1 74 74 TYR H H 74 8.491 8.491 8.598 -0.107 18441 728 1 2 . 1 1 75 75 ASP N N 75 120.231 120.231 119.157 1.074 18441 729 1 2 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.465 -0.322 18441 730 1 2 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.350 1.210 18441 731 1 2 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.877 -0.299 18441 732 1 2 . 1 1 75 75 ASP H H 75 8.566 8.566 8.004 0.562 18441 733 1 2 . 1 1 76 76 GLN N N 76 118.324 118.324 117.495 0.829 18441 734 1 2 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.099 -0.043 18441 735 1 2 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.275 0.155 18441 736 1 2 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.320 0.110 18441 737 1 2 . 1 1 76 76 GLN H H 76 7.844 7.844 7.614 0.230 18441 738 1 2 . 1 1 77 77 LEU N N 77 117.932 117.932 116.682 1.250 18441 739 1 2 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.344 -0.147 18441 740 1 2 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.688 0.222 18441 741 1 2 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.413 2.991 18441 742 1 2 . 1 1 77 77 LEU H H 77 7.665 7.665 7.558 0.107 18441 743 1 2 . 1 1 78 78 THR N N 78 110.323 110.323 111.077 -0.754 18441 744 1 2 . 1 1 78 78 THR HA H 78 3.709 3.709 4.117 -0.408 18441 745 1 2 . 1 1 78 78 THR CA C 78 59.750 59.750 64.077 -4.327 18441 746 1 2 . 1 1 78 78 THR CB C 78 69.110 69.110 67.289 1.821 18441 747 1 2 . 1 1 78 78 THR H H 78 7.130 7.130 7.757 -0.627 18441 748 1 2 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.385 -0.139 18441 749 1 2 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.857 0.823 18441 750 1 2 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.236 0.155 18441 751 1 3 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.420 0.110 18441 752 1 3 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.939 0.651 18441 753 1 3 . 1 1 2 2 ASP CB C 2 41.693 41.693 40.836 0.857 18441 754 1 3 . 1 1 3 3 ARG N N 3 121.498 121.498 118.460 3.038 18441 755 1 3 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.283 -0.042 18441 756 1 3 . 1 1 3 3 ARG CA C 3 57.670 57.670 56.581 1.089 18441 757 1 3 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.677 -0.167 18441 758 1 3 . 1 1 3 3 ARG H H 3 8.382 8.382 8.120 0.262 18441 759 1 3 . 1 1 4 4 LYS N N 4 122.257 122.257 121.455 0.802 18441 760 1 3 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.109 -0.051 18441 761 1 3 . 1 1 4 4 LYS CA C 4 59.710 59.710 58.687 1.023 18441 762 1 3 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.470 1.806 18441 763 1 3 . 1 1 4 4 LYS H H 4 8.226 8.226 8.322 -0.096 18441 764 1 3 . 1 1 5 5 VAL N N 5 120.494 120.494 117.258 3.236 18441 765 1 3 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.792 -0.071 18441 766 1 3 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.076 0.574 18441 767 1 3 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.425 0.649 18441 768 1 3 . 1 1 5 5 VAL H H 5 8.109 8.109 8.128 -0.019 18441 769 1 3 . 1 1 6 6 ALA N N 6 123.149 123.149 123.017 0.132 18441 770 1 3 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.292 -0.257 18441 771 1 3 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.261 0.629 18441 772 1 3 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.373 0.887 18441 773 1 3 . 1 1 6 6 ALA H H 6 8.374 8.374 7.370 1.004 18441 774 1 3 . 1 1 7 7 ARG N N 7 119.587 119.587 118.515 1.072 18441 775 1 3 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.844 0.157 18441 776 1 3 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.134 0.636 18441 777 1 3 . 1 1 7 7 ARG CB C 7 30.770 30.770 29.903 0.867 18441 778 1 3 . 1 1 7 7 ARG H H 7 7.992 7.992 7.941 0.050 18441 779 1 3 . 1 1 8 8 GLU N N 8 119.745 119.745 120.071 -0.326 18441 780 1 3 . 1 1 8 8 GLU HA H 8 4.058 4.058 3.903 0.155 18441 781 1 3 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.463 0.307 18441 782 1 3 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.754 0.196 18441 783 1 3 . 1 1 8 8 GLU H H 8 8.165 8.165 8.084 0.081 18441 784 1 3 . 1 1 9 9 PHE N N 9 121.436 121.436 119.495 1.941 18441 785 1 3 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.384 -0.257 18441 786 1 3 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.017 3.003 18441 787 1 3 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.625 0.998 18441 788 1 3 . 1 1 9 9 PHE H H 9 8.180 8.180 8.218 -0.038 18441 789 1 3 . 1 1 10 10 ARG N N 10 119.028 119.028 119.995 -0.967 18441 790 1 3 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.436 0.425 18441 791 1 3 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.396 0.184 18441 792 1 3 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.397 0.923 18441 793 1 3 . 1 1 10 10 ARG H H 10 7.910 7.910 7.926 -0.016 18441 794 1 3 . 1 1 11 11 HIS N N 11 116.563 116.563 117.703 -1.140 18441 795 1 3 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.267 0.189 18441 796 1 3 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.770 0.410 18441 797 1 3 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.827 0.203 18441 798 1 3 . 1 1 11 11 HIS H H 11 8.001 8.001 8.192 -0.191 18441 799 1 3 . 1 1 12 12 LYS N N 12 120.773 120.773 119.584 1.189 18441 800 1 3 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.161 -0.153 18441 801 1 3 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.659 0.321 18441 802 1 3 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.377 0.316 18441 803 1 3 . 1 1 12 12 LYS H H 12 7.796 7.796 7.799 -0.003 18441 804 1 3 . 1 1 13 13 VAL N N 13 120.125 120.125 120.030 0.095 18441 805 1 3 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.698 -0.587 18441 806 1 3 . 1 1 13 13 VAL CA C 13 68.180 68.180 65.977 2.203 18441 807 1 3 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.115 1.025 18441 808 1 3 . 1 1 13 13 VAL H H 13 7.821 7.821 7.917 -0.096 18441 809 1 3 . 1 1 14 14 ASP N N 14 117.462 117.462 119.527 -2.065 18441 810 1 3 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.378 -0.116 18441 811 1 3 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.074 0.326 18441 812 1 3 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.683 0.631 18441 813 1 3 . 1 1 14 14 ASP H H 14 8.276 8.276 7.852 0.424 18441 814 1 3 . 1 1 15 15 PHE N N 15 117.914 117.914 121.007 -3.093 18441 815 1 3 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.367 -0.005 18441 816 1 3 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.190 0.000 18441 817 1 3 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.547 1.151 18441 818 1 3 . 1 1 15 15 PHE H H 15 7.664 7.664 7.803 -0.139 18441 819 1 3 . 1 1 16 16 LEU N N 16 116.737 116.737 115.971 0.766 18441 820 1 3 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.199 0.035 18441 821 1 3 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.199 2.221 18441 822 1 3 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.167 2.911 18441 823 1 3 . 1 1 16 16 LEU H H 16 7.658 7.658 7.566 0.092 18441 824 1 3 . 1 1 17 17 ILE N N 17 120.533 120.533 117.644 2.889 18441 825 1 3 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.401 -0.293 18441 826 1 3 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.285 1.255 18441 827 1 3 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.364 0.993 18441 828 1 3 . 1 1 17 17 ILE H H 17 8.336 8.336 7.175 1.161 18441 829 1 3 . 1 1 18 18 GLU N N 18 124.531 124.531 123.767 0.764 18441 830 1 3 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.174 0.036 18441 831 1 3 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.192 0.408 18441 832 1 3 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.447 1.563 18441 833 1 3 . 1 1 18 18 GLU H H 18 8.276 8.276 8.609 -0.333 18441 834 1 3 . 1 1 19 19 ASN N N 19 117.630 117.630 117.449 0.181 18441 835 1 3 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.509 0.296 18441 836 1 3 . 1 1 19 19 ASN CA C 19 53.738 53.738 55.775 -2.037 18441 837 1 3 . 1 1 19 19 ASN CB C 19 41.178 41.178 38.792 2.386 18441 838 1 3 . 1 1 19 19 ASN H H 19 7.700 7.700 8.351 -0.651 18441 839 1 3 . 1 1 20 20 ASP N N 20 127.428 127.428 116.957 10.471 18441 840 1 3 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.213 0.036 18441 841 1 3 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.976 1.874 18441 842 1 3 . 1 1 20 20 ASP CB C 20 41.314 41.314 39.240 2.074 18441 843 1 3 . 1 1 20 20 ASP H H 20 8.998 8.998 7.815 1.183 18441 844 1 3 . 1 1 21 21 ALA N N 21 122.271 122.271 121.918 0.353 18441 845 1 3 . 1 1 21 21 ALA HA H 21 4.260 4.260 3.961 0.299 18441 846 1 3 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.224 0.776 18441 847 1 3 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.490 0.160 18441 848 1 3 . 1 1 21 21 ALA H H 21 8.346 8.346 7.795 0.551 18441 849 1 3 . 1 1 22 22 GLU N N 22 118.716 118.716 117.695 1.021 18441 850 1 3 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.982 0.133 18441 851 1 3 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.862 0.498 18441 852 1 3 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.065 2.707 18441 853 1 3 . 1 1 22 22 GLU H H 22 7.724 7.724 8.858 -1.134 18441 854 1 3 . 1 1 23 23 LYS N N 23 121.088 121.088 118.047 3.041 18441 855 1 3 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.809 0.002 18441 856 1 3 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.075 2.595 18441 857 1 3 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.064 1.006 18441 858 1 3 . 1 1 23 23 LYS H H 23 7.618 7.618 7.378 0.240 18441 859 1 3 . 1 1 24 24 ASP N N 24 119.010 119.010 120.381 -1.371 18441 860 1 3 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.259 0.230 18441 861 1 3 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.162 1.348 18441 862 1 3 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.678 0.159 18441 863 1 3 . 1 1 24 24 ASP H H 24 8.424 8.424 7.754 0.670 18441 864 1 3 . 1 1 25 25 TYR N N 25 120.417 120.417 120.890 -0.473 18441 865 1 3 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.122 0.121 18441 866 1 3 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.365 0.825 18441 867 1 3 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.378 0.121 18441 868 1 3 . 1 1 25 25 TYR H H 25 7.676 7.676 8.060 -0.384 18441 869 1 3 . 1 1 26 26 LEU N N 26 120.960 120.960 119.646 1.314 18441 870 1 3 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.824 -0.223 18441 871 1 3 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.960 0.480 18441 872 1 3 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.611 0.540 18441 873 1 3 . 1 1 26 26 LEU H H 26 7.965 7.965 7.698 0.267 18441 874 1 3 . 1 1 27 27 TYR N N 27 116.521 116.521 117.775 -1.254 18441 875 1 3 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.059 -0.283 18441 876 1 3 . 1 1 27 27 TYR CA C 27 64.410 64.410 58.945 5.465 18441 877 1 3 . 1 1 27 27 TYR CB C 27 38.403 38.403 36.941 1.462 18441 878 1 3 . 1 1 27 27 TYR H H 27 8.097 8.097 7.620 0.477 18441 879 1 3 . 1 1 28 28 ASP N N 28 123.384 123.384 119.876 3.508 18441 880 1 3 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.379 0.097 18441 881 1 3 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.985 0.555 18441 882 1 3 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.898 0.496 18441 883 1 3 . 1 1 28 28 ASP H H 28 8.355 8.355 7.808 0.547 18441 884 1 3 . 1 1 29 29 VAL N N 29 121.272 121.272 119.604 1.668 18441 885 1 3 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.532 0.181 18441 886 1 3 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.689 -0.039 18441 887 1 3 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.557 0.361 18441 888 1 3 . 1 1 29 29 VAL H H 29 8.252 8.252 7.790 0.462 18441 889 1 3 . 1 1 30 30 LEU N N 30 122.443 122.443 120.184 2.259 18441 890 1 3 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.008 0.035 18441 891 1 3 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.447 0.433 18441 892 1 3 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.584 0.697 18441 893 1 3 . 1 1 30 30 LEU H H 30 7.987 7.987 7.981 0.006 18441 894 1 3 . 1 1 31 31 ARG N N 31 122.386 122.386 118.527 3.859 18441 895 1 3 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.009 0.007 18441 896 1 3 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.739 0.641 18441 897 1 3 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.245 0.155 18441 898 1 3 . 1 1 31 31 ARG H H 31 8.637 8.637 8.225 0.412 18441 899 1 3 . 1 1 32 32 MET N N 32 120.006 120.006 119.632 0.374 18441 900 1 3 . 1 1 32 32 MET HA H 32 4.359 4.359 4.177 0.182 18441 901 1 3 . 1 1 32 32 MET CA C 32 58.490 58.490 59.050 -0.560 18441 902 1 3 . 1 1 32 32 MET CB C 32 31.677 31.677 32.417 -0.740 18441 903 1 3 . 1 1 32 32 MET H H 32 8.327 8.327 8.064 0.263 18441 904 1 3 . 1 1 33 33 TYR N N 33 123.220 123.220 120.772 2.448 18441 905 1 3 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.124 0.600 18441 906 1 3 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.873 0.127 18441 907 1 3 . 1 1 33 33 TYR CB C 33 39.687 39.687 38.022 1.665 18441 908 1 3 . 1 1 33 33 TYR H H 33 8.054 8.054 8.242 -0.188 18441 909 1 3 . 1 1 34 34 HIS N N 34 120.860 120.860 117.367 3.493 18441 910 1 3 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.253 -0.477 18441 911 1 3 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.621 1.089 18441 912 1 3 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.408 0.984 18441 913 1 3 . 1 1 34 34 HIS H H 34 8.548 8.548 7.939 0.609 18441 914 1 3 . 1 1 35 35 GLN N N 35 113.582 113.582 118.189 -4.607 18441 915 1 3 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.202 -0.202 18441 916 1 3 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.471 0.209 18441 917 1 3 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.515 1.035 18441 918 1 3 . 1 1 35 35 GLN H H 35 7.542 7.542 8.360 -0.818 18441 919 1 3 . 1 1 36 36 THR N N 36 111.117 111.117 111.320 -0.203 18441 920 1 3 . 1 1 36 36 THR HA H 36 4.214 4.214 4.127 0.087 18441 921 1 3 . 1 1 36 36 THR CA C 36 63.980 63.980 63.583 0.397 18441 922 1 3 . 1 1 36 36 THR CB C 36 71.670 71.670 69.824 1.846 18441 923 1 3 . 1 1 36 36 THR H H 36 8.569 8.569 8.196 0.373 18441 924 1 3 . 1 1 37 37 MET N N 37 120.444 120.444 115.077 5.367 18441 925 1 3 . 1 1 37 37 MET HA H 37 3.740 3.740 4.070 -0.330 18441 926 1 3 . 1 1 37 37 MET CA C 37 56.430 56.430 56.331 0.099 18441 927 1 3 . 1 1 37 37 MET CB C 37 31.399 31.399 30.425 0.974 18441 928 1 3 . 1 1 37 37 MET H H 37 9.542 9.542 7.449 2.093 18441 929 1 3 . 1 1 38 38 ASP N N 38 117.020 117.020 120.892 -3.872 18441 930 1 3 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.878 0.066 18441 931 1 3 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.446 0.030 18441 932 1 3 . 1 1 38 38 ASP CB C 38 42.040 42.040 43.108 -1.068 18441 933 1 3 . 1 1 38 38 ASP H H 38 7.456 7.456 7.815 -0.359 18441 934 1 3 . 1 1 39 39 VAL N N 39 128.507 128.507 124.964 3.543 18441 935 1 3 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.967 -0.136 18441 936 1 3 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.229 0.611 18441 937 1 3 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.508 1.192 18441 938 1 3 . 1 1 39 39 VAL H H 39 8.425 8.425 8.706 -0.281 18441 939 1 3 . 1 1 40 40 ALA N N 40 125.621 125.621 122.900 2.721 18441 940 1 3 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.201 -0.214 18441 941 1 3 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.183 0.677 18441 942 1 3 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.482 -0.012 18441 943 1 3 . 1 1 40 40 ALA H H 40 7.998 7.998 8.162 -0.164 18441 944 1 3 . 1 1 41 41 VAL N N 41 122.132 122.132 118.253 3.879 18441 945 1 3 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.788 -0.217 18441 946 1 3 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.785 0.895 18441 947 1 3 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.342 1.360 18441 948 1 3 . 1 1 41 41 VAL H H 41 7.663 7.663 7.513 0.150 18441 949 1 3 . 1 1 42 42 LEU N N 42 120.190 120.190 119.937 0.253 18441 950 1 3 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.972 0.288 18441 951 1 3 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.045 0.945 18441 952 1 3 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.067 -0.362 18441 953 1 3 . 1 1 42 42 LEU H H 42 7.361 7.361 7.396 -0.035 18441 954 1 3 . 1 1 43 43 VAL N N 43 116.802 116.802 118.268 -1.466 18441 955 1 3 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.641 -0.224 18441 956 1 3 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.396 3.384 18441 957 1 3 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.305 1.675 18441 958 1 3 . 1 1 43 43 VAL H H 43 8.062 8.062 7.818 0.244 18441 959 1 3 . 1 1 44 44 GLY N N 44 106.242 106.242 108.001 -1.759 18441 960 1 3 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.362 0.954 18441 961 1 3 . 1 1 44 44 GLY H H 44 7.901 7.901 7.941 -0.040 18441 962 1 3 . 1 1 45 45 ASP N N 45 123.359 123.359 123.877 -0.518 18441 963 1 3 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.655 0.010 18441 964 1 3 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.516 0.244 18441 965 1 3 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.428 0.440 18441 966 1 3 . 1 1 45 45 ASP H H 45 8.680 8.680 7.858 0.822 18441 967 1 3 . 1 1 46 46 LEU N N 46 123.201 123.201 120.493 2.708 18441 968 1 3 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.864 0.202 18441 969 1 3 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.754 -0.634 18441 970 1 3 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.924 1.075 18441 971 1 3 . 1 1 46 46 LEU H H 46 9.018 9.018 8.575 0.443 18441 972 1 3 . 1 1 47 47 LYS N N 47 119.196 119.196 118.989 0.207 18441 973 1 3 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.136 -0.166 18441 974 1 3 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.862 0.428 18441 975 1 3 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.241 0.900 18441 976 1 3 . 1 1 47 47 LYS H H 47 8.017 8.017 7.815 0.202 18441 977 1 3 . 1 1 48 48 LEU N N 48 116.358 116.358 119.759 -3.401 18441 978 1 3 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.997 0.164 18441 979 1 3 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.743 -0.073 18441 980 1 3 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.544 -0.384 18441 981 1 3 . 1 1 48 48 LEU H H 48 7.143 7.143 7.786 -0.643 18441 982 1 3 . 1 1 49 49 VAL N N 49 112.662 112.662 114.564 -1.902 18441 983 1 3 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.140 0.333 18441 984 1 3 . 1 1 49 49 VAL CA C 49 62.060 62.060 63.025 -0.965 18441 985 1 3 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.946 2.220 18441 986 1 3 . 1 1 49 49 VAL H H 49 7.266 7.266 7.685 -0.419 18441 987 1 3 . 1 1 50 50 ILE N N 50 124.631 124.631 118.996 5.635 18441 988 1 3 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.344 -0.499 18441 989 1 3 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.969 0.621 18441 990 1 3 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.963 -3.802 18441 991 1 3 . 1 1 50 50 ILE H H 50 8.475 8.475 7.810 0.665 18441 992 1 3 . 1 1 51 51 ASN N N 51 119.027 119.027 119.328 -0.301 18441 993 1 3 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.608 0.099 18441 994 1 3 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.974 -0.525 18441 995 1 3 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.564 0.397 18441 996 1 3 . 1 1 51 51 ASN H H 51 7.347 7.347 8.053 -0.706 18441 997 1 3 . 1 1 52 52 GLU N N 52 115.889 115.889 118.512 -2.623 18441 998 1 3 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.800 0.088 18441 999 1 3 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.140 1.645 18441 1000 1 3 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.349 0.671 18441 1001 1 3 . 1 1 52 52 GLU H H 52 7.438 7.438 7.553 -0.115 18441 1002 1 3 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.202 0.008 18441 1003 1 3 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.471 1.489 18441 1004 1 3 . 1 1 53 53 PRO CB C 53 32.948 32.948 32.003 0.945 18441 1005 1 3 . 1 1 54 54 SER N N 54 113.711 113.711 109.891 3.820 18441 1006 1 3 . 1 1 54 54 SER HA H 54 4.173 4.173 4.330 -0.157 18441 1007 1 3 . 1 1 54 54 SER CA C 54 61.650 61.650 60.377 1.272 18441 1008 1 3 . 1 1 54 54 SER CB C 54 62.930 62.930 63.329 -0.399 18441 1009 1 3 . 1 1 54 54 SER H H 54 8.946 8.946 8.144 0.802 18441 1010 1 3 . 1 1 55 55 ARG N N 55 116.455 116.455 118.966 -2.511 18441 1011 1 3 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.348 0.056 18441 1012 1 3 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.132 0.178 18441 1013 1 3 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.509 3.103 18441 1014 1 3 . 1 1 55 55 ARG H H 55 7.759 7.759 7.816 -0.057 18441 1015 1 3 . 1 1 56 56 LEU N N 56 121.468 121.468 123.285 -1.817 18441 1016 1 3 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.249 -0.114 18441 1017 1 3 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.910 -0.010 18441 1018 1 3 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.556 1.441 18441 1019 1 3 . 1 1 56 56 LEU H H 56 7.472 7.472 8.444 -0.972 18441 1020 1 3 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.216 0.480 18441 1021 1 3 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.115 0.065 18441 1022 1 3 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.151 1.239 18441 1023 1 3 . 1 1 58 58 LEU N N 58 119.923 119.923 117.811 2.112 18441 1024 1 3 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.151 -0.101 18441 1025 1 3 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.640 0.680 18441 1026 1 3 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.566 0.462 18441 1027 1 3 . 1 1 58 58 LEU H H 58 8.734 8.734 7.686 1.048 18441 1028 1 3 . 1 1 59 59 PHE N N 59 116.632 116.632 120.971 -4.339 18441 1029 1 3 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.189 0.290 18441 1030 1 3 . 1 1 59 59 PHE CA C 59 63.080 63.080 62.268 0.812 18441 1031 1 3 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.175 -0.323 18441 1032 1 3 . 1 1 59 59 PHE H H 59 8.312 8.312 8.559 -0.247 18441 1033 1 3 . 1 1 60 60 ASP N N 60 120.603 120.603 118.324 2.279 18441 1034 1 3 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.466 0.205 18441 1035 1 3 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.347 1.523 18441 1036 1 3 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.880 0.661 18441 1037 1 3 . 1 1 60 60 ASP H H 60 7.462 7.462 7.830 -0.368 18441 1038 1 3 . 1 1 61 61 ALA N N 61 122.470 122.470 122.780 -0.310 18441 1039 1 3 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.946 0.315 18441 1040 1 3 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.408 0.138 18441 1041 1 3 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.691 0.189 18441 1042 1 3 . 1 1 61 61 ALA H H 61 7.664 7.664 7.629 0.035 18441 1043 1 3 . 1 1 62 62 ILE N N 62 115.525 115.525 117.660 -2.135 18441 1044 1 3 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.871 0.811 18441 1045 1 3 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.068 0.352 18441 1046 1 3 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.863 2.292 18441 1047 1 3 . 1 1 62 62 ILE H H 62 7.653 7.653 7.682 -0.029 18441 1048 1 3 . 1 1 63 63 ARG N N 63 121.016 121.016 120.107 0.909 18441 1049 1 3 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.458 0.016 18441 1050 1 3 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.712 0.658 18441 1051 1 3 . 1 1 63 63 ARG H H 63 6.917 6.917 7.229 -0.312 18441 1052 1 3 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.117 0.194 18441 1053 1 3 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.553 0.187 18441 1054 1 3 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.039 1.148 18441 1055 1 3 . 1 1 65 65 LEU N N 65 114.713 114.713 115.067 -0.354 18441 1056 1 3 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.041 -0.121 18441 1057 1 3 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.130 -0.470 18441 1058 1 3 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.816 0.292 18441 1059 1 3 . 1 1 65 65 LEU H H 65 8.074 8.074 7.457 0.617 18441 1060 1 3 . 1 1 66 66 ILE N N 66 120.129 120.129 118.489 1.640 18441 1061 1 3 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.095 0.210 18441 1062 1 3 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.406 -4.646 18441 1063 1 3 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.383 -0.739 18441 1064 1 3 . 1 1 66 66 ILE H H 66 7.398 7.398 7.473 -0.075 18441 1065 1 3 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.303 0.002 18441 1066 1 3 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.782 0.858 18441 1067 1 3 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.293 0.996 18441 1068 1 3 . 1 1 68 68 LEU N N 68 124.673 124.673 123.184 1.489 18441 1069 1 3 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.961 -0.111 18441 1070 1 3 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.165 0.455 18441 1071 1 3 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.485 0.982 18441 1072 1 3 . 1 1 68 68 LEU H H 68 8.471 8.471 8.360 0.111 18441 1073 1 3 . 1 1 69 69 LYS N N 69 115.247 115.247 117.365 -2.118 18441 1074 1 3 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.041 0.128 18441 1075 1 3 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.416 -0.396 18441 1076 1 3 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.191 1.315 18441 1077 1 3 . 1 1 69 69 LYS H H 69 8.536 8.536 8.581 -0.045 18441 1078 1 3 . 1 1 70 70 HIS N N 70 118.849 118.849 118.532 0.317 18441 1079 1 3 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.418 0.807 18441 1080 1 3 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.495 -3.606 18441 1081 1 3 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.585 5.453 18441 1082 1 3 . 1 1 70 70 HIS H H 70 8.060 8.060 8.323 -0.263 18441 1083 1 3 . 1 1 71 71 GLN N N 71 122.130 122.130 119.817 2.313 18441 1084 1 3 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.036 -0.337 18441 1085 1 3 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.559 2.131 18441 1086 1 3 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.812 0.438 18441 1087 1 3 . 1 1 71 71 GLN H H 71 7.732 7.732 8.401 -0.669 18441 1088 1 3 . 1 1 72 72 VAL N N 72 119.182 119.182 120.174 -0.992 18441 1089 1 3 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.591 0.217 18441 1090 1 3 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.968 0.252 18441 1091 1 3 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.529 0.285 18441 1092 1 3 . 1 1 72 72 VAL H H 72 8.203 8.203 7.827 0.376 18441 1093 1 3 . 1 1 73 73 GLU N N 73 121.878 121.878 120.280 1.598 18441 1094 1 3 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.016 -0.038 18441 1095 1 3 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.576 0.524 18441 1096 1 3 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.798 0.862 18441 1097 1 3 . 1 1 73 73 GLU H H 73 8.136 8.136 7.836 0.300 18441 1098 1 3 . 1 1 74 74 TYR N N 74 119.780 119.780 120.508 -0.728 18441 1099 1 3 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.157 -0.480 18441 1100 1 3 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.572 1.738 18441 1101 1 3 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.459 1.561 18441 1102 1 3 . 1 1 74 74 TYR H H 74 8.491 8.491 8.673 -0.182 18441 1103 1 3 . 1 1 75 75 ASP N N 75 120.231 120.231 119.221 1.010 18441 1104 1 3 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.456 -0.313 18441 1105 1 3 . 1 1 75 75 ASP CA C 75 57.560 57.560 58.029 -0.469 18441 1106 1 3 . 1 1 75 75 ASP CB C 75 40.578 40.578 41.012 -0.434 18441 1107 1 3 . 1 1 75 75 ASP H H 75 8.566 8.566 8.466 0.100 18441 1108 1 3 . 1 1 76 76 GLN N N 76 118.324 118.324 118.497 -0.173 18441 1109 1 3 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.114 -0.058 18441 1110 1 3 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.558 -0.128 18441 1111 1 3 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.933 0.497 18441 1112 1 3 . 1 1 76 76 GLN H H 76 7.844 7.844 7.945 -0.101 18441 1113 1 3 . 1 1 77 77 LEU N N 77 117.932 117.932 117.906 0.026 18441 1114 1 3 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.305 -0.108 18441 1115 1 3 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.204 -0.294 18441 1116 1 3 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.347 3.057 18441 1117 1 3 . 1 1 77 77 LEU H H 77 7.665 7.665 7.645 0.020 18441 1118 1 3 . 1 1 78 78 THR N N 78 110.323 110.323 112.146 -1.823 18441 1119 1 3 . 1 1 78 78 THR HA H 78 3.709 3.709 4.092 -0.383 18441 1120 1 3 . 1 1 78 78 THR CA C 78 59.750 59.750 65.648 -5.898 18441 1121 1 3 . 1 1 78 78 THR CB C 78 69.110 69.110 67.390 1.720 18441 1122 1 3 . 1 1 78 78 THR H H 78 7.130 7.130 7.847 -0.717 18441 1123 1 3 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.494 -0.248 18441 1124 1 3 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.223 1.457 18441 1125 1 3 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.103 0.288 18441 1126 1 4 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.715 -0.185 18441 1127 1 4 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.560 1.030 18441 1128 1 4 . 1 1 2 2 ASP CB C 2 41.693 41.693 40.817 0.876 18441 1129 1 4 . 1 1 3 3 ARG N N 3 121.498 121.498 120.728 0.770 18441 1130 1 4 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.317 -0.076 18441 1131 1 4 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.550 0.120 18441 1132 1 4 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.653 -0.143 18441 1133 1 4 . 1 1 3 3 ARG H H 3 8.382 8.382 8.255 0.127 18441 1134 1 4 . 1 1 4 4 LYS N N 4 122.257 122.257 119.727 2.530 18441 1135 1 4 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.101 -0.043 18441 1136 1 4 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.186 0.524 18441 1137 1 4 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.228 1.048 18441 1138 1 4 . 1 1 4 4 LYS H H 4 8.226 8.226 8.333 -0.107 18441 1139 1 4 . 1 1 5 5 VAL N N 5 120.494 120.494 118.115 2.379 18441 1140 1 4 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.781 -0.060 18441 1141 1 4 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.032 0.618 18441 1142 1 4 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.616 0.458 18441 1143 1 4 . 1 1 5 5 VAL H H 5 8.109 8.109 7.990 0.119 18441 1144 1 4 . 1 1 6 6 ALA N N 6 123.149 123.149 122.792 0.357 18441 1145 1 4 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.236 -0.201 18441 1146 1 4 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.114 0.776 18441 1147 1 4 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.345 0.916 18441 1148 1 4 . 1 1 6 6 ALA H H 6 8.374 8.374 7.819 0.555 18441 1149 1 4 . 1 1 7 7 ARG N N 7 119.587 119.587 118.684 0.903 18441 1150 1 4 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.895 0.106 18441 1151 1 4 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.221 0.549 18441 1152 1 4 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.244 0.527 18441 1153 1 4 . 1 1 7 7 ARG H H 7 7.992 7.992 7.842 0.150 18441 1154 1 4 . 1 1 8 8 GLU N N 8 119.745 119.745 120.471 -0.726 18441 1155 1 4 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.173 -0.115 18441 1156 1 4 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.237 0.533 18441 1157 1 4 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.362 0.588 18441 1158 1 4 . 1 1 8 8 GLU H H 8 8.165 8.165 8.231 -0.066 18441 1159 1 4 . 1 1 9 9 PHE N N 9 121.436 121.436 119.737 1.699 18441 1160 1 4 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.420 -0.293 18441 1161 1 4 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.765 3.255 18441 1162 1 4 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.488 1.135 18441 1163 1 4 . 1 1 9 9 PHE H H 9 8.180 8.180 8.118 0.062 18441 1164 1 4 . 1 1 10 10 ARG N N 10 119.028 119.028 119.778 -0.750 18441 1165 1 4 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.590 0.271 18441 1166 1 4 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.985 0.595 18441 1167 1 4 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.287 1.033 18441 1168 1 4 . 1 1 10 10 ARG H H 10 7.910 7.910 7.967 -0.057 18441 1169 1 4 . 1 1 11 11 HIS N N 11 116.563 116.563 118.275 -1.712 18441 1170 1 4 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.243 0.213 18441 1171 1 4 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.913 0.267 18441 1172 1 4 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.953 0.077 18441 1173 1 4 . 1 1 11 11 HIS H H 11 8.001 8.001 8.242 -0.241 18441 1174 1 4 . 1 1 12 12 LYS N N 12 120.773 120.773 119.121 1.652 18441 1175 1 4 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.024 -0.016 18441 1176 1 4 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.663 0.317 18441 1177 1 4 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.408 0.285 18441 1178 1 4 . 1 1 12 12 LYS H H 12 7.796 7.796 7.778 0.018 18441 1179 1 4 . 1 1 13 13 VAL N N 13 120.125 120.125 120.318 -0.193 18441 1180 1 4 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.689 -0.578 18441 1181 1 4 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.160 2.020 18441 1182 1 4 . 1 1 13 13 VAL CB C 13 32.140 32.140 30.985 1.155 18441 1183 1 4 . 1 1 13 13 VAL H H 13 7.821 7.821 8.082 -0.261 18441 1184 1 4 . 1 1 14 14 ASP N N 14 117.462 117.462 119.228 -1.766 18441 1185 1 4 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.363 -0.101 18441 1186 1 4 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.143 0.257 18441 1187 1 4 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.805 0.509 18441 1188 1 4 . 1 1 14 14 ASP H H 14 8.276 8.276 7.811 0.465 18441 1189 1 4 . 1 1 15 15 PHE N N 15 117.914 117.914 119.245 -1.331 18441 1190 1 4 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.339 0.023 18441 1191 1 4 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.348 -0.158 18441 1192 1 4 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.522 1.176 18441 1193 1 4 . 1 1 15 15 PHE H H 15 7.664 7.664 7.733 -0.069 18441 1194 1 4 . 1 1 16 16 LEU N N 16 116.737 116.737 116.409 0.328 18441 1195 1 4 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.134 0.100 18441 1196 1 4 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.471 1.949 18441 1197 1 4 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.173 2.905 18441 1198 1 4 . 1 1 16 16 LEU H H 16 7.658 7.658 8.026 -0.368 18441 1199 1 4 . 1 1 17 17 ILE N N 17 120.533 120.533 116.919 3.614 18441 1200 1 4 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.321 -0.213 18441 1201 1 4 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.245 1.295 18441 1202 1 4 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.602 0.755 18441 1203 1 4 . 1 1 17 17 ILE H H 17 8.336 8.336 7.171 1.165 18441 1204 1 4 . 1 1 18 18 GLU N N 18 124.531 124.531 122.966 1.565 18441 1205 1 4 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.042 0.168 18441 1206 1 4 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.283 0.317 18441 1207 1 4 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.479 1.531 18441 1208 1 4 . 1 1 18 18 GLU H H 18 8.276 8.276 8.605 -0.329 18441 1209 1 4 . 1 1 19 19 ASN N N 19 117.630 117.630 118.333 -0.703 18441 1210 1 4 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.617 0.188 18441 1211 1 4 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.855 -0.117 18441 1212 1 4 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.280 1.898 18441 1213 1 4 . 1 1 19 19 ASN H H 19 7.700 7.700 8.114 -0.414 18441 1214 1 4 . 1 1 20 20 ASP N N 20 127.428 127.428 118.964 8.464 18441 1215 1 4 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.716 -0.467 18441 1216 1 4 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.140 2.710 18441 1217 1 4 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.590 -0.276 18441 1218 1 4 . 1 1 20 20 ASP H H 20 8.998 8.998 8.708 0.290 18441 1219 1 4 . 1 1 21 21 ALA N N 21 122.271 122.271 123.176 -0.905 18441 1220 1 4 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.062 0.198 18441 1221 1 4 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.793 0.207 18441 1222 1 4 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.198 0.452 18441 1223 1 4 . 1 1 21 21 ALA H H 21 8.346 8.346 7.784 0.562 18441 1224 1 4 . 1 1 22 22 GLU N N 22 118.716 118.716 117.932 0.784 18441 1225 1 4 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.033 0.081 18441 1226 1 4 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.190 0.170 18441 1227 1 4 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.053 2.719 18441 1228 1 4 . 1 1 22 22 GLU H H 22 7.724 7.724 8.899 -1.175 18441 1229 1 4 . 1 1 23 23 LYS N N 23 121.088 121.088 117.462 3.626 18441 1230 1 4 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.752 0.059 18441 1231 1 4 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.140 2.530 18441 1232 1 4 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.749 1.321 18441 1233 1 4 . 1 1 23 23 LYS H H 23 7.618 7.618 8.102 -0.484 18441 1234 1 4 . 1 1 24 24 ASP N N 24 119.010 119.010 121.035 -2.025 18441 1235 1 4 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.542 -0.053 18441 1236 1 4 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.399 1.111 18441 1237 1 4 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.227 0.610 18441 1238 1 4 . 1 1 24 24 ASP H H 24 8.424 8.424 7.552 0.872 18441 1239 1 4 . 1 1 25 25 TYR N N 25 120.417 120.417 120.758 -0.341 18441 1240 1 4 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.189 0.054 18441 1241 1 4 . 1 1 25 25 TYR CA C 25 62.190 62.190 60.990 1.200 18441 1242 1 4 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.440 0.060 18441 1243 1 4 . 1 1 25 25 TYR H H 25 7.676 7.676 8.271 -0.595 18441 1244 1 4 . 1 1 26 26 LEU N N 26 120.960 120.960 119.959 1.001 18441 1245 1 4 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.883 -0.282 18441 1246 1 4 . 1 1 26 26 LEU CA C 26 59.440 59.440 59.252 0.188 18441 1247 1 4 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.627 0.524 18441 1248 1 4 . 1 1 26 26 LEU H H 26 7.965 7.965 7.975 -0.010 18441 1249 1 4 . 1 1 27 27 TYR N N 27 116.521 116.521 117.969 -1.448 18441 1250 1 4 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.130 -0.354 18441 1251 1 4 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.208 5.202 18441 1252 1 4 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.141 1.262 18441 1253 1 4 . 1 1 27 27 TYR H H 27 8.097 8.097 8.176 -0.079 18441 1254 1 4 . 1 1 28 28 ASP N N 28 123.384 123.384 119.895 3.489 18441 1255 1 4 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.488 -0.012 18441 1256 1 4 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.444 1.096 18441 1257 1 4 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.873 0.521 18441 1258 1 4 . 1 1 28 28 ASP H H 28 8.355 8.355 7.947 0.408 18441 1259 1 4 . 1 1 29 29 VAL N N 29 121.272 121.272 120.905 0.367 18441 1260 1 4 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.685 0.028 18441 1261 1 4 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.428 -0.778 18441 1262 1 4 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.992 -0.075 18441 1263 1 4 . 1 1 29 29 VAL H H 29 8.252 8.252 8.207 0.045 18441 1264 1 4 . 1 1 30 30 LEU N N 30 122.443 122.443 119.402 3.041 18441 1265 1 4 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.088 -0.045 18441 1266 1 4 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.459 0.421 18441 1267 1 4 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.538 0.743 18441 1268 1 4 . 1 1 30 30 LEU H H 30 7.987 7.987 8.350 -0.363 18441 1269 1 4 . 1 1 31 31 ARG N N 31 122.386 122.386 119.028 3.358 18441 1270 1 4 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.067 -0.051 18441 1271 1 4 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.839 0.541 18441 1272 1 4 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.234 0.166 18441 1273 1 4 . 1 1 31 31 ARG H H 31 8.637 8.637 8.056 0.581 18441 1274 1 4 . 1 1 32 32 MET N N 32 120.006 120.006 119.362 0.644 18441 1275 1 4 . 1 1 32 32 MET HA H 32 4.359 4.359 4.168 0.191 18441 1276 1 4 . 1 1 32 32 MET CA C 32 58.490 58.490 59.490 -1.000 18441 1277 1 4 . 1 1 32 32 MET CB C 32 31.677 31.677 32.312 -0.635 18441 1278 1 4 . 1 1 32 32 MET H H 32 8.327 8.327 8.444 -0.117 18441 1279 1 4 . 1 1 33 33 TYR N N 33 123.220 123.220 121.494 1.726 18441 1280 1 4 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.373 0.351 18441 1281 1 4 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.250 0.750 18441 1282 1 4 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.858 1.829 18441 1283 1 4 . 1 1 33 33 TYR H H 33 8.054 8.054 8.574 -0.520 18441 1284 1 4 . 1 1 34 34 HIS N N 34 120.860 120.860 117.183 3.677 18441 1285 1 4 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.133 -0.357 18441 1286 1 4 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.265 1.445 18441 1287 1 4 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.334 1.058 18441 1288 1 4 . 1 1 34 34 HIS H H 34 8.548 8.548 8.149 0.399 18441 1289 1 4 . 1 1 35 35 GLN N N 35 113.582 113.582 118.942 -5.360 18441 1290 1 4 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.249 -0.249 18441 1291 1 4 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.554 0.126 18441 1292 1 4 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.723 0.827 18441 1293 1 4 . 1 1 35 35 GLN H H 35 7.542 7.542 8.562 -1.020 18441 1294 1 4 . 1 1 36 36 THR N N 36 111.117 111.117 108.795 2.322 18441 1295 1 4 . 1 1 36 36 THR HA H 36 4.214 4.214 4.367 -0.153 18441 1296 1 4 . 1 1 36 36 THR CA C 36 63.980 63.980 61.957 2.023 18441 1297 1 4 . 1 1 36 36 THR CB C 36 71.670 71.670 69.779 1.891 18441 1298 1 4 . 1 1 36 36 THR H H 36 8.569 8.569 8.390 0.179 18441 1299 1 4 . 1 1 37 37 MET N N 37 120.444 120.444 117.565 2.879 18441 1300 1 4 . 1 1 37 37 MET HA H 37 3.740 3.740 4.198 -0.458 18441 1301 1 4 . 1 1 37 37 MET CA C 37 56.430 56.430 56.377 0.053 18441 1302 1 4 . 1 1 37 37 MET CB C 37 31.399 31.399 30.681 0.718 18441 1303 1 4 . 1 1 37 37 MET H H 37 9.542 9.542 7.593 1.949 18441 1304 1 4 . 1 1 38 38 ASP N N 38 117.020 117.020 120.750 -3.730 18441 1305 1 4 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.854 0.090 18441 1306 1 4 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.417 0.059 18441 1307 1 4 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.172 -0.132 18441 1308 1 4 . 1 1 38 38 ASP H H 38 7.456 7.456 7.831 -0.375 18441 1309 1 4 . 1 1 39 39 VAL N N 39 128.507 128.507 125.187 3.320 18441 1310 1 4 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.702 0.129 18441 1311 1 4 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.468 0.372 18441 1312 1 4 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.662 1.038 18441 1313 1 4 . 1 1 39 39 VAL H H 39 8.425 8.425 8.809 -0.384 18441 1314 1 4 . 1 1 40 40 ALA N N 40 125.621 125.621 122.637 2.984 18441 1315 1 4 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.119 -0.132 18441 1316 1 4 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.290 0.570 18441 1317 1 4 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.387 0.083 18441 1318 1 4 . 1 1 40 40 ALA H H 40 7.998 7.998 7.732 0.266 18441 1319 1 4 . 1 1 41 41 VAL N N 41 122.132 122.132 118.796 3.336 18441 1320 1 4 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.734 -0.163 18441 1321 1 4 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.149 0.531 18441 1322 1 4 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.982 0.720 18441 1323 1 4 . 1 1 41 41 VAL H H 41 7.663 7.663 7.640 0.023 18441 1324 1 4 . 1 1 42 42 LEU N N 42 120.190 120.190 119.164 1.026 18441 1325 1 4 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.171 0.089 18441 1326 1 4 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.268 0.722 18441 1327 1 4 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.691 0.014 18441 1328 1 4 . 1 1 42 42 LEU H H 42 7.361 7.361 7.339 0.022 18441 1329 1 4 . 1 1 43 43 VAL N N 43 116.802 116.802 120.026 -3.224 18441 1330 1 4 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.622 -0.205 18441 1331 1 4 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.615 3.165 18441 1332 1 4 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.559 1.421 18441 1333 1 4 . 1 1 43 43 VAL H H 43 8.062 8.062 7.742 0.321 18441 1334 1 4 . 1 1 44 44 GLY N N 44 106.242 106.242 108.052 -1.810 18441 1335 1 4 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.325 0.991 18441 1336 1 4 . 1 1 44 44 GLY H H 44 7.901 7.901 7.814 0.087 18441 1337 1 4 . 1 1 45 45 ASP N N 45 123.359 123.359 123.417 -0.058 18441 1338 1 4 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.340 0.325 18441 1339 1 4 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.277 0.483 18441 1340 1 4 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.426 0.442 18441 1341 1 4 . 1 1 45 45 ASP H H 45 8.680 8.680 7.812 0.868 18441 1342 1 4 . 1 1 46 46 LEU N N 46 123.201 123.201 120.305 2.896 18441 1343 1 4 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.830 0.236 18441 1344 1 4 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.088 0.032 18441 1345 1 4 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.007 0.992 18441 1346 1 4 . 1 1 46 46 LEU H H 46 9.018 9.018 8.568 0.450 18441 1347 1 4 . 1 1 47 47 LYS N N 47 119.196 119.196 119.159 0.037 18441 1348 1 4 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.853 0.117 18441 1349 1 4 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.595 0.695 18441 1350 1 4 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.075 1.066 18441 1351 1 4 . 1 1 47 47 LYS H H 47 8.017 8.017 7.722 0.295 18441 1352 1 4 . 1 1 48 48 LEU N N 48 116.358 116.358 119.988 -3.630 18441 1353 1 4 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.932 0.229 18441 1354 1 4 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.613 0.057 18441 1355 1 4 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.295 -0.135 18441 1356 1 4 . 1 1 48 48 LEU H H 48 7.143 7.143 7.432 -0.289 18441 1357 1 4 . 1 1 49 49 VAL N N 49 112.662 112.662 113.805 -1.143 18441 1358 1 4 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.937 0.536 18441 1359 1 4 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.385 -0.325 18441 1360 1 4 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.274 2.892 18441 1361 1 4 . 1 1 49 49 VAL H H 49 7.266 7.266 7.210 0.056 18441 1362 1 4 . 1 1 50 50 ILE N N 50 124.631 124.631 117.880 6.751 18441 1363 1 4 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.335 -0.490 18441 1364 1 4 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.252 1.337 18441 1365 1 4 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.817 -3.656 18441 1366 1 4 . 1 1 50 50 ILE H H 50 8.475 8.475 7.559 0.916 18441 1367 1 4 . 1 1 51 51 ASN N N 51 119.027 119.027 119.037 -0.010 18441 1368 1 4 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.433 0.274 18441 1369 1 4 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.305 0.143 18441 1370 1 4 . 1 1 51 51 ASN CB C 51 38.961 38.961 37.937 1.024 18441 1371 1 4 . 1 1 51 51 ASN H H 51 7.347 7.347 8.144 -0.797 18441 1372 1 4 . 1 1 52 52 GLU N N 52 115.889 115.889 116.984 -1.095 18441 1373 1 4 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.757 0.131 18441 1374 1 4 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.500 2.285 18441 1375 1 4 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.205 -0.185 18441 1376 1 4 . 1 1 52 52 GLU H H 52 7.438 7.438 7.419 0.019 18441 1377 1 4 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.190 0.020 18441 1378 1 4 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.181 1.778 18441 1379 1 4 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.926 1.022 18441 1380 1 4 . 1 1 54 54 SER N N 54 113.711 113.711 111.482 2.229 18441 1381 1 4 . 1 1 54 54 SER HA H 54 4.173 4.173 4.333 -0.160 18441 1382 1 4 . 1 1 54 54 SER CA C 54 61.650 61.650 60.190 1.460 18441 1383 1 4 . 1 1 54 54 SER CB C 54 62.930 62.930 63.366 -0.436 18441 1384 1 4 . 1 1 54 54 SER H H 54 8.946 8.946 8.087 0.859 18441 1385 1 4 . 1 1 55 55 ARG N N 55 116.455 116.455 118.513 -2.058 18441 1386 1 4 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.354 0.050 18441 1387 1 4 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.534 0.776 18441 1388 1 4 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.459 3.153 18441 1389 1 4 . 1 1 55 55 ARG H H 55 7.759 7.759 7.688 0.071 18441 1390 1 4 . 1 1 56 56 LEU N N 56 121.468 121.468 123.305 -1.837 18441 1391 1 4 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.199 -0.064 18441 1392 1 4 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.849 0.051 18441 1393 1 4 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.536 1.461 18441 1394 1 4 . 1 1 56 56 LEU H H 56 7.472 7.472 8.223 -0.751 18441 1395 1 4 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.189 0.507 18441 1396 1 4 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.226 -0.046 18441 1397 1 4 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.108 1.282 18441 1398 1 4 . 1 1 58 58 LEU N N 58 119.923 119.923 117.115 2.808 18441 1399 1 4 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.144 -0.094 18441 1400 1 4 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.280 1.040 18441 1401 1 4 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.531 0.497 18441 1402 1 4 . 1 1 58 58 LEU H H 58 8.734 8.734 7.490 1.244 18441 1403 1 4 . 1 1 59 59 PHE N N 59 116.632 116.632 121.247 -4.615 18441 1404 1 4 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.237 0.242 18441 1405 1 4 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.380 1.700 18441 1406 1 4 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.944 -0.092 18441 1407 1 4 . 1 1 59 59 PHE H H 59 8.312 8.312 8.703 -0.391 18441 1408 1 4 . 1 1 60 60 ASP N N 60 120.603 120.603 118.732 1.871 18441 1409 1 4 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.476 0.195 18441 1410 1 4 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.265 1.605 18441 1411 1 4 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.008 0.533 18441 1412 1 4 . 1 1 60 60 ASP H H 60 7.462 7.462 7.826 -0.364 18441 1413 1 4 . 1 1 61 61 ALA N N 61 122.470 122.470 122.899 -0.429 18441 1414 1 4 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.983 0.278 18441 1415 1 4 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.420 0.126 18441 1416 1 4 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.346 0.534 18441 1417 1 4 . 1 1 61 61 ALA H H 61 7.664 7.664 7.511 0.153 18441 1418 1 4 . 1 1 62 62 ILE N N 62 115.525 115.525 117.978 -2.453 18441 1419 1 4 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.002 0.680 18441 1420 1 4 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.554 -0.134 18441 1421 1 4 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.871 2.284 18441 1422 1 4 . 1 1 62 62 ILE H H 62 7.653 7.653 7.426 0.227 18441 1423 1 4 . 1 1 63 63 ARG N N 63 121.016 121.016 119.873 1.143 18441 1424 1 4 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.461 0.013 18441 1425 1 4 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.532 0.838 18441 1426 1 4 . 1 1 63 63 ARG H H 63 6.917 6.917 7.208 -0.291 18441 1427 1 4 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.123 0.188 18441 1428 1 4 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.564 0.176 18441 1429 1 4 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.057 1.130 18441 1430 1 4 . 1 1 65 65 LEU N N 65 114.713 114.713 115.103 -0.390 18441 1431 1 4 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.050 -0.130 18441 1432 1 4 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.166 -0.506 18441 1433 1 4 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.846 0.263 18441 1434 1 4 . 1 1 65 65 LEU H H 65 8.074 8.074 7.519 0.555 18441 1435 1 4 . 1 1 66 66 ILE N N 66 120.129 120.129 118.899 1.230 18441 1436 1 4 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.105 0.200 18441 1437 1 4 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.828 -5.068 18441 1438 1 4 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.518 -0.874 18441 1439 1 4 . 1 1 66 66 ILE H H 66 7.398 7.398 7.505 -0.107 18441 1440 1 4 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.318 -0.013 18441 1441 1 4 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.695 0.945 18441 1442 1 4 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.334 0.955 18441 1443 1 4 . 1 1 68 68 LEU N N 68 124.673 124.673 123.352 1.321 18441 1444 1 4 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.984 -0.134 18441 1445 1 4 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.575 0.045 18441 1446 1 4 . 1 1 68 68 LEU CB C 68 42.467 42.467 42.074 0.393 18441 1447 1 4 . 1 1 68 68 LEU H H 68 8.471 8.471 8.331 0.140 18441 1448 1 4 . 1 1 69 69 LYS N N 69 115.247 115.247 118.794 -3.547 18441 1449 1 4 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.055 0.114 18441 1450 1 4 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.761 -0.741 18441 1451 1 4 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.928 0.578 18441 1452 1 4 . 1 1 69 69 LYS H H 69 8.536 8.536 8.451 0.085 18441 1453 1 4 . 1 1 70 70 HIS N N 70 118.849 118.849 117.153 1.696 18441 1454 1 4 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.308 0.917 18441 1455 1 4 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.566 -3.677 18441 1456 1 4 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.685 5.353 18441 1457 1 4 . 1 1 70 70 HIS H H 70 8.060 8.060 8.477 -0.417 18441 1458 1 4 . 1 1 71 71 GLN N N 71 122.130 122.130 119.690 2.440 18441 1459 1 4 . 1 1 71 71 GLN HA H 71 3.699 3.699 3.997 -0.298 18441 1460 1 4 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.539 2.151 18441 1461 1 4 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.747 0.503 18441 1462 1 4 . 1 1 71 71 GLN H H 71 7.732 7.732 8.363 -0.631 18441 1463 1 4 . 1 1 72 72 VAL N N 72 119.182 119.182 119.862 -0.680 18441 1464 1 4 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.575 0.233 18441 1465 1 4 . 1 1 72 72 VAL CA C 72 67.220 67.220 67.341 -0.120 18441 1466 1 4 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.680 0.134 18441 1467 1 4 . 1 1 72 72 VAL H H 72 8.203 8.203 7.730 0.473 18441 1468 1 4 . 1 1 73 73 GLU N N 73 121.878 121.878 119.964 1.914 18441 1469 1 4 . 1 1 73 73 GLU HA H 73 3.978 3.978 3.971 0.007 18441 1470 1 4 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.489 0.611 18441 1471 1 4 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.670 0.990 18441 1472 1 4 . 1 1 73 73 GLU H H 73 8.136 8.136 7.846 0.290 18441 1473 1 4 . 1 1 74 74 TYR N N 74 119.780 119.780 120.722 -0.942 18441 1474 1 4 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.062 -0.385 18441 1475 1 4 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.830 1.480 18441 1476 1 4 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.456 1.564 18441 1477 1 4 . 1 1 74 74 TYR H H 74 8.491 8.491 8.510 -0.019 18441 1478 1 4 . 1 1 75 75 ASP N N 75 120.231 120.231 117.851 2.380 18441 1479 1 4 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.385 -0.242 18441 1480 1 4 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.616 -0.056 18441 1481 1 4 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.953 -0.375 18441 1482 1 4 . 1 1 75 75 ASP H H 75 8.566 8.566 8.311 0.255 18441 1483 1 4 . 1 1 76 76 GLN N N 76 118.324 118.324 116.362 1.962 18441 1484 1 4 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.039 0.017 18441 1485 1 4 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.121 0.309 18441 1486 1 4 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.233 0.197 18441 1487 1 4 . 1 1 76 76 GLN H H 76 7.844 7.844 7.726 0.118 18441 1488 1 4 . 1 1 77 77 LEU N N 77 117.932 117.932 116.910 1.022 18441 1489 1 4 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.096 0.101 18441 1490 1 4 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.052 -0.142 18441 1491 1 4 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.492 2.913 18441 1492 1 4 . 1 1 77 77 LEU H H 77 7.665 7.665 7.487 0.178 18441 1493 1 4 . 1 1 78 78 THR N N 78 110.323 110.323 110.019 0.304 18441 1494 1 4 . 1 1 78 78 THR HA H 78 3.709 3.709 4.607 -0.898 18441 1495 1 4 . 1 1 78 78 THR CA C 78 59.750 59.750 59.300 0.451 18441 1496 1 4 . 1 1 78 78 THR CB C 78 69.110 69.110 69.723 -0.613 18441 1497 1 4 . 1 1 78 78 THR H H 78 7.130 7.130 7.365 -0.235 18441 1498 1 4 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.439 -0.193 18441 1499 1 4 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.032 0.648 18441 1500 1 4 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.453 0.938 18441 1501 1 5 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.938 -0.408 18441 1502 1 5 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.182 2.408 18441 1503 1 5 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.731 -1.038 18441 1504 1 5 . 1 1 3 3 ARG N N 3 121.498 121.498 120.312 1.186 18441 1505 1 5 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.127 0.114 18441 1506 1 5 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.594 -0.924 18441 1507 1 5 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.436 0.074 18441 1508 1 5 . 1 1 3 3 ARG H H 3 8.382 8.382 8.628 -0.246 18441 1509 1 5 . 1 1 4 4 LYS N N 4 122.257 122.257 119.601 2.656 18441 1510 1 5 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.056 0.002 18441 1511 1 5 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.027 0.683 18441 1512 1 5 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.570 1.706 18441 1513 1 5 . 1 1 4 4 LYS H H 4 8.226 8.226 8.239 -0.013 18441 1514 1 5 . 1 1 5 5 VAL N N 5 120.494 120.494 119.004 1.490 18441 1515 1 5 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.807 -0.086 18441 1516 1 5 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.226 1.424 18441 1517 1 5 . 1 1 5 5 VAL CB C 5 32.074 32.074 30.744 1.330 18441 1518 1 5 . 1 1 5 5 VAL H H 5 8.109 8.109 7.970 0.139 18441 1519 1 5 . 1 1 6 6 ALA N N 6 123.149 123.149 122.852 0.297 18441 1520 1 5 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.195 -0.160 18441 1521 1 5 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.344 0.546 18441 1522 1 5 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.307 0.953 18441 1523 1 5 . 1 1 6 6 ALA H H 6 8.374 8.374 7.447 0.927 18441 1524 1 5 . 1 1 7 7 ARG N N 7 119.587 119.587 118.414 1.173 18441 1525 1 5 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.793 0.208 18441 1526 1 5 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.349 0.421 18441 1527 1 5 . 1 1 7 7 ARG CB C 7 30.770 30.770 29.911 0.859 18441 1528 1 5 . 1 1 7 7 ARG H H 7 7.992 7.992 7.677 0.315 18441 1529 1 5 . 1 1 8 8 GLU N N 8 119.745 119.745 119.838 -0.093 18441 1530 1 5 . 1 1 8 8 GLU HA H 8 4.058 4.058 3.903 0.155 18441 1531 1 5 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.489 0.281 18441 1532 1 5 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.824 0.126 18441 1533 1 5 . 1 1 8 8 GLU H H 8 8.165 8.165 7.856 0.309 18441 1534 1 5 . 1 1 9 9 PHE N N 9 121.436 121.436 119.255 2.181 18441 1535 1 5 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.355 -0.228 18441 1536 1 5 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.000 3.020 18441 1537 1 5 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.419 1.204 18441 1538 1 5 . 1 1 9 9 PHE H H 9 8.180 8.180 8.183 -0.003 18441 1539 1 5 . 1 1 10 10 ARG N N 10 119.028 119.028 119.772 -0.744 18441 1540 1 5 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.647 0.214 18441 1541 1 5 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.425 0.155 18441 1542 1 5 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.591 0.729 18441 1543 1 5 . 1 1 10 10 ARG H H 10 7.910 7.910 7.844 0.066 18441 1544 1 5 . 1 1 11 11 HIS N N 11 116.563 116.563 118.065 -1.502 18441 1545 1 5 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.244 0.212 18441 1546 1 5 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.859 0.321 18441 1547 1 5 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.808 0.222 18441 1548 1 5 . 1 1 11 11 HIS H H 11 8.001 8.001 8.134 -0.133 18441 1549 1 5 . 1 1 12 12 LYS N N 12 120.773 120.773 119.401 1.372 18441 1550 1 5 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.136 -0.128 18441 1551 1 5 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.789 0.191 18441 1552 1 5 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.339 0.354 18441 1553 1 5 . 1 1 12 12 LYS H H 12 7.796 7.796 7.802 -0.006 18441 1554 1 5 . 1 1 13 13 VAL N N 13 120.125 120.125 119.386 0.739 18441 1555 1 5 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.612 -0.501 18441 1556 1 5 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.211 0.969 18441 1557 1 5 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.725 0.415 18441 1558 1 5 . 1 1 13 13 VAL H H 13 7.821 7.821 7.306 0.514 18441 1559 1 5 . 1 1 14 14 ASP N N 14 117.462 117.462 119.129 -1.667 18441 1560 1 5 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.295 -0.033 18441 1561 1 5 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.048 0.352 18441 1562 1 5 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.848 0.466 18441 1563 1 5 . 1 1 14 14 ASP H H 14 8.276 8.276 7.819 0.457 18441 1564 1 5 . 1 1 15 15 PHE N N 15 117.914 117.914 119.001 -1.087 18441 1565 1 5 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.222 0.140 18441 1566 1 5 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.429 -0.239 18441 1567 1 5 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.520 1.178 18441 1568 1 5 . 1 1 15 15 PHE H H 15 7.664 7.664 7.668 -0.004 18441 1569 1 5 . 1 1 16 16 LEU N N 16 116.737 116.737 117.469 -0.732 18441 1570 1 5 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.344 -0.110 18441 1571 1 5 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.535 1.885 18441 1572 1 5 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.813 2.265 18441 1573 1 5 . 1 1 16 16 LEU H H 16 7.658 7.658 7.782 -0.124 18441 1574 1 5 . 1 1 17 17 ILE N N 17 120.533 120.533 117.488 3.045 18441 1575 1 5 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.315 -0.207 18441 1576 1 5 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.589 0.951 18441 1577 1 5 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.733 0.624 18441 1578 1 5 . 1 1 17 17 ILE H H 17 8.336 8.336 7.200 1.136 18441 1579 1 5 . 1 1 18 18 GLU N N 18 124.531 124.531 123.162 1.369 18441 1580 1 5 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.025 0.185 18441 1581 1 5 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.293 0.307 18441 1582 1 5 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.451 1.559 18441 1583 1 5 . 1 1 18 18 GLU H H 18 8.276 8.276 8.544 -0.268 18441 1584 1 5 . 1 1 19 19 ASN N N 19 117.630 117.630 118.093 -0.463 18441 1585 1 5 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.611 0.194 18441 1586 1 5 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.755 -0.017 18441 1587 1 5 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.394 1.784 18441 1588 1 5 . 1 1 19 19 ASN H H 19 7.700 7.700 8.122 -0.422 18441 1589 1 5 . 1 1 20 20 ASP N N 20 127.428 127.428 119.718 7.710 18441 1590 1 5 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.712 -0.463 18441 1591 1 5 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.348 2.502 18441 1592 1 5 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.446 -0.132 18441 1593 1 5 . 1 1 20 20 ASP H H 20 8.998 8.998 8.759 0.239 18441 1594 1 5 . 1 1 21 21 ALA N N 21 122.271 122.271 123.136 -0.865 18441 1595 1 5 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.098 0.162 18441 1596 1 5 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.649 0.351 18441 1597 1 5 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.274 0.376 18441 1598 1 5 . 1 1 21 21 ALA H H 21 8.346 8.346 7.761 0.585 18441 1599 1 5 . 1 1 22 22 GLU N N 22 118.716 118.716 118.105 0.611 18441 1600 1 5 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.008 0.106 18441 1601 1 5 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.193 0.167 18441 1602 1 5 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.088 2.683 18441 1603 1 5 . 1 1 22 22 GLU H H 22 7.724 7.724 8.861 -1.137 18441 1604 1 5 . 1 1 23 23 LYS N N 23 121.088 121.088 117.434 3.654 18441 1605 1 5 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.865 -0.054 18441 1606 1 5 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.300 2.370 18441 1607 1 5 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.932 1.138 18441 1608 1 5 . 1 1 23 23 LYS H H 23 7.618 7.618 7.998 -0.380 18441 1609 1 5 . 1 1 24 24 ASP N N 24 119.010 119.010 120.893 -1.883 18441 1610 1 5 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.705 -0.216 18441 1611 1 5 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.256 1.254 18441 1612 1 5 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.681 0.156 18441 1613 1 5 . 1 1 24 24 ASP H H 24 8.424 8.424 7.707 0.717 18441 1614 1 5 . 1 1 25 25 TYR N N 25 120.417 120.417 120.375 0.042 18441 1615 1 5 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.221 0.022 18441 1616 1 5 . 1 1 25 25 TYR CA C 25 62.190 62.190 60.961 1.229 18441 1617 1 5 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.596 -0.097 18441 1618 1 5 . 1 1 25 25 TYR H H 25 7.676 7.676 8.245 -0.569 18441 1619 1 5 . 1 1 26 26 LEU N N 26 120.960 120.960 121.078 -0.118 18441 1620 1 5 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.823 -0.222 18441 1621 1 5 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.556 0.884 18441 1622 1 5 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.794 0.357 18441 1623 1 5 . 1 1 26 26 LEU H H 26 7.965 7.965 7.984 -0.019 18441 1624 1 5 . 1 1 27 27 TYR N N 27 116.521 116.521 118.030 -1.509 18441 1625 1 5 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.083 -0.307 18441 1626 1 5 . 1 1 27 27 TYR CA C 27 64.410 64.410 60.669 3.741 18441 1627 1 5 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.425 0.978 18441 1628 1 5 . 1 1 27 27 TYR H H 27 8.097 8.097 8.405 -0.308 18441 1629 1 5 . 1 1 28 28 ASP N N 28 123.384 123.384 119.531 3.853 18441 1630 1 5 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.512 -0.036 18441 1631 1 5 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.337 1.203 18441 1632 1 5 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.711 0.683 18441 1633 1 5 . 1 1 28 28 ASP H H 28 8.355 8.355 7.876 0.479 18441 1634 1 5 . 1 1 29 29 VAL N N 29 121.272 121.272 120.638 0.634 18441 1635 1 5 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.564 0.149 18441 1636 1 5 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.984 -0.334 18441 1637 1 5 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.606 0.312 18441 1638 1 5 . 1 1 29 29 VAL H H 29 8.252 8.252 8.101 0.151 18441 1639 1 5 . 1 1 30 30 LEU N N 30 122.443 122.443 119.683 2.760 18441 1640 1 5 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.074 -0.031 18441 1641 1 5 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.296 0.584 18441 1642 1 5 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.550 0.730 18441 1643 1 5 . 1 1 30 30 LEU H H 30 7.987 7.987 8.480 -0.493 18441 1644 1 5 . 1 1 31 31 ARG N N 31 122.386 122.386 118.868 3.518 18441 1645 1 5 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.065 -0.049 18441 1646 1 5 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.560 0.820 18441 1647 1 5 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.211 0.189 18441 1648 1 5 . 1 1 31 31 ARG H H 31 8.637 8.637 8.021 0.616 18441 1649 1 5 . 1 1 32 32 MET N N 32 120.006 120.006 119.520 0.486 18441 1650 1 5 . 1 1 32 32 MET HA H 32 4.359 4.359 4.179 0.179 18441 1651 1 5 . 1 1 32 32 MET CA C 32 58.490 58.490 58.249 0.241 18441 1652 1 5 . 1 1 32 32 MET CB C 32 31.677 31.677 32.210 -0.533 18441 1653 1 5 . 1 1 32 32 MET H H 32 8.327 8.327 8.520 -0.193 18441 1654 1 5 . 1 1 33 33 TYR N N 33 123.220 123.220 121.113 2.107 18441 1655 1 5 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.182 0.542 18441 1656 1 5 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.268 0.732 18441 1657 1 5 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.711 1.976 18441 1658 1 5 . 1 1 33 33 TYR H H 33 8.054 8.054 8.841 -0.787 18441 1659 1 5 . 1 1 34 34 HIS N N 34 120.860 120.860 117.566 3.294 18441 1660 1 5 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.111 -0.335 18441 1661 1 5 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.100 1.610 18441 1662 1 5 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.183 1.209 18441 1663 1 5 . 1 1 34 34 HIS H H 34 8.548 8.548 7.949 0.599 18441 1664 1 5 . 1 1 35 35 GLN N N 35 113.582 113.582 118.737 -5.155 18441 1665 1 5 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.156 -0.156 18441 1666 1 5 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.404 0.276 18441 1667 1 5 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.697 0.853 18441 1668 1 5 . 1 1 35 35 GLN H H 35 7.542 7.542 8.320 -0.778 18441 1669 1 5 . 1 1 36 36 THR N N 36 111.117 111.117 108.650 2.467 18441 1670 1 5 . 1 1 36 36 THR HA H 36 4.214 4.214 4.289 -0.075 18441 1671 1 5 . 1 1 36 36 THR CA C 36 63.980 63.980 62.748 1.232 18441 1672 1 5 . 1 1 36 36 THR CB C 36 71.670 71.670 69.614 2.056 18441 1673 1 5 . 1 1 36 36 THR H H 36 8.569 8.569 8.410 0.159 18441 1674 1 5 . 1 1 37 37 MET N N 37 120.444 120.444 116.737 3.707 18441 1675 1 5 . 1 1 37 37 MET HA H 37 3.740 3.740 4.229 -0.489 18441 1676 1 5 . 1 1 37 37 MET CA C 37 56.430 56.430 56.494 -0.064 18441 1677 1 5 . 1 1 37 37 MET CB C 37 31.399 31.399 30.246 1.153 18441 1678 1 5 . 1 1 37 37 MET H H 37 9.542 9.542 7.610 1.932 18441 1679 1 5 . 1 1 38 38 ASP N N 38 117.020 117.020 120.866 -3.846 18441 1680 1 5 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.825 0.119 18441 1681 1 5 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.325 0.151 18441 1682 1 5 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.508 -0.468 18441 1683 1 5 . 1 1 38 38 ASP H H 38 7.456 7.456 7.645 -0.189 18441 1684 1 5 . 1 1 39 39 VAL N N 39 128.507 128.507 125.936 2.571 18441 1685 1 5 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.556 0.275 18441 1686 1 5 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.095 0.745 18441 1687 1 5 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.488 1.212 18441 1688 1 5 . 1 1 39 39 VAL H H 39 8.425 8.425 8.709 -0.284 18441 1689 1 5 . 1 1 40 40 ALA N N 40 125.621 125.621 122.356 3.265 18441 1690 1 5 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.010 -0.023 18441 1691 1 5 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.013 0.847 18441 1692 1 5 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.341 0.129 18441 1693 1 5 . 1 1 40 40 ALA H H 40 7.998 7.998 7.676 0.322 18441 1694 1 5 . 1 1 41 41 VAL N N 41 122.132 122.132 118.982 3.150 18441 1695 1 5 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.719 -0.148 18441 1696 1 5 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.645 0.035 18441 1697 1 5 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.855 0.847 18441 1698 1 5 . 1 1 41 41 VAL H H 41 7.663 7.663 7.601 0.062 18441 1699 1 5 . 1 1 42 42 LEU N N 42 120.190 120.190 118.734 1.456 18441 1700 1 5 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.063 0.197 18441 1701 1 5 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.357 0.633 18441 1702 1 5 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.862 -0.157 18441 1703 1 5 . 1 1 42 42 LEU H H 42 7.361 7.361 7.288 0.073 18441 1704 1 5 . 1 1 43 43 VAL N N 43 116.802 116.802 119.334 -2.532 18441 1705 1 5 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.522 -0.105 18441 1706 1 5 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.727 3.054 18441 1707 1 5 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.394 1.586 18441 1708 1 5 . 1 1 43 43 VAL H H 43 8.062 8.062 7.661 0.401 18441 1709 1 5 . 1 1 44 44 GLY N N 44 106.242 106.242 108.544 -2.302 18441 1710 1 5 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.340 0.976 18441 1711 1 5 . 1 1 44 44 GLY H H 44 7.901 7.901 7.964 -0.063 18441 1712 1 5 . 1 1 45 45 ASP N N 45 123.359 123.359 123.214 0.145 18441 1713 1 5 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.544 0.121 18441 1714 1 5 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.408 0.352 18441 1715 1 5 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.459 0.409 18441 1716 1 5 . 1 1 45 45 ASP H H 45 8.680 8.680 7.768 0.912 18441 1717 1 5 . 1 1 46 46 LEU N N 46 123.201 123.201 120.281 2.920 18441 1718 1 5 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.907 0.159 18441 1719 1 5 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.177 -0.057 18441 1720 1 5 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.920 1.079 18441 1721 1 5 . 1 1 46 46 LEU H H 46 9.018 9.018 8.493 0.525 18441 1722 1 5 . 1 1 47 47 LYS N N 47 119.196 119.196 119.391 -0.195 18441 1723 1 5 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.991 -0.021 18441 1724 1 5 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.910 0.380 18441 1725 1 5 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.052 1.089 18441 1726 1 5 . 1 1 47 47 LYS H H 47 8.017 8.017 7.787 0.230 18441 1727 1 5 . 1 1 48 48 LEU N N 48 116.358 116.358 118.970 -2.612 18441 1728 1 5 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.085 0.076 18441 1729 1 5 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.661 0.009 18441 1730 1 5 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.265 -0.105 18441 1731 1 5 . 1 1 48 48 LEU H H 48 7.143 7.143 7.498 -0.355 18441 1732 1 5 . 1 1 49 49 VAL N N 49 112.662 112.662 115.368 -2.706 18441 1733 1 5 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.183 0.290 18441 1734 1 5 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.566 -0.506 18441 1735 1 5 . 1 1 49 49 VAL CB C 49 35.166 35.166 33.061 2.105 18441 1736 1 5 . 1 1 49 49 VAL H H 49 7.266 7.266 7.669 -0.403 18441 1737 1 5 . 1 1 50 50 ILE N N 50 124.631 124.631 119.058 5.573 18441 1738 1 5 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.342 -0.497 18441 1739 1 5 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.607 0.983 18441 1740 1 5 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.981 -3.820 18441 1741 1 5 . 1 1 50 50 ILE H H 50 8.475 8.475 7.586 0.889 18441 1742 1 5 . 1 1 51 51 ASN N N 51 119.027 119.027 118.805 0.222 18441 1743 1 5 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.558 0.149 18441 1744 1 5 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.304 0.144 18441 1745 1 5 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.221 0.740 18441 1746 1 5 . 1 1 51 51 ASN H H 51 7.347 7.347 8.109 -0.762 18441 1747 1 5 . 1 1 52 52 GLU N N 52 115.889 115.889 118.654 -2.765 18441 1748 1 5 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.744 0.144 18441 1749 1 5 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.902 1.883 18441 1750 1 5 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.060 -0.040 18441 1751 1 5 . 1 1 52 52 GLU H H 52 7.438 7.438 7.616 -0.178 18441 1752 1 5 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.189 0.021 18441 1753 1 5 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.230 1.730 18441 1754 1 5 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.832 1.116 18441 1755 1 5 . 1 1 54 54 SER N N 54 113.711 113.711 111.774 1.937 18441 1756 1 5 . 1 1 54 54 SER HA H 54 4.173 4.173 4.338 -0.165 18441 1757 1 5 . 1 1 54 54 SER CA C 54 61.650 61.650 60.152 1.498 18441 1758 1 5 . 1 1 54 54 SER CB C 54 62.930 62.930 63.214 -0.284 18441 1759 1 5 . 1 1 54 54 SER H H 54 8.946 8.946 8.111 0.835 18441 1760 1 5 . 1 1 55 55 ARG N N 55 116.455 116.455 120.023 -3.568 18441 1761 1 5 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.447 -0.043 18441 1762 1 5 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.807 0.503 18441 1763 1 5 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.553 3.059 18441 1764 1 5 . 1 1 55 55 ARG H H 55 7.759 7.759 7.703 0.056 18441 1765 1 5 . 1 1 56 56 LEU N N 56 121.468 121.468 123.270 -1.802 18441 1766 1 5 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.252 -0.117 18441 1767 1 5 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.947 -0.047 18441 1768 1 5 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.579 1.418 18441 1769 1 5 . 1 1 56 56 LEU H H 56 7.472 7.472 8.466 -0.994 18441 1770 1 5 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.204 0.492 18441 1771 1 5 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.194 -0.014 18441 1772 1 5 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.144 1.246 18441 1773 1 5 . 1 1 58 58 LEU N N 58 119.923 119.923 117.404 2.519 18441 1774 1 5 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.177 -0.127 18441 1775 1 5 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.630 0.690 18441 1776 1 5 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.627 0.401 18441 1777 1 5 . 1 1 58 58 LEU H H 58 8.734 8.734 7.624 1.110 18441 1778 1 5 . 1 1 59 59 PHE N N 59 116.632 116.632 120.948 -4.316 18441 1779 1 5 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.288 0.191 18441 1780 1 5 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.933 1.147 18441 1781 1 5 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.373 -0.521 18441 1782 1 5 . 1 1 59 59 PHE H H 59 8.312 8.312 8.745 -0.433 18441 1783 1 5 . 1 1 60 60 ASP N N 60 120.603 120.603 119.247 1.356 18441 1784 1 5 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.405 0.266 18441 1785 1 5 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.758 1.112 18441 1786 1 5 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.030 0.511 18441 1787 1 5 . 1 1 60 60 ASP H H 60 7.462 7.462 7.852 -0.390 18441 1788 1 5 . 1 1 61 61 ALA N N 61 122.470 122.470 122.551 -0.081 18441 1789 1 5 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.968 0.293 18441 1790 1 5 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.474 0.072 18441 1791 1 5 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.390 0.490 18441 1792 1 5 . 1 1 61 61 ALA H H 61 7.664 7.664 7.412 0.252 18441 1793 1 5 . 1 1 62 62 ILE N N 62 115.525 115.525 118.032 -2.507 18441 1794 1 5 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.032 0.650 18441 1795 1 5 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.634 -0.214 18441 1796 1 5 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.948 2.207 18441 1797 1 5 . 1 1 62 62 ILE H H 62 7.653 7.653 7.540 0.113 18441 1798 1 5 . 1 1 63 63 ARG N N 63 121.016 121.016 119.909 1.107 18441 1799 1 5 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.386 0.088 18441 1800 1 5 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.594 0.776 18441 1801 1 5 . 1 1 63 63 ARG H H 63 6.917 6.917 7.252 -0.335 18441 1802 1 5 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.089 0.222 18441 1803 1 5 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.583 0.157 18441 1804 1 5 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.015 1.172 18441 1805 1 5 . 1 1 65 65 LEU N N 65 114.713 114.713 115.746 -1.033 18441 1806 1 5 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.048 -0.128 18441 1807 1 5 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.040 -0.380 18441 1808 1 5 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.835 0.273 18441 1809 1 5 . 1 1 65 65 LEU H H 65 8.074 8.074 7.426 0.648 18441 1810 1 5 . 1 1 66 66 ILE N N 66 120.129 120.129 119.065 1.064 18441 1811 1 5 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.131 0.174 18441 1812 1 5 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.600 -4.840 18441 1813 1 5 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.283 -0.639 18441 1814 1 5 . 1 1 66 66 ILE H H 66 7.398 7.398 7.505 -0.107 18441 1815 1 5 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.351 -0.046 18441 1816 1 5 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.568 1.072 18441 1817 1 5 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.460 0.829 18441 1818 1 5 . 1 1 68 68 LEU N N 68 124.673 124.673 123.180 1.493 18441 1819 1 5 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.957 -0.107 18441 1820 1 5 . 1 1 68 68 LEU CA C 68 59.620 59.620 58.989 0.631 18441 1821 1 5 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.434 1.033 18441 1822 1 5 . 1 1 68 68 LEU H H 68 8.471 8.471 8.406 0.065 18441 1823 1 5 . 1 1 69 69 LYS N N 69 115.247 115.247 118.766 -3.519 18441 1824 1 5 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.021 0.148 18441 1825 1 5 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.136 -0.116 18441 1826 1 5 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.511 0.995 18441 1827 1 5 . 1 1 69 69 LYS H H 69 8.536 8.536 8.415 0.121 18441 1828 1 5 . 1 1 70 70 HIS N N 70 118.849 118.849 118.415 0.434 18441 1829 1 5 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.419 0.806 18441 1830 1 5 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.191 -3.302 18441 1831 1 5 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.492 5.546 18441 1832 1 5 . 1 1 70 70 HIS H H 70 8.060 8.060 8.247 -0.187 18441 1833 1 5 . 1 1 71 71 GLN N N 71 122.130 122.130 120.077 2.053 18441 1834 1 5 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.086 -0.387 18441 1835 1 5 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.021 2.669 18441 1836 1 5 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.351 0.899 18441 1837 1 5 . 1 1 71 71 GLN H H 71 7.732 7.732 8.379 -0.647 18441 1838 1 5 . 1 1 72 72 VAL N N 72 119.182 119.182 120.533 -1.351 18441 1839 1 5 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.688 0.120 18441 1840 1 5 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.097 1.123 18441 1841 1 5 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.789 0.025 18441 1842 1 5 . 1 1 72 72 VAL H H 72 8.203 8.203 7.864 0.339 18441 1843 1 5 . 1 1 73 73 GLU N N 73 121.878 121.878 119.868 2.010 18441 1844 1 5 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.044 -0.066 18441 1845 1 5 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.461 0.639 18441 1846 1 5 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.682 0.978 18441 1847 1 5 . 1 1 73 73 GLU H H 73 8.136 8.136 7.824 0.312 18441 1848 1 5 . 1 1 74 74 TYR N N 74 119.780 119.780 121.571 -1.791 18441 1849 1 5 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.108 -0.431 18441 1850 1 5 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.438 1.872 18441 1851 1 5 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.285 1.735 18441 1852 1 5 . 1 1 74 74 TYR H H 74 8.491 8.491 8.555 -0.064 18441 1853 1 5 . 1 1 75 75 ASP N N 75 120.231 120.231 118.013 2.218 18441 1854 1 5 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.565 -0.422 18441 1855 1 5 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.500 1.060 18441 1856 1 5 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.793 -0.215 18441 1857 1 5 . 1 1 75 75 ASP H H 75 8.566 8.566 8.157 0.409 18441 1858 1 5 . 1 1 76 76 GLN N N 76 118.324 118.324 117.779 0.545 18441 1859 1 5 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.078 -0.022 18441 1860 1 5 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.367 0.063 18441 1861 1 5 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.230 0.200 18441 1862 1 5 . 1 1 76 76 GLN H H 76 7.844 7.844 7.781 0.063 18441 1863 1 5 . 1 1 77 77 LEU N N 77 117.932 117.932 115.758 2.174 18441 1864 1 5 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.206 -0.009 18441 1865 1 5 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.778 0.133 18441 1866 1 5 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.303 3.101 18441 1867 1 5 . 1 1 77 77 LEU H H 77 7.665 7.665 7.611 0.054 18441 1868 1 5 . 1 1 78 78 THR N N 78 110.323 110.323 114.014 -3.691 18441 1869 1 5 . 1 1 78 78 THR HA H 78 3.709 3.709 4.344 -0.635 18441 1870 1 5 . 1 1 78 78 THR CA C 78 59.750 59.750 59.690 0.060 18441 1871 1 5 . 1 1 78 78 THR CB C 78 69.110 69.110 68.988 0.122 18441 1872 1 5 . 1 1 78 78 THR H H 78 7.130 7.130 7.449 -0.319 18441 1873 1 5 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.387 -0.141 18441 1874 1 5 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.882 -0.202 18441 1875 1 5 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.168 0.223 18441 1876 1 6 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.793 -0.263 18441 1877 1 6 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.505 1.085 18441 1878 1 6 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.985 -1.292 18441 1879 1 6 . 1 1 3 3 ARG N N 3 121.498 121.498 121.687 -0.189 18441 1880 1 6 . 1 1 3 3 ARG HA H 3 4.241 4.241 3.901 0.340 18441 1881 1 6 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.301 -0.631 18441 1882 1 6 . 1 1 3 3 ARG CB C 3 30.510 30.510 29.236 1.274 18441 1883 1 6 . 1 1 3 3 ARG H H 3 8.382 8.382 8.730 -0.348 18441 1884 1 6 . 1 1 4 4 LYS N N 4 122.257 122.257 120.647 1.610 18441 1885 1 6 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.081 -0.023 18441 1886 1 6 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.473 0.237 18441 1887 1 6 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.574 0.702 18441 1888 1 6 . 1 1 4 4 LYS H H 4 8.226 8.226 8.029 0.197 18441 1889 1 6 . 1 1 5 5 VAL N N 5 120.494 120.494 118.047 2.447 18441 1890 1 6 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.743 -0.022 18441 1891 1 6 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.571 1.079 18441 1892 1 6 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.539 0.535 18441 1893 1 6 . 1 1 5 5 VAL H H 5 8.109 8.109 8.121 -0.012 18441 1894 1 6 . 1 1 6 6 ALA N N 6 123.149 123.149 123.123 0.026 18441 1895 1 6 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.313 -0.278 18441 1896 1 6 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.168 0.722 18441 1897 1 6 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.304 0.956 18441 1898 1 6 . 1 1 6 6 ALA H H 6 8.374 8.374 7.720 0.654 18441 1899 1 6 . 1 1 7 7 ARG N N 7 119.587 119.587 118.840 0.747 18441 1900 1 6 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.955 0.046 18441 1901 1 6 . 1 1 7 7 ARG CA C 7 59.770 59.770 58.509 1.261 18441 1902 1 6 . 1 1 7 7 ARG CB C 7 30.770 30.770 29.851 0.919 18441 1903 1 6 . 1 1 7 7 ARG H H 7 7.992 7.992 7.889 0.103 18441 1904 1 6 . 1 1 8 8 GLU N N 8 119.745 119.745 120.111 -0.366 18441 1905 1 6 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.111 -0.053 18441 1906 1 6 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.727 0.043 18441 1907 1 6 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.877 0.073 18441 1908 1 6 . 1 1 8 8 GLU H H 8 8.165 8.165 8.328 -0.163 18441 1909 1 6 . 1 1 9 9 PHE N N 9 121.436 121.436 119.812 1.624 18441 1910 1 6 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.314 -0.187 18441 1911 1 6 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.075 2.945 18441 1912 1 6 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.373 1.250 18441 1913 1 6 . 1 1 9 9 PHE H H 9 8.180 8.180 8.427 -0.247 18441 1914 1 6 . 1 1 10 10 ARG N N 10 119.028 119.028 119.561 -0.533 18441 1915 1 6 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.534 0.327 18441 1916 1 6 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.448 1.132 18441 1917 1 6 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.071 1.249 18441 1918 1 6 . 1 1 10 10 ARG H H 10 7.910 7.910 7.930 -0.020 18441 1919 1 6 . 1 1 11 11 HIS N N 11 116.563 116.563 118.427 -1.864 18441 1920 1 6 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.226 0.230 18441 1921 1 6 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.023 0.157 18441 1922 1 6 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.948 0.082 18441 1923 1 6 . 1 1 11 11 HIS H H 11 8.001 8.001 8.156 -0.155 18441 1924 1 6 . 1 1 12 12 LYS N N 12 120.773 120.773 119.257 1.516 18441 1925 1 6 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.054 -0.046 18441 1926 1 6 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.677 0.303 18441 1927 1 6 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.426 0.267 18441 1928 1 6 . 1 1 12 12 LYS H H 12 7.796 7.796 7.772 0.024 18441 1929 1 6 . 1 1 13 13 VAL N N 13 120.125 120.125 120.255 -0.130 18441 1930 1 6 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.677 -0.566 18441 1931 1 6 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.158 1.022 18441 1932 1 6 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.496 0.644 18441 1933 1 6 . 1 1 13 13 VAL H H 13 7.821 7.821 7.912 -0.091 18441 1934 1 6 . 1 1 14 14 ASP N N 14 117.462 117.462 119.421 -1.959 18441 1935 1 6 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.371 -0.109 18441 1936 1 6 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.984 0.416 18441 1937 1 6 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.789 0.525 18441 1938 1 6 . 1 1 14 14 ASP H H 14 8.276 8.276 7.857 0.419 18441 1939 1 6 . 1 1 15 15 PHE N N 15 117.914 117.914 118.367 -0.453 18441 1940 1 6 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.331 0.031 18441 1941 1 6 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.372 -0.182 18441 1942 1 6 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.491 1.207 18441 1943 1 6 . 1 1 15 15 PHE H H 15 7.664 7.664 7.791 -0.127 18441 1944 1 6 . 1 1 16 16 LEU N N 16 116.737 116.737 116.666 0.071 18441 1945 1 6 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.128 0.106 18441 1946 1 6 . 1 1 16 16 LEU CA C 16 56.420 56.420 55.054 1.366 18441 1947 1 6 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.643 2.435 18441 1948 1 6 . 1 1 16 16 LEU H H 16 7.658 7.658 7.678 -0.020 18441 1949 1 6 . 1 1 17 17 ILE N N 17 120.533 120.533 116.574 3.959 18441 1950 1 6 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.270 -0.162 18441 1951 1 6 . 1 1 17 17 ILE CA C 17 60.540 60.540 60.412 0.128 18441 1952 1 6 . 1 1 17 17 ILE CB C 17 38.357 38.357 38.842 -0.485 18441 1953 1 6 . 1 1 17 17 ILE H H 17 8.336 8.336 7.399 0.937 18441 1954 1 6 . 1 1 18 18 GLU N N 18 124.531 124.531 121.869 2.662 18441 1955 1 6 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.218 -0.008 18441 1956 1 6 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.514 0.086 18441 1957 1 6 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.434 1.576 18441 1958 1 6 . 1 1 18 18 GLU H H 18 8.276 8.276 8.714 -0.438 18441 1959 1 6 . 1 1 19 19 ASN N N 19 117.630 117.630 116.424 1.206 18441 1960 1 6 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.596 0.209 18441 1961 1 6 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.872 -1.134 18441 1962 1 6 . 1 1 19 19 ASN CB C 19 41.178 41.178 38.470 2.708 18441 1963 1 6 . 1 1 19 19 ASN H H 19 7.700 7.700 7.965 -0.265 18441 1964 1 6 . 1 1 20 20 ASP N N 20 127.428 127.428 117.790 9.638 18441 1965 1 6 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.189 0.060 18441 1966 1 6 . 1 1 20 20 ASP CA C 20 58.850 58.850 57.172 1.678 18441 1967 1 6 . 1 1 20 20 ASP CB C 20 41.314 41.314 39.372 1.942 18441 1968 1 6 . 1 1 20 20 ASP H H 20 8.998 8.998 7.907 1.091 18441 1969 1 6 . 1 1 21 21 ALA N N 21 122.271 122.271 121.895 0.376 18441 1970 1 6 . 1 1 21 21 ALA HA H 21 4.260 4.260 3.956 0.304 18441 1971 1 6 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.369 0.631 18441 1972 1 6 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.440 0.210 18441 1973 1 6 . 1 1 21 21 ALA H H 21 8.346 8.346 7.975 0.371 18441 1974 1 6 . 1 1 22 22 GLU N N 22 118.716 118.716 117.609 1.107 18441 1975 1 6 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.991 0.123 18441 1976 1 6 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.796 0.564 18441 1977 1 6 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.078 2.694 18441 1978 1 6 . 1 1 22 22 GLU H H 22 7.724 7.724 8.868 -1.144 18441 1979 1 6 . 1 1 23 23 LYS N N 23 121.088 121.088 118.053 3.035 18441 1980 1 6 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.802 0.009 18441 1981 1 6 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.983 2.687 18441 1982 1 6 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.033 1.037 18441 1983 1 6 . 1 1 23 23 LYS H H 23 7.618 7.618 7.433 0.185 18441 1984 1 6 . 1 1 24 24 ASP N N 24 119.010 119.010 120.554 -1.544 18441 1985 1 6 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.463 0.026 18441 1986 1 6 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.573 0.937 18441 1987 1 6 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.905 -0.068 18441 1988 1 6 . 1 1 24 24 ASP H H 24 8.424 8.424 7.930 0.494 18441 1989 1 6 . 1 1 25 25 TYR N N 25 120.417 120.417 121.413 -0.996 18441 1990 1 6 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.236 0.007 18441 1991 1 6 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.203 0.987 18441 1992 1 6 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.623 -0.124 18441 1993 1 6 . 1 1 25 25 TYR H H 25 7.676 7.676 8.093 -0.417 18441 1994 1 6 . 1 1 26 26 LEU N N 26 120.960 120.960 120.354 0.606 18441 1995 1 6 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.914 -0.313 18441 1996 1 6 . 1 1 26 26 LEU CA C 26 59.440 59.440 57.639 1.800 18441 1997 1 6 . 1 1 26 26 LEU CB C 26 42.151 42.151 40.930 1.221 18441 1998 1 6 . 1 1 26 26 LEU H H 26 7.965 7.965 7.820 0.145 18441 1999 1 6 . 1 1 27 27 TYR N N 27 116.521 116.521 118.453 -1.932 18441 2000 1 6 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.123 -0.347 18441 2001 1 6 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.944 4.466 18441 2002 1 6 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.148 1.255 18441 2003 1 6 . 1 1 27 27 TYR H H 27 8.097 8.097 7.976 0.121 18441 2004 1 6 . 1 1 28 28 ASP N N 28 123.384 123.384 119.884 3.500 18441 2005 1 6 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.398 0.078 18441 2006 1 6 . 1 1 28 28 ASP CA C 28 58.540 58.540 58.104 0.436 18441 2007 1 6 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.732 0.662 18441 2008 1 6 . 1 1 28 28 ASP H H 28 8.355 8.355 7.907 0.448 18441 2009 1 6 . 1 1 29 29 VAL N N 29 121.272 121.272 120.360 0.912 18441 2010 1 6 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.684 0.029 18441 2011 1 6 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.346 0.304 18441 2012 1 6 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.646 0.272 18441 2013 1 6 . 1 1 29 29 VAL H H 29 8.252 8.252 8.087 0.165 18441 2014 1 6 . 1 1 30 30 LEU N N 30 122.443 122.443 120.479 1.964 18441 2015 1 6 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.099 -0.056 18441 2016 1 6 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.399 0.481 18441 2017 1 6 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.609 0.672 18441 2018 1 6 . 1 1 30 30 LEU H H 30 7.987 7.987 8.195 -0.208 18441 2019 1 6 . 1 1 31 31 ARG N N 31 122.386 122.386 118.442 3.944 18441 2020 1 6 . 1 1 31 31 ARG HA H 31 4.016 4.016 3.978 0.038 18441 2021 1 6 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.862 0.518 18441 2022 1 6 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.292 0.108 18441 2023 1 6 . 1 1 31 31 ARG H H 31 8.637 8.637 8.286 0.351 18441 2024 1 6 . 1 1 32 32 MET N N 32 120.006 120.006 119.874 0.132 18441 2025 1 6 . 1 1 32 32 MET HA H 32 4.359 4.359 4.152 0.207 18441 2026 1 6 . 1 1 32 32 MET CA C 32 58.490 58.490 59.120 -0.630 18441 2027 1 6 . 1 1 32 32 MET CB C 32 31.677 31.677 32.383 -0.706 18441 2028 1 6 . 1 1 32 32 MET H H 32 8.327 8.327 7.972 0.355 18441 2029 1 6 . 1 1 33 33 TYR N N 33 123.220 123.220 120.659 2.561 18441 2030 1 6 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.273 0.451 18441 2031 1 6 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.017 0.983 18441 2032 1 6 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.737 1.950 18441 2033 1 6 . 1 1 33 33 TYR H H 33 8.054 8.054 8.133 -0.079 18441 2034 1 6 . 1 1 34 34 HIS N N 34 120.860 120.860 118.026 2.834 18441 2035 1 6 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.106 -0.330 18441 2036 1 6 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.244 1.466 18441 2037 1 6 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.193 1.199 18441 2038 1 6 . 1 1 34 34 HIS H H 34 8.548 8.548 7.915 0.633 18441 2039 1 6 . 1 1 35 35 GLN N N 35 113.582 113.582 118.895 -5.313 18441 2040 1 6 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.283 -0.283 18441 2041 1 6 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.342 0.338 18441 2042 1 6 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.601 0.949 18441 2043 1 6 . 1 1 35 35 GLN H H 35 7.542 7.542 8.318 -0.776 18441 2044 1 6 . 1 1 36 36 THR N N 36 111.117 111.117 108.640 2.477 18441 2045 1 6 . 1 1 36 36 THR HA H 36 4.214 4.214 4.247 -0.033 18441 2046 1 6 . 1 1 36 36 THR CA C 36 63.980 63.980 62.765 1.215 18441 2047 1 6 . 1 1 36 36 THR CB C 36 71.670 71.670 69.956 1.714 18441 2048 1 6 . 1 1 36 36 THR H H 36 8.569 8.569 8.432 0.137 18441 2049 1 6 . 1 1 37 37 MET N N 37 120.444 120.444 117.407 3.037 18441 2050 1 6 . 1 1 37 37 MET HA H 37 3.740 3.740 4.213 -0.473 18441 2051 1 6 . 1 1 37 37 MET CA C 37 56.430 56.430 56.132 0.298 18441 2052 1 6 . 1 1 37 37 MET CB C 37 31.399 31.399 30.216 1.183 18441 2053 1 6 . 1 1 37 37 MET H H 37 9.542 9.542 7.582 1.960 18441 2054 1 6 . 1 1 38 38 ASP N N 38 117.020 117.020 121.445 -4.425 18441 2055 1 6 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.819 0.125 18441 2056 1 6 . 1 1 38 38 ASP CA C 38 53.476 53.476 54.281 -0.805 18441 2057 1 6 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.146 -0.106 18441 2058 1 6 . 1 1 38 38 ASP H H 38 7.456 7.456 7.699 -0.243 18441 2059 1 6 . 1 1 39 39 VAL N N 39 128.507 128.507 124.294 4.213 18441 2060 1 6 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.603 0.228 18441 2061 1 6 . 1 1 39 39 VAL CA C 39 64.840 64.840 63.629 1.211 18441 2062 1 6 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.212 1.488 18441 2063 1 6 . 1 1 39 39 VAL H H 39 8.425 8.425 8.666 -0.241 18441 2064 1 6 . 1 1 40 40 ALA N N 40 125.621 125.621 122.730 2.891 18441 2065 1 6 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.057 -0.070 18441 2066 1 6 . 1 1 40 40 ALA CA C 40 55.860 55.860 54.893 0.967 18441 2067 1 6 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.290 0.180 18441 2068 1 6 . 1 1 40 40 ALA H H 40 7.998 7.998 8.306 -0.308 18441 2069 1 6 . 1 1 41 41 VAL N N 41 122.132 122.132 118.299 3.833 18441 2070 1 6 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.705 -0.135 18441 2071 1 6 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.975 0.705 18441 2072 1 6 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.829 0.873 18441 2073 1 6 . 1 1 41 41 VAL H H 41 7.663 7.663 7.622 0.041 18441 2074 1 6 . 1 1 42 42 LEU N N 42 120.190 120.190 119.077 1.113 18441 2075 1 6 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.228 0.032 18441 2076 1 6 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.153 0.838 18441 2077 1 6 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.973 -0.268 18441 2078 1 6 . 1 1 42 42 LEU H H 42 7.361 7.361 7.258 0.103 18441 2079 1 6 . 1 1 43 43 VAL N N 43 116.802 116.802 120.199 -3.397 18441 2080 1 6 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.544 -0.127 18441 2081 1 6 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.652 2.128 18441 2082 1 6 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.661 1.319 18441 2083 1 6 . 1 1 43 43 VAL H H 43 8.062 8.062 7.764 0.298 18441 2084 1 6 . 1 1 44 44 GLY N N 44 106.242 106.242 107.494 -1.252 18441 2085 1 6 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.448 0.868 18441 2086 1 6 . 1 1 44 44 GLY H H 44 7.901 7.901 7.873 0.028 18441 2087 1 6 . 1 1 45 45 ASP N N 45 123.359 123.359 123.188 0.171 18441 2088 1 6 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.564 0.101 18441 2089 1 6 . 1 1 45 45 ASP CA C 45 57.760 57.760 56.991 0.769 18441 2090 1 6 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.358 0.510 18441 2091 1 6 . 1 1 45 45 ASP H H 45 8.680 8.680 7.877 0.803 18441 2092 1 6 . 1 1 46 46 LEU N N 46 123.201 123.201 121.041 2.160 18441 2093 1 6 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.947 0.119 18441 2094 1 6 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.187 -0.067 18441 2095 1 6 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.039 0.960 18441 2096 1 6 . 1 1 46 46 LEU H H 46 9.018 9.018 8.434 0.584 18441 2097 1 6 . 1 1 47 47 LYS N N 47 119.196 119.196 118.624 0.572 18441 2098 1 6 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.044 -0.074 18441 2099 1 6 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.690 0.600 18441 2100 1 6 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.120 1.021 18441 2101 1 6 . 1 1 47 47 LYS H H 47 8.017 8.017 7.748 0.269 18441 2102 1 6 . 1 1 48 48 LEU N N 48 116.358 116.358 120.369 -4.011 18441 2103 1 6 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.019 0.142 18441 2104 1 6 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.897 -0.227 18441 2105 1 6 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.300 -0.140 18441 2106 1 6 . 1 1 48 48 LEU H H 48 7.143 7.143 7.578 -0.435 18441 2107 1 6 . 1 1 49 49 VAL N N 49 112.662 112.662 114.556 -1.894 18441 2108 1 6 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.067 0.406 18441 2109 1 6 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.416 -0.356 18441 2110 1 6 . 1 1 49 49 VAL CB C 49 35.166 35.166 31.748 3.418 18441 2111 1 6 . 1 1 49 49 VAL H H 49 7.266 7.266 7.575 -0.309 18441 2112 1 6 . 1 1 50 50 ILE N N 50 124.631 124.631 117.173 7.458 18441 2113 1 6 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.436 -0.591 18441 2114 1 6 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.749 0.841 18441 2115 1 6 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.955 -3.793 18441 2116 1 6 . 1 1 50 50 ILE H H 50 8.475 8.475 7.617 0.858 18441 2117 1 6 . 1 1 51 51 ASN N N 51 119.027 119.027 119.402 -0.375 18441 2118 1 6 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.543 0.164 18441 2119 1 6 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.612 -0.164 18441 2120 1 6 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.075 0.886 18441 2121 1 6 . 1 1 51 51 ASN H H 51 7.347 7.347 8.299 -0.952 18441 2122 1 6 . 1 1 52 52 GLU N N 52 115.889 115.889 116.846 -0.957 18441 2123 1 6 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.801 0.087 18441 2124 1 6 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.544 2.241 18441 2125 1 6 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.288 -0.268 18441 2126 1 6 . 1 1 52 52 GLU H H 52 7.438 7.438 7.463 -0.025 18441 2127 1 6 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.201 0.009 18441 2128 1 6 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.207 1.753 18441 2129 1 6 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.870 1.078 18441 2130 1 6 . 1 1 54 54 SER N N 54 113.711 113.711 112.387 1.324 18441 2131 1 6 . 1 1 54 54 SER HA H 54 4.173 4.173 4.328 -0.155 18441 2132 1 6 . 1 1 54 54 SER CA C 54 61.650 61.650 60.675 0.975 18441 2133 1 6 . 1 1 54 54 SER CB C 54 62.930 62.930 63.074 -0.144 18441 2134 1 6 . 1 1 54 54 SER H H 54 8.946 8.946 8.187 0.759 18441 2135 1 6 . 1 1 55 55 ARG N N 55 116.455 116.455 118.947 -2.492 18441 2136 1 6 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.404 0.000 18441 2137 1 6 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.419 0.891 18441 2138 1 6 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.416 3.196 18441 2139 1 6 . 1 1 55 55 ARG H H 55 7.759 7.759 7.513 0.246 18441 2140 1 6 . 1 1 56 56 LEU N N 56 121.468 121.468 123.422 -1.954 18441 2141 1 6 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.306 -0.171 18441 2142 1 6 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.850 0.050 18441 2143 1 6 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.578 1.419 18441 2144 1 6 . 1 1 56 56 LEU H H 56 7.472 7.472 8.000 -0.527 18441 2145 1 6 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.388 0.308 18441 2146 1 6 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.347 -0.167 18441 2147 1 6 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.247 1.143 18441 2148 1 6 . 1 1 58 58 LEU N N 58 119.923 119.923 117.528 2.395 18441 2149 1 6 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.156 -0.106 18441 2150 1 6 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.439 0.881 18441 2151 1 6 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.531 0.497 18441 2152 1 6 . 1 1 58 58 LEU H H 58 8.734 8.734 7.422 1.312 18441 2153 1 6 . 1 1 59 59 PHE N N 59 116.632 116.632 120.502 -3.870 18441 2154 1 6 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.245 0.234 18441 2155 1 6 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.636 1.444 18441 2156 1 6 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.178 -0.326 18441 2157 1 6 . 1 1 59 59 PHE H H 59 8.312 8.312 8.779 -0.467 18441 2158 1 6 . 1 1 60 60 ASP N N 60 120.603 120.603 117.958 2.645 18441 2159 1 6 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.332 0.339 18441 2160 1 6 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.282 1.588 18441 2161 1 6 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.277 1.264 18441 2162 1 6 . 1 1 60 60 ASP H H 60 7.462 7.462 8.005 -0.543 18441 2163 1 6 . 1 1 61 61 ALA N N 61 122.470 122.470 122.826 -0.356 18441 2164 1 6 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.868 0.393 18441 2165 1 6 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.454 0.092 18441 2166 1 6 . 1 1 61 61 ALA CB C 61 18.880 18.880 19.021 -0.141 18441 2167 1 6 . 1 1 61 61 ALA H H 61 7.664 7.664 7.523 0.141 18441 2168 1 6 . 1 1 62 62 ILE N N 62 115.525 115.525 118.054 -2.529 18441 2169 1 6 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.045 0.637 18441 2170 1 6 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.276 0.144 18441 2171 1 6 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.008 2.147 18441 2172 1 6 . 1 1 62 62 ILE H H 62 7.653 7.653 7.694 -0.041 18441 2173 1 6 . 1 1 63 63 ARG N N 63 121.016 121.016 120.556 0.460 18441 2174 1 6 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.489 -0.015 18441 2175 1 6 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.274 1.096 18441 2176 1 6 . 1 1 63 63 ARG H H 63 6.917 6.917 7.254 -0.337 18441 2177 1 6 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.113 0.198 18441 2178 1 6 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.467 0.273 18441 2179 1 6 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.059 1.128 18441 2180 1 6 . 1 1 65 65 LEU N N 65 114.713 114.713 115.799 -1.086 18441 2181 1 6 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.069 -0.149 18441 2182 1 6 . 1 1 65 65 LEU CA C 65 55.660 55.660 55.967 -0.307 18441 2183 1 6 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.785 0.323 18441 2184 1 6 . 1 1 65 65 LEU H H 65 8.074 8.074 7.552 0.522 18441 2185 1 6 . 1 1 66 66 ILE N N 66 120.129 120.129 118.863 1.266 18441 2186 1 6 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.126 0.179 18441 2187 1 6 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.769 -5.008 18441 2188 1 6 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.575 -0.931 18441 2189 1 6 . 1 1 66 66 ILE H H 66 7.398 7.398 7.437 -0.039 18441 2190 1 6 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.345 -0.040 18441 2191 1 6 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.546 1.094 18441 2192 1 6 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.354 0.935 18441 2193 1 6 . 1 1 68 68 LEU N N 68 124.673 124.673 122.312 2.361 18441 2194 1 6 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.922 -0.072 18441 2195 1 6 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.666 -0.046 18441 2196 1 6 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.795 0.672 18441 2197 1 6 . 1 1 68 68 LEU H H 68 8.471 8.471 8.373 0.098 18441 2198 1 6 . 1 1 69 69 LYS N N 69 115.247 115.247 118.822 -3.575 18441 2199 1 6 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.065 0.104 18441 2200 1 6 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.044 -0.023 18441 2201 1 6 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.963 0.543 18441 2202 1 6 . 1 1 69 69 LYS H H 69 8.536 8.536 8.318 0.218 18441 2203 1 6 . 1 1 70 70 HIS N N 70 118.849 118.849 116.765 2.084 18441 2204 1 6 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.371 0.854 18441 2205 1 6 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.549 -3.660 18441 2206 1 6 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.728 5.310 18441 2207 1 6 . 1 1 70 70 HIS H H 70 8.060 8.060 8.302 -0.242 18441 2208 1 6 . 1 1 71 71 GLN N N 71 122.130 122.130 120.039 2.091 18441 2209 1 6 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.119 -0.420 18441 2210 1 6 . 1 1 71 71 GLN CA C 71 61.690 61.690 58.981 2.709 18441 2211 1 6 . 1 1 71 71 GLN CB C 71 29.250 29.250 27.831 1.419 18441 2212 1 6 . 1 1 71 71 GLN H H 71 7.732 7.732 8.614 -0.882 18441 2213 1 6 . 1 1 72 72 VAL N N 72 119.182 119.182 121.183 -2.001 18441 2214 1 6 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.737 0.071 18441 2215 1 6 . 1 1 72 72 VAL CA C 72 67.220 67.220 65.591 1.629 18441 2216 1 6 . 1 1 72 72 VAL CB C 72 31.814 31.814 30.850 0.964 18441 2217 1 6 . 1 1 72 72 VAL H H 72 8.203 8.203 7.626 0.577 18441 2218 1 6 . 1 1 73 73 GLU N N 73 121.878 121.878 120.379 1.499 18441 2219 1 6 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.047 -0.069 18441 2220 1 6 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.200 0.900 18441 2221 1 6 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.517 1.143 18441 2222 1 6 . 1 1 73 73 GLU H H 73 8.136 8.136 7.907 0.229 18441 2223 1 6 . 1 1 74 74 TYR N N 74 119.780 119.780 120.343 -0.563 18441 2224 1 6 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.072 -0.395 18441 2225 1 6 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.580 1.730 18441 2226 1 6 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.352 1.668 18441 2227 1 6 . 1 1 74 74 TYR H H 74 8.491 8.491 8.341 0.150 18441 2228 1 6 . 1 1 75 75 ASP N N 75 120.231 120.231 118.390 1.841 18441 2229 1 6 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.554 -0.411 18441 2230 1 6 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.239 0.321 18441 2231 1 6 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.705 -0.127 18441 2232 1 6 . 1 1 75 75 ASP H H 75 8.566 8.566 8.162 0.404 18441 2233 1 6 . 1 1 76 76 GLN N N 76 118.324 118.324 117.418 0.906 18441 2234 1 6 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.148 -0.092 18441 2235 1 6 . 1 1 76 76 GLN CA C 76 58.430 58.430 57.880 0.550 18441 2236 1 6 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.792 0.638 18441 2237 1 6 . 1 1 76 76 GLN H H 76 7.844 7.844 7.928 -0.085 18441 2238 1 6 . 1 1 77 77 LEU N N 77 117.932 117.932 119.031 -1.099 18441 2239 1 6 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.678 -0.481 18441 2240 1 6 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.153 -0.243 18441 2241 1 6 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.194 3.210 18441 2242 1 6 . 1 1 77 77 LEU H H 77 7.665 7.665 7.782 -0.117 18441 2243 1 6 . 1 1 78 78 THR N N 78 110.323 110.323 113.339 -3.016 18441 2244 1 6 . 1 1 78 78 THR HA H 78 3.709 3.709 4.177 -0.468 18441 2245 1 6 . 1 1 78 78 THR CA C 78 59.750 59.750 66.884 -7.134 18441 2246 1 6 . 1 1 78 78 THR CB C 78 69.110 69.110 67.774 1.336 18441 2247 1 6 . 1 1 78 78 THR H H 78 7.130 7.130 7.775 -0.645 18441 2248 1 6 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.394 -0.148 18441 2249 1 6 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.901 -0.221 18441 2250 1 6 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.853 0.538 18441 2251 1 7 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.935 -0.405 18441 2252 1 7 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.349 1.241 18441 2253 1 7 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.921 -0.228 18441 2254 1 7 . 1 1 3 3 ARG N N 3 121.498 121.498 119.661 1.837 18441 2255 1 7 . 1 1 3 3 ARG HA H 3 4.241 4.241 3.931 0.310 18441 2256 1 7 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.411 -0.741 18441 2257 1 7 . 1 1 3 3 ARG CB C 3 30.510 30.510 29.267 1.243 18441 2258 1 7 . 1 1 3 3 ARG H H 3 8.382 8.382 8.832 -0.450 18441 2259 1 7 . 1 1 4 4 LYS N N 4 122.257 122.257 119.992 2.265 18441 2260 1 7 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.077 -0.019 18441 2261 1 7 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.152 0.558 18441 2262 1 7 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.491 0.785 18441 2263 1 7 . 1 1 4 4 LYS H H 4 8.226 8.226 7.786 0.440 18441 2264 1 7 . 1 1 5 5 VAL N N 5 120.494 120.494 118.552 1.942 18441 2265 1 7 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.724 -0.003 18441 2266 1 7 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.879 0.771 18441 2267 1 7 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.492 0.582 18441 2268 1 7 . 1 1 5 5 VAL H H 5 8.109 8.109 8.176 -0.067 18441 2269 1 7 . 1 1 6 6 ALA N N 6 123.149 123.149 122.904 0.245 18441 2270 1 7 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.290 -0.255 18441 2271 1 7 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.179 0.711 18441 2272 1 7 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.315 0.945 18441 2273 1 7 . 1 1 6 6 ALA H H 6 8.374 8.374 7.706 0.668 18441 2274 1 7 . 1 1 7 7 ARG N N 7 119.587 119.587 118.597 0.990 18441 2275 1 7 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.908 0.093 18441 2276 1 7 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.103 0.667 18441 2277 1 7 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.099 0.670 18441 2278 1 7 . 1 1 7 7 ARG H H 7 7.992 7.992 7.779 0.213 18441 2279 1 7 . 1 1 8 8 GLU N N 8 119.745 119.745 120.405 -0.660 18441 2280 1 7 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.167 -0.109 18441 2281 1 7 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.645 0.126 18441 2282 1 7 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.437 0.513 18441 2283 1 7 . 1 1 8 8 GLU H H 8 8.165 8.165 8.327 -0.162 18441 2284 1 7 . 1 1 9 9 PHE N N 9 121.436 121.436 119.998 1.438 18441 2285 1 7 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.436 -0.309 18441 2286 1 7 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.995 3.025 18441 2287 1 7 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.767 0.855 18441 2288 1 7 . 1 1 9 9 PHE H H 9 8.180 8.180 8.155 0.025 18441 2289 1 7 . 1 1 10 10 ARG N N 10 119.028 119.028 120.019 -0.991 18441 2290 1 7 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.424 0.437 18441 2291 1 7 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.243 0.337 18441 2292 1 7 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.337 0.983 18441 2293 1 7 . 1 1 10 10 ARG H H 10 7.910 7.910 7.956 -0.046 18441 2294 1 7 . 1 1 11 11 HIS N N 11 116.563 116.563 118.504 -1.941 18441 2295 1 7 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.253 0.203 18441 2296 1 7 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.981 0.199 18441 2297 1 7 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.963 0.067 18441 2298 1 7 . 1 1 11 11 HIS H H 11 8.001 8.001 8.245 -0.244 18441 2299 1 7 . 1 1 12 12 LYS N N 12 120.773 120.773 119.128 1.645 18441 2300 1 7 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.932 0.076 18441 2301 1 7 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.572 0.408 18441 2302 1 7 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.351 0.342 18441 2303 1 7 . 1 1 12 12 LYS H H 12 7.796 7.796 7.745 0.051 18441 2304 1 7 . 1 1 13 13 VAL N N 13 120.125 120.125 120.276 -0.151 18441 2305 1 7 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.613 -0.502 18441 2306 1 7 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.122 1.058 18441 2307 1 7 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.407 0.733 18441 2308 1 7 . 1 1 13 13 VAL H H 13 7.821 7.821 7.924 -0.103 18441 2309 1 7 . 1 1 14 14 ASP N N 14 117.462 117.462 119.193 -1.731 18441 2310 1 7 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.362 -0.100 18441 2311 1 7 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.493 -0.093 18441 2312 1 7 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.916 0.398 18441 2313 1 7 . 1 1 14 14 ASP H H 14 8.276 8.276 7.819 0.457 18441 2314 1 7 . 1 1 15 15 PHE N N 15 117.914 117.914 119.235 -1.321 18441 2315 1 7 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.306 0.056 18441 2316 1 7 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.596 -0.406 18441 2317 1 7 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.511 1.187 18441 2318 1 7 . 1 1 15 15 PHE H H 15 7.664 7.664 7.723 -0.059 18441 2319 1 7 . 1 1 16 16 LEU N N 16 116.737 116.737 117.026 -0.289 18441 2320 1 7 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.397 -0.163 18441 2321 1 7 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.964 1.456 18441 2322 1 7 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.635 2.443 18441 2323 1 7 . 1 1 16 16 LEU H H 16 7.658 7.658 7.901 -0.243 18441 2324 1 7 . 1 1 17 17 ILE N N 17 120.533 120.533 117.224 3.309 18441 2325 1 7 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.327 -0.219 18441 2326 1 7 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.082 1.458 18441 2327 1 7 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.179 1.178 18441 2328 1 7 . 1 1 17 17 ILE H H 17 8.336 8.336 7.483 0.853 18441 2329 1 7 . 1 1 18 18 GLU N N 18 124.531 124.531 123.931 0.600 18441 2330 1 7 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.019 0.191 18441 2331 1 7 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.677 -0.077 18441 2332 1 7 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.525 1.485 18441 2333 1 7 . 1 1 18 18 GLU H H 18 8.276 8.276 8.633 -0.357 18441 2334 1 7 . 1 1 19 19 ASN N N 19 117.630 117.630 118.924 -1.294 18441 2335 1 7 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.516 0.289 18441 2336 1 7 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.767 -0.029 18441 2337 1 7 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.576 1.602 18441 2338 1 7 . 1 1 19 19 ASN H H 19 7.700 7.700 8.017 -0.317 18441 2339 1 7 . 1 1 20 20 ASP N N 20 127.428 127.428 118.805 8.623 18441 2340 1 7 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.579 -0.330 18441 2341 1 7 . 1 1 20 20 ASP CA C 20 58.850 58.850 55.912 2.938 18441 2342 1 7 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.093 0.221 18441 2343 1 7 . 1 1 20 20 ASP H H 20 8.998 8.998 8.434 0.564 18441 2344 1 7 . 1 1 21 21 ALA N N 21 122.271 122.271 123.324 -1.053 18441 2345 1 7 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.209 0.051 18441 2346 1 7 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.081 0.919 18441 2347 1 7 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.142 0.508 18441 2348 1 7 . 1 1 21 21 ALA H H 21 8.346 8.346 8.214 0.132 18441 2349 1 7 . 1 1 22 22 GLU N N 22 118.716 118.716 117.995 0.721 18441 2350 1 7 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.001 0.113 18441 2351 1 7 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.086 0.274 18441 2352 1 7 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.043 2.729 18441 2353 1 7 . 1 1 22 22 GLU H H 22 7.724 7.724 8.833 -1.109 18441 2354 1 7 . 1 1 23 23 LYS N N 23 121.088 121.088 117.624 3.464 18441 2355 1 7 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.745 0.066 18441 2356 1 7 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.227 2.443 18441 2357 1 7 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.815 1.255 18441 2358 1 7 . 1 1 23 23 LYS H H 23 7.618 7.618 8.047 -0.429 18441 2359 1 7 . 1 1 24 24 ASP N N 24 119.010 119.010 120.436 -1.426 18441 2360 1 7 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.502 -0.013 18441 2361 1 7 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.939 0.571 18441 2362 1 7 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.759 0.078 18441 2363 1 7 . 1 1 24 24 ASP H H 24 8.424 8.424 7.507 0.917 18441 2364 1 7 . 1 1 25 25 TYR N N 25 120.417 120.417 120.647 -0.230 18441 2365 1 7 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.190 0.053 18441 2366 1 7 . 1 1 25 25 TYR CA C 25 62.190 62.190 60.459 1.731 18441 2367 1 7 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.398 0.101 18441 2368 1 7 . 1 1 25 25 TYR H H 25 7.676 7.676 8.354 -0.678 18441 2369 1 7 . 1 1 26 26 LEU N N 26 120.960 120.960 121.046 -0.086 18441 2370 1 7 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.922 -0.321 18441 2371 1 7 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.036 1.403 18441 2372 1 7 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.471 0.680 18441 2373 1 7 . 1 1 26 26 LEU H H 26 7.965 7.965 7.878 0.087 18441 2374 1 7 . 1 1 27 27 TYR N N 27 116.521 116.521 117.896 -1.375 18441 2375 1 7 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.151 -0.375 18441 2376 1 7 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.815 4.595 18441 2377 1 7 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.045 1.358 18441 2378 1 7 . 1 1 27 27 TYR H H 27 8.097 8.097 7.991 0.106 18441 2379 1 7 . 1 1 28 28 ASP N N 28 123.384 123.384 119.824 3.560 18441 2380 1 7 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.454 0.022 18441 2381 1 7 . 1 1 28 28 ASP CA C 28 58.540 58.540 58.044 0.496 18441 2382 1 7 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.384 1.010 18441 2383 1 7 . 1 1 28 28 ASP H H 28 8.355 8.355 8.012 0.343 18441 2384 1 7 . 1 1 29 29 VAL N N 29 121.272 121.272 120.768 0.504 18441 2385 1 7 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.718 -0.005 18441 2386 1 7 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.130 -0.480 18441 2387 1 7 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.914 0.004 18441 2388 1 7 . 1 1 29 29 VAL H H 29 8.252 8.252 8.019 0.233 18441 2389 1 7 . 1 1 30 30 LEU N N 30 122.443 122.443 119.868 2.575 18441 2390 1 7 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.124 -0.081 18441 2391 1 7 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.350 0.530 18441 2392 1 7 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.745 0.536 18441 2393 1 7 . 1 1 30 30 LEU H H 30 7.987 7.987 8.067 -0.080 18441 2394 1 7 . 1 1 31 31 ARG N N 31 122.386 122.386 118.940 3.446 18441 2395 1 7 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.073 -0.057 18441 2396 1 7 . 1 1 31 31 ARG CA C 31 60.380 60.380 58.983 1.397 18441 2397 1 7 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.017 0.383 18441 2398 1 7 . 1 1 31 31 ARG H H 31 8.637 8.637 8.397 0.240 18441 2399 1 7 . 1 1 32 32 MET N N 32 120.006 120.006 119.401 0.605 18441 2400 1 7 . 1 1 32 32 MET HA H 32 4.359 4.359 4.394 -0.035 18441 2401 1 7 . 1 1 32 32 MET CA C 32 58.490 58.490 58.938 -0.448 18441 2402 1 7 . 1 1 32 32 MET CB C 32 31.677 31.677 32.319 -0.642 18441 2403 1 7 . 1 1 32 32 MET H H 32 8.327 8.327 8.449 -0.122 18441 2404 1 7 . 1 1 33 33 TYR N N 33 123.220 123.220 121.500 1.720 18441 2405 1 7 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.290 0.434 18441 2406 1 7 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.202 0.798 18441 2407 1 7 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.765 1.922 18441 2408 1 7 . 1 1 33 33 TYR H H 33 8.054 8.054 8.745 -0.691 18441 2409 1 7 . 1 1 34 34 HIS N N 34 120.860 120.860 118.332 2.528 18441 2410 1 7 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.140 -0.364 18441 2411 1 7 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.328 1.383 18441 2412 1 7 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.384 1.008 18441 2413 1 7 . 1 1 34 34 HIS H H 34 8.548 8.548 7.948 0.600 18441 2414 1 7 . 1 1 35 35 GLN N N 35 113.582 113.582 118.404 -4.822 18441 2415 1 7 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.281 -0.281 18441 2416 1 7 . 1 1 35 35 GLN CA C 35 58.680 58.680 57.956 0.723 18441 2417 1 7 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.259 1.291 18441 2418 1 7 . 1 1 35 35 GLN H H 35 7.542 7.542 8.256 -0.714 18441 2419 1 7 . 1 1 36 36 THR N N 36 111.117 111.117 111.098 0.019 18441 2420 1 7 . 1 1 36 36 THR HA H 36 4.214 4.214 4.242 -0.028 18441 2421 1 7 . 1 1 36 36 THR CA C 36 63.980 63.980 62.781 1.199 18441 2422 1 7 . 1 1 36 36 THR CB C 36 71.670 71.670 69.707 1.963 18441 2423 1 7 . 1 1 36 36 THR H H 36 8.569 8.569 8.351 0.218 18441 2424 1 7 . 1 1 37 37 MET N N 37 120.444 120.444 118.502 1.942 18441 2425 1 7 . 1 1 37 37 MET HA H 37 3.740 3.740 4.177 -0.437 18441 2426 1 7 . 1 1 37 37 MET CA C 37 56.430 56.430 56.328 0.102 18441 2427 1 7 . 1 1 37 37 MET CB C 37 31.399 31.399 30.414 0.985 18441 2428 1 7 . 1 1 37 37 MET H H 37 9.542 9.542 7.688 1.854 18441 2429 1 7 . 1 1 38 38 ASP N N 38 117.020 117.020 120.819 -3.799 18441 2430 1 7 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.899 0.045 18441 2431 1 7 . 1 1 38 38 ASP CA C 38 53.476 53.476 52.930 0.546 18441 2432 1 7 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.476 -0.436 18441 2433 1 7 . 1 1 38 38 ASP H H 38 7.456 7.456 7.875 -0.419 18441 2434 1 7 . 1 1 39 39 VAL N N 39 128.507 128.507 123.992 4.515 18441 2435 1 7 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.569 0.262 18441 2436 1 7 . 1 1 39 39 VAL CA C 39 64.840 64.840 65.012 -0.172 18441 2437 1 7 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.663 1.037 18441 2438 1 7 . 1 1 39 39 VAL H H 39 8.425 8.425 8.569 -0.144 18441 2439 1 7 . 1 1 40 40 ALA N N 40 125.621 125.621 121.459 4.162 18441 2440 1 7 . 1 1 40 40 ALA HA H 40 3.987 3.987 3.976 0.011 18441 2441 1 7 . 1 1 40 40 ALA CA C 40 55.860 55.860 54.870 0.990 18441 2442 1 7 . 1 1 40 40 ALA CB C 40 18.470 18.470 17.922 0.548 18441 2443 1 7 . 1 1 40 40 ALA H H 40 7.998 7.998 8.251 -0.253 18441 2444 1 7 . 1 1 41 41 VAL N N 41 122.132 122.132 118.096 4.036 18441 2445 1 7 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.790 -0.219 18441 2446 1 7 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.053 0.627 18441 2447 1 7 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.369 1.333 18441 2448 1 7 . 1 1 41 41 VAL H H 41 7.663 7.663 7.807 -0.144 18441 2449 1 7 . 1 1 42 42 LEU N N 42 120.190 120.190 118.945 1.245 18441 2450 1 7 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.169 0.091 18441 2451 1 7 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.374 0.616 18441 2452 1 7 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.037 -0.332 18441 2453 1 7 . 1 1 42 42 LEU H H 42 7.361 7.361 7.405 -0.044 18441 2454 1 7 . 1 1 43 43 VAL N N 43 116.802 116.802 119.331 -2.529 18441 2455 1 7 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.876 -0.459 18441 2456 1 7 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.495 3.285 18441 2457 1 7 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.516 1.464 18441 2458 1 7 . 1 1 43 43 VAL H H 43 8.062 8.062 7.771 0.291 18441 2459 1 7 . 1 1 44 44 GLY N N 44 106.242 106.242 108.530 -2.288 18441 2460 1 7 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.377 0.939 18441 2461 1 7 . 1 1 44 44 GLY H H 44 7.901 7.901 8.044 -0.143 18441 2462 1 7 . 1 1 45 45 ASP N N 45 123.359 123.359 123.203 0.156 18441 2463 1 7 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.301 0.364 18441 2464 1 7 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.206 0.554 18441 2465 1 7 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.370 0.498 18441 2466 1 7 . 1 1 45 45 ASP H H 45 8.680 8.680 7.820 0.860 18441 2467 1 7 . 1 1 46 46 LEU N N 46 123.201 123.201 120.113 3.088 18441 2468 1 7 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.553 0.513 18441 2469 1 7 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.651 0.469 18441 2470 1 7 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.489 1.510 18441 2471 1 7 . 1 1 46 46 LEU H H 46 9.018 9.018 8.227 0.791 18441 2472 1 7 . 1 1 47 47 LYS N N 47 119.196 119.196 118.657 0.539 18441 2473 1 7 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.903 0.067 18441 2474 1 7 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.540 0.750 18441 2475 1 7 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.109 1.032 18441 2476 1 7 . 1 1 47 47 LYS H H 47 8.017 8.017 7.335 0.682 18441 2477 1 7 . 1 1 48 48 LEU N N 48 116.358 116.358 119.014 -2.656 18441 2478 1 7 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.004 0.157 18441 2479 1 7 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.380 0.290 18441 2480 1 7 . 1 1 48 48 LEU CB C 48 42.160 42.160 41.822 0.338 18441 2481 1 7 . 1 1 48 48 LEU H H 48 7.143 7.143 7.281 -0.138 18441 2482 1 7 . 1 1 49 49 VAL N N 49 112.662 112.662 114.421 -1.759 18441 2483 1 7 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.968 0.505 18441 2484 1 7 . 1 1 49 49 VAL CA C 49 62.060 62.060 61.891 0.169 18441 2485 1 7 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.334 2.833 18441 2486 1 7 . 1 1 49 49 VAL H H 49 7.266 7.266 7.168 0.098 18441 2487 1 7 . 1 1 50 50 ILE N N 50 124.631 124.631 117.759 6.872 18441 2488 1 7 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.245 -0.400 18441 2489 1 7 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.333 1.257 18441 2490 1 7 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.318 -3.157 18441 2491 1 7 . 1 1 50 50 ILE H H 50 8.475 8.475 7.476 0.999 18441 2492 1 7 . 1 1 51 51 ASN N N 51 119.027 119.027 118.869 0.158 18441 2493 1 7 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.686 0.021 18441 2494 1 7 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.381 0.067 18441 2495 1 7 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.279 0.681 18441 2496 1 7 . 1 1 51 51 ASN H H 51 7.347 7.347 8.063 -0.716 18441 2497 1 7 . 1 1 52 52 GLU N N 52 115.889 115.889 118.437 -2.548 18441 2498 1 7 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.765 0.123 18441 2499 1 7 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.079 1.706 18441 2500 1 7 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.835 0.185 18441 2501 1 7 . 1 1 52 52 GLU H H 52 7.438 7.438 7.529 -0.091 18441 2502 1 7 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.268 -0.058 18441 2503 1 7 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.614 1.346 18441 2504 1 7 . 1 1 53 53 PRO CB C 53 32.948 32.948 32.007 0.942 18441 2505 1 7 . 1 1 54 54 SER N N 54 113.711 113.711 110.201 3.510 18441 2506 1 7 . 1 1 54 54 SER HA H 54 4.173 4.173 4.385 -0.212 18441 2507 1 7 . 1 1 54 54 SER CA C 54 61.650 61.650 60.484 1.166 18441 2508 1 7 . 1 1 54 54 SER CB C 54 62.930 62.930 63.458 -0.528 18441 2509 1 7 . 1 1 54 54 SER H H 54 8.946 8.946 8.148 0.798 18441 2510 1 7 . 1 1 55 55 ARG N N 55 116.455 116.455 118.832 -2.377 18441 2511 1 7 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.331 0.073 18441 2512 1 7 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.093 0.218 18441 2513 1 7 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.350 3.262 18441 2514 1 7 . 1 1 55 55 ARG H H 55 7.759 7.759 7.812 -0.053 18441 2515 1 7 . 1 1 56 56 LEU N N 56 121.468 121.468 123.174 -1.706 18441 2516 1 7 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.308 -0.173 18441 2517 1 7 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.019 -0.119 18441 2518 1 7 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.503 1.494 18441 2519 1 7 . 1 1 56 56 LEU H H 56 7.472 7.472 8.487 -1.015 18441 2520 1 7 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.187 0.509 18441 2521 1 7 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.189 -0.009 18441 2522 1 7 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.125 1.264 18441 2523 1 7 . 1 1 58 58 LEU N N 58 119.923 119.923 117.426 2.497 18441 2524 1 7 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.141 -0.091 18441 2525 1 7 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.418 0.902 18441 2526 1 7 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.580 0.448 18441 2527 1 7 . 1 1 58 58 LEU H H 58 8.734 8.734 7.652 1.082 18441 2528 1 7 . 1 1 59 59 PHE N N 59 116.632 116.632 121.250 -4.618 18441 2529 1 7 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.359 0.120 18441 2530 1 7 . 1 1 59 59 PHE CA C 59 63.080 63.080 59.698 3.382 18441 2531 1 7 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.867 -0.014 18441 2532 1 7 . 1 1 59 59 PHE H H 59 8.312 8.312 8.693 -0.381 18441 2533 1 7 . 1 1 60 60 ASP N N 60 120.603 120.603 118.864 1.739 18441 2534 1 7 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.397 0.274 18441 2535 1 7 . 1 1 60 60 ASP CA C 60 57.870 57.870 57.448 0.422 18441 2536 1 7 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.833 0.708 18441 2537 1 7 . 1 1 60 60 ASP H H 60 7.462 7.462 7.820 -0.358 18441 2538 1 7 . 1 1 61 61 ALA N N 61 122.470 122.470 122.454 0.016 18441 2539 1 7 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.967 0.294 18441 2540 1 7 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.558 -0.012 18441 2541 1 7 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.740 0.140 18441 2542 1 7 . 1 1 61 61 ALA H H 61 7.664 7.664 7.720 -0.056 18441 2543 1 7 . 1 1 62 62 ILE N N 62 115.525 115.525 117.895 -2.370 18441 2544 1 7 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.128 0.554 18441 2545 1 7 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.140 0.280 18441 2546 1 7 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.036 2.119 18441 2547 1 7 . 1 1 62 62 ILE H H 62 7.653 7.653 7.411 0.242 18441 2548 1 7 . 1 1 63 63 ARG N N 63 121.016 121.016 120.474 0.542 18441 2549 1 7 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.421 0.053 18441 2550 1 7 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.456 0.914 18441 2551 1 7 . 1 1 63 63 ARG H H 63 6.917 6.917 7.443 -0.526 18441 2552 1 7 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.156 0.155 18441 2553 1 7 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.113 0.627 18441 2554 1 7 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.071 1.116 18441 2555 1 7 . 1 1 65 65 LEU N N 65 114.713 114.713 117.120 -2.407 18441 2556 1 7 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.093 -0.173 18441 2557 1 7 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.089 -0.429 18441 2558 1 7 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.868 0.240 18441 2559 1 7 . 1 1 65 65 LEU H H 65 8.074 8.074 7.495 0.579 18441 2560 1 7 . 1 1 66 66 ILE N N 66 120.129 120.129 118.627 1.502 18441 2561 1 7 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.130 0.175 18441 2562 1 7 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.877 -5.117 18441 2563 1 7 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.395 -0.751 18441 2564 1 7 . 1 1 66 66 ILE H H 66 7.398 7.398 7.407 -0.009 18441 2565 1 7 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.363 -0.058 18441 2566 1 7 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.904 0.736 18441 2567 1 7 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.364 0.925 18441 2568 1 7 . 1 1 68 68 LEU N N 68 124.673 124.673 122.393 2.280 18441 2569 1 7 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.905 -0.055 18441 2570 1 7 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.521 0.099 18441 2571 1 7 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.490 0.977 18441 2572 1 7 . 1 1 68 68 LEU H H 68 8.471 8.471 8.356 0.115 18441 2573 1 7 . 1 1 69 69 LYS N N 69 115.247 115.247 118.938 -3.691 18441 2574 1 7 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.019 0.150 18441 2575 1 7 . 1 1 69 69 LYS CA C 69 59.020 59.020 58.987 0.033 18441 2576 1 7 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.767 0.739 18441 2577 1 7 . 1 1 69 69 LYS H H 69 8.536 8.536 8.334 0.202 18441 2578 1 7 . 1 1 70 70 HIS N N 70 118.849 118.849 118.606 0.243 18441 2579 1 7 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.372 0.853 18441 2580 1 7 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.333 -3.444 18441 2581 1 7 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.501 5.537 18441 2582 1 7 . 1 1 70 70 HIS H H 70 8.060 8.060 8.203 -0.143 18441 2583 1 7 . 1 1 71 71 GLN N N 71 122.130 122.130 119.433 2.697 18441 2584 1 7 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.010 -0.311 18441 2585 1 7 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.424 2.266 18441 2586 1 7 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.788 0.462 18441 2587 1 7 . 1 1 71 71 GLN H H 71 7.732 7.732 8.503 -0.771 18441 2588 1 7 . 1 1 72 72 VAL N N 72 119.182 119.182 119.476 -0.294 18441 2589 1 7 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.675 0.133 18441 2590 1 7 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.686 0.534 18441 2591 1 7 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.180 0.634 18441 2592 1 7 . 1 1 72 72 VAL H H 72 8.203 8.203 7.734 0.469 18441 2593 1 7 . 1 1 73 73 GLU N N 73 121.878 121.878 120.005 1.873 18441 2594 1 7 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.277 -0.299 18441 2595 1 7 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.045 1.055 18441 2596 1 7 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.528 1.132 18441 2597 1 7 . 1 1 73 73 GLU H H 73 8.136 8.136 7.873 0.263 18441 2598 1 7 . 1 1 74 74 TYR N N 74 119.780 119.780 121.002 -1.222 18441 2599 1 7 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.060 -0.383 18441 2600 1 7 . 1 1 74 74 TYR CA C 74 63.310 63.310 62.213 1.097 18441 2601 1 7 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.414 1.606 18441 2602 1 7 . 1 1 74 74 TYR H H 74 8.491 8.491 8.283 0.208 18441 2603 1 7 . 1 1 75 75 ASP N N 75 120.231 120.231 117.778 2.453 18441 2604 1 7 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.372 -0.229 18441 2605 1 7 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.837 0.723 18441 2606 1 7 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.616 -0.038 18441 2607 1 7 . 1 1 75 75 ASP H H 75 8.566 8.566 7.882 0.684 18441 2608 1 7 . 1 1 76 76 GLN N N 76 118.324 118.324 117.027 1.297 18441 2609 1 7 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.039 0.017 18441 2610 1 7 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.285 0.145 18441 2611 1 7 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.051 0.379 18441 2612 1 7 . 1 1 76 76 GLN H H 76 7.844 7.844 7.677 0.167 18441 2613 1 7 . 1 1 77 77 LEU N N 77 117.932 117.932 116.426 1.506 18441 2614 1 7 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.191 0.006 18441 2615 1 7 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.493 0.417 18441 2616 1 7 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.874 2.530 18441 2617 1 7 . 1 1 77 77 LEU H H 77 7.665 7.665 7.403 0.262 18441 2618 1 7 . 1 1 78 78 THR N N 78 110.323 110.323 112.016 -1.693 18441 2619 1 7 . 1 1 78 78 THR HA H 78 3.709 3.709 4.276 -0.567 18441 2620 1 7 . 1 1 78 78 THR CA C 78 59.750 59.750 59.247 0.503 18441 2621 1 7 . 1 1 78 78 THR CB C 78 69.110 69.110 69.394 -0.284 18441 2622 1 7 . 1 1 78 78 THR H H 78 7.130 7.130 7.624 -0.494 18441 2623 1 7 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.486 -0.240 18441 2624 1 7 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.114 0.566 18441 2625 1 7 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.361 0.030 18441 2626 1 8 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.727 -0.197 18441 2627 1 8 . 1 1 2 2 ASP CA C 2 55.590 55.590 55.905 -0.315 18441 2628 1 8 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.457 0.236 18441 2629 1 8 . 1 1 3 3 ARG N N 3 121.498 121.498 120.676 0.822 18441 2630 1 8 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.179 0.062 18441 2631 1 8 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.133 -0.464 18441 2632 1 8 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.037 0.473 18441 2633 1 8 . 1 1 3 3 ARG H H 3 8.382 8.382 8.289 0.093 18441 2634 1 8 . 1 1 4 4 LYS N N 4 122.257 122.257 119.698 2.559 18441 2635 1 8 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.082 -0.024 18441 2636 1 8 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.782 -0.072 18441 2637 1 8 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.870 1.406 18441 2638 1 8 . 1 1 4 4 LYS H H 4 8.226 8.226 8.321 -0.095 18441 2639 1 8 . 1 1 5 5 VAL N N 5 120.494 120.494 118.410 2.084 18441 2640 1 8 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.798 -0.077 18441 2641 1 8 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.468 1.182 18441 2642 1 8 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.137 0.937 18441 2643 1 8 . 1 1 5 5 VAL H H 5 8.109 8.109 7.560 0.549 18441 2644 1 8 . 1 1 6 6 ALA N N 6 123.149 123.149 123.311 -0.162 18441 2645 1 8 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.276 -0.241 18441 2646 1 8 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.377 0.513 18441 2647 1 8 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.370 0.890 18441 2648 1 8 . 1 1 6 6 ALA H H 6 8.374 8.374 7.402 0.972 18441 2649 1 8 . 1 1 7 7 ARG N N 7 119.587 119.587 118.484 1.103 18441 2650 1 8 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.944 0.057 18441 2651 1 8 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.467 0.303 18441 2652 1 8 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.242 0.528 18441 2653 1 8 . 1 1 7 7 ARG H H 7 7.992 7.992 7.954 0.038 18441 2654 1 8 . 1 1 8 8 GLU N N 8 119.745 119.745 120.058 -0.313 18441 2655 1 8 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.193 -0.135 18441 2656 1 8 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.597 0.173 18441 2657 1 8 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.775 0.175 18441 2658 1 8 . 1 1 8 8 GLU H H 8 8.165 8.165 8.329 -0.164 18441 2659 1 8 . 1 1 9 9 PHE N N 9 121.436 121.436 120.066 1.370 18441 2660 1 8 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.369 -0.242 18441 2661 1 8 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.136 2.884 18441 2662 1 8 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.507 1.116 18441 2663 1 8 . 1 1 9 9 PHE H H 9 8.180 8.180 8.289 -0.108 18441 2664 1 8 . 1 1 10 10 ARG N N 10 119.028 119.028 119.467 -0.439 18441 2665 1 8 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.602 0.259 18441 2666 1 8 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.466 1.114 18441 2667 1 8 . 1 1 10 10 ARG CB C 10 30.320 30.320 28.569 1.751 18441 2668 1 8 . 1 1 10 10 ARG H H 10 7.910 7.910 7.982 -0.072 18441 2669 1 8 . 1 1 11 11 HIS N N 11 116.563 116.563 119.543 -2.980 18441 2670 1 8 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.274 0.182 18441 2671 1 8 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.926 0.254 18441 2672 1 8 . 1 1 11 11 HIS CB C 11 30.030 30.030 30.031 -0.001 18441 2673 1 8 . 1 1 11 11 HIS H H 11 8.001 8.001 8.090 -0.089 18441 2674 1 8 . 1 1 12 12 LYS N N 12 120.773 120.773 119.160 1.613 18441 2675 1 8 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.937 0.071 18441 2676 1 8 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.578 0.402 18441 2677 1 8 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.372 0.321 18441 2678 1 8 . 1 1 12 12 LYS H H 12 7.796 7.796 7.754 0.042 18441 2679 1 8 . 1 1 13 13 VAL N N 13 120.125 120.125 120.173 -0.048 18441 2680 1 8 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.640 -0.529 18441 2681 1 8 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.118 1.062 18441 2682 1 8 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.289 0.851 18441 2683 1 8 . 1 1 13 13 VAL H H 13 7.821 7.821 7.801 0.020 18441 2684 1 8 . 1 1 14 14 ASP N N 14 117.462 117.462 119.470 -2.008 18441 2685 1 8 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.332 -0.070 18441 2686 1 8 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.441 -0.041 18441 2687 1 8 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.961 0.353 18441 2688 1 8 . 1 1 14 14 ASP H H 14 8.276 8.276 7.831 0.445 18441 2689 1 8 . 1 1 15 15 PHE N N 15 117.914 117.914 119.406 -1.492 18441 2690 1 8 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.301 0.061 18441 2691 1 8 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.586 -0.396 18441 2692 1 8 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.513 1.185 18441 2693 1 8 . 1 1 15 15 PHE H H 15 7.664 7.664 7.725 -0.061 18441 2694 1 8 . 1 1 16 16 LEU N N 16 116.737 116.737 116.328 0.409 18441 2695 1 8 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.128 0.106 18441 2696 1 8 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.711 1.709 18441 2697 1 8 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.148 2.930 18441 2698 1 8 . 1 1 16 16 LEU H H 16 7.658 7.658 7.942 -0.284 18441 2699 1 8 . 1 1 17 17 ILE N N 17 120.533 120.533 117.881 2.652 18441 2700 1 8 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.380 -0.272 18441 2701 1 8 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.840 1.700 18441 2702 1 8 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.142 1.215 18441 2703 1 8 . 1 1 17 17 ILE H H 17 8.336 8.336 7.152 1.184 18441 2704 1 8 . 1 1 18 18 GLU N N 18 124.531 124.531 123.394 1.137 18441 2705 1 8 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.062 0.148 18441 2706 1 8 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.628 -0.028 18441 2707 1 8 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.498 1.512 18441 2708 1 8 . 1 1 18 18 GLU H H 18 8.276 8.276 8.678 -0.402 18441 2709 1 8 . 1 1 19 19 ASN N N 19 117.630 117.630 120.603 -2.973 18441 2710 1 8 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.717 0.088 18441 2711 1 8 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.603 0.135 18441 2712 1 8 . 1 1 19 19 ASN CB C 19 41.178 41.178 38.657 2.521 18441 2713 1 8 . 1 1 19 19 ASN H H 19 7.700 7.700 7.934 -0.234 18441 2714 1 8 . 1 1 20 20 ASP N N 20 127.428 127.428 125.004 2.424 18441 2715 1 8 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.334 -0.085 18441 2716 1 8 . 1 1 20 20 ASP CA C 20 58.850 58.850 57.178 1.672 18441 2717 1 8 . 1 1 20 20 ASP CB C 20 41.314 41.314 40.582 0.732 18441 2718 1 8 . 1 1 20 20 ASP H H 20 8.998 8.998 8.867 0.131 18441 2719 1 8 . 1 1 21 21 ALA N N 21 122.271 122.271 122.287 -0.016 18441 2720 1 8 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.088 0.172 18441 2721 1 8 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.160 0.840 18441 2722 1 8 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.318 0.332 18441 2723 1 8 . 1 1 21 21 ALA H H 21 8.346 8.346 8.154 0.192 18441 2724 1 8 . 1 1 22 22 GLU N N 22 118.716 118.716 119.296 -0.580 18441 2725 1 8 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.986 0.128 18441 2726 1 8 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.419 0.941 18441 2727 1 8 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.099 2.672 18441 2728 1 8 . 1 1 22 22 GLU H H 22 7.724 7.724 8.616 -0.892 18441 2729 1 8 . 1 1 23 23 LYS N N 23 121.088 121.088 118.060 3.028 18441 2730 1 8 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.807 0.004 18441 2731 1 8 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.252 2.418 18441 2732 1 8 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.053 1.017 18441 2733 1 8 . 1 1 23 23 LYS H H 23 7.618 7.618 7.430 0.188 18441 2734 1 8 . 1 1 24 24 ASP N N 24 119.010 119.010 120.953 -1.943 18441 2735 1 8 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.627 -0.138 18441 2736 1 8 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.637 0.873 18441 2737 1 8 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.852 -0.015 18441 2738 1 8 . 1 1 24 24 ASP H H 24 8.424 8.424 7.936 0.488 18441 2739 1 8 . 1 1 25 25 TYR N N 25 120.417 120.417 120.066 0.351 18441 2740 1 8 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.262 -0.019 18441 2741 1 8 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.467 0.723 18441 2742 1 8 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.562 -0.063 18441 2743 1 8 . 1 1 25 25 TYR H H 25 7.676 7.676 8.021 -0.345 18441 2744 1 8 . 1 1 26 26 LEU N N 26 120.960 120.960 120.015 0.945 18441 2745 1 8 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.834 -0.233 18441 2746 1 8 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.726 0.714 18441 2747 1 8 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.533 0.618 18441 2748 1 8 . 1 1 26 26 LEU H H 26 7.965 7.965 7.982 -0.017 18441 2749 1 8 . 1 1 27 27 TYR N N 27 116.521 116.521 118.179 -1.658 18441 2750 1 8 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.093 -0.317 18441 2751 1 8 . 1 1 27 27 TYR CA C 27 64.410 64.410 60.042 4.368 18441 2752 1 8 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.250 1.153 18441 2753 1 8 . 1 1 27 27 TYR H H 27 8.097 8.097 8.377 -0.280 18441 2754 1 8 . 1 1 28 28 ASP N N 28 123.384 123.384 119.310 4.074 18441 2755 1 8 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.483 -0.007 18441 2756 1 8 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.097 1.443 18441 2757 1 8 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.613 0.781 18441 2758 1 8 . 1 1 28 28 ASP H H 28 8.355 8.355 7.867 0.488 18441 2759 1 8 . 1 1 29 29 VAL N N 29 121.272 121.272 119.958 1.314 18441 2760 1 8 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.775 -0.062 18441 2761 1 8 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.665 -0.015 18441 2762 1 8 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.733 0.185 18441 2763 1 8 . 1 1 29 29 VAL H H 29 8.252 8.252 8.021 0.231 18441 2764 1 8 . 1 1 30 30 LEU N N 30 122.443 122.443 120.327 2.116 18441 2765 1 8 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.039 0.004 18441 2766 1 8 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.357 0.523 18441 2767 1 8 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.656 0.625 18441 2768 1 8 . 1 1 30 30 LEU H H 30 7.987 7.987 8.423 -0.436 18441 2769 1 8 . 1 1 31 31 ARG N N 31 122.386 122.386 117.989 4.397 18441 2770 1 8 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.008 0.008 18441 2771 1 8 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.754 0.626 18441 2772 1 8 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.176 0.224 18441 2773 1 8 . 1 1 31 31 ARG H H 31 8.637 8.637 8.225 0.412 18441 2774 1 8 . 1 1 32 32 MET N N 32 120.006 120.006 119.813 0.193 18441 2775 1 8 . 1 1 32 32 MET HA H 32 4.359 4.359 4.221 0.138 18441 2776 1 8 . 1 1 32 32 MET CA C 32 58.490 58.490 58.713 -0.223 18441 2777 1 8 . 1 1 32 32 MET CB C 32 31.677 31.677 32.241 -0.564 18441 2778 1 8 . 1 1 32 32 MET H H 32 8.327 8.327 7.932 0.395 18441 2779 1 8 . 1 1 33 33 TYR N N 33 123.220 123.220 120.093 3.127 18441 2780 1 8 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.119 0.605 18441 2781 1 8 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.958 0.042 18441 2782 1 8 . 1 1 33 33 TYR CB C 33 39.687 39.687 38.034 1.653 18441 2783 1 8 . 1 1 33 33 TYR H H 33 8.054 8.054 8.100 -0.046 18441 2784 1 8 . 1 1 34 34 HIS N N 34 120.860 120.860 118.507 2.353 18441 2785 1 8 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.238 -0.462 18441 2786 1 8 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.419 1.291 18441 2787 1 8 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.268 1.124 18441 2788 1 8 . 1 1 34 34 HIS H H 34 8.548 8.548 7.959 0.589 18441 2789 1 8 . 1 1 35 35 GLN N N 35 113.582 113.582 118.331 -4.749 18441 2790 1 8 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.214 -0.214 18441 2791 1 8 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.576 0.104 18441 2792 1 8 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.687 0.863 18441 2793 1 8 . 1 1 35 35 GLN H H 35 7.542 7.542 8.371 -0.829 18441 2794 1 8 . 1 1 36 36 THR N N 36 111.117 111.117 110.517 0.600 18441 2795 1 8 . 1 1 36 36 THR HA H 36 4.214 4.214 4.304 -0.090 18441 2796 1 8 . 1 1 36 36 THR CA C 36 63.980 63.980 63.285 0.695 18441 2797 1 8 . 1 1 36 36 THR CB C 36 71.670 71.670 70.033 1.637 18441 2798 1 8 . 1 1 36 36 THR H H 36 8.569 8.569 8.349 0.220 18441 2799 1 8 . 1 1 37 37 MET N N 37 120.444 120.444 119.073 1.371 18441 2800 1 8 . 1 1 37 37 MET HA H 37 3.740 3.740 4.077 -0.337 18441 2801 1 8 . 1 1 37 37 MET CA C 37 56.430 56.430 55.894 0.536 18441 2802 1 8 . 1 1 37 37 MET CB C 37 31.399 31.399 30.132 1.267 18441 2803 1 8 . 1 1 37 37 MET H H 37 9.542 9.542 7.550 1.992 18441 2804 1 8 . 1 1 38 38 ASP N N 38 117.020 117.020 120.826 -3.806 18441 2805 1 8 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.909 0.035 18441 2806 1 8 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.205 0.271 18441 2807 1 8 . 1 1 38 38 ASP CB C 38 42.040 42.040 43.375 -1.335 18441 2808 1 8 . 1 1 38 38 ASP H H 38 7.456 7.456 7.826 -0.370 18441 2809 1 8 . 1 1 39 39 VAL N N 39 128.507 128.507 124.773 3.734 18441 2810 1 8 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.840 -0.009 18441 2811 1 8 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.551 0.289 18441 2812 1 8 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.361 1.339 18441 2813 1 8 . 1 1 39 39 VAL H H 39 8.425 8.425 8.873 -0.448 18441 2814 1 8 . 1 1 40 40 ALA N N 40 125.621 125.621 123.270 2.351 18441 2815 1 8 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.158 -0.171 18441 2816 1 8 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.162 0.698 18441 2817 1 8 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.139 0.331 18441 2818 1 8 . 1 1 40 40 ALA H H 40 7.998 7.998 8.376 -0.378 18441 2819 1 8 . 1 1 41 41 VAL N N 41 122.132 122.132 119.490 2.642 18441 2820 1 8 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.728 -0.157 18441 2821 1 8 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.957 0.723 18441 2822 1 8 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.562 1.140 18441 2823 1 8 . 1 1 41 41 VAL H H 41 7.663 7.663 8.045 -0.382 18441 2824 1 8 . 1 1 42 42 LEU N N 42 120.190 120.190 120.666 -0.476 18441 2825 1 8 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.964 0.296 18441 2826 1 8 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.167 0.823 18441 2827 1 8 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.844 -1.139 18441 2828 1 8 . 1 1 42 42 LEU H H 42 7.361 7.361 7.458 -0.097 18441 2829 1 8 . 1 1 43 43 VAL N N 43 116.802 116.802 118.025 -1.223 18441 2830 1 8 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.625 -0.208 18441 2831 1 8 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.484 2.296 18441 2832 1 8 . 1 1 43 43 VAL CB C 43 31.980 31.980 31.338 0.642 18441 2833 1 8 . 1 1 43 43 VAL H H 43 8.062 8.062 7.781 0.281 18441 2834 1 8 . 1 1 44 44 GLY N N 44 106.242 106.242 107.873 -1.631 18441 2835 1 8 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.314 1.002 18441 2836 1 8 . 1 1 44 44 GLY H H 44 7.901 7.901 8.138 -0.237 18441 2837 1 8 . 1 1 45 45 ASP N N 45 123.359 123.359 123.346 0.013 18441 2838 1 8 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.516 0.149 18441 2839 1 8 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.063 0.697 18441 2840 1 8 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.853 0.015 18441 2841 1 8 . 1 1 45 45 ASP H H 45 8.680 8.680 7.855 0.825 18441 2842 1 8 . 1 1 46 46 LEU N N 46 123.201 123.201 120.773 2.428 18441 2843 1 8 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.834 0.232 18441 2844 1 8 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.288 -0.168 18441 2845 1 8 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.827 1.172 18441 2846 1 8 . 1 1 46 46 LEU H H 46 9.018 9.018 8.657 0.361 18441 2847 1 8 . 1 1 47 47 LYS N N 47 119.196 119.196 118.706 0.490 18441 2848 1 8 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.010 -0.040 18441 2849 1 8 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.573 0.717 18441 2850 1 8 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.266 0.875 18441 2851 1 8 . 1 1 47 47 LYS H H 47 8.017 8.017 7.723 0.294 18441 2852 1 8 . 1 1 48 48 LEU N N 48 116.358 116.358 118.406 -2.048 18441 2853 1 8 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.946 0.215 18441 2854 1 8 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.820 -0.150 18441 2855 1 8 . 1 1 48 48 LEU CB C 48 42.160 42.160 41.973 0.187 18441 2856 1 8 . 1 1 48 48 LEU H H 48 7.143 7.143 7.386 -0.243 18441 2857 1 8 . 1 1 49 49 VAL N N 49 112.662 112.662 116.017 -3.355 18441 2858 1 8 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.029 0.444 18441 2859 1 8 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.802 -0.742 18441 2860 1 8 . 1 1 49 49 VAL CB C 49 35.166 35.166 33.107 2.059 18441 2861 1 8 . 1 1 49 49 VAL H H 49 7.266 7.266 7.453 -0.187 18441 2862 1 8 . 1 1 50 50 ILE N N 50 124.631 124.631 118.857 5.774 18441 2863 1 8 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.258 -0.413 18441 2864 1 8 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.243 1.347 18441 2865 1 8 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.114 -2.954 18441 2866 1 8 . 1 1 50 50 ILE H H 50 8.475 8.475 7.648 0.827 18441 2867 1 8 . 1 1 51 51 ASN N N 51 119.027 119.027 119.063 -0.036 18441 2868 1 8 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.452 0.255 18441 2869 1 8 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.106 0.342 18441 2870 1 8 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.127 0.834 18441 2871 1 8 . 1 1 51 51 ASN H H 51 7.347 7.347 7.942 -0.595 18441 2872 1 8 . 1 1 52 52 GLU N N 52 115.889 115.889 117.793 -1.904 18441 2873 1 8 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.631 0.257 18441 2874 1 8 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.699 2.086 18441 2875 1 8 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.043 -0.023 18441 2876 1 8 . 1 1 52 52 GLU H H 52 7.438 7.438 7.569 -0.131 18441 2877 1 8 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.147 0.063 18441 2878 1 8 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.358 1.602 18441 2879 1 8 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.782 1.166 18441 2880 1 8 . 1 1 54 54 SER N N 54 113.711 113.711 110.729 2.982 18441 2881 1 8 . 1 1 54 54 SER HA H 54 4.173 4.173 4.282 -0.109 18441 2882 1 8 . 1 1 54 54 SER CA C 54 61.650 61.650 60.270 1.380 18441 2883 1 8 . 1 1 54 54 SER CB C 54 62.930 62.930 63.413 -0.483 18441 2884 1 8 . 1 1 54 54 SER H H 54 8.946 8.946 8.134 0.812 18441 2885 1 8 . 1 1 55 55 ARG N N 55 116.455 116.455 120.262 -3.807 18441 2886 1 8 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.406 -0.002 18441 2887 1 8 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.974 0.336 18441 2888 1 8 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.514 3.098 18441 2889 1 8 . 1 1 55 55 ARG H H 55 7.759 7.759 7.685 0.074 18441 2890 1 8 . 1 1 56 56 LEU N N 56 121.468 121.468 122.947 -1.479 18441 2891 1 8 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.076 0.059 18441 2892 1 8 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.136 -0.236 18441 2893 1 8 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.171 1.826 18441 2894 1 8 . 1 1 56 56 LEU H H 56 7.472 7.472 8.525 -1.053 18441 2895 1 8 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.186 0.510 18441 2896 1 8 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.071 0.109 18441 2897 1 8 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.090 1.300 18441 2898 1 8 . 1 1 58 58 LEU N N 58 119.923 119.923 118.169 1.754 18441 2899 1 8 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.090 -0.040 18441 2900 1 8 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.802 0.518 18441 2901 1 8 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.425 0.603 18441 2902 1 8 . 1 1 58 58 LEU H H 58 8.734 8.734 7.663 1.071 18441 2903 1 8 . 1 1 59 59 PHE N N 59 116.632 116.632 119.975 -3.343 18441 2904 1 8 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.281 0.198 18441 2905 1 8 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.279 1.800 18441 2906 1 8 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.673 0.179 18441 2907 1 8 . 1 1 59 59 PHE H H 59 8.312 8.312 9.013 -0.701 18441 2908 1 8 . 1 1 60 60 ASP N N 60 120.603 120.603 117.483 3.120 18441 2909 1 8 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.445 0.226 18441 2910 1 8 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.619 1.251 18441 2911 1 8 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.852 0.689 18441 2912 1 8 . 1 1 60 60 ASP H H 60 7.462 7.462 7.834 -0.372 18441 2913 1 8 . 1 1 61 61 ALA N N 61 122.470 122.470 122.193 0.277 18441 2914 1 8 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.857 0.404 18441 2915 1 8 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.552 -0.006 18441 2916 1 8 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.860 0.020 18441 2917 1 8 . 1 1 61 61 ALA H H 61 7.664 7.664 7.472 0.192 18441 2918 1 8 . 1 1 62 62 ILE N N 62 115.525 115.525 118.168 -2.643 18441 2919 1 8 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.151 0.531 18441 2920 1 8 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.222 0.198 18441 2921 1 8 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.919 2.236 18441 2922 1 8 . 1 1 62 62 ILE H H 62 7.653 7.653 7.818 -0.165 18441 2923 1 8 . 1 1 63 63 ARG N N 63 121.016 121.016 120.625 0.391 18441 2924 1 8 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.709 -0.235 18441 2925 1 8 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.490 0.880 18441 2926 1 8 . 1 1 63 63 ARG H H 63 6.917 6.917 7.607 -0.690 18441 2927 1 8 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.185 0.126 18441 2928 1 8 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.214 0.526 18441 2929 1 8 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.099 1.088 18441 2930 1 8 . 1 1 65 65 LEU N N 65 114.713 114.713 116.079 -1.366 18441 2931 1 8 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.098 -0.178 18441 2932 1 8 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.006 -0.346 18441 2933 1 8 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.777 0.331 18441 2934 1 8 . 1 1 65 65 LEU H H 65 8.074 8.074 7.462 0.612 18441 2935 1 8 . 1 1 66 66 ILE N N 66 120.129 120.129 119.053 1.076 18441 2936 1 8 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.113 0.192 18441 2937 1 8 . 1 1 66 66 ILE CA C 66 56.760 56.760 60.610 -3.850 18441 2938 1 8 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.507 -0.863 18441 2939 1 8 . 1 1 66 66 ILE H H 66 7.398 7.398 7.271 0.127 18441 2940 1 8 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.342 -0.037 18441 2941 1 8 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.823 0.817 18441 2942 1 8 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.354 0.935 18441 2943 1 8 . 1 1 68 68 LEU N N 68 124.673 124.673 122.403 2.270 18441 2944 1 8 . 1 1 68 68 LEU HA H 68 3.850 3.850 4.113 -0.263 18441 2945 1 8 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.089 0.531 18441 2946 1 8 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.897 0.570 18441 2947 1 8 . 1 1 68 68 LEU H H 68 8.471 8.471 8.380 0.091 18441 2948 1 8 . 1 1 69 69 LYS N N 69 115.247 115.247 118.390 -3.143 18441 2949 1 8 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.091 0.078 18441 2950 1 8 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.462 -0.442 18441 2951 1 8 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.541 0.965 18441 2952 1 8 . 1 1 69 69 LYS H H 69 8.536 8.536 8.654 -0.118 18441 2953 1 8 . 1 1 70 70 HIS N N 70 118.849 118.849 117.592 1.257 18441 2954 1 8 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.373 0.852 18441 2955 1 8 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.622 -3.733 18441 2956 1 8 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.578 5.460 18441 2957 1 8 . 1 1 70 70 HIS H H 70 8.060 8.060 8.563 -0.503 18441 2958 1 8 . 1 1 71 71 GLN N N 71 122.130 122.130 119.195 2.935 18441 2959 1 8 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.051 -0.352 18441 2960 1 8 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.458 2.232 18441 2961 1 8 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.735 0.515 18441 2962 1 8 . 1 1 71 71 GLN H H 71 7.732 7.732 8.480 -0.748 18441 2963 1 8 . 1 1 72 72 VAL N N 72 119.182 119.182 119.537 -0.355 18441 2964 1 8 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.722 0.086 18441 2965 1 8 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.190 1.030 18441 2966 1 8 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.024 0.790 18441 2967 1 8 . 1 1 72 72 VAL H H 72 8.203 8.203 7.733 0.470 18441 2968 1 8 . 1 1 73 73 GLU N N 73 121.878 121.878 119.454 2.424 18441 2969 1 8 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.079 -0.101 18441 2970 1 8 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.074 1.026 18441 2971 1 8 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.619 1.041 18441 2972 1 8 . 1 1 73 73 GLU H H 73 8.136 8.136 7.941 0.195 18441 2973 1 8 . 1 1 74 74 TYR N N 74 119.780 119.780 121.720 -1.940 18441 2974 1 8 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.222 -0.545 18441 2975 1 8 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.014 2.296 18441 2976 1 8 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.373 1.647 18441 2977 1 8 . 1 1 74 74 TYR H H 74 8.491 8.491 8.270 0.221 18441 2978 1 8 . 1 1 75 75 ASP N N 75 120.231 120.231 119.415 0.816 18441 2979 1 8 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.132 0.011 18441 2980 1 8 . 1 1 75 75 ASP CA C 75 57.560 57.560 58.031 -0.471 18441 2981 1 8 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.544 0.034 18441 2982 1 8 . 1 1 75 75 ASP H H 75 8.566 8.566 8.279 0.287 18441 2983 1 8 . 1 1 76 76 GLN N N 76 118.324 118.324 118.346 -0.022 18441 2984 1 8 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.027 0.029 18441 2985 1 8 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.595 -0.165 18441 2986 1 8 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.061 0.369 18441 2987 1 8 . 1 1 76 76 GLN H H 76 7.844 7.844 7.652 0.192 18441 2988 1 8 . 1 1 77 77 LEU N N 77 117.932 117.932 116.745 1.187 18441 2989 1 8 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.078 0.119 18441 2990 1 8 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.968 -0.058 18441 2991 1 8 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.534 2.870 18441 2992 1 8 . 1 1 77 77 LEU H H 77 7.665 7.665 7.646 0.019 18441 2993 1 8 . 1 1 78 78 THR N N 78 110.323 110.323 112.805 -2.482 18441 2994 1 8 . 1 1 78 78 THR HA H 78 3.709 3.709 4.230 -0.521 18441 2995 1 8 . 1 1 78 78 THR CA C 78 59.750 59.750 61.091 -1.341 18441 2996 1 8 . 1 1 78 78 THR CB C 78 69.110 69.110 68.863 0.247 18441 2997 1 8 . 1 1 78 78 THR H H 78 7.130 7.130 7.412 -0.282 18441 2998 1 8 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.486 -0.239 18441 2999 1 8 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.575 1.105 18441 3000 1 8 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.681 -0.290 18441 3001 1 9 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.722 -0.192 18441 3002 1 9 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.639 0.951 18441 3003 1 9 . 1 1 2 2 ASP CB C 2 41.693 41.693 40.878 0.815 18441 3004 1 9 . 1 1 3 3 ARG N N 3 121.498 121.498 120.977 0.521 18441 3005 1 9 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.306 -0.065 18441 3006 1 9 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.628 0.042 18441 3007 1 9 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.581 -0.071 18441 3008 1 9 . 1 1 3 3 ARG H H 3 8.382 8.382 8.191 0.191 18441 3009 1 9 . 1 1 4 4 LYS N N 4 122.257 122.257 121.003 1.254 18441 3010 1 9 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.066 -0.008 18441 3011 1 9 . 1 1 4 4 LYS CA C 4 59.710 59.710 58.976 0.734 18441 3012 1 9 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.765 1.512 18441 3013 1 9 . 1 1 4 4 LYS H H 4 8.226 8.226 8.307 -0.081 18441 3014 1 9 . 1 1 5 5 VAL N N 5 120.494 120.494 118.185 2.309 18441 3015 1 9 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.676 0.045 18441 3016 1 9 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.013 0.637 18441 3017 1 9 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.443 0.631 18441 3018 1 9 . 1 1 5 5 VAL H H 5 8.109 8.109 8.115 -0.006 18441 3019 1 9 . 1 1 6 6 ALA N N 6 123.149 123.149 122.643 0.506 18441 3020 1 9 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.288 -0.253 18441 3021 1 9 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.261 0.629 18441 3022 1 9 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.253 1.007 18441 3023 1 9 . 1 1 6 6 ALA H H 6 8.374 8.374 7.463 0.911 18441 3024 1 9 . 1 1 7 7 ARG N N 7 119.587 119.587 118.134 1.453 18441 3025 1 9 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.831 0.170 18441 3026 1 9 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.229 0.541 18441 3027 1 9 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.008 0.762 18441 3028 1 9 . 1 1 7 7 ARG H H 7 7.992 7.992 7.789 0.203 18441 3029 1 9 . 1 1 8 8 GLU N N 8 119.745 119.745 120.109 -0.364 18441 3030 1 9 . 1 1 8 8 GLU HA H 8 4.058 4.058 3.930 0.128 18441 3031 1 9 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.927 -0.157 18441 3032 1 9 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.609 0.341 18441 3033 1 9 . 1 1 8 8 GLU H H 8 8.165 8.165 8.276 -0.111 18441 3034 1 9 . 1 1 9 9 PHE N N 9 121.436 121.436 119.628 1.808 18441 3035 1 9 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.421 -0.294 18441 3036 1 9 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.960 3.060 18441 3037 1 9 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.663 0.960 18441 3038 1 9 . 1 1 9 9 PHE H H 9 8.180 8.180 8.252 -0.072 18441 3039 1 9 . 1 1 10 10 ARG N N 10 119.028 119.028 119.655 -0.627 18441 3040 1 9 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.520 0.341 18441 3041 1 9 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.408 1.172 18441 3042 1 9 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.082 1.238 18441 3043 1 9 . 1 1 10 10 ARG H H 10 7.910 7.910 7.938 -0.028 18441 3044 1 9 . 1 1 11 11 HIS N N 11 116.563 116.563 117.766 -1.203 18441 3045 1 9 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.251 0.205 18441 3046 1 9 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.761 0.419 18441 3047 1 9 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.771 0.259 18441 3048 1 9 . 1 1 11 11 HIS H H 11 8.001 8.001 8.223 -0.222 18441 3049 1 9 . 1 1 12 12 LYS N N 12 120.773 120.773 119.810 0.963 18441 3050 1 9 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.090 -0.082 18441 3051 1 9 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.561 0.419 18441 3052 1 9 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.504 0.189 18441 3053 1 9 . 1 1 12 12 LYS H H 12 7.796 7.796 7.768 0.028 18441 3054 1 9 . 1 1 13 13 VAL N N 13 120.125 120.125 120.163 -0.038 18441 3055 1 9 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.565 -0.454 18441 3056 1 9 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.433 0.747 18441 3057 1 9 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.800 0.340 18441 3058 1 9 . 1 1 13 13 VAL H H 13 7.821 7.821 7.904 -0.083 18441 3059 1 9 . 1 1 14 14 ASP N N 14 117.462 117.462 119.415 -1.953 18441 3060 1 9 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.350 -0.088 18441 3061 1 9 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.114 0.286 18441 3062 1 9 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.828 0.486 18441 3063 1 9 . 1 1 14 14 ASP H H 14 8.276 8.276 7.846 0.430 18441 3064 1 9 . 1 1 15 15 PHE N N 15 117.914 117.914 120.525 -2.611 18441 3065 1 9 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.326 0.036 18441 3066 1 9 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.542 -0.352 18441 3067 1 9 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.590 1.108 18441 3068 1 9 . 1 1 15 15 PHE H H 15 7.664 7.664 7.797 -0.133 18441 3069 1 9 . 1 1 16 16 LEU N N 16 116.737 116.737 117.450 -0.713 18441 3070 1 9 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.337 -0.103 18441 3071 1 9 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.647 1.773 18441 3072 1 9 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.776 2.302 18441 3073 1 9 . 1 1 16 16 LEU H H 16 7.658 7.658 7.821 -0.163 18441 3074 1 9 . 1 1 17 17 ILE N N 17 120.533 120.533 117.863 2.670 18441 3075 1 9 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.361 -0.253 18441 3076 1 9 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.263 1.277 18441 3077 1 9 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.397 0.960 18441 3078 1 9 . 1 1 17 17 ILE H H 17 8.336 8.336 7.103 1.233 18441 3079 1 9 . 1 1 18 18 GLU N N 18 124.531 124.531 121.441 3.090 18441 3080 1 9 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.187 0.023 18441 3081 1 9 . 1 1 18 18 GLU CA C 18 58.600 58.600 57.720 0.880 18441 3082 1 9 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.503 1.507 18441 3083 1 9 . 1 1 18 18 GLU H H 18 8.276 8.276 8.609 -0.333 18441 3084 1 9 . 1 1 19 19 ASN N N 19 117.630 117.630 117.612 0.018 18441 3085 1 9 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.585 0.220 18441 3086 1 9 . 1 1 19 19 ASN CA C 19 53.738 53.738 55.253 -1.515 18441 3087 1 9 . 1 1 19 19 ASN CB C 19 41.178 41.178 38.624 2.554 18441 3088 1 9 . 1 1 19 19 ASN H H 19 7.700 7.700 8.167 -0.467 18441 3089 1 9 . 1 1 20 20 ASP N N 20 127.428 127.428 118.010 9.418 18441 3090 1 9 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.111 0.138 18441 3091 1 9 . 1 1 20 20 ASP CA C 20 58.850 58.850 57.837 1.013 18441 3092 1 9 . 1 1 20 20 ASP CB C 20 41.314 41.314 39.626 1.688 18441 3093 1 9 . 1 1 20 20 ASP H H 20 8.998 8.998 7.754 1.244 18441 3094 1 9 . 1 1 21 21 ALA N N 21 122.271 122.271 121.342 0.929 18441 3095 1 9 . 1 1 21 21 ALA HA H 21 4.260 4.260 3.971 0.289 18441 3096 1 9 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.356 0.644 18441 3097 1 9 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.525 0.125 18441 3098 1 9 . 1 1 21 21 ALA H H 21 8.346 8.346 8.121 0.225 18441 3099 1 9 . 1 1 22 22 GLU N N 22 118.716 118.716 117.649 1.067 18441 3100 1 9 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.957 0.157 18441 3101 1 9 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.854 0.506 18441 3102 1 9 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.072 2.700 18441 3103 1 9 . 1 1 22 22 GLU H H 22 7.724 7.724 8.899 -1.175 18441 3104 1 9 . 1 1 23 23 LYS N N 23 121.088 121.088 118.293 2.795 18441 3105 1 9 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.777 0.034 18441 3106 1 9 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.060 2.610 18441 3107 1 9 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.206 0.864 18441 3108 1 9 . 1 1 23 23 LYS H H 23 7.618 7.618 7.713 -0.095 18441 3109 1 9 . 1 1 24 24 ASP N N 24 119.010 119.010 120.527 -1.517 18441 3110 1 9 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.552 -0.063 18441 3111 1 9 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.149 1.361 18441 3112 1 9 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.741 0.096 18441 3113 1 9 . 1 1 24 24 ASP H H 24 8.424 8.424 7.823 0.601 18441 3114 1 9 . 1 1 25 25 TYR N N 25 120.417 120.417 121.597 -1.180 18441 3115 1 9 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.140 0.103 18441 3116 1 9 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.883 0.307 18441 3117 1 9 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.525 -0.026 18441 3118 1 9 . 1 1 25 25 TYR H H 25 7.676 7.676 8.270 -0.594 18441 3119 1 9 . 1 1 26 26 LEU N N 26 120.960 120.960 119.631 1.329 18441 3120 1 9 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.854 -0.253 18441 3121 1 9 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.946 0.494 18441 3122 1 9 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.739 0.412 18441 3123 1 9 . 1 1 26 26 LEU H H 26 7.965 7.965 7.917 0.048 18441 3124 1 9 . 1 1 27 27 TYR N N 27 116.521 116.521 117.869 -1.348 18441 3125 1 9 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.088 -0.312 18441 3126 1 9 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.591 4.819 18441 3127 1 9 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.074 1.329 18441 3128 1 9 . 1 1 27 27 TYR H H 27 8.097 8.097 7.540 0.557 18441 3129 1 9 . 1 1 28 28 ASP N N 28 123.384 123.384 120.111 3.273 18441 3130 1 9 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.399 0.077 18441 3131 1 9 . 1 1 28 28 ASP CA C 28 58.540 58.540 58.133 0.407 18441 3132 1 9 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.609 0.785 18441 3133 1 9 . 1 1 28 28 ASP H H 28 8.355 8.355 7.832 0.523 18441 3134 1 9 . 1 1 29 29 VAL N N 29 121.272 121.272 120.281 0.991 18441 3135 1 9 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.668 0.045 18441 3136 1 9 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.708 -0.058 18441 3137 1 9 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.812 0.105 18441 3138 1 9 . 1 1 29 29 VAL H H 29 8.252 8.252 7.610 0.642 18441 3139 1 9 . 1 1 30 30 LEU N N 30 122.443 122.443 120.534 1.909 18441 3140 1 9 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.150 -0.107 18441 3141 1 9 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.453 0.427 18441 3142 1 9 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.721 0.560 18441 3143 1 9 . 1 1 30 30 LEU H H 30 7.987 7.987 7.956 0.031 18441 3144 1 9 . 1 1 31 31 ARG N N 31 122.386 122.386 118.875 3.511 18441 3145 1 9 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.032 -0.016 18441 3146 1 9 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.747 0.633 18441 3147 1 9 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.330 0.070 18441 3148 1 9 . 1 1 31 31 ARG H H 31 8.637 8.637 8.399 0.238 18441 3149 1 9 . 1 1 32 32 MET N N 32 120.006 120.006 119.703 0.303 18441 3150 1 9 . 1 1 32 32 MET HA H 32 4.359 4.359 4.233 0.126 18441 3151 1 9 . 1 1 32 32 MET CA C 32 58.490 58.490 57.814 0.676 18441 3152 1 9 . 1 1 32 32 MET CB C 32 31.677 31.677 32.145 -0.468 18441 3153 1 9 . 1 1 32 32 MET H H 32 8.327 8.327 8.157 0.170 18441 3154 1 9 . 1 1 33 33 TYR N N 33 123.220 123.220 120.803 2.417 18441 3155 1 9 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.239 0.485 18441 3156 1 9 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.038 0.962 18441 3157 1 9 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.871 1.816 18441 3158 1 9 . 1 1 33 33 TYR H H 33 8.054 8.054 8.370 -0.316 18441 3159 1 9 . 1 1 34 34 HIS N N 34 120.860 120.860 118.019 2.841 18441 3160 1 9 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.087 -0.311 18441 3161 1 9 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.541 1.169 18441 3162 1 9 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.180 1.212 18441 3163 1 9 . 1 1 34 34 HIS H H 34 8.548 8.548 8.060 0.488 18441 3164 1 9 . 1 1 35 35 GLN N N 35 113.582 113.582 118.541 -4.959 18441 3165 1 9 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.210 -0.210 18441 3166 1 9 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.334 0.346 18441 3167 1 9 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.474 1.076 18441 3168 1 9 . 1 1 35 35 GLN H H 35 7.542 7.542 8.294 -0.752 18441 3169 1 9 . 1 1 36 36 THR N N 36 111.117 111.117 111.229 -0.112 18441 3170 1 9 . 1 1 36 36 THR HA H 36 4.214 4.214 4.214 -0.000 18441 3171 1 9 . 1 1 36 36 THR CA C 36 63.980 63.980 63.386 0.594 18441 3172 1 9 . 1 1 36 36 THR CB C 36 71.670 71.670 69.670 2.000 18441 3173 1 9 . 1 1 36 36 THR H H 36 8.569 8.569 8.460 0.109 18441 3174 1 9 . 1 1 37 37 MET N N 37 120.444 120.444 118.502 1.942 18441 3175 1 9 . 1 1 37 37 MET HA H 37 3.740 3.740 4.249 -0.509 18441 3176 1 9 . 1 1 37 37 MET CA C 37 56.430 56.430 56.171 0.259 18441 3177 1 9 . 1 1 37 37 MET CB C 37 31.399 31.399 30.565 0.834 18441 3178 1 9 . 1 1 37 37 MET H H 37 9.542 9.542 7.630 1.912 18441 3179 1 9 . 1 1 38 38 ASP N N 38 117.020 117.020 120.796 -3.776 18441 3180 1 9 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.929 0.015 18441 3181 1 9 . 1 1 38 38 ASP CA C 38 53.476 53.476 54.005 -0.529 18441 3182 1 9 . 1 1 38 38 ASP CB C 38 42.040 42.040 41.584 0.456 18441 3183 1 9 . 1 1 38 38 ASP H H 38 7.456 7.456 7.944 -0.488 18441 3184 1 9 . 1 1 39 39 VAL N N 39 128.507 128.507 124.149 4.358 18441 3185 1 9 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.581 0.250 18441 3186 1 9 . 1 1 39 39 VAL CA C 39 64.840 64.840 65.189 -0.349 18441 3187 1 9 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.866 0.834 18441 3188 1 9 . 1 1 39 39 VAL H H 39 8.425 8.425 8.693 -0.268 18441 3189 1 9 . 1 1 40 40 ALA N N 40 125.621 125.621 122.149 3.472 18441 3190 1 9 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.059 -0.072 18441 3191 1 9 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.024 0.836 18441 3192 1 9 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.391 0.079 18441 3193 1 9 . 1 1 40 40 ALA H H 40 7.998 7.998 7.930 0.068 18441 3194 1 9 . 1 1 41 41 VAL N N 41 122.132 122.132 118.526 3.606 18441 3195 1 9 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.732 -0.161 18441 3196 1 9 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.755 0.925 18441 3197 1 9 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.852 0.851 18441 3198 1 9 . 1 1 41 41 VAL H H 41 7.663 7.663 7.651 0.012 18441 3199 1 9 . 1 1 42 42 LEU N N 42 120.190 120.190 119.151 1.039 18441 3200 1 9 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.257 0.003 18441 3201 1 9 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.324 0.666 18441 3202 1 9 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.219 -0.514 18441 3203 1 9 . 1 1 42 42 LEU H H 42 7.361 7.361 7.424 -0.063 18441 3204 1 9 . 1 1 43 43 VAL N N 43 116.802 116.802 119.387 -2.585 18441 3205 1 9 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.771 -0.354 18441 3206 1 9 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.888 1.892 18441 3207 1 9 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.866 1.114 18441 3208 1 9 . 1 1 43 43 VAL H H 43 8.062 8.062 7.827 0.235 18441 3209 1 9 . 1 1 44 44 GLY N N 44 106.242 106.242 108.303 -2.061 18441 3210 1 9 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.281 1.035 18441 3211 1 9 . 1 1 44 44 GLY H H 44 7.901 7.901 7.946 -0.045 18441 3212 1 9 . 1 1 45 45 ASP N N 45 123.359 123.359 123.715 -0.356 18441 3213 1 9 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.542 0.123 18441 3214 1 9 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.472 0.288 18441 3215 1 9 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.681 0.187 18441 3216 1 9 . 1 1 45 45 ASP H H 45 8.680 8.680 7.862 0.818 18441 3217 1 9 . 1 1 46 46 LEU N N 46 123.201 123.201 120.217 2.984 18441 3218 1 9 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.786 0.280 18441 3219 1 9 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.800 0.320 18441 3220 1 9 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.600 1.399 18441 3221 1 9 . 1 1 46 46 LEU H H 46 9.018 9.018 8.357 0.661 18441 3222 1 9 . 1 1 47 47 LYS N N 47 119.196 119.196 118.768 0.428 18441 3223 1 9 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.960 0.010 18441 3224 1 9 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.388 0.902 18441 3225 1 9 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.227 0.914 18441 3226 1 9 . 1 1 47 47 LYS H H 47 8.017 8.017 7.485 0.532 18441 3227 1 9 . 1 1 48 48 LEU N N 48 116.358 116.358 119.219 -2.861 18441 3228 1 9 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.992 0.169 18441 3229 1 9 . 1 1 48 48 LEU CA C 48 57.670 57.670 58.155 -0.485 18441 3230 1 9 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.204 -0.044 18441 3231 1 9 . 1 1 48 48 LEU H H 48 7.143 7.143 7.595 -0.452 18441 3232 1 9 . 1 1 49 49 VAL N N 49 112.662 112.662 114.505 -1.843 18441 3233 1 9 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.966 0.507 18441 3234 1 9 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.424 -0.364 18441 3235 1 9 . 1 1 49 49 VAL CB C 49 35.166 35.166 33.137 2.029 18441 3236 1 9 . 1 1 49 49 VAL H H 49 7.266 7.266 7.462 -0.196 18441 3237 1 9 . 1 1 50 50 ILE N N 50 124.631 124.631 118.422 6.209 18441 3238 1 9 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.160 -0.315 18441 3239 1 9 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.900 0.690 18441 3240 1 9 . 1 1 50 50 ILE CB C 50 35.161 35.161 37.718 -2.557 18441 3241 1 9 . 1 1 50 50 ILE H H 50 8.475 8.475 7.720 0.755 18441 3242 1 9 . 1 1 51 51 ASN N N 51 119.027 119.027 119.262 -0.235 18441 3243 1 9 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.678 0.029 18441 3244 1 9 . 1 1 51 51 ASN CA C 51 53.448 53.448 54.066 -0.618 18441 3245 1 9 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.574 0.387 18441 3246 1 9 . 1 1 51 51 ASN H H 51 7.347 7.347 8.021 -0.674 18441 3247 1 9 . 1 1 52 52 GLU N N 52 115.889 115.889 118.319 -2.430 18441 3248 1 9 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.828 0.060 18441 3249 1 9 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.123 1.663 18441 3250 1 9 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.703 0.317 18441 3251 1 9 . 1 1 52 52 GLU H H 52 7.438 7.438 7.625 -0.187 18441 3252 1 9 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.244 -0.034 18441 3253 1 9 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.171 1.789 18441 3254 1 9 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.878 1.070 18441 3255 1 9 . 1 1 54 54 SER N N 54 113.711 113.711 111.878 1.833 18441 3256 1 9 . 1 1 54 54 SER HA H 54 4.173 4.173 4.339 -0.166 18441 3257 1 9 . 1 1 54 54 SER CA C 54 61.650 61.650 60.183 1.467 18441 3258 1 9 . 1 1 54 54 SER CB C 54 62.930 62.930 63.211 -0.281 18441 3259 1 9 . 1 1 54 54 SER H H 54 8.946 8.946 8.151 0.795 18441 3260 1 9 . 1 1 55 55 ARG N N 55 116.455 116.455 120.032 -3.577 18441 3261 1 9 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.420 -0.016 18441 3262 1 9 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.646 0.664 18441 3263 1 9 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.545 3.067 18441 3264 1 9 . 1 1 55 55 ARG H H 55 7.759 7.759 7.627 0.132 18441 3265 1 9 . 1 1 56 56 LEU N N 56 121.468 121.468 123.133 -1.665 18441 3266 1 9 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.361 -0.226 18441 3267 1 9 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.953 -0.053 18441 3268 1 9 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.470 1.527 18441 3269 1 9 . 1 1 56 56 LEU H H 56 7.472 7.472 8.294 -0.822 18441 3270 1 9 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.220 0.476 18441 3271 1 9 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.488 -0.308 18441 3272 1 9 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.215 1.175 18441 3273 1 9 . 1 1 58 58 LEU N N 58 119.923 119.923 117.571 2.352 18441 3274 1 9 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.138 -0.088 18441 3275 1 9 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.596 0.724 18441 3276 1 9 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.604 0.424 18441 3277 1 9 . 1 1 58 58 LEU H H 58 8.734 8.734 7.617 1.117 18441 3278 1 9 . 1 1 59 59 PHE N N 59 116.632 116.632 120.320 -3.688 18441 3279 1 9 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.385 0.094 18441 3280 1 9 . 1 1 59 59 PHE CA C 59 63.080 63.080 59.738 3.342 18441 3281 1 9 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.907 -0.055 18441 3282 1 9 . 1 1 59 59 PHE H H 59 8.312 8.312 8.808 -0.496 18441 3283 1 9 . 1 1 60 60 ASP N N 60 120.603 120.603 118.709 1.894 18441 3284 1 9 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.517 0.154 18441 3285 1 9 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.751 1.119 18441 3286 1 9 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.099 0.443 18441 3287 1 9 . 1 1 60 60 ASP H H 60 7.462 7.462 7.838 -0.376 18441 3288 1 9 . 1 1 61 61 ALA N N 61 122.470 122.470 122.769 -0.299 18441 3289 1 9 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.095 0.166 18441 3290 1 9 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.304 0.242 18441 3291 1 9 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.941 -0.061 18441 3292 1 9 . 1 1 61 61 ALA H H 61 7.664 7.664 7.743 -0.079 18441 3293 1 9 . 1 1 62 62 ILE N N 62 115.525 115.525 117.877 -2.352 18441 3294 1 9 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.149 0.533 18441 3295 1 9 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.342 0.078 18441 3296 1 9 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.076 2.079 18441 3297 1 9 . 1 1 62 62 ILE H H 62 7.653 7.653 7.502 0.151 18441 3298 1 9 . 1 1 63 63 ARG N N 63 121.016 121.016 120.603 0.413 18441 3299 1 9 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.652 -0.178 18441 3300 1 9 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.169 1.201 18441 3301 1 9 . 1 1 63 63 ARG H H 63 6.917 6.917 7.523 -0.606 18441 3302 1 9 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.149 0.162 18441 3303 1 9 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.248 0.492 18441 3304 1 9 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.025 1.162 18441 3305 1 9 . 1 1 65 65 LEU N N 65 114.713 114.713 116.770 -2.057 18441 3306 1 9 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.072 -0.152 18441 3307 1 9 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.038 -0.378 18441 3308 1 9 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.839 0.269 18441 3309 1 9 . 1 1 65 65 LEU H H 65 8.074 8.074 7.329 0.745 18441 3310 1 9 . 1 1 66 66 ILE N N 66 120.129 120.129 118.930 1.199 18441 3311 1 9 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.093 0.212 18441 3312 1 9 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.710 -4.950 18441 3313 1 9 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.353 -0.709 18441 3314 1 9 . 1 1 66 66 ILE H H 66 7.398 7.398 7.403 -0.005 18441 3315 1 9 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.318 -0.013 18441 3316 1 9 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.791 0.849 18441 3317 1 9 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.284 1.005 18441 3318 1 9 . 1 1 68 68 LEU N N 68 124.673 124.673 122.647 2.026 18441 3319 1 9 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.887 -0.037 18441 3320 1 9 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.582 0.038 18441 3321 1 9 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.732 0.735 18441 3322 1 9 . 1 1 68 68 LEU H H 68 8.471 8.471 8.334 0.137 18441 3323 1 9 . 1 1 69 69 LYS N N 69 115.247 115.247 119.290 -4.043 18441 3324 1 9 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.004 0.165 18441 3325 1 9 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.215 -0.195 18441 3326 1 9 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.982 0.524 18441 3327 1 9 . 1 1 69 69 LYS H H 69 8.536 8.536 8.404 0.132 18441 3328 1 9 . 1 1 70 70 HIS N N 70 118.849 118.849 117.261 1.588 18441 3329 1 9 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.359 0.866 18441 3330 1 9 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.398 -3.509 18441 3331 1 9 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.567 5.471 18441 3332 1 9 . 1 1 70 70 HIS H H 70 8.060 8.060 8.420 -0.360 18441 3333 1 9 . 1 1 71 71 GLN N N 71 122.130 122.130 119.410 2.720 18441 3334 1 9 . 1 1 71 71 GLN HA H 71 3.699 3.699 3.966 -0.267 18441 3335 1 9 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.423 2.267 18441 3336 1 9 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.734 0.516 18441 3337 1 9 . 1 1 71 71 GLN H H 71 7.732 7.732 8.399 -0.667 18441 3338 1 9 . 1 1 72 72 VAL N N 72 119.182 119.182 119.717 -0.535 18441 3339 1 9 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.565 0.243 18441 3340 1 9 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.506 0.714 18441 3341 1 9 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.576 0.238 18441 3342 1 9 . 1 1 72 72 VAL H H 72 8.203 8.203 7.786 0.417 18441 3343 1 9 . 1 1 73 73 GLU N N 73 121.878 121.878 119.662 2.216 18441 3344 1 9 . 1 1 73 73 GLU HA H 73 3.978 3.978 3.989 -0.011 18441 3345 1 9 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.182 0.917 18441 3346 1 9 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.329 1.331 18441 3347 1 9 . 1 1 73 73 GLU H H 73 8.136 8.136 7.862 0.274 18441 3348 1 9 . 1 1 74 74 TYR N N 74 119.780 119.780 120.521 -0.741 18441 3349 1 9 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.063 -0.386 18441 3350 1 9 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.964 1.346 18441 3351 1 9 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.343 1.677 18441 3352 1 9 . 1 1 74 74 TYR H H 74 8.491 8.491 8.109 0.382 18441 3353 1 9 . 1 1 75 75 ASP N N 75 120.231 120.231 118.231 2.000 18441 3354 1 9 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.272 -0.129 18441 3355 1 9 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.300 0.261 18441 3356 1 9 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.692 -0.114 18441 3357 1 9 . 1 1 75 75 ASP H H 75 8.566 8.566 7.877 0.689 18441 3358 1 9 . 1 1 76 76 GLN N N 76 118.324 118.324 117.875 0.449 18441 3359 1 9 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.078 -0.022 18441 3360 1 9 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.134 0.296 18441 3361 1 9 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.887 0.543 18441 3362 1 9 . 1 1 76 76 GLN H H 76 7.844 7.844 7.812 0.032 18441 3363 1 9 . 1 1 77 77 LEU N N 77 117.932 117.932 117.572 0.360 18441 3364 1 9 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.231 -0.034 18441 3365 1 9 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.083 -0.173 18441 3366 1 9 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.097 3.307 18441 3367 1 9 . 1 1 77 77 LEU H H 77 7.665 7.665 7.692 -0.027 18441 3368 1 9 . 1 1 78 78 THR N N 78 110.323 110.323 112.464 -2.141 18441 3369 1 9 . 1 1 78 78 THR HA H 78 3.709 3.709 3.906 -0.197 18441 3370 1 9 . 1 1 78 78 THR CA C 78 59.750 59.750 66.986 -7.236 18441 3371 1 9 . 1 1 78 78 THR CB C 78 69.110 69.110 66.547 2.563 18441 3372 1 9 . 1 1 78 78 THR H H 78 7.130 7.130 7.734 -0.604 18441 3373 1 9 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.305 -0.059 18441 3374 1 9 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.727 -0.047 18441 3375 1 9 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.516 0.875 18441 3376 1 10 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.825 -0.295 18441 3377 1 10 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.688 1.902 18441 3378 1 10 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.000 0.693 18441 3379 1 10 . 1 1 3 3 ARG N N 3 121.498 121.498 120.172 1.326 18441 3380 1 10 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.266 -0.025 18441 3381 1 10 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.548 0.122 18441 3382 1 10 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.441 0.069 18441 3383 1 10 . 1 1 3 3 ARG H H 3 8.382 8.382 8.330 0.052 18441 3384 1 10 . 1 1 4 4 LYS N N 4 122.257 122.257 121.231 1.026 18441 3385 1 10 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.118 -0.060 18441 3386 1 10 . 1 1 4 4 LYS CA C 4 59.710 59.710 58.822 0.888 18441 3387 1 10 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.599 1.677 18441 3388 1 10 . 1 1 4 4 LYS H H 4 8.226 8.226 8.471 -0.245 18441 3389 1 10 . 1 1 5 5 VAL N N 5 120.494 120.494 119.084 1.410 18441 3390 1 10 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.734 -0.013 18441 3391 1 10 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.651 0.999 18441 3392 1 10 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.267 0.807 18441 3393 1 10 . 1 1 5 5 VAL H H 5 8.109 8.109 8.094 0.015 18441 3394 1 10 . 1 1 6 6 ALA N N 6 123.149 123.149 122.885 0.264 18441 3395 1 10 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.261 -0.226 18441 3396 1 10 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.214 0.676 18441 3397 1 10 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.295 0.965 18441 3398 1 10 . 1 1 6 6 ALA H H 6 8.374 8.374 7.635 0.739 18441 3399 1 10 . 1 1 7 7 ARG N N 7 119.587 119.587 118.563 1.024 18441 3400 1 10 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.920 0.081 18441 3401 1 10 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.373 0.397 18441 3402 1 10 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.174 0.596 18441 3403 1 10 . 1 1 7 7 ARG H H 7 7.992 7.992 7.717 0.275 18441 3404 1 10 . 1 1 8 8 GLU N N 8 119.745 119.745 120.327 -0.582 18441 3405 1 10 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.189 -0.131 18441 3406 1 10 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.496 0.274 18441 3407 1 10 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.696 0.254 18441 3408 1 10 . 1 1 8 8 GLU H H 8 8.165 8.165 8.351 -0.186 18441 3409 1 10 . 1 1 9 9 PHE N N 9 121.436 121.436 119.870 1.566 18441 3410 1 10 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.422 -0.295 18441 3411 1 10 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.031 2.989 18441 3412 1 10 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.603 1.020 18441 3413 1 10 . 1 1 9 9 PHE H H 9 8.180 8.180 8.358 -0.178 18441 3414 1 10 . 1 1 10 10 ARG N N 10 119.028 119.028 120.038 -1.010 18441 3415 1 10 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.486 0.374 18441 3416 1 10 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.180 0.400 18441 3417 1 10 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.318 1.002 18441 3418 1 10 . 1 1 10 10 ARG H H 10 7.910 7.910 7.953 -0.043 18441 3419 1 10 . 1 1 11 11 HIS N N 11 116.563 116.563 118.883 -2.320 18441 3420 1 10 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.250 0.206 18441 3421 1 10 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.021 0.159 18441 3422 1 10 . 1 1 11 11 HIS CB C 11 30.030 30.030 30.110 -0.080 18441 3423 1 10 . 1 1 11 11 HIS H H 11 8.001 8.001 8.160 -0.159 18441 3424 1 10 . 1 1 12 12 LYS N N 12 120.773 120.773 119.380 1.393 18441 3425 1 10 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.000 0.008 18441 3426 1 10 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.619 0.361 18441 3427 1 10 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.063 0.630 18441 3428 1 10 . 1 1 12 12 LYS H H 12 7.796 7.796 7.765 0.031 18441 3429 1 10 . 1 1 13 13 VAL N N 13 120.125 120.125 121.589 -1.464 18441 3430 1 10 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.702 -0.591 18441 3431 1 10 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.077 2.103 18441 3432 1 10 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.053 1.087 18441 3433 1 10 . 1 1 13 13 VAL H H 13 7.821 7.821 7.980 -0.159 18441 3434 1 10 . 1 1 14 14 ASP N N 14 117.462 117.462 119.062 -1.600 18441 3435 1 10 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.354 -0.092 18441 3436 1 10 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.267 0.133 18441 3437 1 10 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.931 0.383 18441 3438 1 10 . 1 1 14 14 ASP H H 14 8.276 8.276 7.807 0.469 18441 3439 1 10 . 1 1 15 15 PHE N N 15 117.914 117.914 119.658 -1.744 18441 3440 1 10 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.238 0.124 18441 3441 1 10 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.524 -0.334 18441 3442 1 10 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.339 1.359 18441 3443 1 10 . 1 1 15 15 PHE H H 15 7.664 7.664 7.703 -0.039 18441 3444 1 10 . 1 1 16 16 LEU N N 16 116.737 116.737 117.384 -0.647 18441 3445 1 10 . 1 1 16 16 LEU HA H 16 4.234 4.234 3.972 0.262 18441 3446 1 10 . 1 1 16 16 LEU CA C 16 56.420 56.420 55.669 0.751 18441 3447 1 10 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.441 2.637 18441 3448 1 10 . 1 1 16 16 LEU H H 16 7.658 7.658 8.063 -0.405 18441 3449 1 10 . 1 1 17 17 ILE N N 17 120.533 120.533 117.963 2.570 18441 3450 1 10 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.364 -0.256 18441 3451 1 10 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.765 1.775 18441 3452 1 10 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.155 1.202 18441 3453 1 10 . 1 1 17 17 ILE H H 17 8.336 8.336 7.532 0.804 18441 3454 1 10 . 1 1 18 18 GLU N N 18 124.531 124.531 122.301 2.230 18441 3455 1 10 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.025 0.185 18441 3456 1 10 . 1 1 18 18 GLU CA C 18 58.600 58.600 59.255 -0.655 18441 3457 1 10 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.696 1.314 18441 3458 1 10 . 1 1 18 18 GLU H H 18 8.276 8.276 8.613 -0.337 18441 3459 1 10 . 1 1 19 19 ASN N N 19 117.630 117.630 117.804 -0.174 18441 3460 1 10 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.637 0.168 18441 3461 1 10 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.083 -0.345 18441 3462 1 10 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.402 1.776 18441 3463 1 10 . 1 1 19 19 ASN H H 19 7.700 7.700 7.850 -0.150 18441 3464 1 10 . 1 1 20 20 ASP N N 20 127.428 127.428 119.451 7.977 18441 3465 1 10 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.620 -0.371 18441 3466 1 10 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.843 2.007 18441 3467 1 10 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.118 0.196 18441 3468 1 10 . 1 1 20 20 ASP H H 20 8.998 8.998 8.627 0.371 18441 3469 1 10 . 1 1 21 21 ALA N N 21 122.271 122.271 123.345 -1.074 18441 3470 1 10 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.122 0.138 18441 3471 1 10 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.157 0.843 18441 3472 1 10 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.312 0.338 18441 3473 1 10 . 1 1 21 21 ALA H H 21 8.346 8.346 8.150 0.196 18441 3474 1 10 . 1 1 22 22 GLU N N 22 118.716 118.716 117.970 0.746 18441 3475 1 10 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.954 0.160 18441 3476 1 10 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.056 0.304 18441 3477 1 10 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.072 2.700 18441 3478 1 10 . 1 1 22 22 GLU H H 22 7.724 7.724 8.844 -1.120 18441 3479 1 10 . 1 1 23 23 LYS N N 23 121.088 121.088 117.277 3.811 18441 3480 1 10 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.743 0.068 18441 3481 1 10 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.947 2.723 18441 3482 1 10 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.805 1.265 18441 3483 1 10 . 1 1 23 23 LYS H H 23 7.618 7.618 7.980 -0.362 18441 3484 1 10 . 1 1 24 24 ASP N N 24 119.010 119.010 120.573 -1.563 18441 3485 1 10 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.388 0.101 18441 3486 1 10 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.592 0.918 18441 3487 1 10 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.753 0.084 18441 3488 1 10 . 1 1 24 24 ASP H H 24 8.424 8.424 7.849 0.575 18441 3489 1 10 . 1 1 25 25 TYR N N 25 120.417 120.417 119.618 0.799 18441 3490 1 10 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.242 0.001 18441 3491 1 10 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.915 0.275 18441 3492 1 10 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.612 -0.113 18441 3493 1 10 . 1 1 25 25 TYR H H 25 7.676 7.676 8.036 -0.360 18441 3494 1 10 . 1 1 26 26 LEU N N 26 120.960 120.960 120.680 0.280 18441 3495 1 10 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.865 -0.264 18441 3496 1 10 . 1 1 26 26 LEU CA C 26 59.440 59.440 59.268 0.172 18441 3497 1 10 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.733 0.417 18441 3498 1 10 . 1 1 26 26 LEU H H 26 7.965 7.965 7.876 0.089 18441 3499 1 10 . 1 1 27 27 TYR N N 27 116.521 116.521 117.728 -1.207 18441 3500 1 10 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.093 -0.317 18441 3501 1 10 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.174 5.236 18441 3502 1 10 . 1 1 27 27 TYR CB C 27 38.403 38.403 36.931 1.472 18441 3503 1 10 . 1 1 27 27 TYR H H 27 8.097 8.097 8.284 -0.187 18441 3504 1 10 . 1 1 28 28 ASP N N 28 123.384 123.384 120.227 3.157 18441 3505 1 10 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.428 0.048 18441 3506 1 10 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.690 0.851 18441 3507 1 10 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.185 1.209 18441 3508 1 10 . 1 1 28 28 ASP H H 28 8.355 8.355 7.946 0.409 18441 3509 1 10 . 1 1 29 29 VAL N N 29 121.272 121.272 120.987 0.285 18441 3510 1 10 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.612 0.101 18441 3511 1 10 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.087 -0.437 18441 3512 1 10 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.912 0.006 18441 3513 1 10 . 1 1 29 29 VAL H H 29 8.252 8.252 7.837 0.415 18441 3514 1 10 . 1 1 30 30 LEU N N 30 122.443 122.443 119.663 2.780 18441 3515 1 10 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.038 0.005 18441 3516 1 10 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.309 0.571 18441 3517 1 10 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.437 0.844 18441 3518 1 10 . 1 1 30 30 LEU H H 30 7.987 7.987 8.103 -0.116 18441 3519 1 10 . 1 1 31 31 ARG N N 31 122.386 122.386 118.326 4.060 18441 3520 1 10 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.087 -0.071 18441 3521 1 10 . 1 1 31 31 ARG CA C 31 60.380 60.380 58.511 1.869 18441 3522 1 10 . 1 1 31 31 ARG CB C 31 30.400 30.400 29.739 0.661 18441 3523 1 10 . 1 1 31 31 ARG H H 31 8.637 8.637 8.192 0.445 18441 3524 1 10 . 1 1 32 32 MET N N 32 120.006 120.006 119.023 0.983 18441 3525 1 10 . 1 1 32 32 MET HA H 32 4.359 4.359 4.222 0.137 18441 3526 1 10 . 1 1 32 32 MET CA C 32 58.490 58.490 58.777 -0.287 18441 3527 1 10 . 1 1 32 32 MET CB C 32 31.677 31.677 32.042 -0.365 18441 3528 1 10 . 1 1 32 32 MET H H 32 8.327 8.327 8.223 0.104 18441 3529 1 10 . 1 1 33 33 TYR N N 33 123.220 123.220 120.813 2.407 18441 3530 1 10 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.363 0.361 18441 3531 1 10 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.497 0.503 18441 3532 1 10 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.785 1.902 18441 3533 1 10 . 1 1 33 33 TYR H H 33 8.054 8.054 8.491 -0.437 18441 3534 1 10 . 1 1 34 34 HIS N N 34 120.860 120.860 117.244 3.616 18441 3535 1 10 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.068 -0.292 18441 3536 1 10 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.093 1.617 18441 3537 1 10 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.373 1.019 18441 3538 1 10 . 1 1 34 34 HIS H H 34 8.548 8.548 7.956 0.592 18441 3539 1 10 . 1 1 35 35 GLN N N 35 113.582 113.582 118.674 -5.092 18441 3540 1 10 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.186 -0.186 18441 3541 1 10 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.514 0.167 18441 3542 1 10 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.349 1.201 18441 3543 1 10 . 1 1 35 35 GLN H H 35 7.542 7.542 8.411 -0.869 18441 3544 1 10 . 1 1 36 36 THR N N 36 111.117 111.117 111.563 -0.446 18441 3545 1 10 . 1 1 36 36 THR HA H 36 4.214 4.214 4.194 0.020 18441 3546 1 10 . 1 1 36 36 THR CA C 36 63.980 63.980 63.474 0.506 18441 3547 1 10 . 1 1 36 36 THR CB C 36 71.670 71.670 69.697 1.973 18441 3548 1 10 . 1 1 36 36 THR H H 36 8.569 8.569 8.405 0.164 18441 3549 1 10 . 1 1 37 37 MET N N 37 120.444 120.444 117.795 2.649 18441 3550 1 10 . 1 1 37 37 MET HA H 37 3.740 3.740 4.198 -0.458 18441 3551 1 10 . 1 1 37 37 MET CA C 37 56.430 56.430 56.703 -0.273 18441 3552 1 10 . 1 1 37 37 MET CB C 37 31.399 31.399 30.549 0.850 18441 3553 1 10 . 1 1 37 37 MET H H 37 9.542 9.542 7.384 2.158 18441 3554 1 10 . 1 1 38 38 ASP N N 38 117.020 117.020 120.642 -3.622 18441 3555 1 10 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.893 0.051 18441 3556 1 10 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.542 -0.066 18441 3557 1 10 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.803 -0.763 18441 3558 1 10 . 1 1 38 38 ASP H H 38 7.456 7.456 7.758 -0.302 18441 3559 1 10 . 1 1 39 39 VAL N N 39 128.507 128.507 125.999 2.508 18441 3560 1 10 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.716 0.115 18441 3561 1 10 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.423 0.417 18441 3562 1 10 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.774 0.926 18441 3563 1 10 . 1 1 39 39 VAL H H 39 8.425 8.425 8.790 -0.365 18441 3564 1 10 . 1 1 40 40 ALA N N 40 125.621 125.621 122.916 2.705 18441 3565 1 10 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.175 -0.188 18441 3566 1 10 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.435 0.425 18441 3567 1 10 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.308 0.162 18441 3568 1 10 . 1 1 40 40 ALA H H 40 7.998 7.998 8.090 -0.092 18441 3569 1 10 . 1 1 41 41 VAL N N 41 122.132 122.132 119.216 2.916 18441 3570 1 10 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.798 -0.227 18441 3571 1 10 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.226 1.454 18441 3572 1 10 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.456 1.246 18441 3573 1 10 . 1 1 41 41 VAL H H 41 7.663 7.663 7.710 -0.047 18441 3574 1 10 . 1 1 42 42 LEU N N 42 120.190 120.190 118.331 1.859 18441 3575 1 10 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.155 0.105 18441 3576 1 10 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.420 0.570 18441 3577 1 10 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.833 -0.128 18441 3578 1 10 . 1 1 42 42 LEU H H 42 7.361 7.361 7.279 0.082 18441 3579 1 10 . 1 1 43 43 VAL N N 43 116.802 116.802 119.492 -2.690 18441 3580 1 10 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.538 -0.121 18441 3581 1 10 . 1 1 43 43 VAL CA C 43 68.780 68.780 67.001 1.780 18441 3582 1 10 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.872 1.109 18441 3583 1 10 . 1 1 43 43 VAL H H 43 8.062 8.062 7.787 0.275 18441 3584 1 10 . 1 1 44 44 GLY N N 44 106.242 106.242 108.297 -2.055 18441 3585 1 10 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.280 1.036 18441 3586 1 10 . 1 1 44 44 GLY H H 44 7.901 7.901 7.857 0.044 18441 3587 1 10 . 1 1 45 45 ASP N N 45 123.359 123.359 123.463 -0.104 18441 3588 1 10 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.568 0.097 18441 3589 1 10 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.323 0.437 18441 3590 1 10 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.435 0.433 18441 3591 1 10 . 1 1 45 45 ASP H H 45 8.680 8.680 7.821 0.859 18441 3592 1 10 . 1 1 46 46 LEU N N 46 123.201 123.201 120.267 2.934 18441 3593 1 10 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.940 0.126 18441 3594 1 10 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.067 0.053 18441 3595 1 10 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.836 1.163 18441 3596 1 10 . 1 1 46 46 LEU H H 46 9.018 9.018 8.617 0.401 18441 3597 1 10 . 1 1 47 47 LYS N N 47 119.196 119.196 119.212 -0.016 18441 3598 1 10 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.137 -0.167 18441 3599 1 10 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.251 1.039 18441 3600 1 10 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.029 1.111 18441 3601 1 10 . 1 1 47 47 LYS H H 47 8.017 8.017 7.833 0.184 18441 3602 1 10 . 1 1 48 48 LEU N N 48 116.358 116.358 119.842 -3.484 18441 3603 1 10 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.088 0.073 18441 3604 1 10 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.657 0.013 18441 3605 1 10 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.554 -0.394 18441 3606 1 10 . 1 1 48 48 LEU H H 48 7.143 7.143 7.663 -0.520 18441 3607 1 10 . 1 1 49 49 VAL N N 49 112.662 112.662 115.707 -3.045 18441 3608 1 10 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.147 0.326 18441 3609 1 10 . 1 1 49 49 VAL CA C 49 62.060 62.060 63.204 -1.144 18441 3610 1 10 . 1 1 49 49 VAL CB C 49 35.166 35.166 33.077 2.089 18441 3611 1 10 . 1 1 49 49 VAL H H 49 7.266 7.266 7.750 -0.484 18441 3612 1 10 . 1 1 50 50 ILE N N 50 124.631 124.631 119.377 5.254 18441 3613 1 10 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.337 -0.492 18441 3614 1 10 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.565 1.025 18441 3615 1 10 . 1 1 50 50 ILE CB C 50 35.161 35.161 39.187 -4.026 18441 3616 1 10 . 1 1 50 50 ILE H H 50 8.475 8.475 7.616 0.859 18441 3617 1 10 . 1 1 51 51 ASN N N 51 119.027 119.027 118.861 0.166 18441 3618 1 10 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.546 0.161 18441 3619 1 10 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.120 0.328 18441 3620 1 10 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.143 0.818 18441 3621 1 10 . 1 1 51 51 ASN H H 51 7.347 7.347 8.057 -0.710 18441 3622 1 10 . 1 1 52 52 GLU N N 52 115.889 115.889 118.951 -3.062 18441 3623 1 10 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.752 0.136 18441 3624 1 10 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.012 1.773 18441 3625 1 10 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.498 0.522 18441 3626 1 10 . 1 1 52 52 GLU H H 52 7.438 7.438 7.279 0.159 18441 3627 1 10 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.158 0.052 18441 3628 1 10 . 1 1 53 53 PRO CA C 53 66.960 66.960 66.145 0.815 18441 3629 1 10 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.794 1.153 18441 3630 1 10 . 1 1 54 54 SER N N 54 113.711 113.711 111.362 2.349 18441 3631 1 10 . 1 1 54 54 SER HA H 54 4.173 4.173 4.314 -0.141 18441 3632 1 10 . 1 1 54 54 SER CA C 54 61.650 61.650 60.341 1.309 18441 3633 1 10 . 1 1 54 54 SER CB C 54 62.930 62.930 63.380 -0.450 18441 3634 1 10 . 1 1 54 54 SER H H 54 8.946 8.946 8.285 0.661 18441 3635 1 10 . 1 1 55 55 ARG N N 55 116.455 116.455 120.617 -4.162 18441 3636 1 10 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.328 0.076 18441 3637 1 10 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.251 0.059 18441 3638 1 10 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.606 3.006 18441 3639 1 10 . 1 1 55 55 ARG H H 55 7.759 7.759 7.839 -0.080 18441 3640 1 10 . 1 1 56 56 LEU N N 56 121.468 121.468 123.008 -1.540 18441 3641 1 10 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.085 0.050 18441 3642 1 10 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.228 -0.328 18441 3643 1 10 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.160 1.837 18441 3644 1 10 . 1 1 56 56 LEU H H 56 7.472 7.472 8.609 -1.137 18441 3645 1 10 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.174 0.522 18441 3646 1 10 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.084 0.096 18441 3647 1 10 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.092 1.298 18441 3648 1 10 . 1 1 58 58 LEU N N 58 119.923 119.923 118.227 1.696 18441 3649 1 10 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.005 0.045 18441 3650 1 10 . 1 1 58 58 LEU CA C 58 58.320 58.320 58.098 0.222 18441 3651 1 10 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.899 0.129 18441 3652 1 10 . 1 1 58 58 LEU H H 58 8.734 8.734 7.834 0.900 18441 3653 1 10 . 1 1 59 59 PHE N N 59 116.632 116.632 119.378 -2.746 18441 3654 1 10 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.325 0.154 18441 3655 1 10 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.361 1.719 18441 3656 1 10 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.863 -0.011 18441 3657 1 10 . 1 1 59 59 PHE H H 59 8.312 8.312 9.051 -0.739 18441 3658 1 10 . 1 1 60 60 ASP N N 60 120.603 120.603 119.184 1.419 18441 3659 1 10 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.521 0.150 18441 3660 1 10 . 1 1 60 60 ASP CA C 60 57.870 57.870 57.518 0.352 18441 3661 1 10 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.678 0.863 18441 3662 1 10 . 1 1 60 60 ASP H H 60 7.462 7.462 7.764 -0.302 18441 3663 1 10 . 1 1 61 61 ALA N N 61 122.470 122.470 123.263 -0.793 18441 3664 1 10 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.010 0.251 18441 3665 1 10 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.540 0.006 18441 3666 1 10 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.303 0.577 18441 3667 1 10 . 1 1 61 61 ALA H H 61 7.664 7.664 7.881 -0.217 18441 3668 1 10 . 1 1 62 62 ILE N N 62 115.525 115.525 118.313 -2.788 18441 3669 1 10 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.106 0.576 18441 3670 1 10 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.514 -0.094 18441 3671 1 10 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.857 2.298 18441 3672 1 10 . 1 1 62 62 ILE H H 62 7.653 7.653 7.356 0.297 18441 3673 1 10 . 1 1 63 63 ARG N N 63 121.016 121.016 120.495 0.521 18441 3674 1 10 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.469 0.005 18441 3675 1 10 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.277 1.093 18441 3676 1 10 . 1 1 63 63 ARG H H 63 6.917 6.917 7.334 -0.417 18441 3677 1 10 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.150 0.161 18441 3678 1 10 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.533 0.207 18441 3679 1 10 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.017 1.170 18441 3680 1 10 . 1 1 65 65 LEU N N 65 114.713 114.713 115.121 -0.408 18441 3681 1 10 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.030 -0.110 18441 3682 1 10 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.169 -0.508 18441 3683 1 10 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.800 0.308 18441 3684 1 10 . 1 1 65 65 LEU H H 65 8.074 8.074 7.344 0.730 18441 3685 1 10 . 1 1 66 66 ILE N N 66 120.129 120.129 119.040 1.089 18441 3686 1 10 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.024 0.281 18441 3687 1 10 . 1 1 66 66 ILE CA C 66 56.760 56.760 62.134 -5.374 18441 3688 1 10 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.436 -0.792 18441 3689 1 10 . 1 1 66 66 ILE H H 66 7.398 7.398 7.462 -0.064 18441 3690 1 10 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.337 -0.032 18441 3691 1 10 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.692 0.948 18441 3692 1 10 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.382 0.907 18441 3693 1 10 . 1 1 68 68 LEU N N 68 124.673 124.673 122.085 2.588 18441 3694 1 10 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.918 -0.068 18441 3695 1 10 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.277 0.343 18441 3696 1 10 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.723 0.744 18441 3697 1 10 . 1 1 68 68 LEU H H 68 8.471 8.471 8.364 0.107 18441 3698 1 10 . 1 1 69 69 LYS N N 69 115.247 115.247 118.394 -3.147 18441 3699 1 10 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.055 0.114 18441 3700 1 10 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.266 -0.246 18441 3701 1 10 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.875 0.631 18441 3702 1 10 . 1 1 69 69 LYS H H 69 8.536 8.536 8.443 0.093 18441 3703 1 10 . 1 1 70 70 HIS N N 70 118.849 118.849 117.776 1.073 18441 3704 1 10 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.395 0.830 18441 3705 1 10 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.129 -3.240 18441 3706 1 10 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.404 5.634 18441 3707 1 10 . 1 1 70 70 HIS H H 70 8.060 8.060 8.436 -0.376 18441 3708 1 10 . 1 1 71 71 GLN N N 71 122.130 122.130 119.982 2.148 18441 3709 1 10 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.103 -0.404 18441 3710 1 10 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.685 2.005 18441 3711 1 10 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.848 0.402 18441 3712 1 10 . 1 1 71 71 GLN H H 71 7.732 7.732 8.463 -0.731 18441 3713 1 10 . 1 1 72 72 VAL N N 72 119.182 119.182 120.004 -0.822 18441 3714 1 10 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.728 0.080 18441 3715 1 10 . 1 1 72 72 VAL CA C 72 67.220 67.220 65.882 1.338 18441 3716 1 10 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.794 0.019 18441 3717 1 10 . 1 1 72 72 VAL H H 72 8.203 8.203 7.914 0.289 18441 3718 1 10 . 1 1 73 73 GLU N N 73 121.878 121.878 120.199 1.679 18441 3719 1 10 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.232 -0.254 18441 3720 1 10 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.269 0.831 18441 3721 1 10 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.431 1.229 18441 3722 1 10 . 1 1 73 73 GLU H H 73 8.136 8.136 7.843 0.293 18441 3723 1 10 . 1 1 74 74 TYR N N 74 119.780 119.780 120.494 -0.714 18441 3724 1 10 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.071 -0.394 18441 3725 1 10 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.686 1.624 18441 3726 1 10 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.595 1.425 18441 3727 1 10 . 1 1 74 74 TYR H H 74 8.491 8.491 8.414 0.077 18441 3728 1 10 . 1 1 75 75 ASP N N 75 120.231 120.231 119.586 0.645 18441 3729 1 10 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.347 -0.204 18441 3730 1 10 . 1 1 75 75 ASP CA C 75 57.560 57.560 58.019 -0.459 18441 3731 1 10 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.781 -0.203 18441 3732 1 10 . 1 1 75 75 ASP H H 75 8.566 8.566 8.709 -0.143 18441 3733 1 10 . 1 1 76 76 GLN N N 76 118.324 118.324 119.438 -1.114 18441 3734 1 10 . 1 1 76 76 GLN HA H 76 4.056 4.056 3.998 0.058 18441 3735 1 10 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.762 -0.332 18441 3736 1 10 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.953 0.477 18441 3737 1 10 . 1 1 76 76 GLN H H 76 7.844 7.844 7.604 0.240 18441 3738 1 10 . 1 1 77 77 LEU N N 77 117.932 117.932 116.230 1.702 18441 3739 1 10 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.043 0.154 18441 3740 1 10 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.317 -0.407 18441 3741 1 10 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.206 3.198 18441 3742 1 10 . 1 1 77 77 LEU H H 77 7.665 7.665 7.536 0.129 18441 3743 1 10 . 1 1 78 78 THR N N 78 110.323 110.323 110.432 -0.109 18441 3744 1 10 . 1 1 78 78 THR HA H 78 3.709 3.709 4.472 -0.763 18441 3745 1 10 . 1 1 78 78 THR CA C 78 59.750 59.750 59.283 0.466 18441 3746 1 10 . 1 1 78 78 THR CB C 78 69.110 69.110 70.262 -1.152 18441 3747 1 10 . 1 1 78 78 THR H H 78 7.130 7.130 7.386 -0.256 18441 3748 1 10 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.290 -0.044 18441 3749 1 10 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.185 0.495 18441 3750 1 10 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.531 0.860 18441 3751 1 11 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.887 -0.357 18441 3752 1 11 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.478 2.112 18441 3753 1 11 . 1 1 2 2 ASP CB C 2 41.693 41.693 43.003 -1.310 18441 3754 1 11 . 1 1 3 3 ARG N N 3 121.498 121.498 120.774 0.724 18441 3755 1 11 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.166 0.075 18441 3756 1 11 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.690 -1.020 18441 3757 1 11 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.647 -0.137 18441 3758 1 11 . 1 1 3 3 ARG H H 3 8.382 8.382 8.496 -0.114 18441 3759 1 11 . 1 1 4 4 LYS N N 4 122.257 122.257 119.394 2.863 18441 3760 1 11 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.127 -0.069 18441 3761 1 11 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.247 0.463 18441 3762 1 11 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.976 1.300 18441 3763 1 11 . 1 1 4 4 LYS H H 4 8.226 8.226 8.367 -0.141 18441 3764 1 11 . 1 1 5 5 VAL N N 5 120.494 120.494 118.781 1.713 18441 3765 1 11 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.806 -0.085 18441 3766 1 11 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.999 0.651 18441 3767 1 11 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.207 0.867 18441 3768 1 11 . 1 1 5 5 VAL H H 5 8.109 8.109 7.945 0.164 18441 3769 1 11 . 1 1 6 6 ALA N N 6 123.149 123.149 122.855 0.294 18441 3770 1 11 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.294 -0.259 18441 3771 1 11 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.302 0.588 18441 3772 1 11 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.383 0.878 18441 3773 1 11 . 1 1 6 6 ALA H H 6 8.374 8.374 7.454 0.920 18441 3774 1 11 . 1 1 7 7 ARG N N 7 119.587 119.587 118.530 1.057 18441 3775 1 11 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.913 0.088 18441 3776 1 11 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.496 0.274 18441 3777 1 11 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.106 0.664 18441 3778 1 11 . 1 1 7 7 ARG H H 7 7.992 7.992 7.775 0.217 18441 3779 1 11 . 1 1 8 8 GLU N N 8 119.745 119.745 120.463 -0.718 18441 3780 1 11 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.161 -0.103 18441 3781 1 11 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.488 0.282 18441 3782 1 11 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.711 0.239 18441 3783 1 11 . 1 1 8 8 GLU H H 8 8.165 8.165 8.000 0.165 18441 3784 1 11 . 1 1 9 9 PHE N N 9 121.436 121.436 119.814 1.622 18441 3785 1 11 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.388 -0.261 18441 3786 1 11 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.046 2.974 18441 3787 1 11 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.577 1.046 18441 3788 1 11 . 1 1 9 9 PHE H H 9 8.180 8.180 8.130 0.050 18441 3789 1 11 . 1 1 10 10 ARG N N 10 119.028 119.028 119.876 -0.848 18441 3790 1 11 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.366 0.495 18441 3791 1 11 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.337 0.243 18441 3792 1 11 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.433 0.887 18441 3793 1 11 . 1 1 10 10 ARG H H 10 7.910 7.910 7.975 -0.065 18441 3794 1 11 . 1 1 11 11 HIS N N 11 116.563 116.563 118.579 -2.016 18441 3795 1 11 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.246 0.210 18441 3796 1 11 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.045 0.135 18441 3797 1 11 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.933 0.097 18441 3798 1 11 . 1 1 11 11 HIS H H 11 8.001 8.001 8.214 -0.213 18441 3799 1 11 . 1 1 12 12 LYS N N 12 120.773 120.773 118.750 2.023 18441 3800 1 11 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.051 -0.043 18441 3801 1 11 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.691 0.288 18441 3802 1 11 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.348 0.345 18441 3803 1 11 . 1 1 12 12 LYS H H 12 7.796 7.796 7.696 0.100 18441 3804 1 11 . 1 1 13 13 VAL N N 13 120.125 120.125 119.887 0.238 18441 3805 1 11 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.734 -0.623 18441 3806 1 11 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.264 1.916 18441 3807 1 11 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.414 0.726 18441 3808 1 11 . 1 1 13 13 VAL H H 13 7.821 7.821 7.838 -0.017 18441 3809 1 11 . 1 1 14 14 ASP N N 14 117.462 117.462 119.569 -2.107 18441 3810 1 11 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.350 -0.088 18441 3811 1 11 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.965 0.435 18441 3812 1 11 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.806 0.508 18441 3813 1 11 . 1 1 14 14 ASP H H 14 8.276 8.276 7.822 0.454 18441 3814 1 11 . 1 1 15 15 PHE N N 15 117.914 117.914 118.501 -0.587 18441 3815 1 11 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.307 0.055 18441 3816 1 11 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.389 -0.199 18441 3817 1 11 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.555 1.143 18441 3818 1 11 . 1 1 15 15 PHE H H 15 7.664 7.664 7.858 -0.194 18441 3819 1 11 . 1 1 16 16 LEU N N 16 116.737 116.737 116.600 0.137 18441 3820 1 11 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.275 -0.041 18441 3821 1 11 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.278 2.142 18441 3822 1 11 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.365 2.713 18441 3823 1 11 . 1 1 16 16 LEU H H 16 7.658 7.658 7.686 -0.028 18441 3824 1 11 . 1 1 17 17 ILE N N 17 120.533 120.533 117.276 3.257 18441 3825 1 11 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.325 -0.217 18441 3826 1 11 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.096 1.444 18441 3827 1 11 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.348 1.009 18441 3828 1 11 . 1 1 17 17 ILE H H 17 8.336 8.336 7.160 1.176 18441 3829 1 11 . 1 1 18 18 GLU N N 18 124.531 124.531 122.381 2.150 18441 3830 1 11 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.083 0.127 18441 3831 1 11 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.571 0.029 18441 3832 1 11 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.715 1.296 18441 3833 1 11 . 1 1 18 18 GLU H H 18 8.276 8.276 8.532 -0.256 18441 3834 1 11 . 1 1 19 19 ASN N N 19 117.630 117.630 117.249 0.381 18441 3835 1 11 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.652 0.153 18441 3836 1 11 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.214 0.524 18441 3837 1 11 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.818 1.360 18441 3838 1 11 . 1 1 19 19 ASN H H 19 7.700 7.700 7.966 -0.266 18441 3839 1 11 . 1 1 20 20 ASP N N 20 127.428 127.428 122.305 5.123 18441 3840 1 11 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.505 -0.256 18441 3841 1 11 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.626 2.224 18441 3842 1 11 . 1 1 20 20 ASP CB C 20 41.314 41.314 40.687 0.627 18441 3843 1 11 . 1 1 20 20 ASP H H 20 8.998 8.998 8.656 0.342 18441 3844 1 11 . 1 1 21 21 ALA N N 21 122.271 122.271 122.689 -0.418 18441 3845 1 11 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.039 0.221 18441 3846 1 11 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.192 0.808 18441 3847 1 11 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.207 0.443 18441 3848 1 11 . 1 1 21 21 ALA H H 21 8.346 8.346 8.160 0.186 18441 3849 1 11 . 1 1 22 22 GLU N N 22 118.716 118.716 118.665 0.051 18441 3850 1 11 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.937 0.177 18441 3851 1 11 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.549 0.811 18441 3852 1 11 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.002 2.770 18441 3853 1 11 . 1 1 22 22 GLU H H 22 7.724 7.724 8.664 -0.940 18441 3854 1 11 . 1 1 23 23 LYS N N 23 121.088 121.088 117.464 3.624 18441 3855 1 11 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.820 -0.009 18441 3856 1 11 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.873 2.797 18441 3857 1 11 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.010 1.060 18441 3858 1 11 . 1 1 23 23 LYS H H 23 7.618 7.618 7.731 -0.113 18441 3859 1 11 . 1 1 24 24 ASP N N 24 119.010 119.010 120.513 -1.503 18441 3860 1 11 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.308 0.181 18441 3861 1 11 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.424 1.086 18441 3862 1 11 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.834 0.003 18441 3863 1 11 . 1 1 24 24 ASP H H 24 8.424 8.424 7.604 0.820 18441 3864 1 11 . 1 1 25 25 TYR N N 25 120.417 120.417 119.880 0.537 18441 3865 1 11 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.132 0.111 18441 3866 1 11 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.193 0.997 18441 3867 1 11 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.455 0.044 18441 3868 1 11 . 1 1 25 25 TYR H H 25 7.676 7.676 8.352 -0.676 18441 3869 1 11 . 1 1 26 26 LEU N N 26 120.960 120.960 119.900 1.060 18441 3870 1 11 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.872 -0.271 18441 3871 1 11 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.728 0.712 18441 3872 1 11 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.466 0.685 18441 3873 1 11 . 1 1 26 26 LEU H H 26 7.965 7.965 7.855 0.110 18441 3874 1 11 . 1 1 27 27 TYR N N 27 116.521 116.521 117.813 -1.292 18441 3875 1 11 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.110 -0.334 18441 3876 1 11 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.066 5.344 18441 3877 1 11 . 1 1 27 27 TYR CB C 27 38.403 38.403 36.982 1.421 18441 3878 1 11 . 1 1 27 27 TYR H H 27 8.097 8.097 7.726 0.371 18441 3879 1 11 . 1 1 28 28 ASP N N 28 123.384 123.384 119.654 3.730 18441 3880 1 11 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.476 -0.000 18441 3881 1 11 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.166 1.374 18441 3882 1 11 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.673 0.721 18441 3883 1 11 . 1 1 28 28 ASP H H 28 8.355 8.355 7.781 0.574 18441 3884 1 11 . 1 1 29 29 VAL N N 29 121.272 121.272 120.524 0.748 18441 3885 1 11 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.483 0.230 18441 3886 1 11 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.291 -0.641 18441 3887 1 11 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.841 0.077 18441 3888 1 11 . 1 1 29 29 VAL H H 29 8.252 8.252 8.015 0.237 18441 3889 1 11 . 1 1 30 30 LEU N N 30 122.443 122.443 119.576 2.867 18441 3890 1 11 . 1 1 30 30 LEU HA H 30 4.043 4.043 3.995 0.048 18441 3891 1 11 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.236 0.644 18441 3892 1 11 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.581 0.700 18441 3893 1 11 . 1 1 30 30 LEU H H 30 7.987 7.987 8.428 -0.441 18441 3894 1 11 . 1 1 31 31 ARG N N 31 122.386 122.386 118.580 3.806 18441 3895 1 11 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.015 0.001 18441 3896 1 11 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.636 0.744 18441 3897 1 11 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.065 0.335 18441 3898 1 11 . 1 1 31 31 ARG H H 31 8.637 8.637 8.022 0.615 18441 3899 1 11 . 1 1 32 32 MET N N 32 120.006 120.006 119.135 0.871 18441 3900 1 11 . 1 1 32 32 MET HA H 32 4.359 4.359 4.175 0.184 18441 3901 1 11 . 1 1 32 32 MET CA C 32 58.490 58.490 58.067 0.423 18441 3902 1 11 . 1 1 32 32 MET CB C 32 31.677 31.677 31.630 0.047 18441 3903 1 11 . 1 1 32 32 MET H H 32 8.327 8.327 7.901 0.426 18441 3904 1 11 . 1 1 33 33 TYR N N 33 123.220 123.220 120.580 2.640 18441 3905 1 11 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.150 0.574 18441 3906 1 11 . 1 1 33 33 TYR CA C 33 61.000 61.000 61.000 0.000 18441 3907 1 11 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.893 1.794 18441 3908 1 11 . 1 1 33 33 TYR H H 33 8.054 8.054 8.118 -0.064 18441 3909 1 11 . 1 1 34 34 HIS N N 34 120.860 120.860 117.669 3.191 18441 3910 1 11 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.179 -0.403 18441 3911 1 11 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.146 1.564 18441 3912 1 11 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.225 1.167 18441 3913 1 11 . 1 1 34 34 HIS H H 34 8.548 8.548 8.000 0.548 18441 3914 1 11 . 1 1 35 35 GLN N N 35 113.582 113.582 118.468 -4.886 18441 3915 1 11 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.197 -0.197 18441 3916 1 11 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.603 0.077 18441 3917 1 11 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.570 0.980 18441 3918 1 11 . 1 1 35 35 GLN H H 35 7.542 7.542 8.383 -0.841 18441 3919 1 11 . 1 1 36 36 THR N N 36 111.117 111.117 110.180 0.937 18441 3920 1 11 . 1 1 36 36 THR HA H 36 4.214 4.214 4.271 -0.057 18441 3921 1 11 . 1 1 36 36 THR CA C 36 63.980 63.980 62.770 1.210 18441 3922 1 11 . 1 1 36 36 THR CB C 36 71.670 71.670 69.966 1.704 18441 3923 1 11 . 1 1 36 36 THR H H 36 8.569 8.569 8.422 0.147 18441 3924 1 11 . 1 1 37 37 MET N N 37 120.444 120.444 118.747 1.697 18441 3925 1 11 . 1 1 37 37 MET HA H 37 3.740 3.740 4.065 -0.325 18441 3926 1 11 . 1 1 37 37 MET CA C 37 56.430 56.430 56.056 0.374 18441 3927 1 11 . 1 1 37 37 MET CB C 37 31.399 31.399 30.526 0.873 18441 3928 1 11 . 1 1 37 37 MET H H 37 9.542 9.542 7.553 1.989 18441 3929 1 11 . 1 1 38 38 ASP N N 38 117.020 117.020 120.092 -3.072 18441 3930 1 11 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.871 0.073 18441 3931 1 11 . 1 1 38 38 ASP CA C 38 53.476 53.476 52.743 0.733 18441 3932 1 11 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.806 -0.766 18441 3933 1 11 . 1 1 38 38 ASP H H 38 7.456 7.456 7.851 -0.395 18441 3934 1 11 . 1 1 39 39 VAL N N 39 128.507 128.507 125.615 2.892 18441 3935 1 11 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.908 -0.077 18441 3936 1 11 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.559 0.281 18441 3937 1 11 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.547 1.153 18441 3938 1 11 . 1 1 39 39 VAL H H 39 8.425 8.425 8.688 -0.263 18441 3939 1 11 . 1 1 40 40 ALA N N 40 125.621 125.621 122.379 3.242 18441 3940 1 11 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.095 -0.108 18441 3941 1 11 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.384 0.476 18441 3942 1 11 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.407 0.063 18441 3943 1 11 . 1 1 40 40 ALA H H 40 7.998 7.998 8.282 -0.284 18441 3944 1 11 . 1 1 41 41 VAL N N 41 122.132 122.132 118.431 3.701 18441 3945 1 11 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.783 -0.212 18441 3946 1 11 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.497 1.183 18441 3947 1 11 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.091 1.611 18441 3948 1 11 . 1 1 41 41 VAL H H 41 7.663 7.663 7.511 0.152 18441 3949 1 11 . 1 1 42 42 LEU N N 42 120.190 120.190 120.389 -0.199 18441 3950 1 11 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.919 0.341 18441 3951 1 11 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.135 0.855 18441 3952 1 11 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.681 -0.976 18441 3953 1 11 . 1 1 42 42 LEU H H 42 7.361 7.361 7.362 -0.001 18441 3954 1 11 . 1 1 43 43 VAL N N 43 116.802 116.802 117.578 -0.776 18441 3955 1 11 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.591 -0.174 18441 3956 1 11 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.633 2.147 18441 3957 1 11 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.765 1.214 18441 3958 1 11 . 1 1 43 43 VAL H H 43 8.062 8.062 7.724 0.338 18441 3959 1 11 . 1 1 44 44 GLY N N 44 106.242 106.242 108.244 -2.002 18441 3960 1 11 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.333 0.983 18441 3961 1 11 . 1 1 44 44 GLY H H 44 7.901 7.901 7.964 -0.063 18441 3962 1 11 . 1 1 45 45 ASP N N 45 123.359 123.359 123.535 -0.176 18441 3963 1 11 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.547 0.118 18441 3964 1 11 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.688 0.072 18441 3965 1 11 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.373 0.494 18441 3966 1 11 . 1 1 45 45 ASP H H 45 8.680 8.680 7.800 0.880 18441 3967 1 11 . 1 1 46 46 LEU N N 46 123.201 123.201 120.526 2.675 18441 3968 1 11 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.875 0.191 18441 3969 1 11 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.992 0.127 18441 3970 1 11 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.900 1.099 18441 3971 1 11 . 1 1 46 46 LEU H H 46 9.018 9.018 8.599 0.419 18441 3972 1 11 . 1 1 47 47 LYS N N 47 119.196 119.196 118.992 0.204 18441 3973 1 11 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.117 -0.147 18441 3974 1 11 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.761 0.529 18441 3975 1 11 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.194 0.947 18441 3976 1 11 . 1 1 47 47 LYS H H 47 8.017 8.017 7.753 0.264 18441 3977 1 11 . 1 1 48 48 LEU N N 48 116.358 116.358 120.201 -3.843 18441 3978 1 11 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.096 0.065 18441 3979 1 11 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.960 -0.290 18441 3980 1 11 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.433 -0.273 18441 3981 1 11 . 1 1 48 48 LEU H H 48 7.143 7.143 7.606 -0.463 18441 3982 1 11 . 1 1 49 49 VAL N N 49 112.662 112.662 114.601 -1.939 18441 3983 1 11 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.149 0.324 18441 3984 1 11 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.410 -0.350 18441 3985 1 11 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.676 2.490 18441 3986 1 11 . 1 1 49 49 VAL H H 49 7.266 7.266 7.622 -0.356 18441 3987 1 11 . 1 1 50 50 ILE N N 50 124.631 124.631 117.925 6.706 18441 3988 1 11 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.465 -0.620 18441 3989 1 11 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.358 1.232 18441 3990 1 11 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.947 -3.786 18441 3991 1 11 . 1 1 50 50 ILE H H 50 8.475 8.475 7.653 0.822 18441 3992 1 11 . 1 1 51 51 ASN N N 51 119.027 119.027 118.858 0.169 18441 3993 1 11 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.614 0.093 18441 3994 1 11 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.241 0.207 18441 3995 1 11 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.192 0.769 18441 3996 1 11 . 1 1 51 51 ASN H H 51 7.347 7.347 8.164 -0.817 18441 3997 1 11 . 1 1 52 52 GLU N N 52 115.889 115.889 118.792 -2.903 18441 3998 1 11 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.751 0.137 18441 3999 1 11 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.084 1.702 18441 4000 1 11 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.418 -0.398 18441 4001 1 11 . 1 1 52 52 GLU H H 52 7.438 7.438 7.597 -0.159 18441 4002 1 11 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.245 -0.035 18441 4003 1 11 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.430 1.530 18441 4004 1 11 . 1 1 53 53 PRO CB C 53 32.948 32.948 32.043 0.905 18441 4005 1 11 . 1 1 54 54 SER N N 54 113.711 113.711 112.345 1.366 18441 4006 1 11 . 1 1 54 54 SER HA H 54 4.173 4.173 4.344 -0.171 18441 4007 1 11 . 1 1 54 54 SER CA C 54 61.650 61.650 60.281 1.369 18441 4008 1 11 . 1 1 54 54 SER CB C 54 62.930 62.930 63.261 -0.331 18441 4009 1 11 . 1 1 54 54 SER H H 54 8.946 8.946 8.067 0.879 18441 4010 1 11 . 1 1 55 55 ARG N N 55 116.455 116.455 119.388 -2.933 18441 4011 1 11 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.338 0.066 18441 4012 1 11 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.323 -0.013 18441 4013 1 11 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.291 3.321 18441 4014 1 11 . 1 1 55 55 ARG H H 55 7.759 7.759 7.363 0.396 18441 4015 1 11 . 1 1 56 56 LEU N N 56 121.468 121.468 123.232 -1.764 18441 4016 1 11 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.227 -0.092 18441 4017 1 11 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.040 -0.140 18441 4018 1 11 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.380 1.617 18441 4019 1 11 . 1 1 56 56 LEU H H 56 7.472 7.472 8.488 -1.016 18441 4020 1 11 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.212 0.484 18441 4021 1 11 . 1 1 57 57 PRO CA C 57 66.180 66.180 65.983 0.197 18441 4022 1 11 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.011 1.379 18441 4023 1 11 . 1 1 58 58 LEU N N 58 119.923 119.923 118.030 1.893 18441 4024 1 11 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.146 -0.096 18441 4025 1 11 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.709 0.611 18441 4026 1 11 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.475 0.553 18441 4027 1 11 . 1 1 58 58 LEU H H 58 8.734 8.734 7.599 1.135 18441 4028 1 11 . 1 1 59 59 PHE N N 59 116.632 116.632 121.046 -4.414 18441 4029 1 11 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.207 0.272 18441 4030 1 11 . 1 1 59 59 PHE CA C 59 63.080 63.080 62.318 0.762 18441 4031 1 11 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.127 -0.275 18441 4032 1 11 . 1 1 59 59 PHE H H 59 8.312 8.312 8.825 -0.513 18441 4033 1 11 . 1 1 60 60 ASP N N 60 120.603 120.603 118.383 2.220 18441 4034 1 11 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.374 0.297 18441 4035 1 11 . 1 1 60 60 ASP CA C 60 57.870 57.870 57.592 0.278 18441 4036 1 11 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.908 0.633 18441 4037 1 11 . 1 1 60 60 ASP H H 60 7.462 7.462 7.839 -0.377 18441 4038 1 11 . 1 1 61 61 ALA N N 61 122.470 122.470 123.094 -0.624 18441 4039 1 11 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.872 0.389 18441 4040 1 11 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.704 -0.158 18441 4041 1 11 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.727 0.153 18441 4042 1 11 . 1 1 61 61 ALA H H 61 7.664 7.664 7.481 0.183 18441 4043 1 11 . 1 1 62 62 ILE N N 62 115.525 115.525 117.996 -2.471 18441 4044 1 11 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.999 0.683 18441 4045 1 11 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.621 -0.201 18441 4046 1 11 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.868 2.287 18441 4047 1 11 . 1 1 62 62 ILE H H 62 7.653 7.653 7.685 -0.032 18441 4048 1 11 . 1 1 63 63 ARG N N 63 121.016 121.016 119.666 1.350 18441 4049 1 11 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.413 0.061 18441 4050 1 11 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.561 0.809 18441 4051 1 11 . 1 1 63 63 ARG H H 63 6.917 6.917 7.191 -0.274 18441 4052 1 11 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.129 0.182 18441 4053 1 11 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.653 0.087 18441 4054 1 11 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.009 1.179 18441 4055 1 11 . 1 1 65 65 LEU N N 65 114.713 114.713 115.542 -0.829 18441 4056 1 11 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.072 -0.152 18441 4057 1 11 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.069 -0.409 18441 4058 1 11 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.875 0.233 18441 4059 1 11 . 1 1 65 65 LEU H H 65 8.074 8.074 7.428 0.646 18441 4060 1 11 . 1 1 66 66 ILE N N 66 120.129 120.129 118.964 1.165 18441 4061 1 11 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.111 0.194 18441 4062 1 11 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.180 -4.420 18441 4063 1 11 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.435 -0.791 18441 4064 1 11 . 1 1 66 66 ILE H H 66 7.398 7.398 7.536 -0.138 18441 4065 1 11 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.320 -0.015 18441 4066 1 11 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.720 0.920 18441 4067 1 11 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.315 0.974 18441 4068 1 11 . 1 1 68 68 LEU N N 68 124.673 124.673 123.540 1.133 18441 4069 1 11 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.980 -0.130 18441 4070 1 11 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.482 0.138 18441 4071 1 11 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.977 0.490 18441 4072 1 11 . 1 1 68 68 LEU H H 68 8.471 8.471 8.346 0.125 18441 4073 1 11 . 1 1 69 69 LYS N N 69 115.247 115.247 118.795 -3.548 18441 4074 1 11 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.068 0.101 18441 4075 1 11 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.582 -0.562 18441 4076 1 11 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.910 0.596 18441 4077 1 11 . 1 1 69 69 LYS H H 69 8.536 8.536 8.483 0.053 18441 4078 1 11 . 1 1 70 70 HIS N N 70 118.849 118.849 117.201 1.648 18441 4079 1 11 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.345 0.880 18441 4080 1 11 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.675 -3.786 18441 4081 1 11 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.762 5.276 18441 4082 1 11 . 1 1 70 70 HIS H H 70 8.060 8.060 8.532 -0.472 18441 4083 1 11 . 1 1 71 71 GLN N N 71 122.130 122.130 119.334 2.796 18441 4084 1 11 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.018 -0.319 18441 4085 1 11 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.621 2.069 18441 4086 1 11 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.762 0.488 18441 4087 1 11 . 1 1 71 71 GLN H H 71 7.732 7.732 8.451 -0.719 18441 4088 1 11 . 1 1 72 72 VAL N N 72 119.182 119.182 119.944 -0.762 18441 4089 1 11 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.710 0.098 18441 4090 1 11 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.912 0.308 18441 4091 1 11 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.473 0.341 18441 4092 1 11 . 1 1 72 72 VAL H H 72 8.203 8.203 7.752 0.451 18441 4093 1 11 . 1 1 73 73 GLU N N 73 121.878 121.878 120.305 1.573 18441 4094 1 11 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.230 -0.252 18441 4095 1 11 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.178 0.922 18441 4096 1 11 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.829 0.831 18441 4097 1 11 . 1 1 73 73 GLU H H 73 8.136 8.136 7.833 0.303 18441 4098 1 11 . 1 1 74 74 TYR N N 74 119.780 119.780 120.782 -1.002 18441 4099 1 11 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.115 -0.438 18441 4100 1 11 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.476 1.834 18441 4101 1 11 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.330 1.690 18441 4102 1 11 . 1 1 74 74 TYR H H 74 8.491 8.491 8.497 -0.006 18441 4103 1 11 . 1 1 75 75 ASP N N 75 120.231 120.231 118.712 1.519 18441 4104 1 11 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.426 -0.283 18441 4105 1 11 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.692 -0.132 18441 4106 1 11 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.669 -0.091 18441 4107 1 11 . 1 1 75 75 ASP H H 75 8.566 8.566 8.058 0.508 18441 4108 1 11 . 1 1 76 76 GLN N N 76 118.324 118.324 118.377 -0.053 18441 4109 1 11 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.118 -0.062 18441 4110 1 11 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.121 0.309 18441 4111 1 11 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.745 0.685 18441 4112 1 11 . 1 1 76 76 GLN H H 76 7.844 7.844 7.875 -0.031 18441 4113 1 11 . 1 1 77 77 LEU N N 77 117.932 117.932 116.918 1.014 18441 4114 1 11 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.407 -0.210 18441 4115 1 11 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.696 0.214 18441 4116 1 11 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.482 2.922 18441 4117 1 11 . 1 1 77 77 LEU H H 77 7.665 7.665 7.580 0.085 18441 4118 1 11 . 1 1 78 78 THR N N 78 110.323 110.323 112.270 -1.947 18441 4119 1 11 . 1 1 78 78 THR HA H 78 3.709 3.709 4.120 -0.411 18441 4120 1 11 . 1 1 78 78 THR CA C 78 59.750 59.750 65.653 -5.903 18441 4121 1 11 . 1 1 78 78 THR CB C 78 69.110 69.110 67.646 1.464 18441 4122 1 11 . 1 1 78 78 THR H H 78 7.130 7.130 7.607 -0.477 18441 4123 1 11 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.243 0.003 18441 4124 1 11 . 1 1 79 79 PRO CA C 79 63.680 63.680 64.432 -0.752 18441 4125 1 11 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.749 0.642 18441 4126 1 12 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.932 -0.402 18441 4127 1 12 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.959 1.631 18441 4128 1 12 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.336 0.357 18441 4129 1 12 . 1 1 3 3 ARG N N 3 121.498 121.498 121.011 0.487 18441 4130 1 12 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.228 0.013 18441 4131 1 12 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.310 -0.640 18441 4132 1 12 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.658 -0.148 18441 4133 1 12 . 1 1 3 3 ARG H H 3 8.382 8.382 8.296 0.086 18441 4134 1 12 . 1 1 4 4 LYS N N 4 122.257 122.257 120.135 2.122 18441 4135 1 12 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.121 -0.063 18441 4136 1 12 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.368 0.342 18441 4137 1 12 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.887 1.389 18441 4138 1 12 . 1 1 4 4 LYS H H 4 8.226 8.226 8.486 -0.260 18441 4139 1 12 . 1 1 5 5 VAL N N 5 120.494 120.494 118.023 2.471 18441 4140 1 12 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.851 -0.130 18441 4141 1 12 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.964 0.686 18441 4142 1 12 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.131 0.943 18441 4143 1 12 . 1 1 5 5 VAL H H 5 8.109 8.109 8.069 0.040 18441 4144 1 12 . 1 1 6 6 ALA N N 6 123.149 123.149 123.001 0.148 18441 4145 1 12 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.208 -0.173 18441 4146 1 12 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.138 0.752 18441 4147 1 12 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.373 0.887 18441 4148 1 12 . 1 1 6 6 ALA H H 6 8.374 8.374 7.846 0.528 18441 4149 1 12 . 1 1 7 7 ARG N N 7 119.587 119.587 118.538 1.049 18441 4150 1 12 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.892 0.109 18441 4151 1 12 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.455 0.315 18441 4152 1 12 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.237 0.533 18441 4153 1 12 . 1 1 7 7 ARG H H 7 7.992 7.992 7.978 0.014 18441 4154 1 12 . 1 1 8 8 GLU N N 8 119.745 119.745 119.935 -0.190 18441 4155 1 12 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.112 -0.054 18441 4156 1 12 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.759 0.011 18441 4157 1 12 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.850 0.100 18441 4158 1 12 . 1 1 8 8 GLU H H 8 8.165 8.165 8.280 -0.115 18441 4159 1 12 . 1 1 9 9 PHE N N 9 121.436 121.436 119.633 1.803 18441 4160 1 12 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.384 -0.257 18441 4161 1 12 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.919 3.101 18441 4162 1 12 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.675 0.948 18441 4163 1 12 . 1 1 9 9 PHE H H 9 8.180 8.180 8.459 -0.279 18441 4164 1 12 . 1 1 10 10 ARG N N 10 119.028 119.028 120.024 -0.996 18441 4165 1 12 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.550 0.311 18441 4166 1 12 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.257 0.323 18441 4167 1 12 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.409 0.911 18441 4168 1 12 . 1 1 10 10 ARG H H 10 7.910 7.910 7.954 -0.044 18441 4169 1 12 . 1 1 11 11 HIS N N 11 116.563 116.563 118.736 -2.173 18441 4170 1 12 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.260 0.196 18441 4171 1 12 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.976 0.204 18441 4172 1 12 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.926 0.104 18441 4173 1 12 . 1 1 11 11 HIS H H 11 8.001 8.001 8.177 -0.176 18441 4174 1 12 . 1 1 12 12 LYS N N 12 120.773 120.773 118.699 2.074 18441 4175 1 12 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.994 0.014 18441 4176 1 12 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.668 0.312 18441 4177 1 12 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.487 0.206 18441 4178 1 12 . 1 1 12 12 LYS H H 12 7.796 7.796 7.745 0.051 18441 4179 1 12 . 1 1 13 13 VAL N N 13 120.125 120.125 120.060 0.065 18441 4180 1 12 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.602 -0.491 18441 4181 1 12 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.613 0.567 18441 4182 1 12 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.797 0.343 18441 4183 1 12 . 1 1 13 13 VAL H H 13 7.821 7.821 7.861 -0.040 18441 4184 1 12 . 1 1 14 14 ASP N N 14 117.462 117.462 119.215 -1.753 18441 4185 1 12 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.354 -0.092 18441 4186 1 12 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.028 0.373 18441 4187 1 12 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.895 0.419 18441 4188 1 12 . 1 1 14 14 ASP H H 14 8.276 8.276 7.776 0.500 18441 4189 1 12 . 1 1 15 15 PHE N N 15 117.914 117.914 119.071 -1.157 18441 4190 1 12 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.353 0.009 18441 4191 1 12 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.215 -0.025 18441 4192 1 12 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.471 1.227 18441 4193 1 12 . 1 1 15 15 PHE H H 15 7.664 7.664 7.750 -0.086 18441 4194 1 12 . 1 1 16 16 LEU N N 16 116.737 116.737 117.181 -0.444 18441 4195 1 12 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.180 0.054 18441 4196 1 12 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.674 1.746 18441 4197 1 12 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.585 2.493 18441 4198 1 12 . 1 1 16 16 LEU H H 16 7.658 7.658 7.798 -0.140 18441 4199 1 12 . 1 1 17 17 ILE N N 17 120.533 120.533 117.402 3.131 18441 4200 1 12 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.404 -0.296 18441 4201 1 12 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.897 1.643 18441 4202 1 12 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.013 1.344 18441 4203 1 12 . 1 1 17 17 ILE H H 17 8.336 8.336 7.196 1.140 18441 4204 1 12 . 1 1 18 18 GLU N N 18 124.531 124.531 123.674 0.857 18441 4205 1 12 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.038 0.172 18441 4206 1 12 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.449 0.151 18441 4207 1 12 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.865 1.145 18441 4208 1 12 . 1 1 18 18 GLU H H 18 8.276 8.276 8.562 -0.286 18441 4209 1 12 . 1 1 19 19 ASN N N 19 117.630 117.630 117.624 0.006 18441 4210 1 12 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.628 0.177 18441 4211 1 12 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.153 -0.415 18441 4212 1 12 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.573 1.605 18441 4213 1 12 . 1 1 19 19 ASN H H 19 7.700 7.700 8.250 -0.550 18441 4214 1 12 . 1 1 20 20 ASP N N 20 127.428 127.428 120.254 7.174 18441 4215 1 12 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.545 -0.296 18441 4216 1 12 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.067 2.783 18441 4217 1 12 . 1 1 20 20 ASP CB C 20 41.314 41.314 40.535 0.778 18441 4218 1 12 . 1 1 20 20 ASP H H 20 8.998 8.998 8.482 0.516 18441 4219 1 12 . 1 1 21 21 ALA N N 21 122.271 122.271 122.840 -0.569 18441 4220 1 12 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.068 0.192 18441 4221 1 12 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.300 0.700 18441 4222 1 12 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.370 0.280 18441 4223 1 12 . 1 1 21 21 ALA H H 21 8.346 8.346 8.156 0.190 18441 4224 1 12 . 1 1 22 22 GLU N N 22 118.716 118.716 118.509 0.207 18441 4225 1 12 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.943 0.171 18441 4226 1 12 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.870 0.490 18441 4227 1 12 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.994 2.779 18441 4228 1 12 . 1 1 22 22 GLU H H 22 7.724 7.724 8.764 -1.040 18441 4229 1 12 . 1 1 23 23 LYS N N 23 121.088 121.088 117.156 3.932 18441 4230 1 12 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.721 0.090 18441 4231 1 12 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.082 2.588 18441 4232 1 12 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.706 1.364 18441 4233 1 12 . 1 1 23 23 LYS H H 23 7.618 7.618 7.942 -0.324 18441 4234 1 12 . 1 1 24 24 ASP N N 24 119.010 119.010 120.545 -1.535 18441 4235 1 12 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.515 -0.026 18441 4236 1 12 . 1 1 24 24 ASP CA C 24 58.510 58.510 56.862 1.648 18441 4237 1 12 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.603 0.234 18441 4238 1 12 . 1 1 24 24 ASP H H 24 8.424 8.424 7.534 0.890 18441 4239 1 12 . 1 1 25 25 TYR N N 25 120.417 120.417 120.691 -0.274 18441 4240 1 12 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.119 0.124 18441 4241 1 12 . 1 1 25 25 TYR CA C 25 62.190 62.190 62.135 0.055 18441 4242 1 12 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.657 -0.158 18441 4243 1 12 . 1 1 25 25 TYR H H 25 7.676 7.676 8.238 -0.562 18441 4244 1 12 . 1 1 26 26 LEU N N 26 120.960 120.960 119.535 1.425 18441 4245 1 12 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.904 -0.303 18441 4246 1 12 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.574 0.866 18441 4247 1 12 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.591 0.560 18441 4248 1 12 . 1 1 26 26 LEU H H 26 7.965 7.965 7.926 0.039 18441 4249 1 12 . 1 1 27 27 TYR N N 27 116.521 116.521 117.989 -1.468 18441 4250 1 12 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.108 -0.332 18441 4251 1 12 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.125 5.285 18441 4252 1 12 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.128 1.275 18441 4253 1 12 . 1 1 27 27 TYR H H 27 8.097 8.097 8.004 0.093 18441 4254 1 12 . 1 1 28 28 ASP N N 28 123.384 123.384 119.560 3.824 18441 4255 1 12 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.451 0.025 18441 4256 1 12 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.754 0.786 18441 4257 1 12 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.887 0.507 18441 4258 1 12 . 1 1 28 28 ASP H H 28 8.355 8.355 7.853 0.502 18441 4259 1 12 . 1 1 29 29 VAL N N 29 121.272 121.272 120.284 0.988 18441 4260 1 12 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.793 -0.080 18441 4261 1 12 . 1 1 29 29 VAL CA C 29 66.650 66.650 65.647 1.003 18441 4262 1 12 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.323 0.595 18441 4263 1 12 . 1 1 29 29 VAL H H 29 8.252 8.252 7.906 0.346 18441 4264 1 12 . 1 1 30 30 LEU N N 30 122.443 122.443 120.263 2.180 18441 4265 1 12 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.070 -0.027 18441 4266 1 12 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.631 0.249 18441 4267 1 12 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.352 0.929 18441 4268 1 12 . 1 1 30 30 LEU H H 30 7.987 7.987 8.316 -0.329 18441 4269 1 12 . 1 1 31 31 ARG N N 31 122.386 122.386 118.656 3.730 18441 4270 1 12 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.068 -0.052 18441 4271 1 12 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.184 1.196 18441 4272 1 12 . 1 1 31 31 ARG CB C 31 30.400 30.400 29.972 0.428 18441 4273 1 12 . 1 1 31 31 ARG H H 31 8.637 8.637 8.115 0.522 18441 4274 1 12 . 1 1 32 32 MET N N 32 120.006 120.006 119.362 0.644 18441 4275 1 12 . 1 1 32 32 MET HA H 32 4.359 4.359 4.171 0.188 18441 4276 1 12 . 1 1 32 32 MET CA C 32 58.490 58.490 59.096 -0.606 18441 4277 1 12 . 1 1 32 32 MET CB C 32 31.677 31.677 32.133 -0.456 18441 4278 1 12 . 1 1 32 32 MET H H 32 8.327 8.327 8.191 0.136 18441 4279 1 12 . 1 1 33 33 TYR N N 33 123.220 123.220 121.375 1.845 18441 4280 1 12 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.339 0.385 18441 4281 1 12 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.246 0.754 18441 4282 1 12 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.758 1.929 18441 4283 1 12 . 1 1 33 33 TYR H H 33 8.054 8.054 8.519 -0.465 18441 4284 1 12 . 1 1 34 34 HIS N N 34 120.860 120.860 117.202 3.658 18441 4285 1 12 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.106 -0.330 18441 4286 1 12 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.398 1.312 18441 4287 1 12 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.196 1.196 18441 4288 1 12 . 1 1 34 34 HIS H H 34 8.548 8.548 8.045 0.503 18441 4289 1 12 . 1 1 35 35 GLN N N 35 113.582 113.582 118.701 -5.119 18441 4290 1 12 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.228 -0.228 18441 4291 1 12 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.588 0.092 18441 4292 1 12 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.649 0.901 18441 4293 1 12 . 1 1 35 35 GLN H H 35 7.542 7.542 8.485 -0.943 18441 4294 1 12 . 1 1 36 36 THR N N 36 111.117 111.117 109.454 1.663 18441 4295 1 12 . 1 1 36 36 THR HA H 36 4.214 4.214 4.308 -0.094 18441 4296 1 12 . 1 1 36 36 THR CA C 36 63.980 63.980 62.711 1.269 18441 4297 1 12 . 1 1 36 36 THR CB C 36 71.670 71.670 70.072 1.598 18441 4298 1 12 . 1 1 36 36 THR H H 36 8.569 8.569 8.457 0.112 18441 4299 1 12 . 1 1 37 37 MET N N 37 120.444 120.444 117.437 3.007 18441 4300 1 12 . 1 1 37 37 MET HA H 37 3.740 3.740 4.179 -0.439 18441 4301 1 12 . 1 1 37 37 MET CA C 37 56.430 56.430 56.886 -0.456 18441 4302 1 12 . 1 1 37 37 MET CB C 37 31.399 31.399 30.404 0.995 18441 4303 1 12 . 1 1 37 37 MET H H 37 9.542 9.542 7.639 1.903 18441 4304 1 12 . 1 1 38 38 ASP N N 38 117.020 117.020 121.077 -4.057 18441 4305 1 12 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.868 0.076 18441 4306 1 12 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.507 -0.031 18441 4307 1 12 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.187 -0.147 18441 4308 1 12 . 1 1 38 38 ASP H H 38 7.456 7.456 7.750 -0.294 18441 4309 1 12 . 1 1 39 39 VAL N N 39 128.507 128.507 124.042 4.465 18441 4310 1 12 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.583 0.248 18441 4311 1 12 . 1 1 39 39 VAL CA C 39 64.840 64.840 65.027 -0.187 18441 4312 1 12 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.482 1.218 18441 4313 1 12 . 1 1 39 39 VAL H H 39 8.425 8.425 8.639 -0.214 18441 4314 1 12 . 1 1 40 40 ALA N N 40 125.621 125.621 123.181 2.440 18441 4315 1 12 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.095 -0.108 18441 4316 1 12 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.078 0.782 18441 4317 1 12 . 1 1 40 40 ALA CB C 40 18.470 18.470 17.928 0.542 18441 4318 1 12 . 1 1 40 40 ALA H H 40 7.998 7.998 8.279 -0.281 18441 4319 1 12 . 1 1 41 41 VAL N N 41 122.132 122.132 119.462 2.670 18441 4320 1 12 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.801 -0.230 18441 4321 1 12 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.013 1.667 18441 4322 1 12 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.318 1.384 18441 4323 1 12 . 1 1 41 41 VAL H H 41 7.663 7.663 8.031 -0.368 18441 4324 1 12 . 1 1 42 42 LEU N N 42 120.190 120.190 119.144 1.046 18441 4325 1 12 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.144 0.116 18441 4326 1 12 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.398 0.592 18441 4327 1 12 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.823 -0.118 18441 4328 1 12 . 1 1 42 42 LEU H H 42 7.361 7.361 7.316 0.045 18441 4329 1 12 . 1 1 43 43 VAL N N 43 116.802 116.802 120.092 -3.290 18441 4330 1 12 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.424 -0.007 18441 4331 1 12 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.844 1.936 18441 4332 1 12 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.772 1.208 18441 4333 1 12 . 1 1 43 43 VAL H H 43 8.062 8.062 7.644 0.418 18441 4334 1 12 . 1 1 44 44 GLY N N 44 106.242 106.242 107.895 -1.653 18441 4335 1 12 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.420 0.896 18441 4336 1 12 . 1 1 44 44 GLY H H 44 7.901 7.901 7.905 -0.004 18441 4337 1 12 . 1 1 45 45 ASP N N 45 123.359 123.359 123.295 0.064 18441 4338 1 12 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.533 0.132 18441 4339 1 12 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.429 0.331 18441 4340 1 12 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.594 0.274 18441 4341 1 12 . 1 1 45 45 ASP H H 45 8.680 8.680 7.869 0.811 18441 4342 1 12 . 1 1 46 46 LEU N N 46 123.201 123.201 120.575 2.626 18441 4343 1 12 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.926 0.140 18441 4344 1 12 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.137 -0.017 18441 4345 1 12 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.000 0.999 18441 4346 1 12 . 1 1 46 46 LEU H H 46 9.018 9.018 8.432 0.586 18441 4347 1 12 . 1 1 47 47 LYS N N 47 119.196 119.196 119.304 -0.108 18441 4348 1 12 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.002 -0.032 18441 4349 1 12 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.447 0.843 18441 4350 1 12 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.068 1.073 18441 4351 1 12 . 1 1 47 47 LYS H H 47 8.017 8.017 7.780 0.237 18441 4352 1 12 . 1 1 48 48 LEU N N 48 116.358 116.358 119.477 -3.119 18441 4353 1 12 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.195 -0.034 18441 4354 1 12 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.455 0.215 18441 4355 1 12 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.187 -0.027 18441 4356 1 12 . 1 1 48 48 LEU H H 48 7.143 7.143 7.476 -0.333 18441 4357 1 12 . 1 1 49 49 VAL N N 49 112.662 112.662 114.973 -2.311 18441 4358 1 12 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.053 0.420 18441 4359 1 12 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.859 -0.799 18441 4360 1 12 . 1 1 49 49 VAL CB C 49 35.166 35.166 33.065 2.102 18441 4361 1 12 . 1 1 49 49 VAL H H 49 7.266 7.266 7.570 -0.304 18441 4362 1 12 . 1 1 50 50 ILE N N 50 124.631 124.631 119.262 5.369 18441 4363 1 12 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.276 -0.431 18441 4364 1 12 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.666 0.924 18441 4365 1 12 . 1 1 50 50 ILE CB C 50 35.161 35.161 39.051 -3.890 18441 4366 1 12 . 1 1 50 50 ILE H H 50 8.475 8.475 7.533 0.942 18441 4367 1 12 . 1 1 51 51 ASN N N 51 119.027 119.027 119.237 -0.210 18441 4368 1 12 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.478 0.229 18441 4369 1 12 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.411 0.037 18441 4370 1 12 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.372 0.589 18441 4371 1 12 . 1 1 51 51 ASN H H 51 7.347 7.347 8.030 -0.683 18441 4372 1 12 . 1 1 52 52 GLU N N 52 115.889 115.889 118.711 -2.822 18441 4373 1 12 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.667 0.221 18441 4374 1 12 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.725 2.059 18441 4375 1 12 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.704 -0.684 18441 4376 1 12 . 1 1 52 52 GLU H H 52 7.438 7.438 7.494 -0.056 18441 4377 1 12 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.125 0.085 18441 4378 1 12 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.709 1.252 18441 4379 1 12 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.798 1.150 18441 4380 1 12 . 1 1 54 54 SER N N 54 113.711 113.711 111.929 1.782 18441 4381 1 12 . 1 1 54 54 SER HA H 54 4.173 4.173 4.272 -0.099 18441 4382 1 12 . 1 1 54 54 SER CA C 54 61.650 61.650 61.409 0.241 18441 4383 1 12 . 1 1 54 54 SER CB C 54 62.930 62.930 63.180 -0.250 18441 4384 1 12 . 1 1 54 54 SER H H 54 8.946 8.946 8.415 0.531 18441 4385 1 12 . 1 1 55 55 ARG N N 55 116.455 116.455 119.455 -3.000 18441 4386 1 12 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.345 0.059 18441 4387 1 12 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.794 0.516 18441 4388 1 12 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.301 3.311 18441 4389 1 12 . 1 1 55 55 ARG H H 55 7.759 7.759 7.701 0.058 18441 4390 1 12 . 1 1 56 56 LEU N N 56 121.468 121.468 123.160 -1.692 18441 4391 1 12 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.195 -0.060 18441 4392 1 12 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.933 -0.033 18441 4393 1 12 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.491 1.506 18441 4394 1 12 . 1 1 56 56 LEU H H 56 7.472 7.472 8.335 -0.863 18441 4395 1 12 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.202 0.494 18441 4396 1 12 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.403 -0.222 18441 4397 1 12 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.182 1.208 18441 4398 1 12 . 1 1 58 58 LEU N N 58 119.923 119.923 117.179 2.744 18441 4399 1 12 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.194 -0.144 18441 4400 1 12 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.233 1.087 18441 4401 1 12 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.488 0.540 18441 4402 1 12 . 1 1 58 58 LEU H H 58 8.734 8.734 7.600 1.134 18441 4403 1 12 . 1 1 59 59 PHE N N 59 116.632 116.632 121.424 -4.792 18441 4404 1 12 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.302 0.177 18441 4405 1 12 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.678 1.402 18441 4406 1 12 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.056 -0.204 18441 4407 1 12 . 1 1 59 59 PHE H H 59 8.312 8.312 8.803 -0.491 18441 4408 1 12 . 1 1 60 60 ASP N N 60 120.603 120.603 118.534 2.069 18441 4409 1 12 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.353 0.318 18441 4410 1 12 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.568 1.302 18441 4411 1 12 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.373 1.168 18441 4412 1 12 . 1 1 60 60 ASP H H 60 7.462 7.462 7.863 -0.401 18441 4413 1 12 . 1 1 61 61 ALA N N 61 122.470 122.470 121.858 0.612 18441 4414 1 12 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.974 0.287 18441 4415 1 12 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.304 0.242 18441 4416 1 12 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.713 0.167 18441 4417 1 12 . 1 1 61 61 ALA H H 61 7.664 7.664 7.537 0.127 18441 4418 1 12 . 1 1 62 62 ILE N N 62 115.525 115.525 117.965 -2.440 18441 4419 1 12 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.884 0.798 18441 4420 1 12 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.412 0.008 18441 4421 1 12 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.951 2.204 18441 4422 1 12 . 1 1 62 62 ILE H H 62 7.653 7.653 7.565 0.088 18441 4423 1 12 . 1 1 63 63 ARG N N 63 121.016 121.016 119.910 1.106 18441 4424 1 12 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.463 0.011 18441 4425 1 12 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.645 0.725 18441 4426 1 12 . 1 1 63 63 ARG H H 63 6.917 6.917 7.172 -0.255 18441 4427 1 12 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.079 0.232 18441 4428 1 12 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.618 0.122 18441 4429 1 12 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.145 1.042 18441 4430 1 12 . 1 1 65 65 LEU N N 65 114.713 114.713 115.903 -1.190 18441 4431 1 12 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.074 -0.154 18441 4432 1 12 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.099 -0.439 18441 4433 1 12 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.849 0.259 18441 4434 1 12 . 1 1 65 65 LEU H H 65 8.074 8.074 7.541 0.533 18441 4435 1 12 . 1 1 66 66 ILE N N 66 120.129 120.129 118.879 1.250 18441 4436 1 12 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.107 0.198 18441 4437 1 12 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.852 -5.092 18441 4438 1 12 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.476 -0.832 18441 4439 1 12 . 1 1 66 66 ILE H H 66 7.398 7.398 7.516 -0.118 18441 4440 1 12 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.329 -0.024 18441 4441 1 12 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.718 0.922 18441 4442 1 12 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.404 0.885 18441 4443 1 12 . 1 1 68 68 LEU N N 68 124.673 124.673 123.409 1.264 18441 4444 1 12 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.971 -0.121 18441 4445 1 12 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.393 0.227 18441 4446 1 12 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.936 0.531 18441 4447 1 12 . 1 1 68 68 LEU H H 68 8.471 8.471 8.336 0.135 18441 4448 1 12 . 1 1 69 69 LYS N N 69 115.247 115.247 118.800 -3.553 18441 4449 1 12 . 1 1 69 69 LYS HA H 69 4.169 4.169 3.972 0.197 18441 4450 1 12 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.322 -0.302 18441 4451 1 12 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.929 0.577 18441 4452 1 12 . 1 1 69 69 LYS H H 69 8.536 8.536 8.370 0.166 18441 4453 1 12 . 1 1 70 70 HIS N N 70 118.849 118.849 116.871 1.978 18441 4454 1 12 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.363 0.862 18441 4455 1 12 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.068 -3.179 18441 4456 1 12 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.500 5.537 18441 4457 1 12 . 1 1 70 70 HIS H H 70 8.060 8.060 8.287 -0.227 18441 4458 1 12 . 1 1 71 71 GLN N N 71 122.130 122.130 120.077 2.053 18441 4459 1 12 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.003 -0.304 18441 4460 1 12 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.373 2.317 18441 4461 1 12 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.836 0.414 18441 4462 1 12 . 1 1 71 71 GLN H H 71 7.732 7.732 8.253 -0.521 18441 4463 1 12 . 1 1 72 72 VAL N N 72 119.182 119.182 120.294 -1.112 18441 4464 1 12 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.703 0.105 18441 4465 1 12 . 1 1 72 72 VAL CA C 72 67.220 67.220 65.850 1.370 18441 4466 1 12 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.878 -0.064 18441 4467 1 12 . 1 1 72 72 VAL H H 72 8.203 8.203 7.855 0.348 18441 4468 1 12 . 1 1 73 73 GLU N N 73 121.878 121.878 120.183 1.695 18441 4469 1 12 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.031 -0.053 18441 4470 1 12 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.150 0.950 18441 4471 1 12 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.332 1.328 18441 4472 1 12 . 1 1 73 73 GLU H H 73 8.136 8.136 7.830 0.306 18441 4473 1 12 . 1 1 74 74 TYR N N 74 119.780 119.780 120.687 -0.907 18441 4474 1 12 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.107 -0.430 18441 4475 1 12 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.412 1.898 18441 4476 1 12 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.323 1.697 18441 4477 1 12 . 1 1 74 74 TYR H H 74 8.491 8.491 8.071 0.420 18441 4478 1 12 . 1 1 75 75 ASP N N 75 120.231 120.231 119.423 0.808 18441 4479 1 12 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.523 -0.380 18441 4480 1 12 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.662 -0.102 18441 4481 1 12 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.449 0.129 18441 4482 1 12 . 1 1 75 75 ASP H H 75 8.566 8.566 8.113 0.453 18441 4483 1 12 . 1 1 76 76 GLN N N 76 118.324 118.324 119.099 -0.775 18441 4484 1 12 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.144 -0.088 18441 4485 1 12 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.606 -0.176 18441 4486 1 12 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.817 0.613 18441 4487 1 12 . 1 1 76 76 GLN H H 76 7.844 7.844 7.875 -0.031 18441 4488 1 12 . 1 1 77 77 LEU N N 77 117.932 117.932 118.466 -0.534 18441 4489 1 12 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.222 -0.025 18441 4490 1 12 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.556 -0.646 18441 4491 1 12 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.038 3.366 18441 4492 1 12 . 1 1 77 77 LEU H H 77 7.665 7.665 7.666 -0.001 18441 4493 1 12 . 1 1 78 78 THR N N 78 110.323 110.323 111.080 -0.757 18441 4494 1 12 . 1 1 78 78 THR HA H 78 3.709 3.709 4.280 -0.571 18441 4495 1 12 . 1 1 78 78 THR CA C 78 59.750 59.750 65.683 -5.934 18441 4496 1 12 . 1 1 78 78 THR CB C 78 69.110 69.110 67.051 2.059 18441 4497 1 12 . 1 1 78 78 THR H H 78 7.130 7.130 7.904 -0.774 18441 4498 1 12 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.420 -0.174 18441 4499 1 12 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.331 0.349 18441 4500 1 12 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.086 0.305 18441 4501 1 13 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.628 -0.098 18441 4502 1 13 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.441 1.149 18441 4503 1 13 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.453 0.240 18441 4504 1 13 . 1 1 3 3 ARG N N 3 121.498 121.498 122.041 -0.543 18441 4505 1 13 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.244 -0.003 18441 4506 1 13 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.270 0.400 18441 4507 1 13 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.983 -0.473 18441 4508 1 13 . 1 1 3 3 ARG H H 3 8.382 8.382 8.028 0.354 18441 4509 1 13 . 1 1 4 4 LYS N N 4 122.257 122.257 121.018 1.239 18441 4510 1 13 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.117 -0.059 18441 4511 1 13 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.074 0.636 18441 4512 1 13 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.552 1.724 18441 4513 1 13 . 1 1 4 4 LYS H H 4 8.226 8.226 8.501 -0.275 18441 4514 1 13 . 1 1 5 5 VAL N N 5 120.494 120.494 117.714 2.780 18441 4515 1 13 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.869 -0.148 18441 4516 1 13 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.202 1.448 18441 4517 1 13 . 1 1 5 5 VAL CB C 5 32.074 32.074 30.995 1.079 18441 4518 1 13 . 1 1 5 5 VAL H H 5 8.109 8.109 8.054 0.055 18441 4519 1 13 . 1 1 6 6 ALA N N 6 123.149 123.149 123.194 -0.045 18441 4520 1 13 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.234 -0.199 18441 4521 1 13 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.238 0.652 18441 4522 1 13 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.377 0.883 18441 4523 1 13 . 1 1 6 6 ALA H H 6 8.374 8.374 7.641 0.733 18441 4524 1 13 . 1 1 7 7 ARG N N 7 119.587 119.587 118.713 0.874 18441 4525 1 13 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.900 0.101 18441 4526 1 13 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.390 0.380 18441 4527 1 13 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.171 0.600 18441 4528 1 13 . 1 1 7 7 ARG H H 7 7.992 7.992 7.807 0.185 18441 4529 1 13 . 1 1 8 8 GLU N N 8 119.745 119.745 120.339 -0.594 18441 4530 1 13 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.133 -0.075 18441 4531 1 13 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.602 0.168 18441 4532 1 13 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.907 0.043 18441 4533 1 13 . 1 1 8 8 GLU H H 8 8.165 8.165 8.308 -0.143 18441 4534 1 13 . 1 1 9 9 PHE N N 9 121.436 121.436 119.525 1.911 18441 4535 1 13 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.363 -0.236 18441 4536 1 13 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.995 3.025 18441 4537 1 13 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.547 1.076 18441 4538 1 13 . 1 1 9 9 PHE H H 9 8.180 8.180 8.316 -0.136 18441 4539 1 13 . 1 1 10 10 ARG N N 10 119.028 119.028 119.944 -0.916 18441 4540 1 13 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.481 0.380 18441 4541 1 13 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.195 0.385 18441 4542 1 13 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.410 0.910 18441 4543 1 13 . 1 1 10 10 ARG H H 10 7.910 7.910 7.946 -0.036 18441 4544 1 13 . 1 1 11 11 HIS N N 11 116.563 116.563 118.694 -2.131 18441 4545 1 13 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.261 0.195 18441 4546 1 13 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.979 0.201 18441 4547 1 13 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.925 0.105 18441 4548 1 13 . 1 1 11 11 HIS H H 11 8.001 8.001 8.137 -0.136 18441 4549 1 13 . 1 1 12 12 LYS N N 12 120.773 120.773 118.680 2.093 18441 4550 1 13 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.854 0.154 18441 4551 1 13 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.586 0.394 18441 4552 1 13 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.394 0.299 18441 4553 1 13 . 1 1 12 12 LYS H H 12 7.796 7.796 7.690 0.106 18441 4554 1 13 . 1 1 13 13 VAL N N 13 120.125 120.125 119.851 0.274 18441 4555 1 13 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.668 -0.557 18441 4556 1 13 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.221 0.959 18441 4557 1 13 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.733 0.407 18441 4558 1 13 . 1 1 13 13 VAL H H 13 7.821 7.821 7.817 0.004 18441 4559 1 13 . 1 1 14 14 ASP N N 14 117.462 117.462 119.147 -1.685 18441 4560 1 13 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.329 -0.067 18441 4561 1 13 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.226 0.174 18441 4562 1 13 . 1 1 14 14 ASP CB C 14 41.314 41.314 41.094 0.220 18441 4563 1 13 . 1 1 14 14 ASP H H 14 8.276 8.276 7.834 0.442 18441 4564 1 13 . 1 1 15 15 PHE N N 15 117.914 117.914 118.598 -0.684 18441 4565 1 13 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.332 0.030 18441 4566 1 13 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.667 -0.478 18441 4567 1 13 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.560 1.138 18441 4568 1 13 . 1 1 15 15 PHE H H 15 7.664 7.664 7.734 -0.070 18441 4569 1 13 . 1 1 16 16 LEU N N 16 116.737 116.737 117.540 -0.803 18441 4570 1 13 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.425 -0.191 18441 4571 1 13 . 1 1 16 16 LEU CA C 16 56.420 56.420 55.333 1.087 18441 4572 1 13 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.732 2.346 18441 4573 1 13 . 1 1 16 16 LEU H H 16 7.658 7.658 7.959 -0.301 18441 4574 1 13 . 1 1 17 17 ILE N N 17 120.533 120.533 116.999 3.534 18441 4575 1 13 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.345 -0.237 18441 4576 1 13 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.870 1.670 18441 4577 1 13 . 1 1 17 17 ILE CB C 17 38.357 38.357 36.760 1.597 18441 4578 1 13 . 1 1 17 17 ILE H H 17 8.336 8.336 7.532 0.804 18441 4579 1 13 . 1 1 18 18 GLU N N 18 124.531 124.531 123.465 1.066 18441 4580 1 13 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.017 0.193 18441 4581 1 13 . 1 1 18 18 GLU CA C 18 58.600 58.600 59.148 -0.548 18441 4582 1 13 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.770 1.240 18441 4583 1 13 . 1 1 18 18 GLU H H 18 8.276 8.276 8.626 -0.350 18441 4584 1 13 . 1 1 19 19 ASN N N 19 117.630 117.630 117.260 0.370 18441 4585 1 13 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.537 0.268 18441 4586 1 13 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.470 -0.732 18441 4587 1 13 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.433 1.745 18441 4588 1 13 . 1 1 19 19 ASN H H 19 7.700 7.700 8.077 -0.377 18441 4589 1 13 . 1 1 20 20 ASP N N 20 127.428 127.428 117.766 9.662 18441 4590 1 13 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.713 -0.464 18441 4591 1 13 . 1 1 20 20 ASP CA C 20 58.850 58.850 55.972 2.878 18441 4592 1 13 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.601 -0.287 18441 4593 1 13 . 1 1 20 20 ASP H H 20 8.998 8.998 8.617 0.381 18441 4594 1 13 . 1 1 21 21 ALA N N 21 122.271 122.271 123.612 -1.341 18441 4595 1 13 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.031 0.229 18441 4596 1 13 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.648 0.352 18441 4597 1 13 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.095 0.555 18441 4598 1 13 . 1 1 21 21 ALA H H 21 8.346 8.346 8.129 0.217 18441 4599 1 13 . 1 1 22 22 GLU N N 22 118.716 118.716 118.070 0.646 18441 4600 1 13 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.973 0.141 18441 4601 1 13 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.685 0.674 18441 4602 1 13 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.954 2.818 18441 4603 1 13 . 1 1 22 22 GLU H H 22 7.724 7.724 8.790 -1.066 18441 4604 1 13 . 1 1 23 23 LYS N N 23 121.088 121.088 118.154 2.934 18441 4605 1 13 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.764 0.047 18441 4606 1 13 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.974 2.696 18441 4607 1 13 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.804 1.266 18441 4608 1 13 . 1 1 23 23 LYS H H 23 7.618 7.618 8.152 -0.534 18441 4609 1 13 . 1 1 24 24 ASP N N 24 119.010 119.010 120.447 -1.437 18441 4610 1 13 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.483 0.006 18441 4611 1 13 . 1 1 24 24 ASP CA C 24 58.510 58.510 58.008 0.502 18441 4612 1 13 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.897 -0.060 18441 4613 1 13 . 1 1 24 24 ASP H H 24 8.424 8.424 7.488 0.936 18441 4614 1 13 . 1 1 25 25 TYR N N 25 120.417 120.417 120.444 -0.027 18441 4615 1 13 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.152 0.091 18441 4616 1 13 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.935 0.255 18441 4617 1 13 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.551 -0.052 18441 4618 1 13 . 1 1 25 25 TYR H H 25 7.676 7.676 8.374 -0.698 18441 4619 1 13 . 1 1 26 26 LEU N N 26 120.960 120.960 119.986 0.974 18441 4620 1 13 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.913 -0.312 18441 4621 1 13 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.146 1.294 18441 4622 1 13 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.734 0.417 18441 4623 1 13 . 1 1 26 26 LEU H H 26 7.965 7.965 7.749 0.216 18441 4624 1 13 . 1 1 27 27 TYR N N 27 116.521 116.521 117.669 -1.148 18441 4625 1 13 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.124 -0.348 18441 4626 1 13 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.345 5.065 18441 4627 1 13 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.003 1.400 18441 4628 1 13 . 1 1 27 27 TYR H H 27 8.097 8.097 7.951 0.146 18441 4629 1 13 . 1 1 28 28 ASP N N 28 123.384 123.384 119.251 4.133 18441 4630 1 13 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.397 0.079 18441 4631 1 13 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.249 1.291 18441 4632 1 13 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.454 0.940 18441 4633 1 13 . 1 1 28 28 ASP H H 28 8.355 8.355 7.843 0.512 18441 4634 1 13 . 1 1 29 29 VAL N N 29 121.272 121.272 119.845 1.427 18441 4635 1 13 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.592 0.121 18441 4636 1 13 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.257 -0.607 18441 4637 1 13 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.851 0.067 18441 4638 1 13 . 1 1 29 29 VAL H H 29 8.252 8.252 7.549 0.703 18441 4639 1 13 . 1 1 30 30 LEU N N 30 122.443 122.443 119.544 2.899 18441 4640 1 13 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.011 0.032 18441 4641 1 13 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.362 0.518 18441 4642 1 13 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.424 0.857 18441 4643 1 13 . 1 1 30 30 LEU H H 30 7.987 7.987 7.852 0.135 18441 4644 1 13 . 1 1 31 31 ARG N N 31 122.386 122.386 118.449 3.937 18441 4645 1 13 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.005 0.011 18441 4646 1 13 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.381 0.999 18441 4647 1 13 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.027 0.373 18441 4648 1 13 . 1 1 31 31 ARG H H 31 8.637 8.637 8.180 0.457 18441 4649 1 13 . 1 1 32 32 MET N N 32 120.006 120.006 119.705 0.301 18441 4650 1 13 . 1 1 32 32 MET HA H 32 4.359 4.359 4.220 0.139 18441 4651 1 13 . 1 1 32 32 MET CA C 32 58.490 58.490 58.467 0.023 18441 4652 1 13 . 1 1 32 32 MET CB C 32 31.677 31.677 31.984 -0.307 18441 4653 1 13 . 1 1 32 32 MET H H 32 8.327 8.327 7.871 0.456 18441 4654 1 13 . 1 1 33 33 TYR N N 33 123.220 123.220 119.470 3.750 18441 4655 1 13 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.187 0.537 18441 4656 1 13 . 1 1 33 33 TYR CA C 33 61.000 61.000 61.287 -0.287 18441 4657 1 13 . 1 1 33 33 TYR CB C 33 39.687 39.687 38.158 1.529 18441 4658 1 13 . 1 1 33 33 TYR H H 33 8.054 8.054 8.064 -0.010 18441 4659 1 13 . 1 1 34 34 HIS N N 34 120.860 120.860 118.546 2.314 18441 4660 1 13 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.416 -0.640 18441 4661 1 13 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.753 0.957 18441 4662 1 13 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.527 0.865 18441 4663 1 13 . 1 1 34 34 HIS H H 34 8.548 8.548 8.034 0.514 18441 4664 1 13 . 1 1 35 35 GLN N N 35 113.582 113.582 118.338 -4.756 18441 4665 1 13 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.281 -0.281 18441 4666 1 13 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.674 0.006 18441 4667 1 13 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.378 1.172 18441 4668 1 13 . 1 1 35 35 GLN H H 35 7.542 7.542 8.647 -1.105 18441 4669 1 13 . 1 1 36 36 THR N N 36 111.117 111.117 111.824 -0.707 18441 4670 1 13 . 1 1 36 36 THR HA H 36 4.214 4.214 4.292 -0.078 18441 4671 1 13 . 1 1 36 36 THR CA C 36 63.980 63.980 63.078 0.902 18441 4672 1 13 . 1 1 36 36 THR CB C 36 71.670 71.670 70.037 1.633 18441 4673 1 13 . 1 1 36 36 THR H H 36 8.569 8.569 8.323 0.246 18441 4674 1 13 . 1 1 37 37 MET N N 37 120.444 120.444 117.232 3.212 18441 4675 1 13 . 1 1 37 37 MET HA H 37 3.740 3.740 4.282 -0.542 18441 4676 1 13 . 1 1 37 37 MET CA C 37 56.430 56.430 56.489 -0.059 18441 4677 1 13 . 1 1 37 37 MET CB C 37 31.399 31.399 29.896 1.503 18441 4678 1 13 . 1 1 37 37 MET H H 37 9.542 9.542 8.130 1.412 18441 4679 1 13 . 1 1 38 38 ASP N N 38 117.020 117.020 120.656 -3.636 18441 4680 1 13 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.703 0.241 18441 4681 1 13 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.044 0.432 18441 4682 1 13 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.286 -0.246 18441 4683 1 13 . 1 1 38 38 ASP H H 38 7.456 7.456 7.612 -0.156 18441 4684 1 13 . 1 1 39 39 VAL N N 39 128.507 128.507 125.401 3.106 18441 4685 1 13 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.629 0.202 18441 4686 1 13 . 1 1 39 39 VAL CA C 39 64.840 64.840 63.644 1.196 18441 4687 1 13 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.231 1.469 18441 4688 1 13 . 1 1 39 39 VAL H H 39 8.425 8.425 8.728 -0.303 18441 4689 1 13 . 1 1 40 40 ALA N N 40 125.621 125.621 122.862 2.759 18441 4690 1 13 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.166 -0.179 18441 4691 1 13 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.228 0.632 18441 4692 1 13 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.336 0.134 18441 4693 1 13 . 1 1 40 40 ALA H H 40 7.998 7.998 7.674 0.324 18441 4694 1 13 . 1 1 41 41 VAL N N 41 122.132 122.132 118.936 3.196 18441 4695 1 13 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.729 -0.158 18441 4696 1 13 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.016 0.664 18441 4697 1 13 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.726 0.976 18441 4698 1 13 . 1 1 41 41 VAL H H 41 7.663 7.663 7.627 0.036 18441 4699 1 13 . 1 1 42 42 LEU N N 42 120.190 120.190 120.312 -0.122 18441 4700 1 13 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.926 0.334 18441 4701 1 13 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.857 0.133 18441 4702 1 13 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.734 -1.029 18441 4703 1 13 . 1 1 42 42 LEU H H 42 7.361 7.361 7.454 -0.093 18441 4704 1 13 . 1 1 43 43 VAL N N 43 116.802 116.802 118.399 -1.597 18441 4705 1 13 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.850 -0.433 18441 4706 1 13 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.385 2.395 18441 4707 1 13 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.631 1.349 18441 4708 1 13 . 1 1 43 43 VAL H H 43 8.062 8.062 7.827 0.235 18441 4709 1 13 . 1 1 44 44 GLY N N 44 106.242 106.242 108.051 -1.809 18441 4710 1 13 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.168 1.148 18441 4711 1 13 . 1 1 44 44 GLY H H 44 7.901 7.901 7.769 0.132 18441 4712 1 13 . 1 1 45 45 ASP N N 45 123.359 123.359 123.494 -0.135 18441 4713 1 13 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.551 0.114 18441 4714 1 13 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.910 -0.151 18441 4715 1 13 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.843 0.025 18441 4716 1 13 . 1 1 45 45 ASP H H 45 8.680 8.680 7.783 0.897 18441 4717 1 13 . 1 1 46 46 LEU N N 46 123.201 123.201 120.085 3.116 18441 4718 1 13 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.740 0.326 18441 4719 1 13 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.943 0.177 18441 4720 1 13 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.706 1.293 18441 4721 1 13 . 1 1 46 46 LEU H H 46 9.018 9.018 8.630 0.388 18441 4722 1 13 . 1 1 47 47 LYS N N 47 119.196 119.196 118.936 0.260 18441 4723 1 13 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.011 -0.041 18441 4724 1 13 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.601 0.689 18441 4725 1 13 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.296 0.845 18441 4726 1 13 . 1 1 47 47 LYS H H 47 8.017 8.017 7.669 0.348 18441 4727 1 13 . 1 1 48 48 LEU N N 48 116.358 116.358 120.419 -4.061 18441 4728 1 13 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.036 0.125 18441 4729 1 13 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.798 -0.128 18441 4730 1 13 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.318 -0.158 18441 4731 1 13 . 1 1 48 48 LEU H H 48 7.143 7.143 7.750 -0.607 18441 4732 1 13 . 1 1 49 49 VAL N N 49 112.662 112.662 114.970 -2.308 18441 4733 1 13 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.077 0.396 18441 4734 1 13 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.192 -0.132 18441 4735 1 13 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.678 2.488 18441 4736 1 13 . 1 1 49 49 VAL H H 49 7.266 7.266 7.604 -0.338 18441 4737 1 13 . 1 1 50 50 ILE N N 50 124.631 124.631 117.977 6.654 18441 4738 1 13 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.163 -0.318 18441 4739 1 13 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.430 1.160 18441 4740 1 13 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.336 -3.175 18441 4741 1 13 . 1 1 50 50 ILE H H 50 8.475 8.475 7.527 0.948 18441 4742 1 13 . 1 1 51 51 ASN N N 51 119.027 119.027 119.232 -0.205 18441 4743 1 13 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.692 0.015 18441 4744 1 13 . 1 1 51 51 ASN CA C 51 53.448 53.448 54.073 -0.625 18441 4745 1 13 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.588 0.373 18441 4746 1 13 . 1 1 51 51 ASN H H 51 7.347 7.347 8.007 -0.660 18441 4747 1 13 . 1 1 52 52 GLU N N 52 115.889 115.889 118.446 -2.557 18441 4748 1 13 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.816 0.072 18441 4749 1 13 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.248 1.537 18441 4750 1 13 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.600 0.420 18441 4751 1 13 . 1 1 52 52 GLU H H 52 7.438 7.438 7.550 -0.112 18441 4752 1 13 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.207 0.003 18441 4753 1 13 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.922 1.038 18441 4754 1 13 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.879 1.069 18441 4755 1 13 . 1 1 54 54 SER N N 54 113.711 113.711 112.483 1.228 18441 4756 1 13 . 1 1 54 54 SER HA H 54 4.173 4.173 4.312 -0.139 18441 4757 1 13 . 1 1 54 54 SER CA C 54 61.650 61.650 60.572 1.078 18441 4758 1 13 . 1 1 54 54 SER CB C 54 62.930 62.930 63.484 -0.554 18441 4759 1 13 . 1 1 54 54 SER H H 54 8.946 8.946 8.467 0.479 18441 4760 1 13 . 1 1 55 55 ARG N N 55 116.455 116.455 120.222 -3.767 18441 4761 1 13 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.376 0.028 18441 4762 1 13 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.036 0.274 18441 4763 1 13 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.288 3.324 18441 4764 1 13 . 1 1 55 55 ARG H H 55 7.759 7.759 7.649 0.110 18441 4765 1 13 . 1 1 56 56 LEU N N 56 121.468 121.468 123.230 -1.762 18441 4766 1 13 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.319 -0.184 18441 4767 1 13 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.197 -0.297 18441 4768 1 13 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.337 1.660 18441 4769 1 13 . 1 1 56 56 LEU H H 56 7.472 7.472 8.385 -0.913 18441 4770 1 13 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.195 0.501 18441 4771 1 13 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.165 0.015 18441 4772 1 13 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.047 1.343 18441 4773 1 13 . 1 1 58 58 LEU N N 58 119.923 119.923 118.200 1.723 18441 4774 1 13 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.020 0.030 18441 4775 1 13 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.770 0.549 18441 4776 1 13 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.310 0.718 18441 4777 1 13 . 1 1 58 58 LEU H H 58 8.734 8.734 7.497 1.237 18441 4778 1 13 . 1 1 59 59 PHE N N 59 116.632 116.632 119.373 -2.741 18441 4779 1 13 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.346 0.133 18441 4780 1 13 . 1 1 59 59 PHE CA C 59 63.080 63.080 60.365 2.715 18441 4781 1 13 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.566 0.285 18441 4782 1 13 . 1 1 59 59 PHE H H 59 8.312 8.312 8.839 -0.527 18441 4783 1 13 . 1 1 60 60 ASP N N 60 120.603 120.603 118.625 1.978 18441 4784 1 13 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.537 0.134 18441 4785 1 13 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.538 1.332 18441 4786 1 13 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.862 0.679 18441 4787 1 13 . 1 1 60 60 ASP H H 60 7.462 7.462 7.891 -0.429 18441 4788 1 13 . 1 1 61 61 ALA N N 61 122.470 122.470 122.993 -0.523 18441 4789 1 13 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.949 0.312 18441 4790 1 13 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.740 -0.194 18441 4791 1 13 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.888 -0.008 18441 4792 1 13 . 1 1 61 61 ALA H H 61 7.664 7.664 7.935 -0.271 18441 4793 1 13 . 1 1 62 62 ILE N N 62 115.525 115.525 118.152 -2.627 18441 4794 1 13 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.984 0.698 18441 4795 1 13 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.320 0.100 18441 4796 1 13 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.063 2.092 18441 4797 1 13 . 1 1 62 62 ILE H H 62 7.653 7.653 7.729 -0.076 18441 4798 1 13 . 1 1 63 63 ARG N N 63 121.016 121.016 120.850 0.166 18441 4799 1 13 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.717 -0.243 18441 4800 1 13 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.514 0.856 18441 4801 1 13 . 1 1 63 63 ARG H H 63 6.917 6.917 7.590 -0.673 18441 4802 1 13 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.122 0.189 18441 4803 1 13 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.540 0.200 18441 4804 1 13 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.051 1.136 18441 4805 1 13 . 1 1 65 65 LEU N N 65 114.713 114.713 114.977 -0.264 18441 4806 1 13 . 1 1 65 65 LEU HA H 65 3.920 3.920 3.965 -0.045 18441 4807 1 13 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.043 -0.383 18441 4808 1 13 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.682 0.426 18441 4809 1 13 . 1 1 65 65 LEU H H 65 8.074 8.074 7.425 0.649 18441 4810 1 13 . 1 1 66 66 ILE N N 66 120.129 120.129 118.378 1.751 18441 4811 1 13 . 1 1 66 66 ILE HA H 66 4.305 4.305 3.665 0.640 18441 4812 1 13 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.053 -4.293 18441 4813 1 13 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.365 -0.721 18441 4814 1 13 . 1 1 66 66 ILE H H 66 7.398 7.398 7.427 -0.029 18441 4815 1 13 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.240 0.065 18441 4816 1 13 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.506 1.134 18441 4817 1 13 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.337 0.952 18441 4818 1 13 . 1 1 68 68 LEU N N 68 124.673 124.673 123.210 1.463 18441 4819 1 13 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.963 -0.113 18441 4820 1 13 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.212 0.408 18441 4821 1 13 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.538 0.929 18441 4822 1 13 . 1 1 68 68 LEU H H 68 8.471 8.471 8.390 0.081 18441 4823 1 13 . 1 1 69 69 LYS N N 69 115.247 115.247 117.180 -1.933 18441 4824 1 13 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.038 0.131 18441 4825 1 13 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.408 -0.388 18441 4826 1 13 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.228 1.278 18441 4827 1 13 . 1 1 69 69 LYS H H 69 8.536 8.536 8.572 -0.036 18441 4828 1 13 . 1 1 70 70 HIS N N 70 118.849 118.849 118.349 0.500 18441 4829 1 13 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.391 0.834 18441 4830 1 13 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.370 -3.481 18441 4831 1 13 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.709 5.329 18441 4832 1 13 . 1 1 70 70 HIS H H 70 8.060 8.060 8.367 -0.307 18441 4833 1 13 . 1 1 71 71 GLN N N 71 122.130 122.130 119.639 2.491 18441 4834 1 13 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.029 -0.330 18441 4835 1 13 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.621 2.069 18441 4836 1 13 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.748 0.502 18441 4837 1 13 . 1 1 71 71 GLN H H 71 7.732 7.732 8.463 -0.731 18441 4838 1 13 . 1 1 72 72 VAL N N 72 119.182 119.182 119.098 0.084 18441 4839 1 13 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.692 0.116 18441 4840 1 13 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.616 0.604 18441 4841 1 13 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.578 0.236 18441 4842 1 13 . 1 1 72 72 VAL H H 72 8.203 8.203 7.753 0.450 18441 4843 1 13 . 1 1 73 73 GLU N N 73 121.878 121.878 120.105 1.773 18441 4844 1 13 . 1 1 73 73 GLU HA H 73 3.978 3.978 3.997 -0.019 18441 4845 1 13 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.337 0.763 18441 4846 1 13 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.622 1.038 18441 4847 1 13 . 1 1 73 73 GLU H H 73 8.136 8.136 7.875 0.261 18441 4848 1 13 . 1 1 74 74 TYR N N 74 119.780 119.780 121.113 -1.333 18441 4849 1 13 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.162 -0.485 18441 4850 1 13 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.753 1.557 18441 4851 1 13 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.596 1.424 18441 4852 1 13 . 1 1 74 74 TYR H H 74 8.491 8.491 8.625 -0.134 18441 4853 1 13 . 1 1 75 75 ASP N N 75 120.231 120.231 118.145 2.086 18441 4854 1 13 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.353 -0.210 18441 4855 1 13 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.830 0.730 18441 4856 1 13 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.339 0.239 18441 4857 1 13 . 1 1 75 75 ASP H H 75 8.566 8.566 7.978 0.588 18441 4858 1 13 . 1 1 76 76 GLN N N 76 118.324 118.324 117.822 0.502 18441 4859 1 13 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.054 0.002 18441 4860 1 13 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.139 0.291 18441 4861 1 13 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.024 0.406 18441 4862 1 13 . 1 1 76 76 GLN H H 76 7.844 7.844 7.776 0.068 18441 4863 1 13 . 1 1 77 77 LEU N N 77 117.932 117.932 117.257 0.675 18441 4864 1 13 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.085 0.112 18441 4865 1 13 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.984 -0.074 18441 4866 1 13 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.356 3.048 18441 4867 1 13 . 1 1 77 77 LEU H H 77 7.665 7.665 7.534 0.131 18441 4868 1 13 . 1 1 78 78 THR N N 78 110.323 110.323 110.930 -0.607 18441 4869 1 13 . 1 1 78 78 THR HA H 78 3.709 3.709 3.991 -0.282 18441 4870 1 13 . 1 1 78 78 THR CA C 78 59.750 59.750 59.474 0.276 18441 4871 1 13 . 1 1 78 78 THR CB C 78 69.110 69.110 68.981 0.129 18441 4872 1 13 . 1 1 78 78 THR H H 78 7.130 7.130 7.539 -0.409 18441 4873 1 13 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.298 -0.052 18441 4874 1 13 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.078 0.602 18441 4875 1 13 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.308 1.083 18441 4876 1 14 . 1 1 2 2 ASP HA H 2 4.530 4.530 5.037 -0.507 18441 4877 1 14 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.777 1.813 18441 4878 1 14 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.886 -1.193 18441 4879 1 14 . 1 1 3 3 ARG N N 3 121.498 121.498 120.037 1.461 18441 4880 1 14 . 1 1 3 3 ARG HA H 3 4.241 4.241 3.801 0.440 18441 4881 1 14 . 1 1 3 3 ARG CA C 3 57.670 57.670 58.680 -1.010 18441 4882 1 14 . 1 1 3 3 ARG CB C 3 30.510 30.510 29.043 1.467 18441 4883 1 14 . 1 1 3 3 ARG H H 3 8.382 8.382 8.728 -0.346 18441 4884 1 14 . 1 1 4 4 LYS N N 4 122.257 122.257 120.457 1.800 18441 4885 1 14 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.105 -0.047 18441 4886 1 14 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.331 0.379 18441 4887 1 14 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.107 1.169 18441 4888 1 14 . 1 1 4 4 LYS H H 4 8.226 8.226 8.250 -0.024 18441 4889 1 14 . 1 1 5 5 VAL N N 5 120.494 120.494 118.342 2.152 18441 4890 1 14 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.852 -0.131 18441 4891 1 14 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.245 1.405 18441 4892 1 14 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.028 1.046 18441 4893 1 14 . 1 1 5 5 VAL H H 5 8.109 8.109 8.035 0.074 18441 4894 1 14 . 1 1 6 6 ALA N N 6 123.149 123.149 123.409 -0.260 18441 4895 1 14 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.251 -0.216 18441 4896 1 14 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.272 0.618 18441 4897 1 14 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.317 0.943 18441 4898 1 14 . 1 1 6 6 ALA H H 6 8.374 8.374 7.387 0.987 18441 4899 1 14 . 1 1 7 7 ARG N N 7 119.587 119.587 118.848 0.739 18441 4900 1 14 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.889 0.112 18441 4901 1 14 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.148 0.623 18441 4902 1 14 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.023 0.747 18441 4903 1 14 . 1 1 7 7 ARG H H 7 7.992 7.992 8.233 -0.241 18441 4904 1 14 . 1 1 8 8 GLU N N 8 119.745 119.745 119.834 -0.089 18441 4905 1 14 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.105 -0.047 18441 4906 1 14 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.760 0.010 18441 4907 1 14 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.849 0.101 18441 4908 1 14 . 1 1 8 8 GLU H H 8 8.165 8.165 7.986 0.179 18441 4909 1 14 . 1 1 9 9 PHE N N 9 121.436 121.436 119.338 2.098 18441 4910 1 14 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.365 -0.238 18441 4911 1 14 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.823 3.197 18441 4912 1 14 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.536 1.087 18441 4913 1 14 . 1 1 9 9 PHE H H 9 8.180 8.180 8.104 0.076 18441 4914 1 14 . 1 1 10 10 ARG N N 10 119.028 119.028 120.082 -1.054 18441 4915 1 14 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.530 0.331 18441 4916 1 14 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.375 0.205 18441 4917 1 14 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.468 0.852 18441 4918 1 14 . 1 1 10 10 ARG H H 10 7.910 7.910 7.964 -0.054 18441 4919 1 14 . 1 1 11 11 HIS N N 11 116.563 116.563 118.580 -2.017 18441 4920 1 14 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.258 0.198 18441 4921 1 14 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.004 0.176 18441 4922 1 14 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.961 0.069 18441 4923 1 14 . 1 1 11 11 HIS H H 11 8.001 8.001 8.274 -0.273 18441 4924 1 14 . 1 1 12 12 LYS N N 12 120.773 120.773 119.047 1.726 18441 4925 1 14 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.917 0.091 18441 4926 1 14 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.560 0.420 18441 4927 1 14 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.337 0.355 18441 4928 1 14 . 1 1 12 12 LYS H H 12 7.796 7.796 7.752 0.044 18441 4929 1 14 . 1 1 13 13 VAL N N 13 120.125 120.125 120.252 -0.127 18441 4930 1 14 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.681 -0.570 18441 4931 1 14 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.080 1.100 18441 4932 1 14 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.488 0.652 18441 4933 1 14 . 1 1 13 13 VAL H H 13 7.821 7.821 7.922 -0.101 18441 4934 1 14 . 1 1 14 14 ASP N N 14 117.462 117.462 119.531 -2.069 18441 4935 1 14 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.377 -0.115 18441 4936 1 14 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.987 0.413 18441 4937 1 14 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.728 0.586 18441 4938 1 14 . 1 1 14 14 ASP H H 14 8.276 8.276 7.780 0.496 18441 4939 1 14 . 1 1 15 15 PHE N N 15 117.914 117.914 119.065 -1.151 18441 4940 1 14 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.275 0.087 18441 4941 1 14 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.645 -0.455 18441 4942 1 14 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.514 1.184 18441 4943 1 14 . 1 1 15 15 PHE H H 15 7.664 7.664 7.716 -0.052 18441 4944 1 14 . 1 1 16 16 LEU N N 16 116.737 116.737 117.447 -0.710 18441 4945 1 14 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.445 -0.211 18441 4946 1 14 . 1 1 16 16 LEU CA C 16 56.420 56.420 55.248 1.173 18441 4947 1 14 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.628 2.450 18441 4948 1 14 . 1 1 16 16 LEU H H 16 7.658 7.658 7.982 -0.325 18441 4949 1 14 . 1 1 17 17 ILE N N 17 120.533 120.533 117.338 3.195 18441 4950 1 14 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.309 -0.201 18441 4951 1 14 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.295 1.245 18441 4952 1 14 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.496 0.861 18441 4953 1 14 . 1 1 17 17 ILE H H 17 8.336 8.336 7.528 0.808 18441 4954 1 14 . 1 1 18 18 GLU N N 18 124.531 124.531 123.110 1.421 18441 4955 1 14 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.069 0.141 18441 4956 1 14 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.963 -0.363 18441 4957 1 14 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.748 1.262 18441 4958 1 14 . 1 1 18 18 GLU H H 18 8.276 8.276 8.641 -0.365 18441 4959 1 14 . 1 1 19 19 ASN N N 19 117.630 117.630 118.261 -0.631 18441 4960 1 14 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.540 0.265 18441 4961 1 14 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.058 -0.320 18441 4962 1 14 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.035 2.143 18441 4963 1 14 . 1 1 19 19 ASN H H 19 7.700 7.700 7.948 -0.248 18441 4964 1 14 . 1 1 20 20 ASP N N 20 127.428 127.428 118.262 9.166 18441 4965 1 14 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.697 -0.448 18441 4966 1 14 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.571 2.279 18441 4967 1 14 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.451 -0.137 18441 4968 1 14 . 1 1 20 20 ASP H H 20 8.998 8.998 8.567 0.431 18441 4969 1 14 . 1 1 21 21 ALA N N 21 122.271 122.271 123.527 -1.256 18441 4970 1 14 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.172 0.088 18441 4971 1 14 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.275 0.725 18441 4972 1 14 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.349 0.301 18441 4973 1 14 . 1 1 21 21 ALA H H 21 8.346 8.346 8.133 0.213 18441 4974 1 14 . 1 1 22 22 GLU N N 22 118.716 118.716 118.235 0.481 18441 4975 1 14 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.029 0.085 18441 4976 1 14 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.866 0.494 18441 4977 1 14 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.953 2.819 18441 4978 1 14 . 1 1 22 22 GLU H H 22 7.724 7.724 8.865 -1.141 18441 4979 1 14 . 1 1 23 23 LYS N N 23 121.088 121.088 117.740 3.348 18441 4980 1 14 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.820 -0.009 18441 4981 1 14 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.039 2.631 18441 4982 1 14 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.855 1.215 18441 4983 1 14 . 1 1 23 23 LYS H H 23 7.618 7.618 8.145 -0.527 18441 4984 1 14 . 1 1 24 24 ASP N N 24 119.010 119.010 120.250 -1.240 18441 4985 1 14 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.380 0.109 18441 4986 1 14 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.413 1.097 18441 4987 1 14 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.416 0.421 18441 4988 1 14 . 1 1 24 24 ASP H H 24 8.424 8.424 7.586 0.838 18441 4989 1 14 . 1 1 25 25 TYR N N 25 120.417 120.417 120.374 0.043 18441 4990 1 14 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.114 0.129 18441 4991 1 14 . 1 1 25 25 TYR CA C 25 62.190 62.190 62.373 -0.183 18441 4992 1 14 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.681 -0.182 18441 4993 1 14 . 1 1 25 25 TYR H H 25 7.676 7.676 8.250 -0.574 18441 4994 1 14 . 1 1 26 26 LEU N N 26 120.960 120.960 119.841 1.119 18441 4995 1 14 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.932 -0.331 18441 4996 1 14 . 1 1 26 26 LEU CA C 26 59.440 59.440 59.170 0.270 18441 4997 1 14 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.655 0.496 18441 4998 1 14 . 1 1 26 26 LEU H H 26 7.965 7.965 7.964 0.001 18441 4999 1 14 . 1 1 27 27 TYR N N 27 116.521 116.521 118.027 -1.506 18441 5000 1 14 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.148 -0.372 18441 5001 1 14 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.093 5.317 18441 5002 1 14 . 1 1 27 27 TYR CB C 27 38.403 38.403 36.978 1.425 18441 5003 1 14 . 1 1 27 27 TYR H H 27 8.097 8.097 7.815 0.282 18441 5004 1 14 . 1 1 28 28 ASP N N 28 123.384 123.384 119.018 4.366 18441 5005 1 14 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.429 0.047 18441 5006 1 14 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.459 1.081 18441 5007 1 14 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.392 1.002 18441 5008 1 14 . 1 1 28 28 ASP H H 28 8.355 8.355 7.894 0.461 18441 5009 1 14 . 1 1 29 29 VAL N N 29 121.272 121.272 120.429 0.843 18441 5010 1 14 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.781 -0.068 18441 5011 1 14 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.076 0.574 18441 5012 1 14 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.383 0.535 18441 5013 1 14 . 1 1 29 29 VAL H H 29 8.252 8.252 8.357 -0.105 18441 5014 1 14 . 1 1 30 30 LEU N N 30 122.443 122.443 119.670 2.773 18441 5015 1 14 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.091 -0.048 18441 5016 1 14 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.480 0.400 18441 5017 1 14 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.538 0.743 18441 5018 1 14 . 1 1 30 30 LEU H H 30 7.987 7.987 8.155 -0.168 18441 5019 1 14 . 1 1 31 31 ARG N N 31 122.386 122.386 119.094 3.292 18441 5020 1 14 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.011 0.005 18441 5021 1 14 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.774 0.606 18441 5022 1 14 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.349 0.051 18441 5023 1 14 . 1 1 31 31 ARG H H 31 8.637 8.637 8.295 0.342 18441 5024 1 14 . 1 1 32 32 MET N N 32 120.006 120.006 119.564 0.442 18441 5025 1 14 . 1 1 32 32 MET HA H 32 4.359 4.359 4.203 0.156 18441 5026 1 14 . 1 1 32 32 MET CA C 32 58.490 58.490 58.072 0.418 18441 5027 1 14 . 1 1 32 32 MET CB C 32 31.677 31.677 32.012 -0.335 18441 5028 1 14 . 1 1 32 32 MET H H 32 8.327 8.327 8.381 -0.054 18441 5029 1 14 . 1 1 33 33 TYR N N 33 123.220 123.220 120.988 2.232 18441 5030 1 14 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.188 0.536 18441 5031 1 14 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.168 0.832 18441 5032 1 14 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.842 1.845 18441 5033 1 14 . 1 1 33 33 TYR H H 33 8.054 8.054 8.419 -0.365 18441 5034 1 14 . 1 1 34 34 HIS N N 34 120.860 120.860 117.152 3.708 18441 5035 1 14 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.067 -0.291 18441 5036 1 14 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.383 1.327 18441 5037 1 14 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.120 1.272 18441 5038 1 14 . 1 1 34 34 HIS H H 34 8.548 8.548 7.908 0.640 18441 5039 1 14 . 1 1 35 35 GLN N N 35 113.582 113.582 118.951 -5.369 18441 5040 1 14 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.249 -0.249 18441 5041 1 14 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.463 0.217 18441 5042 1 14 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.529 1.021 18441 5043 1 14 . 1 1 35 35 GLN H H 35 7.542 7.542 8.378 -0.836 18441 5044 1 14 . 1 1 36 36 THR N N 36 111.117 111.117 109.805 1.312 18441 5045 1 14 . 1 1 36 36 THR HA H 36 4.214 4.214 4.274 -0.060 18441 5046 1 14 . 1 1 36 36 THR CA C 36 63.980 63.980 62.730 1.250 18441 5047 1 14 . 1 1 36 36 THR CB C 36 71.670 71.670 69.631 2.039 18441 5048 1 14 . 1 1 36 36 THR H H 36 8.569 8.569 8.378 0.191 18441 5049 1 14 . 1 1 37 37 MET N N 37 120.444 120.444 119.068 1.376 18441 5050 1 14 . 1 1 37 37 MET HA H 37 3.740 3.740 4.229 -0.489 18441 5051 1 14 . 1 1 37 37 MET CA C 37 56.430 56.430 56.340 0.090 18441 5052 1 14 . 1 1 37 37 MET CB C 37 31.399 31.399 30.728 0.671 18441 5053 1 14 . 1 1 37 37 MET H H 37 9.542 9.542 7.658 1.884 18441 5054 1 14 . 1 1 38 38 ASP N N 38 117.020 117.020 120.362 -3.342 18441 5055 1 14 . 1 1 38 38 ASP HA H 38 4.944 4.944 5.018 -0.074 18441 5056 1 14 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.292 0.184 18441 5057 1 14 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.413 -0.373 18441 5058 1 14 . 1 1 38 38 ASP H H 38 7.456 7.456 7.777 -0.321 18441 5059 1 14 . 1 1 39 39 VAL N N 39 128.507 128.507 123.827 4.680 18441 5060 1 14 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.596 0.235 18441 5061 1 14 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.673 0.167 18441 5062 1 14 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.786 0.914 18441 5063 1 14 . 1 1 39 39 VAL H H 39 8.425 8.425 8.656 -0.231 18441 5064 1 14 . 1 1 40 40 ALA N N 40 125.621 125.621 122.172 3.449 18441 5065 1 14 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.090 -0.103 18441 5066 1 14 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.029 0.831 18441 5067 1 14 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.293 0.177 18441 5068 1 14 . 1 1 40 40 ALA H H 40 7.998 7.998 8.216 -0.218 18441 5069 1 14 . 1 1 41 41 VAL N N 41 122.132 122.132 119.095 3.037 18441 5070 1 14 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.734 -0.163 18441 5071 1 14 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.477 0.203 18441 5072 1 14 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.995 0.707 18441 5073 1 14 . 1 1 41 41 VAL H H 41 7.663 7.663 7.391 0.272 18441 5074 1 14 . 1 1 42 42 LEU N N 42 120.190 120.190 118.585 1.605 18441 5075 1 14 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.150 0.110 18441 5076 1 14 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.277 0.713 18441 5077 1 14 . 1 1 42 42 LEU CB C 42 40.705 40.705 40.765 -0.060 18441 5078 1 14 . 1 1 42 42 LEU H H 42 7.361 7.361 7.372 -0.011 18441 5079 1 14 . 1 1 43 43 VAL N N 43 116.802 116.802 119.947 -3.145 18441 5080 1 14 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.476 -0.059 18441 5081 1 14 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.307 2.473 18441 5082 1 14 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.515 1.465 18441 5083 1 14 . 1 1 43 43 VAL H H 43 8.062 8.062 7.726 0.336 18441 5084 1 14 . 1 1 44 44 GLY N N 44 106.242 106.242 108.023 -1.781 18441 5085 1 14 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.404 0.912 18441 5086 1 14 . 1 1 44 44 GLY H H 44 7.901 7.901 7.924 -0.023 18441 5087 1 14 . 1 1 45 45 ASP N N 45 123.359 123.359 123.275 0.084 18441 5088 1 14 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.521 0.144 18441 5089 1 14 . 1 1 45 45 ASP CA C 45 57.760 57.760 58.217 -0.457 18441 5090 1 14 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.763 0.105 18441 5091 1 14 . 1 1 45 45 ASP H H 45 8.680 8.680 7.841 0.839 18441 5092 1 14 . 1 1 46 46 LEU N N 46 123.201 123.201 120.515 2.686 18441 5093 1 14 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.925 0.141 18441 5094 1 14 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.216 -0.096 18441 5095 1 14 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.025 0.974 18441 5096 1 14 . 1 1 46 46 LEU H H 46 9.018 9.018 8.561 0.457 18441 5097 1 14 . 1 1 47 47 LYS N N 47 119.196 119.196 119.178 0.018 18441 5098 1 14 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.053 -0.083 18441 5099 1 14 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.490 0.800 18441 5100 1 14 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.142 0.999 18441 5101 1 14 . 1 1 47 47 LYS H H 47 8.017 8.017 7.806 0.211 18441 5102 1 14 . 1 1 48 48 LEU N N 48 116.358 116.358 119.732 -3.374 18441 5103 1 14 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.899 0.262 18441 5104 1 14 . 1 1 48 48 LEU CA C 48 57.670 57.670 58.141 -0.471 18441 5105 1 14 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.221 -0.061 18441 5106 1 14 . 1 1 48 48 LEU H H 48 7.143 7.143 7.588 -0.445 18441 5107 1 14 . 1 1 49 49 VAL N N 49 112.662 112.662 114.754 -2.092 18441 5108 1 14 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.931 0.542 18441 5109 1 14 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.696 -0.636 18441 5110 1 14 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.016 3.151 18441 5111 1 14 . 1 1 49 49 VAL H H 49 7.266 7.266 7.498 -0.232 18441 5112 1 14 . 1 1 50 50 ILE N N 50 124.631 124.631 118.052 6.579 18441 5113 1 14 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.260 -0.415 18441 5114 1 14 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.510 1.081 18441 5115 1 14 . 1 1 50 50 ILE CB C 50 35.161 35.161 39.034 -3.873 18441 5116 1 14 . 1 1 50 50 ILE H H 50 8.475 8.475 7.704 0.772 18441 5117 1 14 . 1 1 51 51 ASN N N 51 119.027 119.027 119.177 -0.150 18441 5118 1 14 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.550 0.157 18441 5119 1 14 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.958 -0.510 18441 5120 1 14 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.511 0.450 18441 5121 1 14 . 1 1 51 51 ASN H H 51 7.347 7.347 8.001 -0.654 18441 5122 1 14 . 1 1 52 52 GLU N N 52 115.889 115.889 118.389 -2.500 18441 5123 1 14 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.786 0.102 18441 5124 1 14 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.118 1.667 18441 5125 1 14 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.698 0.322 18441 5126 1 14 . 1 1 52 52 GLU H H 52 7.438 7.438 7.599 -0.161 18441 5127 1 14 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.192 0.018 18441 5128 1 14 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.847 1.113 18441 5129 1 14 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.795 1.153 18441 5130 1 14 . 1 1 54 54 SER N N 54 113.711 113.711 112.908 0.803 18441 5131 1 14 . 1 1 54 54 SER HA H 54 4.173 4.173 4.289 -0.116 18441 5132 1 14 . 1 1 54 54 SER CA C 54 61.650 61.650 60.408 1.242 18441 5133 1 14 . 1 1 54 54 SER CB C 54 62.930 62.930 63.363 -0.433 18441 5134 1 14 . 1 1 54 54 SER H H 54 8.946 8.946 8.341 0.605 18441 5135 1 14 . 1 1 55 55 ARG N N 55 116.455 116.455 119.959 -3.504 18441 5136 1 14 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.422 -0.018 18441 5137 1 14 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.877 0.434 18441 5138 1 14 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.402 3.210 18441 5139 1 14 . 1 1 55 55 ARG H H 55 7.759 7.759 7.568 0.191 18441 5140 1 14 . 1 1 56 56 LEU N N 56 121.468 121.468 123.271 -1.803 18441 5141 1 14 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.231 -0.096 18441 5142 1 14 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.865 0.035 18441 5143 1 14 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.475 1.522 18441 5144 1 14 . 1 1 56 56 LEU H H 56 7.472 7.472 8.368 -0.896 18441 5145 1 14 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.203 0.493 18441 5146 1 14 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.161 0.019 18441 5147 1 14 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.114 1.276 18441 5148 1 14 . 1 1 58 58 LEU N N 58 119.923 119.923 117.791 2.132 18441 5149 1 14 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.146 -0.096 18441 5150 1 14 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.660 0.659 18441 5151 1 14 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.599 0.429 18441 5152 1 14 . 1 1 58 58 LEU H H 58 8.734 8.734 7.608 1.126 18441 5153 1 14 . 1 1 59 59 PHE N N 59 116.632 116.632 121.075 -4.443 18441 5154 1 14 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.288 0.191 18441 5155 1 14 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.821 1.259 18441 5156 1 14 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.047 -0.195 18441 5157 1 14 . 1 1 59 59 PHE H H 59 8.312 8.312 8.677 -0.365 18441 5158 1 14 . 1 1 60 60 ASP N N 60 120.603 120.603 117.728 2.875 18441 5159 1 14 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.451 0.220 18441 5160 1 14 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.401 1.469 18441 5161 1 14 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.610 0.931 18441 5162 1 14 . 1 1 60 60 ASP H H 60 7.462 7.462 7.796 -0.334 18441 5163 1 14 . 1 1 61 61 ALA N N 61 122.470 122.470 121.942 0.528 18441 5164 1 14 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.985 0.276 18441 5165 1 14 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.115 0.431 18441 5166 1 14 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.715 0.165 18441 5167 1 14 . 1 1 61 61 ALA H H 61 7.664 7.664 7.477 0.187 18441 5168 1 14 . 1 1 62 62 ILE N N 62 115.525 115.525 118.076 -2.551 18441 5169 1 14 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.979 0.703 18441 5170 1 14 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.623 -0.203 18441 5171 1 14 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.872 2.283 18441 5172 1 14 . 1 1 62 62 ILE H H 62 7.653 7.653 7.639 0.014 18441 5173 1 14 . 1 1 63 63 ARG N N 63 121.016 121.016 120.209 0.807 18441 5174 1 14 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.392 0.082 18441 5175 1 14 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.356 1.014 18441 5176 1 14 . 1 1 63 63 ARG H H 63 6.917 6.917 7.115 -0.198 18441 5177 1 14 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.110 0.201 18441 5178 1 14 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.581 0.159 18441 5179 1 14 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.010 1.177 18441 5180 1 14 . 1 1 65 65 LEU N N 65 114.713 114.713 115.809 -1.096 18441 5181 1 14 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.063 -0.143 18441 5182 1 14 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.110 -0.450 18441 5183 1 14 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.893 0.215 18441 5184 1 14 . 1 1 65 65 LEU H H 65 8.074 8.074 7.458 0.616 18441 5185 1 14 . 1 1 66 66 ILE N N 66 120.129 120.129 118.801 1.328 18441 5186 1 14 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.112 0.193 18441 5187 1 14 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.579 -4.819 18441 5188 1 14 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.541 -0.897 18441 5189 1 14 . 1 1 66 66 ILE H H 66 7.398 7.398 7.568 -0.170 18441 5190 1 14 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.318 -0.013 18441 5191 1 14 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.873 0.767 18441 5192 1 14 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.364 0.925 18441 5193 1 14 . 1 1 68 68 LEU N N 68 124.673 124.673 123.466 1.207 18441 5194 1 14 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.982 -0.132 18441 5195 1 14 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.390 0.230 18441 5196 1 14 . 1 1 68 68 LEU CB C 68 42.467 42.467 42.025 0.442 18441 5197 1 14 . 1 1 68 68 LEU H H 68 8.471 8.471 8.345 0.126 18441 5198 1 14 . 1 1 69 69 LYS N N 69 115.247 115.247 118.697 -3.450 18441 5199 1 14 . 1 1 69 69 LYS HA H 69 4.169 4.169 3.979 0.190 18441 5200 1 14 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.481 -0.461 18441 5201 1 14 . 1 1 69 69 LYS CB C 69 32.506 32.506 32.002 0.504 18441 5202 1 14 . 1 1 69 69 LYS H H 69 8.536 8.536 8.350 0.186 18441 5203 1 14 . 1 1 70 70 HIS N N 70 118.849 118.849 116.219 2.630 18441 5204 1 14 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.381 0.844 18441 5205 1 14 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.453 -3.564 18441 5206 1 14 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.524 5.514 18441 5207 1 14 . 1 1 70 70 HIS H H 70 8.060 8.060 8.438 -0.378 18441 5208 1 14 . 1 1 71 71 GLN N N 71 122.130 122.130 118.858 3.272 18441 5209 1 14 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.068 -0.369 18441 5210 1 14 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.023 2.667 18441 5211 1 14 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.372 0.878 18441 5212 1 14 . 1 1 71 71 GLN H H 71 7.732 7.732 8.379 -0.647 18441 5213 1 14 . 1 1 72 72 VAL N N 72 119.182 119.182 119.916 -0.734 18441 5214 1 14 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.677 0.131 18441 5215 1 14 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.939 0.281 18441 5216 1 14 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.070 0.744 18441 5217 1 14 . 1 1 72 72 VAL H H 72 8.203 8.203 7.967 0.236 18441 5218 1 14 . 1 1 73 73 GLU N N 73 121.878 121.878 120.683 1.195 18441 5219 1 14 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.024 -0.046 18441 5220 1 14 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.376 0.724 18441 5221 1 14 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.653 1.007 18441 5222 1 14 . 1 1 73 73 GLU H H 73 8.136 8.136 7.894 0.242 18441 5223 1 14 . 1 1 74 74 TYR N N 74 119.780 119.780 120.609 -0.829 18441 5224 1 14 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.095 -0.418 18441 5225 1 14 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.577 1.733 18441 5226 1 14 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.298 1.722 18441 5227 1 14 . 1 1 74 74 TYR H H 74 8.491 8.491 8.451 0.040 18441 5228 1 14 . 1 1 75 75 ASP N N 75 120.231 120.231 118.665 1.566 18441 5229 1 14 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.536 -0.393 18441 5230 1 14 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.489 0.071 18441 5231 1 14 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.808 -0.230 18441 5232 1 14 . 1 1 75 75 ASP H H 75 8.566 8.566 8.445 0.121 18441 5233 1 14 . 1 1 76 76 GLN N N 76 118.324 118.324 117.124 1.200 18441 5234 1 14 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.105 -0.049 18441 5235 1 14 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.242 0.188 18441 5236 1 14 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.210 0.220 18441 5237 1 14 . 1 1 76 76 GLN H H 76 7.844 7.844 7.995 -0.151 18441 5238 1 14 . 1 1 77 77 LEU N N 77 117.932 117.932 116.265 1.667 18441 5239 1 14 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.249 -0.052 18441 5240 1 14 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.183 -0.273 18441 5241 1 14 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.371 3.033 18441 5242 1 14 . 1 1 77 77 LEU H H 77 7.665 7.665 7.564 0.101 18441 5243 1 14 . 1 1 78 78 THR N N 78 110.323 110.323 111.715 -1.392 18441 5244 1 14 . 1 1 78 78 THR HA H 78 3.709 3.709 4.151 -0.442 18441 5245 1 14 . 1 1 78 78 THR CA C 78 59.750 59.750 65.575 -5.824 18441 5246 1 14 . 1 1 78 78 THR CB C 78 69.110 69.110 67.502 1.608 18441 5247 1 14 . 1 1 78 78 THR H H 78 7.130 7.130 7.867 -0.737 18441 5248 1 14 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.787 -0.541 18441 5249 1 14 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.379 1.301 18441 5250 1 14 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.661 -0.270 18441 5251 1 15 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.723 -0.193 18441 5252 1 15 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.391 1.199 18441 5253 1 15 . 1 1 2 2 ASP CB C 2 41.693 41.693 40.863 0.830 18441 5254 1 15 . 1 1 3 3 ARG N N 3 121.498 121.498 120.355 1.143 18441 5255 1 15 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.384 -0.143 18441 5256 1 15 . 1 1 3 3 ARG CA C 3 57.670 57.670 56.255 1.415 18441 5257 1 15 . 1 1 3 3 ARG CB C 3 30.510 30.510 31.349 -0.839 18441 5258 1 15 . 1 1 3 3 ARG H H 3 8.382 8.382 8.051 0.331 18441 5259 1 15 . 1 1 4 4 LYS N N 4 122.257 122.257 121.596 0.661 18441 5260 1 15 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.146 -0.088 18441 5261 1 15 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.093 0.618 18441 5262 1 15 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.350 0.926 18441 5263 1 15 . 1 1 4 4 LYS H H 4 8.226 8.226 8.260 -0.034 18441 5264 1 15 . 1 1 5 5 VAL N N 5 120.494 120.494 118.413 2.081 18441 5265 1 15 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.803 -0.082 18441 5266 1 15 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.392 1.258 18441 5267 1 15 . 1 1 5 5 VAL CB C 5 32.074 32.074 30.984 1.090 18441 5268 1 15 . 1 1 5 5 VAL H H 5 8.109 8.109 8.047 0.062 18441 5269 1 15 . 1 1 6 6 ALA N N 6 123.149 123.149 122.746 0.403 18441 5270 1 15 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.239 -0.204 18441 5271 1 15 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.284 0.606 18441 5272 1 15 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.323 0.937 18441 5273 1 15 . 1 1 6 6 ALA H H 6 8.374 8.374 7.593 0.781 18441 5274 1 15 . 1 1 7 7 ARG N N 7 119.587 119.587 118.471 1.116 18441 5275 1 15 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.891 0.110 18441 5276 1 15 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.308 0.462 18441 5277 1 15 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.201 0.569 18441 5278 1 15 . 1 1 7 7 ARG H H 7 7.992 7.992 7.966 0.026 18441 5279 1 15 . 1 1 8 8 GLU N N 8 119.745 119.745 120.448 -0.703 18441 5280 1 15 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.070 -0.012 18441 5281 1 15 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.968 -0.197 18441 5282 1 15 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.552 0.398 18441 5283 1 15 . 1 1 8 8 GLU H H 8 8.165 8.165 8.276 -0.111 18441 5284 1 15 . 1 1 9 9 PHE N N 9 121.436 121.436 119.750 1.686 18441 5285 1 15 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.484 -0.357 18441 5286 1 15 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.023 2.997 18441 5287 1 15 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.687 0.936 18441 5288 1 15 . 1 1 9 9 PHE H H 9 8.180 8.180 8.159 0.021 18441 5289 1 15 . 1 1 10 10 ARG N N 10 119.028 119.028 120.001 -0.973 18441 5290 1 15 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.549 0.312 18441 5291 1 15 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.738 0.842 18441 5292 1 15 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.136 1.184 18441 5293 1 15 . 1 1 10 10 ARG H H 10 7.910 7.910 7.989 -0.079 18441 5294 1 15 . 1 1 11 11 HIS N N 11 116.563 116.563 118.922 -2.359 18441 5295 1 15 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.239 0.217 18441 5296 1 15 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.824 -0.644 18441 5297 1 15 . 1 1 11 11 HIS CB C 11 30.030 30.030 30.030 -0.000 18441 5298 1 15 . 1 1 11 11 HIS H H 11 8.001 8.001 8.123 -0.122 18441 5299 1 15 . 1 1 12 12 LYS N N 12 120.773 120.773 119.475 1.298 18441 5300 1 15 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.250 -0.242 18441 5301 1 15 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.683 0.297 18441 5302 1 15 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.107 0.586 18441 5303 1 15 . 1 1 12 12 LYS H H 12 7.796 7.796 7.883 -0.087 18441 5304 1 15 . 1 1 13 13 VAL N N 13 120.125 120.125 120.688 -0.563 18441 5305 1 15 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.613 -0.502 18441 5306 1 15 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.296 0.884 18441 5307 1 15 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.862 0.278 18441 5308 1 15 . 1 1 13 13 VAL H H 13 7.821 7.821 7.873 -0.052 18441 5309 1 15 . 1 1 14 14 ASP N N 14 117.462 117.462 119.238 -1.776 18441 5310 1 15 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.290 -0.028 18441 5311 1 15 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.307 0.093 18441 5312 1 15 . 1 1 14 14 ASP CB C 14 41.314 41.314 41.030 0.284 18441 5313 1 15 . 1 1 14 14 ASP H H 14 8.276 8.276 7.796 0.480 18441 5314 1 15 . 1 1 15 15 PHE N N 15 117.914 117.914 119.273 -1.359 18441 5315 1 15 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.275 0.087 18441 5316 1 15 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.259 -0.069 18441 5317 1 15 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.469 1.229 18441 5318 1 15 . 1 1 15 15 PHE H H 15 7.664 7.664 7.743 -0.079 18441 5319 1 15 . 1 1 16 16 LEU N N 16 116.737 116.737 116.656 0.081 18441 5320 1 15 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.072 0.162 18441 5321 1 15 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.531 1.889 18441 5322 1 15 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.296 2.782 18441 5323 1 15 . 1 1 16 16 LEU H H 16 7.658 7.658 7.856 -0.198 18441 5324 1 15 . 1 1 17 17 ILE N N 17 120.533 120.533 117.298 3.235 18441 5325 1 15 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.288 -0.180 18441 5326 1 15 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.961 1.579 18441 5327 1 15 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.368 0.989 18441 5328 1 15 . 1 1 17 17 ILE H H 17 8.336 8.336 7.141 1.195 18441 5329 1 15 . 1 1 18 18 GLU N N 18 124.531 124.531 121.757 2.774 18441 5330 1 15 . 1 1 18 18 GLU HA H 18 4.210 4.210 3.985 0.225 18441 5331 1 15 . 1 1 18 18 GLU CA C 18 58.600 58.600 59.139 -0.539 18441 5332 1 15 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.599 1.411 18441 5333 1 15 . 1 1 18 18 GLU H H 18 8.276 8.276 8.599 -0.323 18441 5334 1 15 . 1 1 19 19 ASN N N 19 117.630 117.630 116.494 1.136 18441 5335 1 15 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.643 0.162 18441 5336 1 15 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.114 -0.376 18441 5337 1 15 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.431 1.747 18441 5338 1 15 . 1 1 19 19 ASN H H 19 7.700 7.700 7.895 -0.195 18441 5339 1 15 . 1 1 20 20 ASP N N 20 127.428 127.428 118.862 8.566 18441 5340 1 15 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.606 -0.357 18441 5341 1 15 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.567 2.283 18441 5342 1 15 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.532 -0.218 18441 5343 1 15 . 1 1 20 20 ASP H H 20 8.998 8.998 8.572 0.426 18441 5344 1 15 . 1 1 21 21 ALA N N 21 122.271 122.271 123.433 -1.162 18441 5345 1 15 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.113 0.147 18441 5346 1 15 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.113 0.887 18441 5347 1 15 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.219 0.431 18441 5348 1 15 . 1 1 21 21 ALA H H 21 8.346 8.346 8.120 0.226 18441 5349 1 15 . 1 1 22 22 GLU N N 22 118.716 118.716 118.616 0.100 18441 5350 1 15 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.974 0.140 18441 5351 1 15 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.212 0.148 18441 5352 1 15 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.989 2.783 18441 5353 1 15 . 1 1 22 22 GLU H H 22 7.724 7.724 8.858 -1.134 18441 5354 1 15 . 1 1 23 23 LYS N N 23 121.088 121.088 117.463 3.625 18441 5355 1 15 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.826 -0.015 18441 5356 1 15 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.974 2.696 18441 5357 1 15 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.723 1.347 18441 5358 1 15 . 1 1 23 23 LYS H H 23 7.618 7.618 8.022 -0.404 18441 5359 1 15 . 1 1 24 24 ASP N N 24 119.010 119.010 120.275 -1.265 18441 5360 1 15 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.154 0.335 18441 5361 1 15 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.197 1.313 18441 5362 1 15 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.535 0.302 18441 5363 1 15 . 1 1 24 24 ASP H H 24 8.424 8.424 7.631 0.793 18441 5364 1 15 . 1 1 25 25 TYR N N 25 120.417 120.417 120.205 0.212 18441 5365 1 15 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.117 0.126 18441 5366 1 15 . 1 1 25 25 TYR CA C 25 62.190 62.190 62.100 0.090 18441 5367 1 15 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.577 -0.078 18441 5368 1 15 . 1 1 25 25 TYR H H 25 7.676 7.676 8.162 -0.486 18441 5369 1 15 . 1 1 26 26 LEU N N 26 120.960 120.960 119.544 1.416 18441 5370 1 15 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.999 -0.398 18441 5371 1 15 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.886 0.553 18441 5372 1 15 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.709 0.442 18441 5373 1 15 . 1 1 26 26 LEU H H 26 7.965 7.965 7.858 0.107 18441 5374 1 15 . 1 1 27 27 TYR N N 27 116.521 116.521 118.093 -1.572 18441 5375 1 15 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.132 -0.356 18441 5376 1 15 . 1 1 27 27 TYR CA C 27 64.410 64.410 58.544 5.866 18441 5377 1 15 . 1 1 27 27 TYR CB C 27 38.403 38.403 36.935 1.468 18441 5378 1 15 . 1 1 27 27 TYR H H 27 8.097 8.097 7.858 0.239 18441 5379 1 15 . 1 1 28 28 ASP N N 28 123.384 123.384 119.486 3.898 18441 5380 1 15 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.372 0.104 18441 5381 1 15 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.818 0.722 18441 5382 1 15 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.795 0.599 18441 5383 1 15 . 1 1 28 28 ASP H H 28 8.355 8.355 7.852 0.503 18441 5384 1 15 . 1 1 29 29 VAL N N 29 121.272 121.272 120.253 1.019 18441 5385 1 15 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.630 0.083 18441 5386 1 15 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.901 -0.251 18441 5387 1 15 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.917 0.001 18441 5388 1 15 . 1 1 29 29 VAL H H 29 8.252 8.252 7.931 0.321 18441 5389 1 15 . 1 1 30 30 LEU N N 30 122.443 122.443 119.583 2.860 18441 5390 1 15 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.085 -0.042 18441 5391 1 15 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.250 0.630 18441 5392 1 15 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.504 0.777 18441 5393 1 15 . 1 1 30 30 LEU H H 30 7.987 7.987 7.864 0.123 18441 5394 1 15 . 1 1 31 31 ARG N N 31 122.386 122.386 118.302 4.084 18441 5395 1 15 . 1 1 31 31 ARG HA H 31 4.016 4.016 3.988 0.028 18441 5396 1 15 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.767 0.613 18441 5397 1 15 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.073 0.327 18441 5398 1 15 . 1 1 31 31 ARG H H 31 8.637 8.637 8.353 0.284 18441 5399 1 15 . 1 1 32 32 MET N N 32 120.006 120.006 118.729 1.277 18441 5400 1 15 . 1 1 32 32 MET HA H 32 4.359 4.359 4.204 0.155 18441 5401 1 15 . 1 1 32 32 MET CA C 32 58.490 58.490 59.063 -0.573 18441 5402 1 15 . 1 1 32 32 MET CB C 32 31.677 31.677 32.227 -0.551 18441 5403 1 15 . 1 1 32 32 MET H H 32 8.327 8.327 8.010 0.317 18441 5404 1 15 . 1 1 33 33 TYR N N 33 123.220 123.220 119.860 3.360 18441 5405 1 15 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.169 0.555 18441 5406 1 15 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.946 0.054 18441 5407 1 15 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.889 1.798 18441 5408 1 15 . 1 1 33 33 TYR H H 33 8.054 8.054 8.051 0.003 18441 5409 1 15 . 1 1 34 34 HIS N N 34 120.860 120.860 118.001 2.859 18441 5410 1 15 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.413 -0.637 18441 5411 1 15 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.657 1.053 18441 5412 1 15 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.632 0.760 18441 5413 1 15 . 1 1 34 34 HIS H H 34 8.548 8.548 7.942 0.606 18441 5414 1 15 . 1 1 35 35 GLN N N 35 113.582 113.582 118.458 -4.876 18441 5415 1 15 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.305 -0.305 18441 5416 1 15 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.262 0.418 18441 5417 1 15 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.444 1.107 18441 5418 1 15 . 1 1 35 35 GLN H H 35 7.542 7.542 8.588 -1.046 18441 5419 1 15 . 1 1 36 36 THR N N 36 111.117 111.117 110.926 0.191 18441 5420 1 15 . 1 1 36 36 THR HA H 36 4.214 4.214 4.328 -0.114 18441 5421 1 15 . 1 1 36 36 THR CA C 36 63.980 63.980 62.241 1.739 18441 5422 1 15 . 1 1 36 36 THR CB C 36 71.670 71.670 69.887 1.783 18441 5423 1 15 . 1 1 36 36 THR H H 36 8.569 8.569 8.283 0.286 18441 5424 1 15 . 1 1 37 37 MET N N 37 120.444 120.444 118.439 2.005 18441 5425 1 15 . 1 1 37 37 MET HA H 37 3.740 3.740 4.468 -0.728 18441 5426 1 15 . 1 1 37 37 MET CA C 37 56.430 56.430 56.477 -0.047 18441 5427 1 15 . 1 1 37 37 MET CB C 37 31.399 31.399 30.439 0.960 18441 5428 1 15 . 1 1 37 37 MET H H 37 9.542 9.542 7.926 1.616 18441 5429 1 15 . 1 1 38 38 ASP N N 38 117.020 117.020 120.261 -3.241 18441 5430 1 15 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.754 0.190 18441 5431 1 15 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.227 0.249 18441 5432 1 15 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.594 -0.554 18441 5433 1 15 . 1 1 38 38 ASP H H 38 7.456 7.456 7.734 -0.278 18441 5434 1 15 . 1 1 39 39 VAL N N 39 128.507 128.507 126.252 2.255 18441 5435 1 15 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.521 0.310 18441 5436 1 15 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.331 0.509 18441 5437 1 15 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.556 1.144 18441 5438 1 15 . 1 1 39 39 VAL H H 39 8.425 8.425 8.535 -0.110 18441 5439 1 15 . 1 1 40 40 ALA N N 40 125.621 125.621 122.281 3.340 18441 5440 1 15 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.056 -0.069 18441 5441 1 15 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.006 0.854 18441 5442 1 15 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.337 0.133 18441 5443 1 15 . 1 1 40 40 ALA H H 40 7.998 7.998 7.644 0.354 18441 5444 1 15 . 1 1 41 41 VAL N N 41 122.132 122.132 118.894 3.238 18441 5445 1 15 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.785 -0.214 18441 5446 1 15 . 1 1 41 41 VAL CA C 41 66.680 66.680 64.837 1.843 18441 5447 1 15 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.033 1.669 18441 5448 1 15 . 1 1 41 41 VAL H H 41 7.663 7.663 7.566 0.097 18441 5449 1 15 . 1 1 42 42 LEU N N 42 120.190 120.190 120.538 -0.348 18441 5450 1 15 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.891 0.369 18441 5451 1 15 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.959 0.031 18441 5452 1 15 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.644 -0.939 18441 5453 1 15 . 1 1 42 42 LEU H H 42 7.361 7.361 7.333 0.028 18441 5454 1 15 . 1 1 43 43 VAL N N 43 116.802 116.802 118.359 -1.557 18441 5455 1 15 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.465 -0.048 18441 5456 1 15 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.833 1.947 18441 5457 1 15 . 1 1 43 43 VAL CB C 43 31.980 31.980 31.140 0.840 18441 5458 1 15 . 1 1 43 43 VAL H H 43 8.062 8.062 7.711 0.351 18441 5459 1 15 . 1 1 44 44 GLY N N 44 106.242 106.242 107.383 -1.141 18441 5460 1 15 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.196 1.121 18441 5461 1 15 . 1 1 44 44 GLY H H 44 7.901 7.901 7.679 0.222 18441 5462 1 15 . 1 1 45 45 ASP N N 45 123.359 123.359 123.920 -0.561 18441 5463 1 15 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.500 0.165 18441 5464 1 15 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.946 -0.186 18441 5465 1 15 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.656 0.212 18441 5466 1 15 . 1 1 45 45 ASP H H 45 8.680 8.680 7.863 0.817 18441 5467 1 15 . 1 1 46 46 LEU N N 46 123.201 123.201 120.381 2.820 18441 5468 1 15 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.884 0.182 18441 5469 1 15 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.705 -0.585 18441 5470 1 15 . 1 1 46 46 LEU CB C 46 42.999 42.999 42.071 0.928 18441 5471 1 15 . 1 1 46 46 LEU H H 46 9.018 9.018 8.630 0.388 18441 5472 1 15 . 1 1 47 47 LYS N N 47 119.196 119.196 119.330 -0.134 18441 5473 1 15 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.955 0.015 18441 5474 1 15 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.782 0.508 18441 5475 1 15 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.202 0.939 18441 5476 1 15 . 1 1 47 47 LYS H H 47 8.017 8.017 7.777 0.240 18441 5477 1 15 . 1 1 48 48 LEU N N 48 116.358 116.358 119.167 -2.809 18441 5478 1 15 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.932 0.229 18441 5479 1 15 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.657 0.013 18441 5480 1 15 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.013 0.147 18441 5481 1 15 . 1 1 48 48 LEU H H 48 7.143 7.143 7.734 -0.591 18441 5482 1 15 . 1 1 49 49 VAL N N 49 112.662 112.662 115.794 -3.132 18441 5483 1 15 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.062 0.411 18441 5484 1 15 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.431 -0.371 18441 5485 1 15 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.712 2.454 18441 5486 1 15 . 1 1 49 49 VAL H H 49 7.266 7.266 7.560 -0.294 18441 5487 1 15 . 1 1 50 50 ILE N N 50 124.631 124.631 118.972 5.659 18441 5488 1 15 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.315 -0.470 18441 5489 1 15 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.677 0.913 18441 5490 1 15 . 1 1 50 50 ILE CB C 50 35.161 35.161 39.005 -3.844 18441 5491 1 15 . 1 1 50 50 ILE H H 50 8.475 8.475 7.528 0.947 18441 5492 1 15 . 1 1 51 51 ASN N N 51 119.027 119.027 119.731 -0.704 18441 5493 1 15 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.459 0.248 18441 5494 1 15 . 1 1 51 51 ASN CA C 51 53.448 53.448 52.810 0.638 18441 5495 1 15 . 1 1 51 51 ASN CB C 51 38.961 38.961 37.953 1.008 18441 5496 1 15 . 1 1 51 51 ASN H H 51 7.347 7.347 7.965 -0.618 18441 5497 1 15 . 1 1 52 52 GLU N N 52 115.889 115.889 118.219 -2.330 18441 5498 1 15 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.675 0.213 18441 5499 1 15 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.853 1.932 18441 5500 1 15 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.192 -0.172 18441 5501 1 15 . 1 1 52 52 GLU H H 52 7.438 7.438 7.611 -0.173 18441 5502 1 15 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.172 0.038 18441 5503 1 15 . 1 1 53 53 PRO CA C 53 66.960 66.960 66.153 0.807 18441 5504 1 15 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.782 1.166 18441 5505 1 15 . 1 1 54 54 SER N N 54 113.711 113.711 111.370 2.341 18441 5506 1 15 . 1 1 54 54 SER HA H 54 4.173 4.173 4.294 -0.121 18441 5507 1 15 . 1 1 54 54 SER CA C 54 61.650 61.650 60.328 1.322 18441 5508 1 15 . 1 1 54 54 SER CB C 54 62.930 62.930 63.327 -0.397 18441 5509 1 15 . 1 1 54 54 SER H H 54 8.946 8.946 8.384 0.562 18441 5510 1 15 . 1 1 55 55 ARG N N 55 116.455 116.455 118.823 -2.368 18441 5511 1 15 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.359 0.045 18441 5512 1 15 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.966 0.344 18441 5513 1 15 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.363 3.249 18441 5514 1 15 . 1 1 55 55 ARG H H 55 7.759 7.759 7.777 -0.018 18441 5515 1 15 . 1 1 56 56 LEU N N 56 121.468 121.468 123.340 -1.872 18441 5516 1 15 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.222 -0.087 18441 5517 1 15 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.944 -0.044 18441 5518 1 15 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.588 1.409 18441 5519 1 15 . 1 1 56 56 LEU H H 56 7.472 7.472 8.451 -0.979 18441 5520 1 15 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.223 0.473 18441 5521 1 15 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.146 0.034 18441 5522 1 15 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.160 1.230 18441 5523 1 15 . 1 1 58 58 LEU N N 58 119.923 119.923 117.619 2.304 18441 5524 1 15 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.192 -0.142 18441 5525 1 15 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.673 0.647 18441 5526 1 15 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.596 0.432 18441 5527 1 15 . 1 1 58 58 LEU H H 58 8.734 8.734 7.634 1.100 18441 5528 1 15 . 1 1 59 59 PHE N N 59 116.632 116.632 121.006 -4.374 18441 5529 1 15 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.236 0.243 18441 5530 1 15 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.988 1.092 18441 5531 1 15 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.103 -0.251 18441 5532 1 15 . 1 1 59 59 PHE H H 59 8.312 8.312 8.633 -0.321 18441 5533 1 15 . 1 1 60 60 ASP N N 60 120.603 120.603 118.760 1.843 18441 5534 1 15 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.484 0.187 18441 5535 1 15 . 1 1 60 60 ASP CA C 60 57.870 57.870 55.989 1.881 18441 5536 1 15 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.984 0.557 18441 5537 1 15 . 1 1 60 60 ASP H H 60 7.462 7.462 7.918 -0.456 18441 5538 1 15 . 1 1 61 61 ALA N N 61 122.470 122.470 122.038 0.432 18441 5539 1 15 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.025 0.236 18441 5540 1 15 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.284 0.262 18441 5541 1 15 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.641 0.239 18441 5542 1 15 . 1 1 61 61 ALA H H 61 7.664 7.664 7.606 0.058 18441 5543 1 15 . 1 1 62 62 ILE N N 62 115.525 115.525 117.861 -2.336 18441 5544 1 15 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.833 0.849 18441 5545 1 15 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.197 0.223 18441 5546 1 15 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.947 2.208 18441 5547 1 15 . 1 1 62 62 ILE H H 62 7.653 7.653 7.544 0.109 18441 5548 1 15 . 1 1 63 63 ARG N N 63 121.016 121.016 120.131 0.885 18441 5549 1 15 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.533 -0.059 18441 5550 1 15 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.698 0.672 18441 5551 1 15 . 1 1 63 63 ARG H H 63 6.917 6.917 7.247 -0.330 18441 5552 1 15 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.099 0.212 18441 5553 1 15 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.578 0.162 18441 5554 1 15 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.039 1.148 18441 5555 1 15 . 1 1 65 65 LEU N N 65 114.713 114.713 115.289 -0.576 18441 5556 1 15 . 1 1 65 65 LEU HA H 65 3.920 3.920 3.978 -0.058 18441 5557 1 15 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.195 -0.535 18441 5558 1 15 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.737 0.371 18441 5559 1 15 . 1 1 65 65 LEU H H 65 8.074 8.074 7.565 0.509 18441 5560 1 15 . 1 1 66 66 ILE N N 66 120.129 120.129 118.466 1.663 18441 5561 1 15 . 1 1 66 66 ILE HA H 66 4.305 4.305 3.799 0.506 18441 5562 1 15 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.347 -4.587 18441 5563 1 15 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.540 -0.896 18441 5564 1 15 . 1 1 66 66 ILE H H 66 7.398 7.398 7.456 -0.058 18441 5565 1 15 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.401 -0.096 18441 5566 1 15 . 1 1 67 67 PRO CA C 67 63.640 63.640 61.955 1.685 18441 5567 1 15 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.534 0.755 18441 5568 1 15 . 1 1 68 68 LEU N N 68 124.673 124.673 122.985 1.688 18441 5569 1 15 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.984 -0.134 18441 5570 1 15 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.117 0.503 18441 5571 1 15 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.332 1.135 18441 5572 1 15 . 1 1 68 68 LEU H H 68 8.471 8.471 8.439 0.032 18441 5573 1 15 . 1 1 69 69 LYS N N 69 115.247 115.247 117.437 -2.190 18441 5574 1 15 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.052 0.117 18441 5575 1 15 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.465 -0.445 18441 5576 1 15 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.063 1.443 18441 5577 1 15 . 1 1 69 69 LYS H H 69 8.536 8.536 8.633 -0.097 18441 5578 1 15 . 1 1 70 70 HIS N N 70 118.849 118.849 118.707 0.142 18441 5579 1 15 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.380 0.845 18441 5580 1 15 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.394 -3.505 18441 5581 1 15 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.673 5.365 18441 5582 1 15 . 1 1 70 70 HIS H H 70 8.060 8.060 8.362 -0.302 18441 5583 1 15 . 1 1 71 71 GLN N N 71 122.130 122.130 119.671 2.459 18441 5584 1 15 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.066 -0.367 18441 5585 1 15 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.481 2.209 18441 5586 1 15 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.795 0.455 18441 5587 1 15 . 1 1 71 71 GLN H H 71 7.732 7.732 8.535 -0.803 18441 5588 1 15 . 1 1 72 72 VAL N N 72 119.182 119.182 119.914 -0.732 18441 5589 1 15 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.663 0.145 18441 5590 1 15 . 1 1 72 72 VAL CA C 72 67.220 67.220 67.122 0.098 18441 5591 1 15 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.773 0.041 18441 5592 1 15 . 1 1 72 72 VAL H H 72 8.203 8.203 7.878 0.325 18441 5593 1 15 . 1 1 73 73 GLU N N 73 121.878 121.878 120.016 1.862 18441 5594 1 15 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.049 -0.071 18441 5595 1 15 . 1 1 73 73 GLU CA C 73 60.100 60.100 58.958 1.142 18441 5596 1 15 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.440 1.220 18441 5597 1 15 . 1 1 73 73 GLU H H 73 8.136 8.136 7.884 0.252 18441 5598 1 15 . 1 1 74 74 TYR N N 74 119.780 119.780 120.628 -0.848 18441 5599 1 15 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.153 -0.476 18441 5600 1 15 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.483 1.827 18441 5601 1 15 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.639 1.381 18441 5602 1 15 . 1 1 74 74 TYR H H 74 8.491 8.491 8.594 -0.103 18441 5603 1 15 . 1 1 75 75 ASP N N 75 120.231 120.231 119.309 0.922 18441 5604 1 15 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.406 -0.263 18441 5605 1 15 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.426 0.134 18441 5606 1 15 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.779 -0.201 18441 5607 1 15 . 1 1 75 75 ASP H H 75 8.566 8.566 7.946 0.620 18441 5608 1 15 . 1 1 76 76 GLN N N 76 118.324 118.324 119.006 -0.682 18441 5609 1 15 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.137 -0.081 18441 5610 1 15 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.514 -0.084 18441 5611 1 15 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.918 0.512 18441 5612 1 15 . 1 1 76 76 GLN H H 76 7.844 7.844 7.881 -0.037 18441 5613 1 15 . 1 1 77 77 LEU N N 77 117.932 117.932 117.321 0.611 18441 5614 1 15 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.257 -0.060 18441 5615 1 15 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.364 -0.454 18441 5616 1 15 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.212 3.192 18441 5617 1 15 . 1 1 77 77 LEU H H 77 7.665 7.665 7.559 0.106 18441 5618 1 15 . 1 1 78 78 THR N N 78 110.323 110.323 110.822 -0.499 18441 5619 1 15 . 1 1 78 78 THR HA H 78 3.709 3.709 4.178 -0.469 18441 5620 1 15 . 1 1 78 78 THR CA C 78 59.750 59.750 64.318 -4.568 18441 5621 1 15 . 1 1 78 78 THR CB C 78 69.110 69.110 66.873 2.237 18441 5622 1 15 . 1 1 78 78 THR H H 78 7.130 7.130 7.615 -0.485 18441 5623 1 15 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.358 -0.112 18441 5624 1 15 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.260 0.420 18441 5625 1 15 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.095 0.296 18441 5626 1 16 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.929 -0.399 18441 5627 1 16 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.002 1.588 18441 5628 1 16 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.194 -0.501 18441 5629 1 16 . 1 1 3 3 ARG N N 3 121.498 121.498 123.429 -1.931 18441 5630 1 16 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.454 -0.213 18441 5631 1 16 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.535 0.135 18441 5632 1 16 . 1 1 3 3 ARG CB C 3 30.510 30.510 31.324 -0.814 18441 5633 1 16 . 1 1 3 3 ARG H H 3 8.382 8.382 8.740 -0.358 18441 5634 1 16 . 1 1 4 4 LYS N N 4 122.257 122.257 121.544 0.713 18441 5635 1 16 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.155 -0.097 18441 5636 1 16 . 1 1 4 4 LYS CA C 4 59.710 59.710 58.994 0.716 18441 5637 1 16 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.546 1.730 18441 5638 1 16 . 1 1 4 4 LYS H H 4 8.226 8.226 8.468 -0.242 18441 5639 1 16 . 1 1 5 5 VAL N N 5 120.494 120.494 118.447 2.047 18441 5640 1 16 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.812 -0.091 18441 5641 1 16 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.431 1.218 18441 5642 1 16 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.363 0.711 18441 5643 1 16 . 1 1 5 5 VAL H H 5 8.109 8.109 8.076 0.033 18441 5644 1 16 . 1 1 6 6 ALA N N 6 123.149 123.149 122.874 0.275 18441 5645 1 16 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.243 -0.208 18441 5646 1 16 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.073 0.817 18441 5647 1 16 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.290 0.971 18441 5648 1 16 . 1 1 6 6 ALA H H 6 8.374 8.374 8.063 0.311 18441 5649 1 16 . 1 1 7 7 ARG N N 7 119.587 119.587 118.687 0.900 18441 5650 1 16 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.903 0.098 18441 5651 1 16 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.410 0.360 18441 5652 1 16 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.143 0.627 18441 5653 1 16 . 1 1 7 7 ARG H H 7 7.992 7.992 7.935 0.057 18441 5654 1 16 . 1 1 8 8 GLU N N 8 119.745 119.745 119.808 -0.063 18441 5655 1 16 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.005 0.053 18441 5656 1 16 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.732 0.038 18441 5657 1 16 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.804 0.146 18441 5658 1 16 . 1 1 8 8 GLU H H 8 8.165 8.165 7.952 0.213 18441 5659 1 16 . 1 1 9 9 PHE N N 9 121.436 121.436 119.870 1.566 18441 5660 1 16 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.389 -0.262 18441 5661 1 16 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.868 3.152 18441 5662 1 16 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.486 1.137 18441 5663 1 16 . 1 1 9 9 PHE H H 9 8.180 8.180 8.117 0.063 18441 5664 1 16 . 1 1 10 10 ARG N N 10 119.028 119.028 119.492 -0.464 18441 5665 1 16 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.595 0.266 18441 5666 1 16 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.427 1.153 18441 5667 1 16 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.183 1.137 18441 5668 1 16 . 1 1 10 10 ARG H H 10 7.910 7.910 7.959 -0.049 18441 5669 1 16 . 1 1 11 11 HIS N N 11 116.563 116.563 118.620 -2.057 18441 5670 1 16 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.264 0.192 18441 5671 1 16 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.937 -0.757 18441 5672 1 16 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.815 0.215 18441 5673 1 16 . 1 1 11 11 HIS H H 11 8.001 8.001 8.149 -0.148 18441 5674 1 16 . 1 1 12 12 LYS N N 12 120.773 120.773 119.327 1.446 18441 5675 1 16 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.088 -0.080 18441 5676 1 16 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.726 0.254 18441 5677 1 16 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.391 0.302 18441 5678 1 16 . 1 1 12 12 LYS H H 12 7.796 7.796 7.803 -0.007 18441 5679 1 16 . 1 1 13 13 VAL N N 13 120.125 120.125 120.089 0.036 18441 5680 1 16 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.660 -0.549 18441 5681 1 16 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.968 1.212 18441 5682 1 16 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.309 0.831 18441 5683 1 16 . 1 1 13 13 VAL H H 13 7.821 7.821 7.870 -0.049 18441 5684 1 16 . 1 1 14 14 ASP N N 14 117.462 117.462 119.146 -1.684 18441 5685 1 16 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.273 -0.011 18441 5686 1 16 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.956 0.444 18441 5687 1 16 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.639 0.675 18441 5688 1 16 . 1 1 14 14 ASP H H 14 8.276 8.276 7.713 0.563 18441 5689 1 16 . 1 1 15 15 PHE N N 15 117.914 117.914 118.442 -0.528 18441 5690 1 16 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.265 0.097 18441 5691 1 16 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.544 -0.354 18441 5692 1 16 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.608 1.089 18441 5693 1 16 . 1 1 15 15 PHE H H 15 7.664 7.664 7.603 0.061 18441 5694 1 16 . 1 1 16 16 LEU N N 16 116.737 116.737 116.102 0.635 18441 5695 1 16 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.345 -0.111 18441 5696 1 16 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.479 1.941 18441 5697 1 16 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.240 2.838 18441 5698 1 16 . 1 1 16 16 LEU H H 16 7.658 7.658 7.858 -0.200 18441 5699 1 16 . 1 1 17 17 ILE N N 17 120.533 120.533 117.934 2.599 18441 5700 1 16 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.393 -0.285 18441 5701 1 16 . 1 1 17 17 ILE CA C 17 60.540 60.540 58.985 1.555 18441 5702 1 16 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.309 1.048 18441 5703 1 16 . 1 1 17 17 ILE H H 17 8.336 8.336 7.160 1.176 18441 5704 1 16 . 1 1 18 18 GLU N N 18 124.531 124.531 123.382 1.149 18441 5705 1 16 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.005 0.205 18441 5706 1 16 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.570 0.030 18441 5707 1 16 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.543 1.467 18441 5708 1 16 . 1 1 18 18 GLU H H 18 8.276 8.276 8.536 -0.260 18441 5709 1 16 . 1 1 19 19 ASN N N 19 117.630 117.630 119.858 -2.228 18441 5710 1 16 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.638 0.167 18441 5711 1 16 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.089 -0.351 18441 5712 1 16 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.110 2.068 18441 5713 1 16 . 1 1 19 19 ASN H H 19 7.700 7.700 7.673 0.027 18441 5714 1 16 . 1 1 20 20 ASP N N 20 127.428 127.428 123.236 4.192 18441 5715 1 16 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.411 -0.162 18441 5716 1 16 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.905 1.945 18441 5717 1 16 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.037 0.277 18441 5718 1 16 . 1 1 20 20 ASP H H 20 8.998 8.998 8.763 0.235 18441 5719 1 16 . 1 1 21 21 ALA N N 21 122.271 122.271 122.820 -0.549 18441 5720 1 16 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.114 0.146 18441 5721 1 16 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.033 0.967 18441 5722 1 16 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.175 0.475 18441 5723 1 16 . 1 1 21 21 ALA H H 21 8.346 8.346 8.125 0.221 18441 5724 1 16 . 1 1 22 22 GLU N N 22 118.716 118.716 118.173 0.543 18441 5725 1 16 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.933 0.181 18441 5726 1 16 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.978 0.382 18441 5727 1 16 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.140 2.632 18441 5728 1 16 . 1 1 22 22 GLU H H 22 7.724 7.724 8.820 -1.096 18441 5729 1 16 . 1 1 23 23 LYS N N 23 121.088 121.088 117.573 3.515 18441 5730 1 16 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.745 0.066 18441 5731 1 16 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.949 2.721 18441 5732 1 16 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.912 1.158 18441 5733 1 16 . 1 1 23 23 LYS H H 23 7.618 7.618 7.409 0.209 18441 5734 1 16 . 1 1 24 24 ASP N N 24 119.010 119.010 120.720 -1.710 18441 5735 1 16 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.614 -0.125 18441 5736 1 16 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.171 1.339 18441 5737 1 16 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.769 0.069 18441 5738 1 16 . 1 1 24 24 ASP H H 24 8.424 8.424 7.803 0.621 18441 5739 1 16 . 1 1 25 25 TYR N N 25 120.417 120.417 120.610 -0.193 18441 5740 1 16 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.237 0.006 18441 5741 1 16 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.528 0.662 18441 5742 1 16 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.512 -0.013 18441 5743 1 16 . 1 1 25 25 TYR H H 25 7.676 7.676 8.113 -0.437 18441 5744 1 16 . 1 1 26 26 LEU N N 26 120.960 120.960 119.876 1.084 18441 5745 1 16 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.807 -0.206 18441 5746 1 16 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.370 1.070 18441 5747 1 16 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.644 0.507 18441 5748 1 16 . 1 1 26 26 LEU H H 26 7.965 7.965 7.750 0.215 18441 5749 1 16 . 1 1 27 27 TYR N N 27 116.521 116.521 118.373 -1.852 18441 5750 1 16 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.069 -0.293 18441 5751 1 16 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.833 4.577 18441 5752 1 16 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.197 1.206 18441 5753 1 16 . 1 1 27 27 TYR H H 27 8.097 8.097 8.326 -0.229 18441 5754 1 16 . 1 1 28 28 ASP N N 28 123.384 123.384 119.782 3.602 18441 5755 1 16 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.406 0.070 18441 5756 1 16 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.942 0.598 18441 5757 1 16 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.715 0.679 18441 5758 1 16 . 1 1 28 28 ASP H H 28 8.355 8.355 7.865 0.489 18441 5759 1 16 . 1 1 29 29 VAL N N 29 121.272 121.272 119.874 1.398 18441 5760 1 16 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.651 0.062 18441 5761 1 16 . 1 1 29 29 VAL CA C 29 66.650 66.650 65.450 1.200 18441 5762 1 16 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.037 0.881 18441 5763 1 16 . 1 1 29 29 VAL H H 29 8.252 8.252 8.032 0.220 18441 5764 1 16 . 1 1 30 30 LEU N N 30 122.443 122.443 120.011 2.432 18441 5765 1 16 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.028 0.015 18441 5766 1 16 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.553 0.327 18441 5767 1 16 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.418 0.863 18441 5768 1 16 . 1 1 30 30 LEU H H 30 7.987 7.987 8.281 -0.294 18441 5769 1 16 . 1 1 31 31 ARG N N 31 122.386 122.386 118.145 4.241 18441 5770 1 16 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.001 0.015 18441 5771 1 16 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.727 0.653 18441 5772 1 16 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.138 0.262 18441 5773 1 16 . 1 1 31 31 ARG H H 31 8.637 8.637 8.066 0.571 18441 5774 1 16 . 1 1 32 32 MET N N 32 120.006 120.006 119.139 0.867 18441 5775 1 16 . 1 1 32 32 MET HA H 32 4.359 4.359 4.167 0.192 18441 5776 1 16 . 1 1 32 32 MET CA C 32 58.490 58.490 59.763 -1.273 18441 5777 1 16 . 1 1 32 32 MET CB C 32 31.677 31.677 32.565 -0.888 18441 5778 1 16 . 1 1 32 32 MET H H 32 8.327 8.327 7.888 0.439 18441 5779 1 16 . 1 1 33 33 TYR N N 33 123.220 123.220 120.235 2.985 18441 5780 1 16 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.192 0.532 18441 5781 1 16 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.964 0.036 18441 5782 1 16 . 1 1 33 33 TYR CB C 33 39.687 39.687 38.063 1.624 18441 5783 1 16 . 1 1 33 33 TYR H H 33 8.054 8.054 8.074 -0.020 18441 5784 1 16 . 1 1 34 34 HIS N N 34 120.860 120.860 117.370 3.490 18441 5785 1 16 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.376 -0.600 18441 5786 1 16 . 1 1 34 34 HIS CA C 34 60.710 60.710 58.957 1.753 18441 5787 1 16 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.594 0.798 18441 5788 1 16 . 1 1 34 34 HIS H H 34 8.548 8.548 8.005 0.543 18441 5789 1 16 . 1 1 35 35 GLN N N 35 113.582 113.582 118.649 -5.067 18441 5790 1 16 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.277 -0.277 18441 5791 1 16 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.354 0.326 18441 5792 1 16 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.203 1.347 18441 5793 1 16 . 1 1 35 35 GLN H H 35 7.542 7.542 8.604 -1.062 18441 5794 1 16 . 1 1 36 36 THR N N 36 111.117 111.117 112.413 -1.296 18441 5795 1 16 . 1 1 36 36 THR HA H 36 4.214 4.214 4.331 -0.117 18441 5796 1 16 . 1 1 36 36 THR CA C 36 63.980 63.980 62.292 1.688 18441 5797 1 16 . 1 1 36 36 THR CB C 36 71.670 71.670 69.829 1.841 18441 5798 1 16 . 1 1 36 36 THR H H 36 8.569 8.569 8.343 0.226 18441 5799 1 16 . 1 1 37 37 MET N N 37 120.444 120.444 119.572 0.872 18441 5800 1 16 . 1 1 37 37 MET HA H 37 3.740 3.740 4.427 -0.687 18441 5801 1 16 . 1 1 37 37 MET CA C 37 56.430 56.430 56.649 -0.219 18441 5802 1 16 . 1 1 37 37 MET CB C 37 31.399 31.399 31.844 -0.445 18441 5803 1 16 . 1 1 37 37 MET H H 37 9.542 9.542 8.088 1.454 18441 5804 1 16 . 1 1 38 38 ASP N N 38 117.020 117.020 117.535 -0.515 18441 5805 1 16 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.755 0.189 18441 5806 1 16 . 1 1 38 38 ASP CA C 38 53.476 53.476 52.303 1.173 18441 5807 1 16 . 1 1 38 38 ASP CB C 38 42.040 42.040 41.231 0.809 18441 5808 1 16 . 1 1 38 38 ASP H H 38 7.456 7.456 7.743 -0.287 18441 5809 1 16 . 1 1 39 39 VAL N N 39 128.507 128.507 122.154 6.353 18441 5810 1 16 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.600 0.231 18441 5811 1 16 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.057 0.783 18441 5812 1 16 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.260 1.440 18441 5813 1 16 . 1 1 39 39 VAL H H 39 8.425 8.425 8.543 -0.118 18441 5814 1 16 . 1 1 40 40 ALA N N 40 125.621 125.621 123.120 2.501 18441 5815 1 16 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.237 -0.250 18441 5816 1 16 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.142 0.719 18441 5817 1 16 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.089 0.381 18441 5818 1 16 . 1 1 40 40 ALA H H 40 7.998 7.998 8.148 -0.150 18441 5819 1 16 . 1 1 41 41 VAL N N 41 122.132 122.132 118.685 3.447 18441 5820 1 16 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.750 -0.179 18441 5821 1 16 . 1 1 41 41 VAL CA C 41 66.680 66.680 64.997 1.683 18441 5822 1 16 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.329 1.373 18441 5823 1 16 . 1 1 41 41 VAL H H 41 7.663 7.663 8.006 -0.343 18441 5824 1 16 . 1 1 42 42 LEU N N 42 120.190 120.190 120.338 -0.148 18441 5825 1 16 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.862 0.398 18441 5826 1 16 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.797 0.193 18441 5827 1 16 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.783 -1.079 18441 5828 1 16 . 1 1 42 42 LEU H H 42 7.361 7.361 7.443 -0.082 18441 5829 1 16 . 1 1 43 43 VAL N N 43 116.802 116.802 118.757 -1.955 18441 5830 1 16 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.636 -0.219 18441 5831 1 16 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.771 2.009 18441 5832 1 16 . 1 1 43 43 VAL CB C 43 31.980 31.980 31.296 0.684 18441 5833 1 16 . 1 1 43 43 VAL H H 43 8.062 8.062 7.755 0.307 18441 5834 1 16 . 1 1 44 44 GLY N N 44 106.242 106.242 107.731 -1.489 18441 5835 1 16 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.216 1.100 18441 5836 1 16 . 1 1 44 44 GLY H H 44 7.901 7.901 7.705 0.196 18441 5837 1 16 . 1 1 45 45 ASP N N 45 123.359 123.359 123.594 -0.235 18441 5838 1 16 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.541 0.124 18441 5839 1 16 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.370 0.390 18441 5840 1 16 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.377 0.491 18441 5841 1 16 . 1 1 45 45 ASP H H 45 8.680 8.680 7.782 0.898 18441 5842 1 16 . 1 1 46 46 LEU N N 46 123.201 123.201 120.009 3.192 18441 5843 1 16 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.663 0.403 18441 5844 1 16 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.936 0.184 18441 5845 1 16 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.462 1.538 18441 5846 1 16 . 1 1 46 46 LEU H H 46 9.018 9.018 8.519 0.499 18441 5847 1 16 . 1 1 47 47 LYS N N 47 119.196 119.196 118.385 0.811 18441 5848 1 16 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.916 0.054 18441 5849 1 16 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.566 0.724 18441 5850 1 16 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.300 0.841 18441 5851 1 16 . 1 1 47 47 LYS H H 47 8.017 8.017 7.512 0.505 18441 5852 1 16 . 1 1 48 48 LEU N N 48 116.358 116.358 118.491 -2.133 18441 5853 1 16 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.969 0.192 18441 5854 1 16 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.740 -0.070 18441 5855 1 16 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.513 -0.353 18441 5856 1 16 . 1 1 48 48 LEU H H 48 7.143 7.143 7.516 -0.373 18441 5857 1 16 . 1 1 49 49 VAL N N 49 112.662 112.662 114.018 -1.356 18441 5858 1 16 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.973 0.500 18441 5859 1 16 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.068 -0.007 18441 5860 1 16 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.679 2.487 18441 5861 1 16 . 1 1 49 49 VAL H H 49 7.266 7.266 7.467 -0.201 18441 5862 1 16 . 1 1 50 50 ILE N N 50 124.631 124.631 118.718 5.913 18441 5863 1 16 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.309 -0.464 18441 5864 1 16 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.588 1.002 18441 5865 1 16 . 1 1 50 50 ILE CB C 50 35.161 35.161 37.942 -2.781 18441 5866 1 16 . 1 1 50 50 ILE H H 50 8.475 8.475 7.582 0.893 18441 5867 1 16 . 1 1 51 51 ASN N N 51 119.027 119.027 118.828 0.199 18441 5868 1 16 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.713 -0.006 18441 5869 1 16 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.149 0.299 18441 5870 1 16 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.283 0.678 18441 5871 1 16 . 1 1 51 51 ASN H H 51 7.347 7.347 8.090 -0.743 18441 5872 1 16 . 1 1 52 52 GLU N N 52 115.889 115.889 118.798 -2.909 18441 5873 1 16 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.802 0.086 18441 5874 1 16 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.066 1.719 18441 5875 1 16 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.631 0.389 18441 5876 1 16 . 1 1 52 52 GLU H H 52 7.438 7.438 7.331 0.107 18441 5877 1 16 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.284 -0.074 18441 5878 1 16 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.491 1.469 18441 5879 1 16 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.953 0.995 18441 5880 1 16 . 1 1 54 54 SER N N 54 113.711 113.711 110.094 3.617 18441 5881 1 16 . 1 1 54 54 SER HA H 54 4.173 4.173 4.408 -0.235 18441 5882 1 16 . 1 1 54 54 SER CA C 54 61.650 61.650 60.423 1.226 18441 5883 1 16 . 1 1 54 54 SER CB C 54 62.930 62.930 63.412 -0.482 18441 5884 1 16 . 1 1 54 54 SER H H 54 8.946 8.946 8.223 0.723 18441 5885 1 16 . 1 1 55 55 ARG N N 55 116.455 116.455 119.168 -2.713 18441 5886 1 16 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.341 0.063 18441 5887 1 16 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.044 0.266 18441 5888 1 16 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.364 3.248 18441 5889 1 16 . 1 1 55 55 ARG H H 55 7.759 7.759 7.814 -0.055 18441 5890 1 16 . 1 1 56 56 LEU N N 56 121.468 121.468 123.221 -1.753 18441 5891 1 16 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.336 -0.201 18441 5892 1 16 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.936 -0.036 18441 5893 1 16 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.524 1.473 18441 5894 1 16 . 1 1 56 56 LEU H H 56 7.472 7.472 8.491 -1.019 18441 5895 1 16 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.220 0.476 18441 5896 1 16 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.194 -0.014 18441 5897 1 16 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.164 1.226 18441 5898 1 16 . 1 1 58 58 LEU N N 58 119.923 119.923 117.404 2.519 18441 5899 1 16 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.182 -0.132 18441 5900 1 16 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.506 0.814 18441 5901 1 16 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.549 0.479 18441 5902 1 16 . 1 1 58 58 LEU H H 58 8.734 8.734 7.653 1.081 18441 5903 1 16 . 1 1 59 59 PHE N N 59 116.632 116.632 121.252 -4.620 18441 5904 1 16 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.392 0.087 18441 5905 1 16 . 1 1 59 59 PHE CA C 59 63.080 63.080 59.715 3.365 18441 5906 1 16 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.830 0.022 18441 5907 1 16 . 1 1 59 59 PHE H H 59 8.312 8.312 8.619 -0.307 18441 5908 1 16 . 1 1 60 60 ASP N N 60 120.603 120.603 118.805 1.798 18441 5909 1 16 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.502 0.169 18441 5910 1 16 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.652 1.218 18441 5911 1 16 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.179 0.362 18441 5912 1 16 . 1 1 60 60 ASP H H 60 7.462 7.462 7.863 -0.401 18441 5913 1 16 . 1 1 61 61 ALA N N 61 122.470 122.470 121.419 1.051 18441 5914 1 16 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.014 0.247 18441 5915 1 16 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.421 0.125 18441 5916 1 16 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.547 0.333 18441 5917 1 16 . 1 1 61 61 ALA H H 61 7.664 7.664 7.573 0.091 18441 5918 1 16 . 1 1 62 62 ILE N N 62 115.525 115.525 118.169 -2.644 18441 5919 1 16 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.063 0.619 18441 5920 1 16 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.164 0.256 18441 5921 1 16 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.007 2.148 18441 5922 1 16 . 1 1 62 62 ILE H H 62 7.653 7.653 7.462 0.191 18441 5923 1 16 . 1 1 63 63 ARG N N 63 121.016 121.016 121.346 -0.330 18441 5924 1 16 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.522 -0.048 18441 5925 1 16 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.235 1.135 18441 5926 1 16 . 1 1 63 63 ARG H H 63 6.917 6.917 7.475 -0.558 18441 5927 1 16 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.163 0.148 18441 5928 1 16 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.174 0.566 18441 5929 1 16 . 1 1 64 64 PRO CB C 64 32.187 32.187 30.988 1.199 18441 5930 1 16 . 1 1 65 65 LEU N N 65 114.713 114.713 116.749 -2.036 18441 5931 1 16 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.012 -0.092 18441 5932 1 16 . 1 1 65 65 LEU CA C 65 55.660 55.660 55.917 -0.257 18441 5933 1 16 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.771 0.337 18441 5934 1 16 . 1 1 65 65 LEU H H 65 8.074 8.074 7.442 0.632 18441 5935 1 16 . 1 1 66 66 ILE N N 66 120.129 120.129 118.169 1.960 18441 5936 1 16 . 1 1 66 66 ILE HA H 66 4.305 4.305 3.726 0.579 18441 5937 1 16 . 1 1 66 66 ILE CA C 66 56.760 56.760 60.913 -4.153 18441 5938 1 16 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.375 -0.731 18441 5939 1 16 . 1 1 66 66 ILE H H 66 7.398 7.398 7.301 0.097 18441 5940 1 16 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.393 -0.088 18441 5941 1 16 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.346 1.294 18441 5942 1 16 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.498 0.791 18441 5943 1 16 . 1 1 68 68 LEU N N 68 124.673 124.673 122.339 2.334 18441 5944 1 16 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.905 -0.055 18441 5945 1 16 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.417 0.203 18441 5946 1 16 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.737 0.730 18441 5947 1 16 . 1 1 68 68 LEU H H 68 8.471 8.471 8.441 0.030 18441 5948 1 16 . 1 1 69 69 LYS N N 69 115.247 115.247 119.513 -4.266 18441 5949 1 16 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.090 0.079 18441 5950 1 16 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.412 -0.392 18441 5951 1 16 . 1 1 69 69 LYS CB C 69 32.506 32.506 32.033 0.473 18441 5952 1 16 . 1 1 69 69 LYS H H 69 8.536 8.536 8.523 0.013 18441 5953 1 16 . 1 1 70 70 HIS N N 70 118.849 118.849 117.225 1.624 18441 5954 1 16 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.374 0.851 18441 5955 1 16 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.641 -3.752 18441 5956 1 16 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.828 5.210 18441 5957 1 16 . 1 1 70 70 HIS H H 70 8.060 8.060 8.556 -0.496 18441 5958 1 16 . 1 1 71 71 GLN N N 71 122.130 122.130 119.309 2.821 18441 5959 1 16 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.105 -0.406 18441 5960 1 16 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.132 2.558 18441 5961 1 16 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.377 0.873 18441 5962 1 16 . 1 1 71 71 GLN H H 71 7.732 7.732 8.583 -0.851 18441 5963 1 16 . 1 1 72 72 VAL N N 72 119.182 119.182 119.598 -0.416 18441 5964 1 16 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.631 0.177 18441 5965 1 16 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.823 0.397 18441 5966 1 16 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.473 0.341 18441 5967 1 16 . 1 1 72 72 VAL H H 72 8.203 8.203 8.097 0.106 18441 5968 1 16 . 1 1 73 73 GLU N N 73 121.878 121.878 120.017 1.861 18441 5969 1 16 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.005 -0.027 18441 5970 1 16 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.367 0.733 18441 5971 1 16 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.512 1.148 18441 5972 1 16 . 1 1 73 73 GLU H H 73 8.136 8.136 7.863 0.273 18441 5973 1 16 . 1 1 74 74 TYR N N 74 119.780 119.780 120.733 -0.953 18441 5974 1 16 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.154 -0.477 18441 5975 1 16 . 1 1 74 74 TYR CA C 74 63.310 63.310 62.191 1.119 18441 5976 1 16 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.519 1.501 18441 5977 1 16 . 1 1 74 74 TYR H H 74 8.491 8.491 8.598 -0.107 18441 5978 1 16 . 1 1 75 75 ASP N N 75 120.231 120.231 118.203 2.028 18441 5979 1 16 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.372 -0.229 18441 5980 1 16 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.826 0.734 18441 5981 1 16 . 1 1 75 75 ASP CB C 75 40.578 40.578 41.124 -0.546 18441 5982 1 16 . 1 1 75 75 ASP H H 75 8.566 8.566 7.936 0.630 18441 5983 1 16 . 1 1 76 76 GLN N N 76 118.324 118.324 116.610 1.714 18441 5984 1 16 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.044 0.012 18441 5985 1 16 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.200 0.230 18441 5986 1 16 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.212 0.218 18441 5987 1 16 . 1 1 76 76 GLN H H 76 7.844 7.844 7.721 0.123 18441 5988 1 16 . 1 1 77 77 LEU N N 77 117.932 117.932 117.230 0.702 18441 5989 1 16 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.245 -0.048 18441 5990 1 16 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.665 0.245 18441 5991 1 16 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.948 2.456 18441 5992 1 16 . 1 1 77 77 LEU H H 77 7.665 7.665 7.449 0.216 18441 5993 1 16 . 1 1 78 78 THR N N 78 110.323 110.323 112.028 -1.705 18441 5994 1 16 . 1 1 78 78 THR HA H 78 3.709 3.709 4.315 -0.606 18441 5995 1 16 . 1 1 78 78 THR CA C 78 59.750 59.750 58.880 0.870 18441 5996 1 16 . 1 1 78 78 THR CB C 78 69.110 69.110 68.823 0.287 18441 5997 1 16 . 1 1 78 78 THR H H 78 7.130 7.130 7.603 -0.473 18441 5998 1 16 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.314 -0.068 18441 5999 1 16 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.525 0.155 18441 6000 1 16 . 1 1 79 79 PRO CB C 79 32.391 32.391 31.919 0.472 18441 6001 1 17 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.923 -0.393 18441 6002 1 17 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.002 1.588 18441 6003 1 17 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.360 0.333 18441 6004 1 17 . 1 1 3 3 ARG N N 3 121.498 121.498 119.841 1.657 18441 6005 1 17 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.230 0.011 18441 6006 1 17 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.838 -0.168 18441 6007 1 17 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.515 -0.005 18441 6008 1 17 . 1 1 3 3 ARG H H 3 8.382 8.382 8.159 0.223 18441 6009 1 17 . 1 1 4 4 LYS N N 4 122.257 122.257 120.973 1.284 18441 6010 1 17 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.089 -0.031 18441 6011 1 17 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.524 0.186 18441 6012 1 17 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.912 1.364 18441 6013 1 17 . 1 1 4 4 LYS H H 4 8.226 8.226 8.313 -0.087 18441 6014 1 17 . 1 1 5 5 VAL N N 5 120.494 120.494 117.301 3.193 18441 6015 1 17 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.850 -0.129 18441 6016 1 17 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.221 0.429 18441 6017 1 17 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.579 0.495 18441 6018 1 17 . 1 1 5 5 VAL H H 5 8.109 8.109 8.138 -0.029 18441 6019 1 17 . 1 1 6 6 ALA N N 6 123.149 123.149 123.241 -0.092 18441 6020 1 17 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.276 -0.241 18441 6021 1 17 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.245 0.645 18441 6022 1 17 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.401 0.859 18441 6023 1 17 . 1 1 6 6 ALA H H 6 8.374 8.374 7.593 0.781 18441 6024 1 17 . 1 1 7 7 ARG N N 7 119.587 119.587 118.664 0.923 18441 6025 1 17 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.933 0.068 18441 6026 1 17 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.170 0.600 18441 6027 1 17 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.108 0.662 18441 6028 1 17 . 1 1 7 7 ARG H H 7 7.992 7.992 7.933 0.059 18441 6029 1 17 . 1 1 8 8 GLU N N 8 119.745 119.745 120.094 -0.349 18441 6030 1 17 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.132 -0.074 18441 6031 1 17 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.725 0.045 18441 6032 1 17 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.922 0.028 18441 6033 1 17 . 1 1 8 8 GLU H H 8 8.165 8.165 8.210 -0.045 18441 6034 1 17 . 1 1 9 9 PHE N N 9 121.436 121.436 119.761 1.675 18441 6035 1 17 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.369 -0.242 18441 6036 1 17 . 1 1 9 9 PHE CA C 9 63.020 63.020 60.048 2.972 18441 6037 1 17 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.663 0.960 18441 6038 1 17 . 1 1 9 9 PHE H H 9 8.180 8.180 8.503 -0.323 18441 6039 1 17 . 1 1 10 10 ARG N N 10 119.028 119.028 119.963 -0.935 18441 6040 1 17 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.504 0.357 18441 6041 1 17 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.938 0.642 18441 6042 1 17 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.236 1.084 18441 6043 1 17 . 1 1 10 10 ARG H H 10 7.910 7.910 7.938 -0.028 18441 6044 1 17 . 1 1 11 11 HIS N N 11 116.563 116.563 118.647 -2.084 18441 6045 1 17 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.262 0.194 18441 6046 1 17 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.256 -0.076 18441 6047 1 17 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.968 0.062 18441 6048 1 17 . 1 1 11 11 HIS H H 11 8.001 8.001 8.111 -0.110 18441 6049 1 17 . 1 1 12 12 LYS N N 12 120.773 120.773 118.788 1.985 18441 6050 1 17 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.899 0.109 18441 6051 1 17 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.529 0.451 18441 6052 1 17 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.370 0.323 18441 6053 1 17 . 1 1 12 12 LYS H H 12 7.796 7.796 7.702 0.094 18441 6054 1 17 . 1 1 13 13 VAL N N 13 120.125 120.125 120.150 -0.025 18441 6055 1 17 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.639 -0.528 18441 6056 1 17 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.561 1.619 18441 6057 1 17 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.371 0.769 18441 6058 1 17 . 1 1 13 13 VAL H H 13 7.821 7.821 7.796 0.025 18441 6059 1 17 . 1 1 14 14 ASP N N 14 117.462 117.462 119.132 -1.670 18441 6060 1 17 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.326 -0.064 18441 6061 1 17 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.091 0.309 18441 6062 1 17 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.832 0.482 18441 6063 1 17 . 1 1 14 14 ASP H H 14 8.276 8.276 7.777 0.499 18441 6064 1 17 . 1 1 15 15 PHE N N 15 117.914 117.914 118.897 -0.983 18441 6065 1 17 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.234 0.128 18441 6066 1 17 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.327 -0.137 18441 6067 1 17 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.378 1.320 18441 6068 1 17 . 1 1 15 15 PHE H H 15 7.664 7.664 7.648 0.016 18441 6069 1 17 . 1 1 16 16 LEU N N 16 116.737 116.737 116.997 -0.260 18441 6070 1 17 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.195 0.039 18441 6071 1 17 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.568 1.852 18441 6072 1 17 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.445 2.633 18441 6073 1 17 . 1 1 16 16 LEU H H 16 7.658 7.658 7.799 -0.141 18441 6074 1 17 . 1 1 17 17 ILE N N 17 120.533 120.533 117.306 3.227 18441 6075 1 17 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.294 -0.186 18441 6076 1 17 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.076 1.464 18441 6077 1 17 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.614 0.743 18441 6078 1 17 . 1 1 17 17 ILE H H 17 8.336 8.336 7.136 1.200 18441 6079 1 17 . 1 1 18 18 GLU N N 18 124.531 124.531 122.428 2.103 18441 6080 1 17 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.010 0.200 18441 6081 1 17 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.795 -0.195 18441 6082 1 17 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.696 1.314 18441 6083 1 17 . 1 1 18 18 GLU H H 18 8.276 8.276 8.525 -0.249 18441 6084 1 17 . 1 1 19 19 ASN N N 19 117.630 117.630 117.290 0.340 18441 6085 1 17 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.661 0.144 18441 6086 1 17 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.390 0.348 18441 6087 1 17 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.867 1.311 18441 6088 1 17 . 1 1 19 19 ASN H H 19 7.700 7.700 7.857 -0.157 18441 6089 1 17 . 1 1 20 20 ASP N N 20 127.428 127.428 120.904 6.524 18441 6090 1 17 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.610 -0.361 18441 6091 1 17 . 1 1 20 20 ASP CA C 20 58.850 58.850 57.108 1.742 18441 6092 1 17 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.468 -0.154 18441 6093 1 17 . 1 1 20 20 ASP H H 20 8.998 8.998 8.758 0.240 18441 6094 1 17 . 1 1 21 21 ALA N N 21 122.271 122.271 123.637 -1.366 18441 6095 1 17 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.107 0.153 18441 6096 1 17 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.529 0.471 18441 6097 1 17 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.184 0.466 18441 6098 1 17 . 1 1 21 21 ALA H H 21 8.346 8.346 7.789 0.557 18441 6099 1 17 . 1 1 22 22 GLU N N 22 118.716 118.716 117.971 0.745 18441 6100 1 17 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.946 0.168 18441 6101 1 17 . 1 1 22 22 GLU CA C 22 60.360 60.360 60.147 0.213 18441 6102 1 17 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.057 2.715 18441 6103 1 17 . 1 1 22 22 GLU H H 22 7.724 7.724 8.868 -1.144 18441 6104 1 17 . 1 1 23 23 LYS N N 23 121.088 121.088 117.499 3.589 18441 6105 1 17 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.767 0.044 18441 6106 1 17 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.096 2.574 18441 6107 1 17 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.815 1.255 18441 6108 1 17 . 1 1 23 23 LYS H H 23 7.618 7.618 7.982 -0.364 18441 6109 1 17 . 1 1 24 24 ASP N N 24 119.010 119.010 121.109 -2.099 18441 6110 1 17 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.621 -0.132 18441 6111 1 17 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.252 1.258 18441 6112 1 17 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.467 0.370 18441 6113 1 17 . 1 1 24 24 ASP H H 24 8.424 8.424 7.642 0.782 18441 6114 1 17 . 1 1 25 25 TYR N N 25 120.417 120.417 120.783 -0.366 18441 6115 1 17 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.240 0.003 18441 6116 1 17 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.690 0.500 18441 6117 1 17 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.583 -0.084 18441 6118 1 17 . 1 1 25 25 TYR H H 25 7.676 7.676 8.395 -0.719 18441 6119 1 17 . 1 1 26 26 LEU N N 26 120.960 120.960 120.025 0.935 18441 6120 1 17 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.825 -0.224 18441 6121 1 17 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.308 1.132 18441 6122 1 17 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.835 0.316 18441 6123 1 17 . 1 1 26 26 LEU H H 26 7.965 7.965 7.760 0.205 18441 6124 1 17 . 1 1 27 27 TYR N N 27 116.521 116.521 118.134 -1.613 18441 6125 1 17 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.073 -0.297 18441 6126 1 17 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.761 4.649 18441 6127 1 17 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.232 1.171 18441 6128 1 17 . 1 1 27 27 TYR H H 27 8.097 8.097 8.064 0.033 18441 6129 1 17 . 1 1 28 28 ASP N N 28 123.384 123.384 119.753 3.631 18441 6130 1 17 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.433 0.043 18441 6131 1 17 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.469 1.071 18441 6132 1 17 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.681 0.713 18441 6133 1 17 . 1 1 28 28 ASP H H 28 8.355 8.355 7.886 0.469 18441 6134 1 17 . 1 1 29 29 VAL N N 29 121.272 121.272 119.852 1.420 18441 6135 1 17 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.646 0.067 18441 6136 1 17 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.516 0.134 18441 6137 1 17 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.665 0.253 18441 6138 1 17 . 1 1 29 29 VAL H H 29 8.252 8.252 7.720 0.532 18441 6139 1 17 . 1 1 30 30 LEU N N 30 122.443 122.443 120.084 2.359 18441 6140 1 17 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.101 -0.058 18441 6141 1 17 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.376 0.504 18441 6142 1 17 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.670 0.611 18441 6143 1 17 . 1 1 30 30 LEU H H 30 7.987 7.987 8.320 -0.333 18441 6144 1 17 . 1 1 31 31 ARG N N 31 122.386 122.386 118.744 3.642 18441 6145 1 17 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.008 0.008 18441 6146 1 17 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.582 0.798 18441 6147 1 17 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.303 0.097 18441 6148 1 17 . 1 1 31 31 ARG H H 31 8.637 8.637 8.280 0.357 18441 6149 1 17 . 1 1 32 32 MET N N 32 120.006 120.006 118.815 1.191 18441 6150 1 17 . 1 1 32 32 MET HA H 32 4.359 4.359 4.212 0.147 18441 6151 1 17 . 1 1 32 32 MET CA C 32 58.490 58.490 59.194 -0.704 18441 6152 1 17 . 1 1 32 32 MET CB C 32 31.677 31.677 32.281 -0.604 18441 6153 1 17 . 1 1 32 32 MET H H 32 8.327 8.327 7.953 0.374 18441 6154 1 17 . 1 1 33 33 TYR N N 33 123.220 123.220 120.492 2.728 18441 6155 1 17 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.207 0.517 18441 6156 1 17 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.599 0.401 18441 6157 1 17 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.949 1.738 18441 6158 1 17 . 1 1 33 33 TYR H H 33 8.054 8.054 8.298 -0.244 18441 6159 1 17 . 1 1 34 34 HIS N N 34 120.860 120.860 118.176 2.684 18441 6160 1 17 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.193 -0.417 18441 6161 1 17 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.672 1.038 18441 6162 1 17 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.210 1.182 18441 6163 1 17 . 1 1 34 34 HIS H H 34 8.548 8.548 8.016 0.532 18441 6164 1 17 . 1 1 35 35 GLN N N 35 113.582 113.582 118.525 -4.943 18441 6165 1 17 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.245 -0.245 18441 6166 1 17 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.517 0.163 18441 6167 1 17 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.577 0.973 18441 6168 1 17 . 1 1 35 35 GLN H H 35 7.542 7.542 8.179 -0.637 18441 6169 1 17 . 1 1 36 36 THR N N 36 111.117 111.117 111.202 -0.085 18441 6170 1 17 . 1 1 36 36 THR HA H 36 4.214 4.214 4.245 -0.031 18441 6171 1 17 . 1 1 36 36 THR CA C 36 63.980 63.980 63.294 0.686 18441 6172 1 17 . 1 1 36 36 THR CB C 36 71.670 71.670 69.819 1.851 18441 6173 1 17 . 1 1 36 36 THR H H 36 8.569 8.569 8.523 0.046 18441 6174 1 17 . 1 1 37 37 MET N N 37 120.444 120.444 119.449 0.995 18441 6175 1 17 . 1 1 37 37 MET HA H 37 3.740 3.740 4.161 -0.421 18441 6176 1 17 . 1 1 37 37 MET CA C 37 56.430 56.430 55.542 0.888 18441 6177 1 17 . 1 1 37 37 MET CB C 37 31.399 31.399 30.541 0.858 18441 6178 1 17 . 1 1 37 37 MET H H 37 9.542 9.542 7.452 2.090 18441 6179 1 17 . 1 1 38 38 ASP N N 38 117.020 117.020 120.397 -3.377 18441 6180 1 17 . 1 1 38 38 ASP HA H 38 4.944 4.944 5.018 -0.074 18441 6181 1 17 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.355 0.122 18441 6182 1 17 . 1 1 38 38 ASP CB C 38 42.040 42.040 43.410 -1.370 18441 6183 1 17 . 1 1 38 38 ASP H H 38 7.456 7.456 7.849 -0.393 18441 6184 1 17 . 1 1 39 39 VAL N N 39 128.507 128.507 125.190 3.317 18441 6185 1 17 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.804 0.027 18441 6186 1 17 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.338 0.502 18441 6187 1 17 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.675 1.025 18441 6188 1 17 . 1 1 39 39 VAL H H 39 8.425 8.425 8.851 -0.426 18441 6189 1 17 . 1 1 40 40 ALA N N 40 125.621 125.621 123.183 2.438 18441 6190 1 17 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.142 -0.155 18441 6191 1 17 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.382 0.478 18441 6192 1 17 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.329 0.141 18441 6193 1 17 . 1 1 40 40 ALA H H 40 7.998 7.998 7.774 0.224 18441 6194 1 17 . 1 1 41 41 VAL N N 41 122.132 122.132 118.826 3.306 18441 6195 1 17 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.649 -0.078 18441 6196 1 17 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.698 0.982 18441 6197 1 17 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.738 0.964 18441 6198 1 17 . 1 1 41 41 VAL H H 41 7.663 7.663 7.499 0.164 18441 6199 1 17 . 1 1 42 42 LEU N N 42 120.190 120.190 120.545 -0.355 18441 6200 1 17 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.956 0.304 18441 6201 1 17 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.149 0.841 18441 6202 1 17 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.945 -1.240 18441 6203 1 17 . 1 1 42 42 LEU H H 42 7.361 7.361 7.385 -0.024 18441 6204 1 17 . 1 1 43 43 VAL N N 43 116.802 116.802 118.255 -1.453 18441 6205 1 17 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.640 -0.223 18441 6206 1 17 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.581 2.199 18441 6207 1 17 . 1 1 43 43 VAL CB C 43 31.980 31.980 31.250 0.730 18441 6208 1 17 . 1 1 43 43 VAL H H 43 8.062 8.062 7.726 0.336 18441 6209 1 17 . 1 1 44 44 GLY N N 44 106.242 106.242 107.493 -1.251 18441 6210 1 17 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.245 1.071 18441 6211 1 17 . 1 1 44 44 GLY H H 44 7.901 7.901 7.943 -0.042 18441 6212 1 17 . 1 1 45 45 ASP N N 45 123.359 123.359 123.237 0.122 18441 6213 1 17 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.493 0.172 18441 6214 1 17 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.170 0.590 18441 6215 1 17 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.465 0.404 18441 6216 1 17 . 1 1 45 45 ASP H H 45 8.680 8.680 7.775 0.905 18441 6217 1 17 . 1 1 46 46 LEU N N 46 123.201 123.201 120.744 2.457 18441 6218 1 17 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.679 0.387 18441 6219 1 17 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.596 0.524 18441 6220 1 17 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.542 1.457 18441 6221 1 17 . 1 1 46 46 LEU H H 46 9.018 9.018 8.450 0.568 18441 6222 1 17 . 1 1 47 47 LYS N N 47 119.196 119.196 118.532 0.664 18441 6223 1 17 . 1 1 47 47 LYS HA H 47 3.970 3.970 3.938 0.032 18441 6224 1 17 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.679 0.611 18441 6225 1 17 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.230 0.911 18441 6226 1 17 . 1 1 47 47 LYS H H 47 8.017 8.017 7.518 0.499 18441 6227 1 17 . 1 1 48 48 LEU N N 48 116.358 116.358 119.807 -3.449 18441 6228 1 17 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.065 0.096 18441 6229 1 17 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.693 -0.023 18441 6230 1 17 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.257 -0.097 18441 6231 1 17 . 1 1 48 48 LEU H H 48 7.143 7.143 7.496 -0.353 18441 6232 1 17 . 1 1 49 49 VAL N N 49 112.662 112.662 114.336 -1.674 18441 6233 1 17 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.058 0.415 18441 6234 1 17 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.283 -0.223 18441 6235 1 17 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.656 2.510 18441 6236 1 17 . 1 1 49 49 VAL H H 49 7.266 7.266 7.533 -0.267 18441 6237 1 17 . 1 1 50 50 ILE N N 50 124.631 124.631 116.785 7.846 18441 6238 1 17 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.336 -0.491 18441 6239 1 17 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.355 1.236 18441 6240 1 17 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.500 -3.339 18441 6241 1 17 . 1 1 50 50 ILE H H 50 8.475 8.475 7.527 0.948 18441 6242 1 17 . 1 1 51 51 ASN N N 51 119.027 119.027 118.845 0.182 18441 6243 1 17 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.716 -0.009 18441 6244 1 17 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.319 0.130 18441 6245 1 17 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.312 0.649 18441 6246 1 17 . 1 1 51 51 ASN H H 51 7.347 7.347 8.190 -0.843 18441 6247 1 17 . 1 1 52 52 GLU N N 52 115.889 115.889 118.368 -2.479 18441 6248 1 17 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.768 0.120 18441 6249 1 17 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.837 1.948 18441 6250 1 17 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.584 -0.564 18441 6251 1 17 . 1 1 52 52 GLU H H 52 7.438 7.438 7.588 -0.150 18441 6252 1 17 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.231 -0.021 18441 6253 1 17 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.248 1.712 18441 6254 1 17 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.900 1.048 18441 6255 1 17 . 1 1 54 54 SER N N 54 113.711 113.711 112.139 1.572 18441 6256 1 17 . 1 1 54 54 SER HA H 54 4.173 4.173 4.305 -0.132 18441 6257 1 17 . 1 1 54 54 SER CA C 54 61.650 61.650 60.069 1.581 18441 6258 1 17 . 1 1 54 54 SER CB C 54 62.930 62.930 63.208 -0.278 18441 6259 1 17 . 1 1 54 54 SER H H 54 8.946 8.946 8.067 0.879 18441 6260 1 17 . 1 1 55 55 ARG N N 55 116.455 116.455 120.059 -3.604 18441 6261 1 17 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.366 0.038 18441 6262 1 17 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.688 0.622 18441 6263 1 17 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.363 3.249 18441 6264 1 17 . 1 1 55 55 ARG H H 55 7.759 7.759 7.294 0.465 18441 6265 1 17 . 1 1 56 56 LEU N N 56 121.468 121.468 123.404 -1.936 18441 6266 1 17 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.321 -0.186 18441 6267 1 17 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.057 -0.157 18441 6268 1 17 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.516 1.481 18441 6269 1 17 . 1 1 56 56 LEU H H 56 7.472 7.472 8.478 -1.006 18441 6270 1 17 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.205 0.491 18441 6271 1 17 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.138 0.042 18441 6272 1 17 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.143 1.246 18441 6273 1 17 . 1 1 58 58 LEU N N 58 119.923 119.923 118.251 1.672 18441 6274 1 17 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.058 -0.008 18441 6275 1 17 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.823 0.497 18441 6276 1 17 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.633 0.395 18441 6277 1 17 . 1 1 58 58 LEU H H 58 8.734 8.734 7.722 1.012 18441 6278 1 17 . 1 1 59 59 PHE N N 59 116.632 116.632 119.958 -3.326 18441 6279 1 17 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.263 0.216 18441 6280 1 17 . 1 1 59 59 PHE CA C 59 63.080 63.080 60.331 2.749 18441 6281 1 17 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.654 0.198 18441 6282 1 17 . 1 1 59 59 PHE H H 59 8.312 8.312 8.460 -0.148 18441 6283 1 17 . 1 1 60 60 ASP N N 60 120.603 120.603 119.139 1.464 18441 6284 1 17 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.431 0.240 18441 6285 1 17 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.240 1.630 18441 6286 1 17 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.954 0.587 18441 6287 1 17 . 1 1 60 60 ASP H H 60 7.462 7.462 7.875 -0.413 18441 6288 1 17 . 1 1 61 61 ALA N N 61 122.470 122.470 122.601 -0.131 18441 6289 1 17 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.969 0.292 18441 6290 1 17 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.585 -0.039 18441 6291 1 17 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.894 -0.014 18441 6292 1 17 . 1 1 61 61 ALA H H 61 7.664 7.664 7.673 -0.009 18441 6293 1 17 . 1 1 62 62 ILE N N 62 115.525 115.525 117.820 -2.295 18441 6294 1 17 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.963 0.719 18441 6295 1 17 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.226 0.194 18441 6296 1 17 . 1 1 62 62 ILE CB C 62 40.155 40.155 38.108 2.047 18441 6297 1 17 . 1 1 62 62 ILE H H 62 7.653 7.653 7.642 0.011 18441 6298 1 17 . 1 1 63 63 ARG N N 63 121.016 121.016 120.663 0.353 18441 6299 1 17 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.433 0.041 18441 6300 1 17 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.279 1.091 18441 6301 1 17 . 1 1 63 63 ARG H H 63 6.917 6.917 7.424 -0.507 18441 6302 1 17 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.132 0.179 18441 6303 1 17 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.446 0.294 18441 6304 1 17 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.113 1.074 18441 6305 1 17 . 1 1 65 65 LEU N N 65 114.713 114.713 115.074 -0.361 18441 6306 1 17 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.072 -0.152 18441 6307 1 17 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.110 -0.450 18441 6308 1 17 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.825 0.283 18441 6309 1 17 . 1 1 65 65 LEU H H 65 8.074 8.074 7.627 0.447 18441 6310 1 17 . 1 1 66 66 ILE N N 66 120.129 120.129 118.813 1.316 18441 6311 1 17 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.057 0.248 18441 6312 1 17 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.722 -4.962 18441 6313 1 17 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.411 -0.767 18441 6314 1 17 . 1 1 66 66 ILE H H 66 7.398 7.398 7.360 0.038 18441 6315 1 17 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.353 -0.048 18441 6316 1 17 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.614 1.026 18441 6317 1 17 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.403 0.887 18441 6318 1 17 . 1 1 68 68 LEU N N 68 124.673 124.673 123.278 1.395 18441 6319 1 17 . 1 1 68 68 LEU HA H 68 3.850 3.850 4.001 -0.151 18441 6320 1 17 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.265 0.355 18441 6321 1 17 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.920 0.547 18441 6322 1 17 . 1 1 68 68 LEU H H 68 8.471 8.471 8.378 0.093 18441 6323 1 17 . 1 1 69 69 LYS N N 69 115.247 115.247 118.752 -3.505 18441 6324 1 17 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.020 0.149 18441 6325 1 17 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.057 -0.037 18441 6326 1 17 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.534 0.972 18441 6327 1 17 . 1 1 69 69 LYS H H 69 8.536 8.536 8.491 0.045 18441 6328 1 17 . 1 1 70 70 HIS N N 70 118.849 118.849 116.954 1.895 18441 6329 1 17 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.460 0.765 18441 6330 1 17 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.544 -3.655 18441 6331 1 17 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.547 5.491 18441 6332 1 17 . 1 1 70 70 HIS H H 70 8.060 8.060 8.448 -0.388 18441 6333 1 17 . 1 1 71 71 GLN N N 71 122.130 122.130 119.437 2.693 18441 6334 1 17 . 1 1 71 71 GLN HA H 71 3.699 3.699 3.988 -0.289 18441 6335 1 17 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.645 2.045 18441 6336 1 17 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.806 0.444 18441 6337 1 17 . 1 1 71 71 GLN H H 71 7.732 7.732 8.489 -0.757 18441 6338 1 17 . 1 1 72 72 VAL N N 72 119.182 119.182 119.766 -0.584 18441 6339 1 17 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.662 0.146 18441 6340 1 17 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.616 0.604 18441 6341 1 17 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.654 0.160 18441 6342 1 17 . 1 1 72 72 VAL H H 72 8.203 8.203 7.837 0.366 18441 6343 1 17 . 1 1 73 73 GLU N N 73 121.878 121.878 119.609 2.269 18441 6344 1 17 . 1 1 73 73 GLU HA H 73 3.978 3.978 3.981 -0.003 18441 6345 1 17 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.263 0.837 18441 6346 1 17 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.707 0.953 18441 6347 1 17 . 1 1 73 73 GLU H H 73 8.136 8.136 7.808 0.328 18441 6348 1 17 . 1 1 74 74 TYR N N 74 119.780 119.780 121.324 -1.544 18441 6349 1 17 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.061 -0.384 18441 6350 1 17 . 1 1 74 74 TYR CA C 74 63.310 63.310 62.196 1.114 18441 6351 1 17 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.419 1.601 18441 6352 1 17 . 1 1 74 74 TYR H H 74 8.491 8.491 8.489 0.002 18441 6353 1 17 . 1 1 75 75 ASP N N 75 120.231 120.231 118.734 1.497 18441 6354 1 17 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.470 -0.327 18441 6355 1 17 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.161 0.399 18441 6356 1 17 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.282 0.296 18441 6357 1 17 . 1 1 75 75 ASP H H 75 8.566 8.566 8.013 0.553 18441 6358 1 17 . 1 1 76 76 GLN N N 76 118.324 118.324 118.165 0.159 18441 6359 1 17 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.022 0.034 18441 6360 1 17 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.083 0.347 18441 6361 1 17 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.754 0.676 18441 6362 1 17 . 1 1 76 76 GLN H H 76 7.844 7.844 7.667 0.177 18441 6363 1 17 . 1 1 77 77 LEU N N 77 117.932 117.932 117.010 0.922 18441 6364 1 17 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.258 -0.061 18441 6365 1 17 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.798 0.112 18441 6366 1 17 . 1 1 77 77 LEU CB C 77 45.404 45.404 43.302 2.102 18441 6367 1 17 . 1 1 77 77 LEU H H 77 7.665 7.665 7.410 0.255 18441 6368 1 17 . 1 1 78 78 THR N N 78 110.323 110.323 113.139 -2.816 18441 6369 1 17 . 1 1 78 78 THR HA H 78 3.709 3.709 4.458 -0.749 18441 6370 1 17 . 1 1 78 78 THR CA C 78 59.750 59.750 58.632 1.118 18441 6371 1 17 . 1 1 78 78 THR CB C 78 69.110 69.110 70.320 -1.210 18441 6372 1 17 . 1 1 78 78 THR H H 78 7.130 7.130 7.876 -0.746 18441 6373 1 17 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.513 -0.267 18441 6374 1 17 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.580 1.100 18441 6375 1 17 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.600 -0.209 18441 6376 1 18 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.849 -0.319 18441 6377 1 18 . 1 1 2 2 ASP CA C 2 55.590 55.590 53.660 1.930 18441 6378 1 18 . 1 1 2 2 ASP CB C 2 41.693 41.693 42.888 -1.195 18441 6379 1 18 . 1 1 3 3 ARG N N 3 121.498 121.498 119.460 2.038 18441 6380 1 18 . 1 1 3 3 ARG HA H 3 4.241 4.241 3.909 0.332 18441 6381 1 18 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.998 -0.328 18441 6382 1 18 . 1 1 3 3 ARG CB C 3 30.510 30.510 29.412 1.099 18441 6383 1 18 . 1 1 3 3 ARG H H 3 8.382 8.382 8.679 -0.297 18441 6384 1 18 . 1 1 4 4 LYS N N 4 122.257 122.257 120.656 1.601 18441 6385 1 18 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.100 -0.042 18441 6386 1 18 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.194 0.516 18441 6387 1 18 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.317 0.959 18441 6388 1 18 . 1 1 4 4 LYS H H 4 8.226 8.226 7.817 0.409 18441 6389 1 18 . 1 1 5 5 VAL N N 5 120.494 120.494 119.189 1.305 18441 6390 1 18 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.881 -0.160 18441 6391 1 18 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.668 0.982 18441 6392 1 18 . 1 1 5 5 VAL CB C 5 32.074 32.074 30.854 1.220 18441 6393 1 18 . 1 1 5 5 VAL H H 5 8.109 8.109 8.082 0.027 18441 6394 1 18 . 1 1 6 6 ALA N N 6 123.149 123.149 123.075 0.074 18441 6395 1 18 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.345 -0.310 18441 6396 1 18 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.361 0.529 18441 6397 1 18 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.369 0.891 18441 6398 1 18 . 1 1 6 6 ALA H H 6 8.374 8.374 8.302 0.072 18441 6399 1 18 . 1 1 7 7 ARG N N 7 119.587 119.587 119.055 0.532 18441 6400 1 18 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.943 0.058 18441 6401 1 18 . 1 1 7 7 ARG CA C 7 59.770 59.770 58.754 1.016 18441 6402 1 18 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.055 0.715 18441 6403 1 18 . 1 1 7 7 ARG H H 7 7.992 7.992 8.628 -0.636 18441 6404 1 18 . 1 1 8 8 GLU N N 8 119.745 119.745 120.349 -0.604 18441 6405 1 18 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.143 -0.085 18441 6406 1 18 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.471 0.299 18441 6407 1 18 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.796 0.154 18441 6408 1 18 . 1 1 8 8 GLU H H 8 8.165 8.165 8.401 -0.236 18441 6409 1 18 . 1 1 9 9 PHE N N 9 121.436 121.436 119.585 1.851 18441 6410 1 18 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.373 -0.246 18441 6411 1 18 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.958 3.062 18441 6412 1 18 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.528 1.095 18441 6413 1 18 . 1 1 9 9 PHE H H 9 8.180 8.180 8.246 -0.066 18441 6414 1 18 . 1 1 10 10 ARG N N 10 119.028 119.028 119.819 -0.791 18441 6415 1 18 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.524 0.337 18441 6416 1 18 . 1 1 10 10 ARG CA C 10 59.580 59.580 59.224 0.356 18441 6417 1 18 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.438 0.882 18441 6418 1 18 . 1 1 10 10 ARG H H 10 7.910 7.910 7.949 -0.039 18441 6419 1 18 . 1 1 11 11 HIS N N 11 116.563 116.563 118.644 -2.081 18441 6420 1 18 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.251 0.205 18441 6421 1 18 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.116 0.064 18441 6422 1 18 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.924 0.106 18441 6423 1 18 . 1 1 11 11 HIS H H 11 8.001 8.001 8.116 -0.115 18441 6424 1 18 . 1 1 12 12 LYS N N 12 120.773 120.773 119.044 1.729 18441 6425 1 18 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.954 0.054 18441 6426 1 18 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.551 0.429 18441 6427 1 18 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.382 0.311 18441 6428 1 18 . 1 1 12 12 LYS H H 12 7.796 7.796 7.715 0.081 18441 6429 1 18 . 1 1 13 13 VAL N N 13 120.125 120.125 120.623 -0.498 18441 6430 1 18 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.576 -0.465 18441 6431 1 18 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.927 1.253 18441 6432 1 18 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.610 0.530 18441 6433 1 18 . 1 1 13 13 VAL H H 13 7.821 7.821 7.823 -0.002 18441 6434 1 18 . 1 1 14 14 ASP N N 14 117.462 117.462 118.965 -1.503 18441 6435 1 18 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.371 -0.109 18441 6436 1 18 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.052 0.348 18441 6437 1 18 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.815 0.499 18441 6438 1 18 . 1 1 14 14 ASP H H 14 8.276 8.276 7.820 0.456 18441 6439 1 18 . 1 1 15 15 PHE N N 15 117.914 117.914 119.480 -1.566 18441 6440 1 18 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.327 0.035 18441 6441 1 18 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.438 -0.248 18441 6442 1 18 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.478 1.220 18441 6443 1 18 . 1 1 15 15 PHE H H 15 7.664 7.664 7.712 -0.048 18441 6444 1 18 . 1 1 16 16 LEU N N 16 116.737 116.737 116.766 -0.029 18441 6445 1 18 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.110 0.124 18441 6446 1 18 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.914 1.506 18441 6447 1 18 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.204 2.874 18441 6448 1 18 . 1 1 16 16 LEU H H 16 7.658 7.658 7.920 -0.262 18441 6449 1 18 . 1 1 17 17 ILE N N 17 120.533 120.533 116.477 4.056 18441 6450 1 18 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.298 -0.190 18441 6451 1 18 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.149 1.391 18441 6452 1 18 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.369 0.988 18441 6453 1 18 . 1 1 17 17 ILE H H 17 8.336 8.336 7.418 0.918 18441 6454 1 18 . 1 1 18 18 GLU N N 18 124.531 124.531 122.688 1.843 18441 6455 1 18 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.069 0.141 18441 6456 1 18 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.451 0.149 18441 6457 1 18 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.562 1.448 18441 6458 1 18 . 1 1 18 18 GLU H H 18 8.276 8.276 8.755 -0.479 18441 6459 1 18 . 1 1 19 19 ASN N N 19 117.630 117.630 118.979 -1.349 18441 6460 1 18 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.621 0.184 18441 6461 1 18 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.654 0.084 18441 6462 1 18 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.065 2.114 18441 6463 1 18 . 1 1 19 19 ASN H H 19 7.700 7.700 8.184 -0.484 18441 6464 1 18 . 1 1 20 20 ASP N N 20 127.428 127.428 118.704 8.724 18441 6465 1 18 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.681 -0.432 18441 6466 1 18 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.597 2.253 18441 6467 1 18 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.350 -0.036 18441 6468 1 18 . 1 1 20 20 ASP H H 20 8.998 8.998 8.656 0.342 18441 6469 1 18 . 1 1 21 21 ALA N N 21 122.271 122.271 123.529 -1.258 18441 6470 1 18 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.140 0.120 18441 6471 1 18 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.258 0.742 18441 6472 1 18 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.236 0.414 18441 6473 1 18 . 1 1 21 21 ALA H H 21 8.346 8.346 8.156 0.190 18441 6474 1 18 . 1 1 22 22 GLU N N 22 118.716 118.716 118.118 0.598 18441 6475 1 18 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.002 0.112 18441 6476 1 18 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.709 0.651 18441 6477 1 18 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.938 2.834 18441 6478 1 18 . 1 1 22 22 GLU H H 22 7.724 7.724 8.872 -1.148 18441 6479 1 18 . 1 1 23 23 LYS N N 23 121.088 121.088 117.617 3.471 18441 6480 1 18 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.745 0.066 18441 6481 1 18 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.841 2.829 18441 6482 1 18 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.777 1.293 18441 6483 1 18 . 1 1 23 23 LYS H H 23 7.618 7.618 8.182 -0.564 18441 6484 1 18 . 1 1 24 24 ASP N N 24 119.010 119.010 120.688 -1.678 18441 6485 1 18 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.528 -0.039 18441 6486 1 18 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.207 1.303 18441 6487 1 18 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.815 0.022 18441 6488 1 18 . 1 1 24 24 ASP H H 24 8.424 8.424 7.904 0.520 18441 6489 1 18 . 1 1 25 25 TYR N N 25 120.417 120.417 120.547 -0.130 18441 6490 1 18 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.146 0.097 18441 6491 1 18 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.288 0.902 18441 6492 1 18 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.472 0.027 18441 6493 1 18 . 1 1 25 25 TYR H H 25 7.676 7.676 8.156 -0.480 18441 6494 1 18 . 1 1 26 26 LEU N N 26 120.960 120.960 119.629 1.331 18441 6495 1 18 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.784 -0.183 18441 6496 1 18 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.441 0.999 18441 6497 1 18 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.664 0.487 18441 6498 1 18 . 1 1 26 26 LEU H H 26 7.965 7.965 7.692 0.273 18441 6499 1 18 . 1 1 27 27 TYR N N 27 116.521 116.521 117.785 -1.264 18441 6500 1 18 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.085 -0.309 18441 6501 1 18 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.468 4.942 18441 6502 1 18 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.034 1.369 18441 6503 1 18 . 1 1 27 27 TYR H H 27 8.097 8.097 7.901 0.196 18441 6504 1 18 . 1 1 28 28 ASP N N 28 123.384 123.384 120.031 3.353 18441 6505 1 18 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.404 0.072 18441 6506 1 18 . 1 1 28 28 ASP CA C 28 58.540 58.540 58.138 0.402 18441 6507 1 18 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.415 0.979 18441 6508 1 18 . 1 1 28 28 ASP H H 28 8.355 8.355 7.910 0.445 18441 6509 1 18 . 1 1 29 29 VAL N N 29 121.272 121.272 120.504 0.768 18441 6510 1 18 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.544 0.169 18441 6511 1 18 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.167 -0.517 18441 6512 1 18 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.810 0.108 18441 6513 1 18 . 1 1 29 29 VAL H H 29 8.252 8.252 7.532 0.720 18441 6514 1 18 . 1 1 30 30 LEU N N 30 122.443 122.443 119.308 3.135 18441 6515 1 18 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.037 0.006 18441 6516 1 18 . 1 1 30 30 LEU CA C 30 58.880 58.880 57.973 0.907 18441 6517 1 18 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.564 0.717 18441 6518 1 18 . 1 1 30 30 LEU H H 30 7.987 7.987 7.796 0.191 18441 6519 1 18 . 1 1 31 31 ARG N N 31 122.386 122.386 119.259 3.127 18441 6520 1 18 . 1 1 31 31 ARG HA H 31 4.016 4.016 3.972 0.044 18441 6521 1 18 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.676 0.704 18441 6522 1 18 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.196 0.204 18441 6523 1 18 . 1 1 31 31 ARG H H 31 8.637 8.637 8.217 0.420 18441 6524 1 18 . 1 1 32 32 MET N N 32 120.006 120.006 118.447 1.559 18441 6525 1 18 . 1 1 32 32 MET HA H 32 4.359 4.359 4.236 0.123 18441 6526 1 18 . 1 1 32 32 MET CA C 32 58.490 58.490 57.911 0.579 18441 6527 1 18 . 1 1 32 32 MET CB C 32 31.677 31.677 31.681 -0.004 18441 6528 1 18 . 1 1 32 32 MET H H 32 8.327 8.327 7.802 0.525 18441 6529 1 18 . 1 1 33 33 TYR N N 33 123.220 123.220 121.149 2.071 18441 6530 1 18 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.197 0.527 18441 6531 1 18 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.968 0.032 18441 6532 1 18 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.790 1.897 18441 6533 1 18 . 1 1 33 33 TYR H H 33 8.054 8.054 8.189 -0.135 18441 6534 1 18 . 1 1 34 34 HIS N N 34 120.860 120.860 118.167 2.693 18441 6535 1 18 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.162 -0.386 18441 6536 1 18 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.719 0.991 18441 6537 1 18 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.227 1.165 18441 6538 1 18 . 1 1 34 34 HIS H H 34 8.548 8.548 7.893 0.655 18441 6539 1 18 . 1 1 35 35 GLN N N 35 113.582 113.582 118.198 -4.616 18441 6540 1 18 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.196 -0.196 18441 6541 1 18 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.324 0.356 18441 6542 1 18 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.353 1.197 18441 6543 1 18 . 1 1 35 35 GLN H H 35 7.542 7.542 8.180 -0.638 18441 6544 1 18 . 1 1 36 36 THR N N 36 111.117 111.117 113.031 -1.914 18441 6545 1 18 . 1 1 36 36 THR HA H 36 4.214 4.214 4.123 0.091 18441 6546 1 18 . 1 1 36 36 THR CA C 36 63.980 63.980 64.057 -0.077 18441 6547 1 18 . 1 1 36 36 THR CB C 36 71.670 71.670 69.547 2.123 18441 6548 1 18 . 1 1 36 36 THR H H 36 8.569 8.569 8.305 0.264 18441 6549 1 18 . 1 1 37 37 MET N N 37 120.444 120.444 117.144 3.300 18441 6550 1 18 . 1 1 37 37 MET HA H 37 3.740 3.740 4.080 -0.340 18441 6551 1 18 . 1 1 37 37 MET CA C 37 56.430 56.430 56.029 0.401 18441 6552 1 18 . 1 1 37 37 MET CB C 37 31.399 31.399 30.515 0.884 18441 6553 1 18 . 1 1 37 37 MET H H 37 9.542 9.542 7.509 2.033 18441 6554 1 18 . 1 1 38 38 ASP N N 38 117.020 117.020 120.271 -3.251 18441 6555 1 18 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.959 -0.015 18441 6556 1 18 . 1 1 38 38 ASP CA C 38 53.476 53.476 52.691 0.784 18441 6557 1 18 . 1 1 38 38 ASP CB C 38 42.040 42.040 43.930 -1.890 18441 6558 1 18 . 1 1 38 38 ASP H H 38 7.456 7.456 7.898 -0.442 18441 6559 1 18 . 1 1 39 39 VAL N N 39 128.507 128.507 125.095 3.412 18441 6560 1 18 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.778 0.053 18441 6561 1 18 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.317 0.523 18441 6562 1 18 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.694 1.006 18441 6563 1 18 . 1 1 39 39 VAL H H 39 8.425 8.425 8.851 -0.426 18441 6564 1 18 . 1 1 40 40 ALA N N 40 125.621 125.621 122.816 2.805 18441 6565 1 18 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.035 -0.048 18441 6566 1 18 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.143 0.717 18441 6567 1 18 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.469 0.001 18441 6568 1 18 . 1 1 40 40 ALA H H 40 7.998 7.998 7.837 0.161 18441 6569 1 18 . 1 1 41 41 VAL N N 41 122.132 122.132 118.727 3.405 18441 6570 1 18 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.725 -0.154 18441 6571 1 18 . 1 1 41 41 VAL CA C 41 66.680 66.680 66.220 0.460 18441 6572 1 18 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.479 1.223 18441 6573 1 18 . 1 1 41 41 VAL H H 41 7.663 7.663 7.435 0.228 18441 6574 1 18 . 1 1 42 42 LEU N N 42 120.190 120.190 120.586 -0.396 18441 6575 1 18 . 1 1 42 42 LEU HA H 42 4.260 4.260 3.902 0.358 18441 6576 1 18 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.032 0.958 18441 6577 1 18 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.759 -1.054 18441 6578 1 18 . 1 1 42 42 LEU H H 42 7.361 7.361 7.330 0.031 18441 6579 1 18 . 1 1 43 43 VAL N N 43 116.802 116.802 118.026 -1.224 18441 6580 1 18 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.600 -0.183 18441 6581 1 18 . 1 1 43 43 VAL CA C 43 68.780 68.780 65.739 3.041 18441 6582 1 18 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.383 1.597 18441 6583 1 18 . 1 1 43 43 VAL H H 43 8.062 8.062 7.641 0.421 18441 6584 1 18 . 1 1 44 44 GLY N N 44 106.242 106.242 107.682 -1.440 18441 6585 1 18 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.238 1.078 18441 6586 1 18 . 1 1 44 44 GLY H H 44 7.901 7.901 7.854 0.047 18441 6587 1 18 . 1 1 45 45 ASP N N 45 123.359 123.359 123.343 0.016 18441 6588 1 18 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.445 0.220 18441 6589 1 18 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.781 -0.021 18441 6590 1 18 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.741 0.127 18441 6591 1 18 . 1 1 45 45 ASP H H 45 8.680 8.680 7.746 0.934 18441 6592 1 18 . 1 1 46 46 LEU N N 46 123.201 123.201 120.925 2.276 18441 6593 1 18 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.819 0.247 18441 6594 1 18 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.823 0.297 18441 6595 1 18 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.701 1.298 18441 6596 1 18 . 1 1 46 46 LEU H H 46 9.018 9.018 8.492 0.526 18441 6597 1 18 . 1 1 47 47 LYS N N 47 119.196 119.196 118.831 0.365 18441 6598 1 18 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.139 -0.169 18441 6599 1 18 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.792 0.498 18441 6600 1 18 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.278 0.863 18441 6601 1 18 . 1 1 47 47 LYS H H 47 8.017 8.017 7.811 0.206 18441 6602 1 18 . 1 1 48 48 LEU N N 48 116.358 116.358 120.419 -4.061 18441 6603 1 18 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.076 0.085 18441 6604 1 18 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.870 -0.200 18441 6605 1 18 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.519 -0.359 18441 6606 1 18 . 1 1 48 48 LEU H H 48 7.143 7.143 7.694 -0.551 18441 6607 1 18 . 1 1 49 49 VAL N N 49 112.662 112.662 115.363 -2.701 18441 6608 1 18 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.076 0.397 18441 6609 1 18 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.985 -0.925 18441 6610 1 18 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.579 2.587 18441 6611 1 18 . 1 1 49 49 VAL H H 49 7.266 7.266 7.672 -0.406 18441 6612 1 18 . 1 1 50 50 ILE N N 50 124.631 124.631 119.243 5.388 18441 6613 1 18 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.395 -0.550 18441 6614 1 18 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.949 0.641 18441 6615 1 18 . 1 1 50 50 ILE CB C 50 35.161 35.161 39.088 -3.927 18441 6616 1 18 . 1 1 50 50 ILE H H 50 8.475 8.475 7.708 0.767 18441 6617 1 18 . 1 1 51 51 ASN N N 51 119.027 119.027 119.318 -0.291 18441 6618 1 18 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.648 0.059 18441 6619 1 18 . 1 1 51 51 ASN CA C 51 53.448 53.448 54.024 -0.576 18441 6620 1 18 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.603 0.357 18441 6621 1 18 . 1 1 51 51 ASN H H 51 7.347 7.347 8.066 -0.719 18441 6622 1 18 . 1 1 52 52 GLU N N 52 115.889 115.889 118.381 -2.492 18441 6623 1 18 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.804 0.084 18441 6624 1 18 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.179 1.606 18441 6625 1 18 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.407 0.613 18441 6626 1 18 . 1 1 52 52 GLU H H 52 7.438 7.438 7.574 -0.136 18441 6627 1 18 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.176 0.034 18441 6628 1 18 . 1 1 53 53 PRO CA C 53 66.960 66.960 66.107 0.853 18441 6629 1 18 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.828 1.120 18441 6630 1 18 . 1 1 54 54 SER N N 54 113.711 113.711 111.328 2.383 18441 6631 1 18 . 1 1 54 54 SER HA H 54 4.173 4.173 4.298 -0.125 18441 6632 1 18 . 1 1 54 54 SER CA C 54 61.650 61.650 60.557 1.093 18441 6633 1 18 . 1 1 54 54 SER CB C 54 62.930 62.930 63.393 -0.463 18441 6634 1 18 . 1 1 54 54 SER H H 54 8.946 8.946 8.434 0.512 18441 6635 1 18 . 1 1 55 55 ARG N N 55 116.455 116.455 119.384 -2.929 18441 6636 1 18 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.358 0.046 18441 6637 1 18 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.199 0.111 18441 6638 1 18 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.501 3.111 18441 6639 1 18 . 1 1 55 55 ARG H H 55 7.759 7.759 7.823 -0.064 18441 6640 1 18 . 1 1 56 56 LEU N N 56 121.468 121.468 123.133 -1.665 18441 6641 1 18 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.270 -0.135 18441 6642 1 18 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.898 0.002 18441 6643 1 18 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.492 1.505 18441 6644 1 18 . 1 1 56 56 LEU H H 56 7.472 7.472 8.425 -0.953 18441 6645 1 18 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.189 0.507 18441 6646 1 18 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.188 -0.007 18441 6647 1 18 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.128 1.262 18441 6648 1 18 . 1 1 58 58 LEU N N 58 119.923 119.923 117.602 2.321 18441 6649 1 18 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.073 -0.023 18441 6650 1 18 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.666 0.654 18441 6651 1 18 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.383 0.645 18441 6652 1 18 . 1 1 58 58 LEU H H 58 8.734 8.734 7.688 1.046 18441 6653 1 18 . 1 1 59 59 PHE N N 59 116.632 116.632 120.624 -3.992 18441 6654 1 18 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.160 0.319 18441 6655 1 18 . 1 1 59 59 PHE CA C 59 63.080 63.080 62.169 0.911 18441 6656 1 18 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.116 -0.264 18441 6657 1 18 . 1 1 59 59 PHE H H 59 8.312 8.312 8.426 -0.114 18441 6658 1 18 . 1 1 60 60 ASP N N 60 120.603 120.603 118.157 2.446 18441 6659 1 18 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.418 0.253 18441 6660 1 18 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.733 1.137 18441 6661 1 18 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.500 1.041 18441 6662 1 18 . 1 1 60 60 ASP H H 60 7.462 7.462 7.811 -0.349 18441 6663 1 18 . 1 1 61 61 ALA N N 61 122.470 122.470 121.849 0.621 18441 6664 1 18 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.975 0.286 18441 6665 1 18 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.324 0.222 18441 6666 1 18 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.703 0.177 18441 6667 1 18 . 1 1 61 61 ALA H H 61 7.664 7.664 7.721 -0.057 18441 6668 1 18 . 1 1 62 62 ILE N N 62 115.525 115.525 117.930 -2.405 18441 6669 1 18 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.966 0.716 18441 6670 1 18 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.498 -0.078 18441 6671 1 18 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.898 2.257 18441 6672 1 18 . 1 1 62 62 ILE H H 62 7.653 7.653 7.821 -0.168 18441 6673 1 18 . 1 1 63 63 ARG N N 63 121.016 121.016 119.903 1.113 18441 6674 1 18 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.405 0.069 18441 6675 1 18 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.674 0.696 18441 6676 1 18 . 1 1 63 63 ARG H H 63 6.917 6.917 7.220 -0.303 18441 6677 1 18 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.107 0.204 18441 6678 1 18 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.563 0.177 18441 6679 1 18 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.037 1.150 18441 6680 1 18 . 1 1 65 65 LEU N N 65 114.713 114.713 115.769 -1.056 18441 6681 1 18 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.064 -0.144 18441 6682 1 18 . 1 1 65 65 LEU CA C 65 55.660 55.660 55.998 -0.338 18441 6683 1 18 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.848 0.260 18441 6684 1 18 . 1 1 65 65 LEU H H 65 8.074 8.074 7.538 0.536 18441 6685 1 18 . 1 1 66 66 ILE N N 66 120.129 120.129 118.867 1.262 18441 6686 1 18 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.090 0.215 18441 6687 1 18 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.666 -4.906 18441 6688 1 18 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.458 -0.814 18441 6689 1 18 . 1 1 66 66 ILE H H 66 7.398 7.398 7.491 -0.093 18441 6690 1 18 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.345 -0.040 18441 6691 1 18 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.953 0.687 18441 6692 1 18 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.315 0.974 18441 6693 1 18 . 1 1 68 68 LEU N N 68 124.673 124.673 122.067 2.606 18441 6694 1 18 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.910 -0.060 18441 6695 1 18 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.425 0.195 18441 6696 1 18 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.319 1.148 18441 6697 1 18 . 1 1 68 68 LEU H H 68 8.471 8.471 8.341 0.130 18441 6698 1 18 . 1 1 69 69 LYS N N 69 115.247 115.247 117.452 -2.205 18441 6699 1 18 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.080 0.089 18441 6700 1 18 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.226 -0.206 18441 6701 1 18 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.392 1.114 18441 6702 1 18 . 1 1 69 69 LYS H H 69 8.536 8.536 8.673 -0.137 18441 6703 1 18 . 1 1 70 70 HIS N N 70 118.849 118.849 118.715 0.134 18441 6704 1 18 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.404 0.821 18441 6705 1 18 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.279 -3.390 18441 6706 1 18 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.712 5.326 18441 6707 1 18 . 1 1 70 70 HIS H H 70 8.060 8.060 8.349 -0.289 18441 6708 1 18 . 1 1 71 71 GLN N N 71 122.130 122.130 120.074 2.056 18441 6709 1 18 . 1 1 71 71 GLN HA H 71 3.699 3.699 3.994 -0.295 18441 6710 1 18 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.504 2.186 18441 6711 1 18 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.789 0.461 18441 6712 1 18 . 1 1 71 71 GLN H H 71 7.732 7.732 8.450 -0.718 18441 6713 1 18 . 1 1 72 72 VAL N N 72 119.182 119.182 120.072 -0.890 18441 6714 1 18 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.769 0.039 18441 6715 1 18 . 1 1 72 72 VAL CA C 72 67.220 67.220 65.641 1.579 18441 6716 1 18 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.834 -0.020 18441 6717 1 18 . 1 1 72 72 VAL H H 72 8.203 8.203 7.636 0.567 18441 6718 1 18 . 1 1 73 73 GLU N N 73 121.878 121.878 119.739 2.139 18441 6719 1 18 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.044 -0.066 18441 6720 1 18 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.380 0.720 18441 6721 1 18 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.765 0.895 18441 6722 1 18 . 1 1 73 73 GLU H H 73 8.136 8.136 7.796 0.340 18441 6723 1 18 . 1 1 74 74 TYR N N 74 119.780 119.780 121.620 -1.840 18441 6724 1 18 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.159 -0.482 18441 6725 1 18 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.637 1.673 18441 6726 1 18 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.292 1.728 18441 6727 1 18 . 1 1 74 74 TYR H H 74 8.491 8.491 8.542 -0.051 18441 6728 1 18 . 1 1 75 75 ASP N N 75 120.231 120.231 118.309 1.922 18441 6729 1 18 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.503 -0.360 18441 6730 1 18 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.190 0.370 18441 6731 1 18 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.466 0.112 18441 6732 1 18 . 1 1 75 75 ASP H H 75 8.566 8.566 7.985 0.581 18441 6733 1 18 . 1 1 76 76 GLN N N 76 118.324 118.324 117.583 0.741 18441 6734 1 18 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.079 -0.023 18441 6735 1 18 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.107 0.323 18441 6736 1 18 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.877 0.553 18441 6737 1 18 . 1 1 76 76 GLN H H 76 7.844 7.844 7.673 0.171 18441 6738 1 18 . 1 1 77 77 LEU N N 77 117.932 117.932 117.448 0.484 18441 6739 1 18 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.187 0.010 18441 6740 1 18 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.270 -0.360 18441 6741 1 18 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.921 2.483 18441 6742 1 18 . 1 1 77 77 LEU H H 77 7.665 7.665 7.457 0.208 18441 6743 1 18 . 1 1 78 78 THR N N 78 110.323 110.323 113.659 -3.336 18441 6744 1 18 . 1 1 78 78 THR HA H 78 3.709 3.709 4.587 -0.878 18441 6745 1 18 . 1 1 78 78 THR CA C 78 59.750 59.750 58.603 1.147 18441 6746 1 18 . 1 1 78 78 THR CB C 78 69.110 69.110 70.117 -1.007 18441 6747 1 18 . 1 1 78 78 THR H H 78 7.130 7.130 7.426 -0.296 18441 6748 1 18 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.610 -0.364 18441 6749 1 18 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.497 1.183 18441 6750 1 18 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.548 -0.157 18441 6751 1 19 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.797 -0.267 18441 6752 1 19 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.243 1.347 18441 6753 1 19 . 1 1 2 2 ASP CB C 2 41.693 41.693 40.023 1.670 18441 6754 1 19 . 1 1 3 3 ARG N N 3 121.498 121.498 119.099 2.399 18441 6755 1 19 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.334 -0.093 18441 6756 1 19 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.263 0.407 18441 6757 1 19 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.559 -0.049 18441 6758 1 19 . 1 1 3 3 ARG H H 3 8.382 8.382 8.111 0.271 18441 6759 1 19 . 1 1 4 4 LYS N N 4 122.257 122.257 122.358 -0.101 18441 6760 1 19 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.101 -0.043 18441 6761 1 19 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.731 -0.021 18441 6762 1 19 . 1 1 4 4 LYS CB C 4 33.276 33.276 32.498 0.778 18441 6763 1 19 . 1 1 4 4 LYS H H 4 8.226 8.226 7.909 0.317 18441 6764 1 19 . 1 1 5 5 VAL N N 5 120.494 120.494 119.091 1.403 18441 6765 1 19 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.707 0.014 18441 6766 1 19 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.352 0.298 18441 6767 1 19 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.440 0.634 18441 6768 1 19 . 1 1 5 5 VAL H H 5 8.109 8.109 7.859 0.250 18441 6769 1 19 . 1 1 6 6 ALA N N 6 123.149 123.149 122.421 0.728 18441 6770 1 19 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.236 -0.201 18441 6771 1 19 . 1 1 6 6 ALA CA C 6 55.890 55.890 54.963 0.927 18441 6772 1 19 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.285 0.975 18441 6773 1 19 . 1 1 6 6 ALA H H 6 8.374 8.374 8.046 0.328 18441 6774 1 19 . 1 1 7 7 ARG N N 7 119.587 119.587 118.705 0.882 18441 6775 1 19 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.927 0.074 18441 6776 1 19 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.368 0.402 18441 6777 1 19 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.168 0.602 18441 6778 1 19 . 1 1 7 7 ARG H H 7 7.992 7.992 8.078 -0.086 18441 6779 1 19 . 1 1 8 8 GLU N N 8 119.745 119.745 120.069 -0.324 18441 6780 1 19 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.176 -0.118 18441 6781 1 19 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.783 -0.014 18441 6782 1 19 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.793 0.157 18441 6783 1 19 . 1 1 8 8 GLU H H 8 8.165 8.165 8.290 -0.125 18441 6784 1 19 . 1 1 9 9 PHE N N 9 121.436 121.436 120.246 1.190 18441 6785 1 19 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.403 -0.276 18441 6786 1 19 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.898 3.122 18441 6787 1 19 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.370 1.253 18441 6788 1 19 . 1 1 9 9 PHE H H 9 8.180 8.180 8.243 -0.063 18441 6789 1 19 . 1 1 10 10 ARG N N 10 119.028 119.028 119.586 -0.558 18441 6790 1 19 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.656 0.205 18441 6791 1 19 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.351 1.229 18441 6792 1 19 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.023 1.297 18441 6793 1 19 . 1 1 10 10 ARG H H 10 7.910 7.910 7.926 -0.016 18441 6794 1 19 . 1 1 11 11 HIS N N 11 116.563 116.563 118.374 -1.811 18441 6795 1 19 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.269 0.187 18441 6796 1 19 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.984 0.196 18441 6797 1 19 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.991 0.039 18441 6798 1 19 . 1 1 11 11 HIS H H 11 8.001 8.001 8.224 -0.223 18441 6799 1 19 . 1 1 12 12 LYS N N 12 120.773 120.773 119.002 1.771 18441 6800 1 19 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.915 0.093 18441 6801 1 19 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.534 0.446 18441 6802 1 19 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.425 0.268 18441 6803 1 19 . 1 1 12 12 LYS H H 12 7.796 7.796 7.747 0.049 18441 6804 1 19 . 1 1 13 13 VAL N N 13 120.125 120.125 120.659 -0.534 18441 6805 1 19 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.581 -0.470 18441 6806 1 19 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.737 0.443 18441 6807 1 19 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.831 0.309 18441 6808 1 19 . 1 1 13 13 VAL H H 13 7.821 7.821 8.020 -0.199 18441 6809 1 19 . 1 1 14 14 ASP N N 14 117.462 117.462 118.767 -1.305 18441 6810 1 19 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.352 -0.090 18441 6811 1 19 . 1 1 14 14 ASP CA C 14 57.400 57.400 56.925 0.475 18441 6812 1 19 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.857 0.457 18441 6813 1 19 . 1 1 14 14 ASP H H 14 8.276 8.276 7.822 0.454 18441 6814 1 19 . 1 1 15 15 PHE N N 15 117.914 117.914 119.290 -1.376 18441 6815 1 19 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.294 0.068 18441 6816 1 19 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.703 -0.513 18441 6817 1 19 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.571 1.127 18441 6818 1 19 . 1 1 15 15 PHE H H 15 7.664 7.664 7.675 -0.011 18441 6819 1 19 . 1 1 16 16 LEU N N 16 116.737 116.737 116.212 0.525 18441 6820 1 19 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.237 -0.003 18441 6821 1 19 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.851 1.569 18441 6822 1 19 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.255 2.823 18441 6823 1 19 . 1 1 16 16 LEU H H 16 7.658 7.658 8.007 -0.349 18441 6824 1 19 . 1 1 17 17 ILE N N 17 120.533 120.533 117.654 2.879 18441 6825 1 19 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.373 -0.265 18441 6826 1 19 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.068 1.472 18441 6827 1 19 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.078 1.279 18441 6828 1 19 . 1 1 17 17 ILE H H 17 8.336 8.336 7.445 0.891 18441 6829 1 19 . 1 1 18 18 GLU N N 18 124.531 124.531 123.928 0.603 18441 6830 1 19 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.040 0.170 18441 6831 1 19 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.494 0.106 18441 6832 1 19 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.591 1.419 18441 6833 1 19 . 1 1 18 18 GLU H H 18 8.276 8.276 8.519 -0.243 18441 6834 1 19 . 1 1 19 19 ASN N N 19 117.630 117.630 119.017 -1.387 18441 6835 1 19 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.593 0.212 18441 6836 1 19 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.153 0.585 18441 6837 1 19 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.510 1.668 18441 6838 1 19 . 1 1 19 19 ASN H H 19 7.700 7.700 8.023 -0.323 18441 6839 1 19 . 1 1 20 20 ASP N N 20 127.428 127.428 124.733 2.695 18441 6840 1 19 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.486 -0.237 18441 6841 1 19 . 1 1 20 20 ASP CA C 20 58.850 58.850 57.610 1.240 18441 6842 1 19 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.062 0.252 18441 6843 1 19 . 1 1 20 20 ASP H H 20 8.998 8.998 8.923 0.075 18441 6844 1 19 . 1 1 21 21 ALA N N 21 122.271 122.271 122.519 -0.248 18441 6845 1 19 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.049 0.211 18441 6846 1 19 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.611 0.389 18441 6847 1 19 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.219 0.431 18441 6848 1 19 . 1 1 21 21 ALA H H 21 8.346 8.346 7.768 0.578 18441 6849 1 19 . 1 1 22 22 GLU N N 22 118.716 118.716 117.956 0.760 18441 6850 1 19 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.975 0.139 18441 6851 1 19 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.885 0.475 18441 6852 1 19 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.085 2.687 18441 6853 1 19 . 1 1 22 22 GLU H H 22 7.724 7.724 8.889 -1.165 18441 6854 1 19 . 1 1 23 23 LYS N N 23 121.088 121.088 118.730 2.358 18441 6855 1 19 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.724 0.087 18441 6856 1 19 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.980 2.690 18441 6857 1 19 . 1 1 23 23 LYS CB C 23 33.070 33.070 32.027 1.043 18441 6858 1 19 . 1 1 23 23 LYS H H 23 7.618 7.618 7.329 0.289 18441 6859 1 19 . 1 1 24 24 ASP N N 24 119.010 119.010 120.838 -1.828 18441 6860 1 19 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.587 -0.098 18441 6861 1 19 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.537 0.973 18441 6862 1 19 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.473 0.364 18441 6863 1 19 . 1 1 24 24 ASP H H 24 8.424 8.424 8.107 0.317 18441 6864 1 19 . 1 1 25 25 TYR N N 25 120.417 120.417 120.605 -0.188 18441 6865 1 19 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.236 0.007 18441 6866 1 19 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.384 0.806 18441 6867 1 19 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.528 -0.029 18441 6868 1 19 . 1 1 25 25 TYR H H 25 7.676 7.676 8.233 -0.557 18441 6869 1 19 . 1 1 26 26 LEU N N 26 120.960 120.960 120.097 0.863 18441 6870 1 19 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.806 -0.205 18441 6871 1 19 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.725 0.715 18441 6872 1 19 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.578 0.573 18441 6873 1 19 . 1 1 26 26 LEU H H 26 7.965 7.965 7.873 0.092 18441 6874 1 19 . 1 1 27 27 TYR N N 27 116.521 116.521 117.788 -1.267 18441 6875 1 19 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.146 -0.370 18441 6876 1 19 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.616 4.794 18441 6877 1 19 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.011 1.392 18441 6878 1 19 . 1 1 27 27 TYR H H 27 8.097 8.097 8.293 -0.196 18441 6879 1 19 . 1 1 28 28 ASP N N 28 123.384 123.384 120.267 3.117 18441 6880 1 19 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.537 -0.061 18441 6881 1 19 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.752 0.788 18441 6882 1 19 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.367 1.027 18441 6883 1 19 . 1 1 28 28 ASP H H 28 8.355 8.355 7.959 0.396 18441 6884 1 19 . 1 1 29 29 VAL N N 29 121.272 121.272 120.711 0.561 18441 6885 1 19 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.781 -0.068 18441 6886 1 19 . 1 1 29 29 VAL CA C 29 66.650 66.650 67.056 -0.406 18441 6887 1 19 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.930 -0.012 18441 6888 1 19 . 1 1 29 29 VAL H H 29 8.252 8.252 7.728 0.524 18441 6889 1 19 . 1 1 30 30 LEU N N 30 122.443 122.443 120.671 1.772 18441 6890 1 19 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.195 -0.152 18441 6891 1 19 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.272 0.608 18441 6892 1 19 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.749 0.532 18441 6893 1 19 . 1 1 30 30 LEU H H 30 7.987 7.987 8.315 -0.328 18441 6894 1 19 . 1 1 31 31 ARG N N 31 122.386 122.386 118.545 3.841 18441 6895 1 19 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.121 -0.105 18441 6896 1 19 . 1 1 31 31 ARG CA C 31 60.380 60.380 58.767 1.613 18441 6897 1 19 . 1 1 31 31 ARG CB C 31 30.400 30.400 29.843 0.557 18441 6898 1 19 . 1 1 31 31 ARG H H 31 8.637 8.637 8.345 0.292 18441 6899 1 19 . 1 1 32 32 MET N N 32 120.006 120.006 119.477 0.529 18441 6900 1 19 . 1 1 32 32 MET HA H 32 4.359 4.359 4.301 0.058 18441 6901 1 19 . 1 1 32 32 MET CA C 32 58.490 58.490 58.136 0.354 18441 6902 1 19 . 1 1 32 32 MET CB C 32 31.677 31.677 32.163 -0.486 18441 6903 1 19 . 1 1 32 32 MET H H 32 8.327 8.327 8.196 0.131 18441 6904 1 19 . 1 1 33 33 TYR N N 33 123.220 123.220 120.924 2.296 18441 6905 1 19 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.248 0.476 18441 6906 1 19 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.379 0.621 18441 6907 1 19 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.796 1.891 18441 6908 1 19 . 1 1 33 33 TYR H H 33 8.054 8.054 8.531 -0.477 18441 6909 1 19 . 1 1 34 34 HIS N N 34 120.860 120.860 118.233 2.627 18441 6910 1 19 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.088 -0.312 18441 6911 1 19 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.546 1.164 18441 6912 1 19 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.226 1.166 18441 6913 1 19 . 1 1 34 34 HIS H H 34 8.548 8.548 8.004 0.544 18441 6914 1 19 . 1 1 35 35 GLN N N 35 113.582 113.582 119.028 -5.446 18441 6915 1 19 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.293 -0.293 18441 6916 1 19 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.062 0.618 18441 6917 1 19 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.310 1.240 18441 6918 1 19 . 1 1 35 35 GLN H H 35 7.542 7.542 8.296 -0.754 18441 6919 1 19 . 1 1 36 36 THR N N 36 111.117 111.117 109.677 1.440 18441 6920 1 19 . 1 1 36 36 THR HA H 36 4.214 4.214 4.196 0.018 18441 6921 1 19 . 1 1 36 36 THR CA C 36 63.980 63.980 63.021 0.959 18441 6922 1 19 . 1 1 36 36 THR CB C 36 71.670 71.670 69.566 2.104 18441 6923 1 19 . 1 1 36 36 THR H H 36 8.569 8.569 8.360 0.209 18441 6924 1 19 . 1 1 37 37 MET N N 37 120.444 120.444 116.816 3.628 18441 6925 1 19 . 1 1 37 37 MET HA H 37 3.740 3.740 4.274 -0.534 18441 6926 1 19 . 1 1 37 37 MET CA C 37 56.430 56.430 56.366 0.064 18441 6927 1 19 . 1 1 37 37 MET CB C 37 31.399 31.399 30.433 0.966 18441 6928 1 19 . 1 1 37 37 MET H H 37 9.542 9.542 7.462 2.080 18441 6929 1 19 . 1 1 38 38 ASP N N 38 117.020 117.020 121.131 -4.111 18441 6930 1 19 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.797 0.147 18441 6931 1 19 . 1 1 38 38 ASP CA C 38 53.476 53.476 54.033 -0.557 18441 6932 1 19 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.042 -0.002 18441 6933 1 19 . 1 1 38 38 ASP H H 38 7.456 7.456 7.851 -0.395 18441 6934 1 19 . 1 1 39 39 VAL N N 39 128.507 128.507 124.445 4.062 18441 6935 1 19 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.564 0.267 18441 6936 1 19 . 1 1 39 39 VAL CA C 39 64.840 64.840 63.896 0.944 18441 6937 1 19 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.389 1.311 18441 6938 1 19 . 1 1 39 39 VAL H H 39 8.425 8.425 8.569 -0.144 18441 6939 1 19 . 1 1 40 40 ALA N N 40 125.621 125.621 122.253 3.368 18441 6940 1 19 . 1 1 40 40 ALA HA H 40 3.987 3.987 3.991 -0.004 18441 6941 1 19 . 1 1 40 40 ALA CA C 40 55.860 55.860 54.732 1.128 18441 6942 1 19 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.261 0.209 18441 6943 1 19 . 1 1 40 40 ALA H H 40 7.998 7.998 8.258 -0.260 18441 6944 1 19 . 1 1 41 41 VAL N N 41 122.132 122.132 118.633 3.499 18441 6945 1 19 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.765 -0.194 18441 6946 1 19 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.942 0.738 18441 6947 1 19 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.775 0.927 18441 6948 1 19 . 1 1 41 41 VAL H H 41 7.663 7.663 7.664 -0.001 18441 6949 1 19 . 1 1 42 42 LEU N N 42 120.190 120.190 119.174 1.016 18441 6950 1 19 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.251 0.009 18441 6951 1 19 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.398 0.592 18441 6952 1 19 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.271 -0.566 18441 6953 1 19 . 1 1 42 42 LEU H H 42 7.361 7.361 7.385 -0.024 18441 6954 1 19 . 1 1 43 43 VAL N N 43 116.802 116.802 119.692 -2.890 18441 6955 1 19 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.817 -0.400 18441 6956 1 19 . 1 1 43 43 VAL CA C 43 68.780 68.780 67.078 1.702 18441 6957 1 19 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.959 1.021 18441 6958 1 19 . 1 1 43 43 VAL H H 43 8.062 8.062 7.741 0.321 18441 6959 1 19 . 1 1 44 44 GLY N N 44 106.242 106.242 107.877 -1.635 18441 6960 1 19 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.330 0.986 18441 6961 1 19 . 1 1 44 44 GLY H H 44 7.901 7.901 8.010 -0.109 18441 6962 1 19 . 1 1 45 45 ASP N N 45 123.359 123.359 123.332 0.027 18441 6963 1 19 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.322 0.343 18441 6964 1 19 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.495 0.265 18441 6965 1 19 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.774 0.094 18441 6966 1 19 . 1 1 45 45 ASP H H 45 8.680 8.680 7.814 0.866 18441 6967 1 19 . 1 1 46 46 LEU N N 46 123.201 123.201 120.318 2.883 18441 6968 1 19 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.469 0.597 18441 6969 1 19 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.434 0.686 18441 6970 1 19 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.194 1.805 18441 6971 1 19 . 1 1 46 46 LEU H H 46 9.018 9.018 8.182 0.836 18441 6972 1 19 . 1 1 47 47 LYS N N 47 119.196 119.196 117.802 1.394 18441 6973 1 19 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.026 -0.056 18441 6974 1 19 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.088 1.202 18441 6975 1 19 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.084 1.056 18441 6976 1 19 . 1 1 47 47 LYS H H 47 8.017 8.017 7.578 0.439 18441 6977 1 19 . 1 1 48 48 LEU N N 48 116.358 116.358 120.209 -3.851 18441 6978 1 19 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.940 0.221 18441 6979 1 19 . 1 1 48 48 LEU CA C 48 57.670 57.670 58.044 -0.374 18441 6980 1 19 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.120 0.041 18441 6981 1 19 . 1 1 48 48 LEU H H 48 7.143 7.143 7.530 -0.387 18441 6982 1 19 . 1 1 49 49 VAL N N 49 112.662 112.662 114.135 -1.473 18441 6983 1 19 . 1 1 49 49 VAL HA H 49 4.473 4.473 3.783 0.690 18441 6984 1 19 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.193 -0.133 18441 6985 1 19 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.099 3.067 18441 6986 1 19 . 1 1 49 49 VAL H H 49 7.266 7.266 7.139 0.127 18441 6987 1 19 . 1 1 50 50 ILE N N 50 124.631 124.631 118.093 6.538 18441 6988 1 19 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.156 -0.311 18441 6989 1 19 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.836 0.754 18441 6990 1 19 . 1 1 50 50 ILE CB C 50 35.161 35.161 37.951 -2.790 18441 6991 1 19 . 1 1 50 50 ILE H H 50 8.475 8.475 7.690 0.785 18441 6992 1 19 . 1 1 51 51 ASN N N 51 119.027 119.027 119.595 -0.568 18441 6993 1 19 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.650 0.057 18441 6994 1 19 . 1 1 51 51 ASN CA C 51 53.448 53.448 54.124 -0.676 18441 6995 1 19 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.616 0.345 18441 6996 1 19 . 1 1 51 51 ASN H H 51 7.347 7.347 8.148 -0.801 18441 6997 1 19 . 1 1 52 52 GLU N N 52 115.889 115.889 116.504 -0.615 18441 6998 1 19 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.875 0.013 18441 6999 1 19 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.918 1.867 18441 7000 1 19 . 1 1 52 52 GLU CB C 52 31.020 31.020 31.110 -0.090 18441 7001 1 19 . 1 1 52 52 GLU H H 52 7.438 7.438 7.480 -0.042 18441 7002 1 19 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.243 -0.033 18441 7003 1 19 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.695 1.265 18441 7004 1 19 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.949 0.999 18441 7005 1 19 . 1 1 54 54 SER N N 54 113.711 113.711 112.313 1.398 18441 7006 1 19 . 1 1 54 54 SER HA H 54 4.173 4.173 4.315 -0.142 18441 7007 1 19 . 1 1 54 54 SER CA C 54 61.650 61.650 60.981 0.669 18441 7008 1 19 . 1 1 54 54 SER CB C 54 62.930 62.930 63.431 -0.501 18441 7009 1 19 . 1 1 54 54 SER H H 54 8.946 8.946 8.213 0.733 18441 7010 1 19 . 1 1 55 55 ARG N N 55 116.455 116.455 118.659 -2.204 18441 7011 1 19 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.333 0.071 18441 7012 1 19 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.827 0.483 18441 7013 1 19 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.508 3.104 18441 7014 1 19 . 1 1 55 55 ARG H H 55 7.759 7.759 7.666 0.093 18441 7015 1 19 . 1 1 56 56 LEU N N 56 121.468 121.468 123.453 -1.985 18441 7016 1 19 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.293 -0.158 18441 7017 1 19 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.261 -0.361 18441 7018 1 19 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.346 1.651 18441 7019 1 19 . 1 1 56 56 LEU H H 56 7.472 7.472 8.459 -0.987 18441 7020 1 19 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.202 0.494 18441 7021 1 19 . 1 1 57 57 PRO CA C 57 66.180 66.180 65.941 0.239 18441 7022 1 19 . 1 1 57 57 PRO CB C 57 32.390 32.390 30.940 1.450 18441 7023 1 19 . 1 1 58 58 LEU N N 58 119.923 119.923 117.596 2.327 18441 7024 1 19 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.168 -0.118 18441 7025 1 19 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.323 0.997 18441 7026 1 19 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.415 0.613 18441 7027 1 19 . 1 1 58 58 LEU H H 58 8.734 8.734 7.460 1.274 18441 7028 1 19 . 1 1 59 59 PHE N N 59 116.632 116.632 120.560 -3.928 18441 7029 1 19 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.335 0.144 18441 7030 1 19 . 1 1 59 59 PHE CA C 59 63.080 63.080 59.678 3.402 18441 7031 1 19 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.083 -0.231 18441 7032 1 19 . 1 1 59 59 PHE H H 59 8.312 8.312 8.829 -0.517 18441 7033 1 19 . 1 1 60 60 ASP N N 60 120.603 120.603 118.606 1.997 18441 7034 1 19 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.451 0.220 18441 7035 1 19 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.977 0.893 18441 7036 1 19 . 1 1 60 60 ASP CB C 60 41.541 41.541 41.116 0.425 18441 7037 1 19 . 1 1 60 60 ASP H H 60 7.462 7.462 7.813 -0.351 18441 7038 1 19 . 1 1 61 61 ALA N N 61 122.470 122.470 121.948 0.522 18441 7039 1 19 . 1 1 61 61 ALA HA H 61 4.261 4.261 4.105 0.156 18441 7040 1 19 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.195 0.351 18441 7041 1 19 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.888 -0.008 18441 7042 1 19 . 1 1 61 61 ALA H H 61 7.664 7.664 7.670 -0.006 18441 7043 1 19 . 1 1 62 62 ILE N N 62 115.525 115.525 118.307 -2.782 18441 7044 1 19 . 1 1 62 62 ILE HA H 62 3.682 3.682 2.889 0.793 18441 7045 1 19 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.351 0.069 18441 7046 1 19 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.981 2.174 18441 7047 1 19 . 1 1 62 62 ILE H H 62 7.653 7.653 7.380 0.273 18441 7048 1 19 . 1 1 63 63 ARG N N 63 121.016 121.016 120.654 0.362 18441 7049 1 19 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.425 0.049 18441 7050 1 19 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.294 1.076 18441 7051 1 19 . 1 1 63 63 ARG H H 63 6.917 6.917 7.443 -0.526 18441 7052 1 19 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.115 0.196 18441 7053 1 19 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.509 0.231 18441 7054 1 19 . 1 1 64 64 PRO CB C 64 32.187 32.187 30.948 1.239 18441 7055 1 19 . 1 1 65 65 LEU N N 65 114.713 114.713 115.749 -1.036 18441 7056 1 19 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.081 -0.161 18441 7057 1 19 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.047 -0.387 18441 7058 1 19 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.938 0.171 18441 7059 1 19 . 1 1 65 65 LEU H H 65 8.074 8.074 7.397 0.677 18441 7060 1 19 . 1 1 66 66 ILE N N 66 120.129 120.129 119.000 1.129 18441 7061 1 19 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.153 0.152 18441 7062 1 19 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.812 -5.053 18441 7063 1 19 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.200 -0.556 18441 7064 1 19 . 1 1 66 66 ILE H H 66 7.398 7.398 7.607 -0.209 18441 7065 1 19 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.386 -0.082 18441 7066 1 19 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.679 0.961 18441 7067 1 19 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.435 0.854 18441 7068 1 19 . 1 1 68 68 LEU N N 68 124.673 124.673 122.294 2.379 18441 7069 1 19 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.922 -0.072 18441 7070 1 19 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.732 -0.112 18441 7071 1 19 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.443 1.024 18441 7072 1 19 . 1 1 68 68 LEU H H 68 8.471 8.471 8.322 0.149 18441 7073 1 19 . 1 1 69 69 LYS N N 69 115.247 115.247 119.127 -3.880 18441 7074 1 19 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.010 0.159 18441 7075 1 19 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.208 -0.188 18441 7076 1 19 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.932 0.574 18441 7077 1 19 . 1 1 69 69 LYS H H 69 8.536 8.536 8.323 0.213 18441 7078 1 19 . 1 1 70 70 HIS N N 70 118.849 118.849 116.663 2.186 18441 7079 1 19 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.381 0.844 18441 7080 1 19 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.278 -3.389 18441 7081 1 19 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.585 5.453 18441 7082 1 19 . 1 1 70 70 HIS H H 70 8.060 8.060 8.350 -0.290 18441 7083 1 19 . 1 1 71 71 GLN N N 71 122.130 122.130 119.316 2.814 18441 7084 1 19 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.039 -0.340 18441 7085 1 19 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.675 2.015 18441 7086 1 19 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.816 0.434 18441 7087 1 19 . 1 1 71 71 GLN H H 71 7.732 7.732 8.506 -0.774 18441 7088 1 19 . 1 1 72 72 VAL N N 72 119.182 119.182 119.510 -0.328 18441 7089 1 19 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.680 0.128 18441 7090 1 19 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.804 0.416 18441 7091 1 19 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.313 0.501 18441 7092 1 19 . 1 1 72 72 VAL H H 72 8.203 8.203 8.033 0.170 18441 7093 1 19 . 1 1 73 73 GLU N N 73 121.878 121.878 120.009 1.869 18441 7094 1 19 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.329 -0.351 18441 7095 1 19 . 1 1 73 73 GLU CA C 73 60.100 60.100 58.961 1.139 18441 7096 1 19 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.480 1.180 18441 7097 1 19 . 1 1 73 73 GLU H H 73 8.136 8.136 7.947 0.189 18441 7098 1 19 . 1 1 74 74 TYR N N 74 119.780 119.780 120.652 -0.872 18441 7099 1 19 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.065 -0.388 18441 7100 1 19 . 1 1 74 74 TYR CA C 74 63.310 63.310 62.124 1.185 18441 7101 1 19 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.447 1.573 18441 7102 1 19 . 1 1 74 74 TYR H H 74 8.491 8.491 8.311 0.180 18441 7103 1 19 . 1 1 75 75 ASP N N 75 120.231 120.231 118.593 1.638 18441 7104 1 19 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.645 -0.502 18441 7105 1 19 . 1 1 75 75 ASP CA C 75 57.560 57.560 56.453 1.107 18441 7106 1 19 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.846 -0.268 18441 7107 1 19 . 1 1 75 75 ASP H H 75 8.566 8.566 7.905 0.661 18441 7108 1 19 . 1 1 76 76 GLN N N 76 118.324 118.324 118.357 -0.033 18441 7109 1 19 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.025 0.031 18441 7110 1 19 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.370 0.060 18441 7111 1 19 . 1 1 76 76 GLN CB C 76 29.430 29.430 28.857 0.573 18441 7112 1 19 . 1 1 76 76 GLN H H 76 7.844 7.844 7.577 0.267 18441 7113 1 19 . 1 1 77 77 LEU N N 77 117.932 117.932 116.038 1.894 18441 7114 1 19 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.246 -0.049 18441 7115 1 19 . 1 1 77 77 LEU CA C 77 55.910 55.910 55.926 -0.016 18441 7116 1 19 . 1 1 77 77 LEU CB C 77 45.404 45.404 43.188 2.216 18441 7117 1 19 . 1 1 77 77 LEU H H 77 7.665 7.665 7.419 0.246 18441 7118 1 19 . 1 1 78 78 THR N N 78 110.323 110.323 113.053 -2.730 18441 7119 1 19 . 1 1 78 78 THR HA H 78 3.709 3.709 4.562 -0.853 18441 7120 1 19 . 1 1 78 78 THR CA C 78 59.750 59.750 58.959 0.791 18441 7121 1 19 . 1 1 78 78 THR CB C 78 69.110 69.110 70.872 -1.762 18441 7122 1 19 . 1 1 78 78 THR H H 78 7.130 7.130 7.584 -0.454 18441 7123 1 19 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.529 -0.283 18441 7124 1 19 . 1 1 79 79 PRO CA C 79 63.680 63.680 62.618 1.062 18441 7125 1 19 . 1 1 79 79 PRO CB C 79 32.391 32.391 33.013 -0.622 18441 7126 1 20 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.771 -0.241 18441 7127 1 20 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.473 1.117 18441 7128 1 20 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.337 0.356 18441 7129 1 20 . 1 1 3 3 ARG N N 3 121.498 121.498 120.120 1.378 18441 7130 1 20 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.426 -0.185 18441 7131 1 20 . 1 1 3 3 ARG CA C 3 57.670 57.670 56.447 1.223 18441 7132 1 20 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.848 -0.338 18441 7133 1 20 . 1 1 3 3 ARG H H 3 8.382 8.382 8.109 0.273 18441 7134 1 20 . 1 1 4 4 LYS N N 4 122.257 122.257 121.078 1.179 18441 7135 1 20 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.138 -0.080 18441 7136 1 20 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.066 0.644 18441 7137 1 20 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.526 1.750 18441 7138 1 20 . 1 1 4 4 LYS H H 4 8.226 8.226 8.290 -0.064 18441 7139 1 20 . 1 1 5 5 VAL N N 5 120.494 120.494 117.792 2.702 18441 7140 1 20 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.801 -0.080 18441 7141 1 20 . 1 1 5 5 VAL CA C 5 66.650 66.650 66.346 0.304 18441 7142 1 20 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.301 0.773 18441 7143 1 20 . 1 1 5 5 VAL H H 5 8.109 8.109 8.222 -0.113 18441 7144 1 20 . 1 1 6 6 ALA N N 6 123.149 123.149 123.060 0.089 18441 7145 1 20 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.253 -0.218 18441 7146 1 20 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.330 0.561 18441 7147 1 20 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.330 0.930 18441 7148 1 20 . 1 1 6 6 ALA H H 6 8.374 8.374 7.479 0.895 18441 7149 1 20 . 1 1 7 7 ARG N N 7 119.587 119.587 118.903 0.684 18441 7150 1 20 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.894 0.107 18441 7151 1 20 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.244 0.526 18441 7152 1 20 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.183 0.587 18441 7153 1 20 . 1 1 7 7 ARG H H 7 7.992 7.992 7.911 0.081 18441 7154 1 20 . 1 1 8 8 GLU N N 8 119.745 119.745 120.181 -0.436 18441 7155 1 20 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.126 -0.068 18441 7156 1 20 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.459 0.311 18441 7157 1 20 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.855 0.096 18441 7158 1 20 . 1 1 8 8 GLU H H 8 8.165 8.165 8.284 -0.119 18441 7159 1 20 . 1 1 9 9 PHE N N 9 121.436 121.436 119.739 1.697 18441 7160 1 20 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.370 -0.243 18441 7161 1 20 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.997 3.023 18441 7162 1 20 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.460 1.163 18441 7163 1 20 . 1 1 9 9 PHE H H 9 8.180 8.180 8.426 -0.246 18441 7164 1 20 . 1 1 10 10 ARG N N 10 119.028 119.028 119.436 -0.408 18441 7165 1 20 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.636 0.225 18441 7166 1 20 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.142 1.438 18441 7167 1 20 . 1 1 10 10 ARG CB C 10 30.320 30.320 28.942 1.378 18441 7168 1 20 . 1 1 10 10 ARG H H 10 7.910 7.910 7.936 -0.026 18441 7169 1 20 . 1 1 11 11 HIS N N 11 116.563 116.563 118.696 -2.133 18441 7170 1 20 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.218 0.238 18441 7171 1 20 . 1 1 11 11 HIS CA C 11 59.180 59.180 58.984 0.196 18441 7172 1 20 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.954 0.076 18441 7173 1 20 . 1 1 11 11 HIS H H 11 8.001 8.001 8.160 -0.159 18441 7174 1 20 . 1 1 12 12 LYS N N 12 120.773 120.773 119.032 1.741 18441 7175 1 20 . 1 1 12 12 LYS HA H 12 4.008 4.008 3.954 0.054 18441 7176 1 20 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.591 0.389 18441 7177 1 20 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.389 0.304 18441 7178 1 20 . 1 1 12 12 LYS H H 12 7.796 7.796 7.728 0.068 18441 7179 1 20 . 1 1 13 13 VAL N N 13 120.125 120.125 120.183 -0.058 18441 7180 1 20 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.661 -0.550 18441 7181 1 20 . 1 1 13 13 VAL CA C 13 68.180 68.180 67.055 1.125 18441 7182 1 20 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.305 0.835 18441 7183 1 20 . 1 1 13 13 VAL H H 13 7.821 7.821 7.818 0.003 18441 7184 1 20 . 1 1 14 14 ASP N N 14 117.462 117.462 119.116 -1.654 18441 7185 1 20 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.353 -0.091 18441 7186 1 20 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.077 0.324 18441 7187 1 20 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.866 0.448 18441 7188 1 20 . 1 1 14 14 ASP H H 14 8.276 8.276 7.825 0.451 18441 7189 1 20 . 1 1 15 15 PHE N N 15 117.914 117.914 118.839 -0.925 18441 7190 1 20 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.330 0.032 18441 7191 1 20 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.678 -0.489 18441 7192 1 20 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.604 1.094 18441 7193 1 20 . 1 1 15 15 PHE H H 15 7.664 7.664 7.717 -0.053 18441 7194 1 20 . 1 1 16 16 LEU N N 16 116.737 116.737 116.825 -0.088 18441 7195 1 20 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.260 -0.026 18441 7196 1 20 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.807 1.613 18441 7197 1 20 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.388 2.690 18441 7198 1 20 . 1 1 16 16 LEU H H 16 7.658 7.658 8.017 -0.359 18441 7199 1 20 . 1 1 17 17 ILE N N 17 120.533 120.533 116.915 3.618 18441 7200 1 20 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.346 -0.238 18441 7201 1 20 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.201 1.339 18441 7202 1 20 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.332 1.025 18441 7203 1 20 . 1 1 17 17 ILE H H 17 8.336 8.336 7.487 0.849 18441 7204 1 20 . 1 1 18 18 GLU N N 18 124.531 124.531 123.555 0.976 18441 7205 1 20 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.043 0.167 18441 7206 1 20 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.383 0.216 18441 7207 1 20 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.625 1.385 18441 7208 1 20 . 1 1 18 18 GLU H H 18 8.276 8.276 8.610 -0.334 18441 7209 1 20 . 1 1 19 19 ASN N N 19 117.630 117.630 117.156 0.474 18441 7210 1 20 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.591 0.214 18441 7211 1 20 . 1 1 19 19 ASN CA C 19 53.738 53.738 53.782 -0.044 18441 7212 1 20 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.664 1.514 18441 7213 1 20 . 1 1 19 19 ASN H H 19 7.700 7.700 7.940 -0.240 18441 7214 1 20 . 1 1 20 20 ASP N N 20 127.428 127.428 118.494 8.934 18441 7215 1 20 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.676 -0.427 18441 7216 1 20 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.238 2.612 18441 7217 1 20 . 1 1 20 20 ASP CB C 20 41.314 41.314 41.059 0.255 18441 7218 1 20 . 1 1 20 20 ASP H H 20 8.998 8.998 8.640 0.358 18441 7219 1 20 . 1 1 21 21 ALA N N 21 122.271 122.271 123.517 -1.246 18441 7220 1 20 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.072 0.188 18441 7221 1 20 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.194 0.806 18441 7222 1 20 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.266 0.384 18441 7223 1 20 . 1 1 21 21 ALA H H 21 8.346 8.346 8.225 0.121 18441 7224 1 20 . 1 1 22 22 GLU N N 22 118.716 118.716 118.181 0.535 18441 7225 1 20 . 1 1 22 22 GLU HA H 22 4.114 4.114 4.072 0.042 18441 7226 1 20 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.938 0.423 18441 7227 1 20 . 1 1 22 22 GLU CB C 22 31.772 31.772 28.956 2.816 18441 7228 1 20 . 1 1 22 22 GLU H H 22 7.724 7.724 8.859 -1.135 18441 7229 1 20 . 1 1 23 23 LYS N N 23 121.088 121.088 117.763 3.325 18441 7230 1 20 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.762 0.049 18441 7231 1 20 . 1 1 23 23 LYS CA C 23 61.670 61.670 58.920 2.750 18441 7232 1 20 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.776 1.294 18441 7233 1 20 . 1 1 23 23 LYS H H 23 7.618 7.618 8.148 -0.530 18441 7234 1 20 . 1 1 24 24 ASP N N 24 119.010 119.010 120.598 -1.588 18441 7235 1 20 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.530 -0.041 18441 7236 1 20 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.044 1.466 18441 7237 1 20 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.600 0.237 18441 7238 1 20 . 1 1 24 24 ASP H H 24 8.424 8.424 7.548 0.876 18441 7239 1 20 . 1 1 25 25 TYR N N 25 120.417 120.417 120.361 0.056 18441 7240 1 20 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.254 -0.011 18441 7241 1 20 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.178 1.012 18441 7242 1 20 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.479 0.020 18441 7243 1 20 . 1 1 25 25 TYR H H 25 7.676 7.676 8.110 -0.434 18441 7244 1 20 . 1 1 26 26 LEU N N 26 120.960 120.960 119.880 1.080 18441 7245 1 20 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.814 -0.213 18441 7246 1 20 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.645 0.795 18441 7247 1 20 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.568 0.583 18441 7248 1 20 . 1 1 26 26 LEU H H 26 7.965 7.965 7.812 0.153 18441 7249 1 20 . 1 1 27 27 TYR N N 27 116.521 116.521 118.095 -1.574 18441 7250 1 20 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.109 -0.333 18441 7251 1 20 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.307 5.103 18441 7252 1 20 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.147 1.256 18441 7253 1 20 . 1 1 27 27 TYR H H 27 8.097 8.097 7.911 0.186 18441 7254 1 20 . 1 1 28 28 ASP N N 28 123.384 123.384 120.204 3.180 18441 7255 1 20 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.426 0.050 18441 7256 1 20 . 1 1 28 28 ASP CA C 28 58.540 58.540 58.431 0.109 18441 7257 1 20 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.938 0.456 18441 7258 1 20 . 1 1 28 28 ASP H H 28 8.355 8.355 7.935 0.420 18441 7259 1 20 . 1 1 29 29 VAL N N 29 121.272 121.272 119.924 1.348 18441 7260 1 20 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.772 -0.059 18441 7261 1 20 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.847 -0.197 18441 7262 1 20 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.727 0.191 18441 7263 1 20 . 1 1 29 29 VAL H H 29 8.252 8.252 8.022 0.230 18441 7264 1 20 . 1 1 30 30 LEU N N 30 122.443 122.443 119.807 2.636 18441 7265 1 20 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.038 0.005 18441 7266 1 20 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.227 0.653 18441 7267 1 20 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.526 0.755 18441 7268 1 20 . 1 1 30 30 LEU H H 30 7.987 7.987 8.064 -0.077 18441 7269 1 20 . 1 1 31 31 ARG N N 31 122.386 122.386 119.183 3.203 18441 7270 1 20 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.064 -0.048 18441 7271 1 20 . 1 1 31 31 ARG CA C 31 60.380 60.380 60.031 0.349 18441 7272 1 20 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.340 0.060 18441 7273 1 20 . 1 1 31 31 ARG H H 31 8.637 8.637 8.370 0.267 18441 7274 1 20 . 1 1 32 32 MET N N 32 120.006 120.006 119.510 0.496 18441 7275 1 20 . 1 1 32 32 MET HA H 32 4.359 4.359 4.250 0.109 18441 7276 1 20 . 1 1 32 32 MET CA C 32 58.490 58.490 59.349 -0.859 18441 7277 1 20 . 1 1 32 32 MET CB C 32 31.677 31.677 32.449 -0.772 18441 7278 1 20 . 1 1 32 32 MET H H 32 8.327 8.327 8.194 0.133 18441 7279 1 20 . 1 1 33 33 TYR N N 33 123.220 123.220 119.985 3.235 18441 7280 1 20 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.156 0.568 18441 7281 1 20 . 1 1 33 33 TYR CA C 33 61.000 61.000 61.656 -0.656 18441 7282 1 20 . 1 1 33 33 TYR CB C 33 39.687 39.687 38.038 1.649 18441 7283 1 20 . 1 1 33 33 TYR H H 33 8.054 8.054 8.286 -0.232 18441 7284 1 20 . 1 1 34 34 HIS N N 34 120.860 120.860 117.751 3.109 18441 7285 1 20 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.303 -0.527 18441 7286 1 20 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.002 1.708 18441 7287 1 20 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.573 0.819 18441 7288 1 20 . 1 1 34 34 HIS H H 34 8.548 8.548 7.892 0.656 18441 7289 1 20 . 1 1 35 35 GLN N N 35 113.582 113.582 118.257 -4.675 18441 7290 1 20 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.199 -0.199 18441 7291 1 20 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.582 0.098 18441 7292 1 20 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.789 0.761 18441 7293 1 20 . 1 1 35 35 GLN H H 35 7.542 7.542 8.465 -0.923 18441 7294 1 20 . 1 1 36 36 THR N N 36 111.117 111.117 109.506 1.611 18441 7295 1 20 . 1 1 36 36 THR HA H 36 4.214 4.214 4.325 -0.111 18441 7296 1 20 . 1 1 36 36 THR CA C 36 63.980 63.980 62.175 1.805 18441 7297 1 20 . 1 1 36 36 THR CB C 36 71.670 71.670 70.004 1.666 18441 7298 1 20 . 1 1 36 36 THR H H 36 8.569 8.569 8.182 0.387 18441 7299 1 20 . 1 1 37 37 MET N N 37 120.444 120.444 118.977 1.467 18441 7300 1 20 . 1 1 37 37 MET HA H 37 3.740 3.740 3.952 -0.212 18441 7301 1 20 . 1 1 37 37 MET CA C 37 56.430 56.430 56.297 0.133 18441 7302 1 20 . 1 1 37 37 MET CB C 37 31.399 31.399 31.427 -0.028 18441 7303 1 20 . 1 1 37 37 MET H H 37 9.542 9.542 8.270 1.272 18441 7304 1 20 . 1 1 38 38 ASP N N 38 117.020 117.020 120.852 -3.832 18441 7305 1 20 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.754 0.190 18441 7306 1 20 . 1 1 38 38 ASP CA C 38 53.476 53.476 54.322 -0.846 18441 7307 1 20 . 1 1 38 38 ASP CB C 38 42.040 42.040 41.703 0.337 18441 7308 1 20 . 1 1 38 38 ASP H H 38 7.456 7.456 8.012 -0.556 18441 7309 1 20 . 1 1 39 39 VAL N N 39 128.507 128.507 125.628 2.879 18441 7310 1 20 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.868 -0.037 18441 7311 1 20 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.467 0.373 18441 7312 1 20 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.585 1.115 18441 7313 1 20 . 1 1 39 39 VAL H H 39 8.425 8.425 8.678 -0.253 18441 7314 1 20 . 1 1 40 40 ALA N N 40 125.621 125.621 122.146 3.475 18441 7315 1 20 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.201 -0.214 18441 7316 1 20 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.314 0.546 18441 7317 1 20 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.236 0.234 18441 7318 1 20 . 1 1 40 40 ALA H H 40 7.998 7.998 8.424 -0.426 18441 7319 1 20 . 1 1 41 41 VAL N N 41 122.132 122.132 119.296 2.836 18441 7320 1 20 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.819 -0.248 18441 7321 1 20 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.727 0.953 18441 7322 1 20 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.549 1.153 18441 7323 1 20 . 1 1 41 41 VAL H H 41 7.663 7.663 8.118 -0.455 18441 7324 1 20 . 1 1 42 42 LEU N N 42 120.190 120.190 120.622 -0.432 18441 7325 1 20 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.291 -0.031 18441 7326 1 20 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.160 0.830 18441 7327 1 20 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.312 -0.607 18441 7328 1 20 . 1 1 42 42 LEU H H 42 7.361 7.361 7.741 -0.380 18441 7329 1 20 . 1 1 43 43 VAL N N 43 116.802 116.802 120.078 -3.276 18441 7330 1 20 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.728 -0.311 18441 7331 1 20 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.765 2.015 18441 7332 1 20 . 1 1 43 43 VAL CB C 43 31.980 31.980 31.293 0.687 18441 7333 1 20 . 1 1 43 43 VAL H H 43 8.062 8.062 7.725 0.337 18441 7334 1 20 . 1 1 44 44 GLY N N 44 106.242 106.242 107.605 -1.363 18441 7335 1 20 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.455 0.862 18441 7336 1 20 . 1 1 44 44 GLY H H 44 7.901 7.901 8.191 -0.290 18441 7337 1 20 . 1 1 45 45 ASP N N 45 123.359 123.359 123.309 0.050 18441 7338 1 20 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.328 0.337 18441 7339 1 20 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.165 0.595 18441 7340 1 20 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.555 0.313 18441 7341 1 20 . 1 1 45 45 ASP H H 45 8.680 8.680 7.782 0.898 18441 7342 1 20 . 1 1 46 46 LEU N N 46 123.201 123.201 120.309 2.892 18441 7343 1 20 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.707 0.359 18441 7344 1 20 . 1 1 46 46 LEU CA C 46 58.120 58.120 57.850 0.270 18441 7345 1 20 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.578 1.421 18441 7346 1 20 . 1 1 46 46 LEU H H 46 9.018 9.018 8.042 0.976 18441 7347 1 20 . 1 1 47 47 LYS N N 47 119.196 119.196 118.947 0.249 18441 7348 1 20 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.155 -0.185 18441 7349 1 20 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.812 0.478 18441 7350 1 20 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.291 0.850 18441 7351 1 20 . 1 1 47 47 LYS H H 47 8.017 8.017 7.660 0.357 18441 7352 1 20 . 1 1 48 48 LEU N N 48 116.358 116.358 119.599 -3.241 18441 7353 1 20 . 1 1 48 48 LEU HA H 48 4.161 4.161 3.985 0.176 18441 7354 1 20 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.600 0.070 18441 7355 1 20 . 1 1 48 48 LEU CB C 48 42.160 42.160 41.768 0.392 18441 7356 1 20 . 1 1 48 48 LEU H H 48 7.143 7.143 7.595 -0.452 18441 7357 1 20 . 1 1 49 49 VAL N N 49 112.662 112.662 115.807 -3.145 18441 7358 1 20 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.066 0.407 18441 7359 1 20 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.280 -0.220 18441 7360 1 20 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.470 2.696 18441 7361 1 20 . 1 1 49 49 VAL H H 49 7.266 7.266 7.484 -0.218 18441 7362 1 20 . 1 1 50 50 ILE N N 50 124.631 124.631 118.912 5.719 18441 7363 1 20 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.337 -0.492 18441 7364 1 20 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.757 0.833 18441 7365 1 20 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.863 -3.702 18441 7366 1 20 . 1 1 50 50 ILE H H 50 8.475 8.475 7.655 0.820 18441 7367 1 20 . 1 1 51 51 ASN N N 51 119.027 119.027 119.037 -0.010 18441 7368 1 20 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.607 0.100 18441 7369 1 20 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.337 0.111 18441 7370 1 20 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.084 0.877 18441 7371 1 20 . 1 1 51 51 ASN H H 51 7.347 7.347 8.083 -0.736 18441 7372 1 20 . 1 1 52 52 GLU N N 52 115.889 115.889 118.675 -2.786 18441 7373 1 20 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.765 0.123 18441 7374 1 20 . 1 1 52 52 GLU CA C 52 54.785 54.785 53.076 1.709 18441 7375 1 20 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.759 0.261 18441 7376 1 20 . 1 1 52 52 GLU H H 52 7.438 7.438 7.527 -0.089 18441 7377 1 20 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.234 -0.024 18441 7378 1 20 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.649 1.311 18441 7379 1 20 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.931 1.017 18441 7380 1 20 . 1 1 54 54 SER N N 54 113.711 113.711 110.981 2.730 18441 7381 1 20 . 1 1 54 54 SER HA H 54 4.173 4.173 4.349 -0.176 18441 7382 1 20 . 1 1 54 54 SER CA C 54 61.650 61.650 60.442 1.208 18441 7383 1 20 . 1 1 54 54 SER CB C 54 62.930 62.930 63.482 -0.552 18441 7384 1 20 . 1 1 54 54 SER H H 54 8.946 8.946 8.120 0.826 18441 7385 1 20 . 1 1 55 55 ARG N N 55 116.455 116.455 119.247 -2.792 18441 7386 1 20 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.376 0.028 18441 7387 1 20 . 1 1 55 55 ARG CA C 55 57.310 57.310 57.180 0.130 18441 7388 1 20 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.420 3.192 18441 7389 1 20 . 1 1 55 55 ARG H H 55 7.759 7.759 7.786 -0.027 18441 7390 1 20 . 1 1 56 56 LEU N N 56 121.468 121.468 123.173 -1.705 18441 7391 1 20 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.220 -0.085 18441 7392 1 20 . 1 1 56 56 LEU CA C 56 59.900 59.900 60.203 -0.303 18441 7393 1 20 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.337 1.660 18441 7394 1 20 . 1 1 56 56 LEU H H 56 7.472 7.472 8.547 -1.075 18441 7395 1 20 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.176 0.520 18441 7396 1 20 . 1 1 57 57 PRO CA C 57 66.180 66.180 65.985 0.195 18441 7397 1 20 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.017 1.373 18441 7398 1 20 . 1 1 58 58 LEU N N 58 119.923 119.923 118.469 1.454 18441 7399 1 20 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.030 0.020 18441 7400 1 20 . 1 1 58 58 LEU CA C 58 58.320 58.320 58.129 0.191 18441 7401 1 20 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.517 0.511 18441 7402 1 20 . 1 1 58 58 LEU H H 58 8.734 8.734 7.719 1.015 18441 7403 1 20 . 1 1 59 59 PHE N N 59 116.632 116.632 120.069 -3.437 18441 7404 1 20 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.235 0.244 18441 7405 1 20 . 1 1 59 59 PHE CA C 59 63.080 63.080 62.002 1.078 18441 7406 1 20 . 1 1 59 59 PHE CB C 59 38.852 38.852 39.097 -0.245 18441 7407 1 20 . 1 1 59 59 PHE H H 59 8.312 8.312 8.738 -0.426 18441 7408 1 20 . 1 1 60 60 ASP N N 60 120.603 120.603 118.101 2.502 18441 7409 1 20 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.486 0.185 18441 7410 1 20 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.672 1.198 18441 7411 1 20 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.660 0.881 18441 7412 1 20 . 1 1 60 60 ASP H H 60 7.462 7.462 7.844 -0.382 18441 7413 1 20 . 1 1 61 61 ALA N N 61 122.470 122.470 121.375 1.095 18441 7414 1 20 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.884 0.377 18441 7415 1 20 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.555 -0.009 18441 7416 1 20 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.973 -0.093 18441 7417 1 20 . 1 1 61 61 ALA H H 61 7.664 7.664 7.667 -0.003 18441 7418 1 20 . 1 1 62 62 ILE N N 62 115.525 115.525 117.933 -2.408 18441 7419 1 20 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.052 0.630 18441 7420 1 20 . 1 1 62 62 ILE CA C 62 63.420 63.420 62.949 0.471 18441 7421 1 20 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.872 2.283 18441 7422 1 20 . 1 1 62 62 ILE H H 62 7.653 7.653 7.692 -0.039 18441 7423 1 20 . 1 1 63 63 ARG N N 63 121.016 121.016 120.818 0.198 18441 7424 1 20 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.655 -0.181 18441 7425 1 20 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.368 1.002 18441 7426 1 20 . 1 1 63 63 ARG H H 63 6.917 6.917 7.518 -0.601 18441 7427 1 20 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.189 0.122 18441 7428 1 20 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.186 0.554 18441 7429 1 20 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.079 1.108 18441 7430 1 20 . 1 1 65 65 LEU N N 65 114.713 114.713 116.235 -1.522 18441 7431 1 20 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.074 -0.154 18441 7432 1 20 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.002 -0.342 18441 7433 1 20 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.702 0.406 18441 7434 1 20 . 1 1 65 65 LEU H H 65 8.074 8.074 7.402 0.672 18441 7435 1 20 . 1 1 66 66 ILE N N 66 120.129 120.129 118.552 1.577 18441 7436 1 20 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.102 0.203 18441 7437 1 20 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.311 -4.551 18441 7438 1 20 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.427 -0.783 18441 7439 1 20 . 1 1 66 66 ILE H H 66 7.398 7.398 7.336 0.062 18441 7440 1 20 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.318 -0.013 18441 7441 1 20 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.688 0.952 18441 7442 1 20 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.309 0.980 18441 7443 1 20 . 1 1 68 68 LEU N N 68 124.673 124.673 123.789 0.884 18441 7444 1 20 . 1 1 68 68 LEU HA H 68 3.850 3.850 4.013 -0.163 18441 7445 1 20 . 1 1 68 68 LEU CA C 68 59.620 59.620 58.919 0.701 18441 7446 1 20 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.642 0.826 18441 7447 1 20 . 1 1 68 68 LEU H H 68 8.471 8.471 8.358 0.113 18441 7448 1 20 . 1 1 69 69 LYS N N 69 115.247 115.247 116.792 -1.545 18441 7449 1 20 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.044 0.125 18441 7450 1 20 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.442 -0.422 18441 7451 1 20 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.062 1.444 18441 7452 1 20 . 1 1 69 69 LYS H H 69 8.536 8.536 8.584 -0.048 18441 7453 1 20 . 1 1 70 70 HIS N N 70 118.849 118.849 118.582 0.267 18441 7454 1 20 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.380 0.845 18441 7455 1 20 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.422 -3.533 18441 7456 1 20 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.655 5.383 18441 7457 1 20 . 1 1 70 70 HIS H H 70 8.060 8.060 8.316 -0.256 18441 7458 1 20 . 1 1 71 71 GLN N N 71 122.130 122.130 119.184 2.946 18441 7459 1 20 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.097 -0.398 18441 7460 1 20 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.524 2.166 18441 7461 1 20 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.841 0.409 18441 7462 1 20 . 1 1 71 71 GLN H H 71 7.732 7.732 8.461 -0.729 18441 7463 1 20 . 1 1 72 72 VAL N N 72 119.182 119.182 119.937 -0.755 18441 7464 1 20 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.718 0.090 18441 7465 1 20 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.705 0.515 18441 7466 1 20 . 1 1 72 72 VAL CB C 72 31.814 31.814 30.995 0.819 18441 7467 1 20 . 1 1 72 72 VAL H H 72 8.203 8.203 7.856 0.347 18441 7468 1 20 . 1 1 73 73 GLU N N 73 121.878 121.878 120.009 1.869 18441 7469 1 20 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.075 -0.097 18441 7470 1 20 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.409 0.691 18441 7471 1 20 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.841 0.819 18441 7472 1 20 . 1 1 73 73 GLU H H 73 8.136 8.136 7.915 0.221 18441 7473 1 20 . 1 1 74 74 TYR N N 74 119.780 119.780 121.168 -1.388 18441 7474 1 20 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.244 -0.567 18441 7475 1 20 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.858 1.452 18441 7476 1 20 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.563 1.457 18441 7477 1 20 . 1 1 74 74 TYR H H 74 8.491 8.491 8.475 0.016 18441 7478 1 20 . 1 1 75 75 ASP N N 75 120.231 120.231 119.289 0.942 18441 7479 1 20 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.472 -0.329 18441 7480 1 20 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.009 0.551 18441 7481 1 20 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.679 -0.101 18441 7482 1 20 . 1 1 75 75 ASP H H 75 8.566 8.566 8.582 -0.016 18441 7483 1 20 . 1 1 76 76 GLN N N 76 118.324 118.324 117.467 0.857 18441 7484 1 20 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.069 -0.013 18441 7485 1 20 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.651 -0.221 18441 7486 1 20 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.324 0.106 18441 7487 1 20 . 1 1 76 76 GLN H H 76 7.844 7.844 7.798 0.046 18441 7488 1 20 . 1 1 77 77 LEU N N 77 117.932 117.932 117.274 0.658 18441 7489 1 20 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.156 0.041 18441 7490 1 20 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.380 -0.470 18441 7491 1 20 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.560 2.844 18441 7492 1 20 . 1 1 77 77 LEU H H 77 7.665 7.665 7.526 0.139 18441 7493 1 20 . 1 1 78 78 THR N N 78 110.323 110.323 114.201 -3.878 18441 7494 1 20 . 1 1 78 78 THR HA H 78 3.709 3.709 4.228 -0.519 18441 7495 1 20 . 1 1 78 78 THR CA C 78 59.750 59.750 59.309 0.441 18441 7496 1 20 . 1 1 78 78 THR CB C 78 69.110 69.110 69.740 -0.630 18441 7497 1 20 . 1 1 78 78 THR H H 78 7.130 7.130 7.244 -0.114 18441 7498 1 20 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.265 -0.019 18441 7499 1 20 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.107 0.573 18441 7500 1 20 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.223 0.168 18441 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 72 2.465 -0.505 2.430 18441 2 1 1 "Average Difference" HA 79 0.297 0.010 0.299 18441 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18441 4 1 1 "Average Difference" CA 78 1.439 -0.648 1.293 18441 5 1 1 "Average Difference" CB 76 1.378 -0.825 1.110 18441 6 1 1 "Average Difference" HN 72 0.487 -0.054 0.487 18441 7 1 2 "Average Difference" N 72 2.506 -0.570 2.457 18441 8 1 2 "Average Difference" HA 79 0.280 -0.011 0.281 18441 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18441 10 1 2 "Average Difference" CA 78 1.427 -0.598 1.304 18441 11 1 2 "Average Difference" CB 76 1.370 -0.793 1.124 18441 12 1 2 "Average Difference" HN 72 0.500 -0.060 0.500 18441 13 1 3 "Average Difference" N 72 2.581 -0.599 2.529 18441 14 1 3 "Average Difference" HA 79 0.265 -0.018 0.267 18441 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18441 16 1 3 "Average Difference" CA 78 1.536 -0.476 1.470 18441 17 1 3 "Average Difference" CB 76 1.432 -0.862 1.150 18441 18 1 3 "Average Difference" HN 72 0.540 -0.087 0.537 18441 19 1 4 "Average Difference" N 72 2.507 -0.624 2.445 18441 20 1 4 "Average Difference" HA 79 0.277 -0.006 0.278 18441 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18441 22 1 4 "Average Difference" CA 78 1.430 -0.628 1.294 18441 23 1 4 "Average Difference" CB 76 1.365 -0.794 1.118 18441 24 1 4 "Average Difference" HN 72 0.518 -0.064 0.518 18441 25 1 5 "Average Difference" N 72 2.472 -0.446 2.449 18441 26 1 5 "Average Difference" HA 79 0.261 -0.002 0.263 18441 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18441 28 1 5 "Average Difference" CA 78 1.328 -0.629 1.178 18441 29 1 5 "Average Difference" CB 76 1.369 -0.782 1.131 18441 30 1 5 "Average Difference" HN 72 0.531 -0.077 0.529 18441 31 1 6 "Average Difference" N 72 2.638 -0.544 2.600 18441 32 1 6 "Average Difference" HA 79 0.263 -0.001 0.264 18441 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18441 34 1 6 "Average Difference" CA 78 1.577 -0.513 1.501 18441 35 1 6 "Average Difference" CB 76 1.458 -0.865 1.181 18441 36 1 6 "Average Difference" HN 72 0.518 -0.076 0.516 18441 37 1 7 "Average Difference" N 72 2.544 -0.522 2.508 18441 38 1 7 "Average Difference" HA 79 0.273 -0.001 0.275 18441 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18441 40 1 7 "Average Difference" CA 78 1.398 -0.662 1.240 18441 41 1 7 "Average Difference" CB 76 1.355 -0.839 1.071 18441 42 1 7 "Average Difference" HN 72 0.524 -0.070 0.522 18441 43 1 8 "Average Difference" N 72 2.243 -0.327 2.234 18441 44 1 8 "Average Difference" HA 79 0.256 -0.007 0.257 18441 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18441 46 1 8 "Average Difference" CA 78 1.280 -0.576 1.151 18441 47 1 8 "Average Difference" CB 76 1.369 -0.817 1.105 18441 48 1 8 "Average Difference" HN 72 0.514 -0.050 0.515 18441 49 1 9 "Average Difference" N 72 2.509 -0.480 2.480 18441 50 1 9 "Average Difference" HA 79 0.237 -0.014 0.238 18441 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18441 52 1 9 "Average Difference" CA 78 1.567 -0.469 1.504 18441 53 1 9 "Average Difference" CB 76 1.367 -0.873 1.059 18441 54 1 9 "Average Difference" HN 72 0.543 -0.095 0.539 18441 55 1 10 "Average Difference" N 72 2.370 -0.365 2.358 18441 56 1 10 "Average Difference" HA 79 0.255 -0.001 0.257 18441 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18441 58 1 10 "Average Difference" CA 78 1.361 -0.542 1.256 18441 59 1 10 "Average Difference" CB 76 1.413 -0.827 1.153 18441 60 1 10 "Average Difference" HN 72 0.509 -0.031 0.512 18441 61 1 11 "Average Difference" N 72 2.316 -0.486 2.280 18441 62 1 11 "Average Difference" HA 79 0.269 -0.005 0.271 18441 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18441 64 1 11 "Average Difference" CA 78 1.512 -0.508 1.433 18441 65 1 11 "Average Difference" CB 76 1.375 -0.788 1.135 18441 66 1 11 "Average Difference" HN 72 0.529 -0.084 0.527 18441 67 1 12 "Average Difference" N 72 2.405 -0.424 2.384 18441 68 1 12 "Average Difference" HA 79 0.262 -0.007 0.264 18441 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18441 70 1 12 "Average Difference" CA 78 1.527 -0.502 1.451 18441 71 1 12 "Average Difference" CB 76 1.397 -0.838 1.126 18441 72 1 12 "Average Difference" HN 72 0.509 -0.050 0.510 18441 73 1 13 "Average Difference" N 72 2.477 -0.514 2.439 18441 74 1 13 "Average Difference" HA 79 0.278 -0.014 0.280 18441 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18441 76 1 13 "Average Difference" CA 78 1.324 -0.577 1.200 18441 77 1 13 "Average Difference" CB 76 1.360 -0.825 1.089 18441 78 1 13 "Average Difference" HN 72 0.507 -0.060 0.507 18441 79 1 14 "Average Difference" N 72 2.575 -0.539 2.536 18441 80 1 14 "Average Difference" HA 79 0.278 -0.001 0.280 18441 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18441 82 1 14 "Average Difference" CA 78 1.506 -0.476 1.438 18441 83 1 14 "Average Difference" CB 76 1.421 -0.827 1.163 18441 84 1 14 "Average Difference" HN 72 0.497 -0.037 0.499 18441 85 1 15 "Average Difference" N 72 2.372 -0.507 2.334 18441 86 1 15 "Average Difference" HA 79 0.293 -0.016 0.295 18441 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18441 88 1 15 "Average Difference" CA 78 1.478 -0.528 1.390 18441 89 1 15 "Average Difference" CB 76 1.407 -0.811 1.158 18441 90 1 15 "Average Difference" HN 72 0.496 -0.076 0.493 18441 91 1 16 "Average Difference" N 72 2.378 -0.489 2.344 18441 92 1 16 "Average Difference" HA 79 0.285 0.002 0.287 18441 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18441 94 1 16 "Average Difference" CA 78 1.384 -0.695 1.205 18441 95 1 16 "Average Difference" CB 76 1.332 -0.795 1.076 18441 96 1 16 "Average Difference" HN 72 0.492 -0.063 0.491 18441 97 1 17 "Average Difference" N 72 2.375 -0.463 2.346 18441 98 1 17 "Average Difference" HA 79 0.267 -0.002 0.269 18441 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18441 100 1 17 "Average Difference" CA 78 1.349 -0.657 1.186 18441 101 1 17 "Average Difference" CB 76 1.320 -0.709 1.120 18441 102 1 17 "Average Difference" HN 72 0.539 -0.088 0.536 18441 103 1 18 "Average Difference" N 72 2.441 -0.439 2.419 18441 104 1 18 "Average Difference" HA 79 0.276 -0.007 0.278 18441 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18441 106 1 18 "Average Difference" CA 78 1.339 -0.606 1.202 18441 107 1 18 "Average Difference" CB 76 1.421 -0.771 1.202 18441 108 1 18 "Average Difference" HN 72 0.511 -0.059 0.511 18441 109 1 19 "Average Difference" N 72 2.279 -0.429 2.254 18441 110 1 19 "Average Difference" HA 79 0.290 0.005 0.292 18441 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18441 112 1 19 "Average Difference" CA 78 1.342 -0.628 1.194 18441 113 1 19 "Average Difference" CB 76 1.370 -0.804 1.117 18441 114 1 19 "Average Difference" HN 72 0.521 -0.072 0.519 18441 115 1 20 "Average Difference" N 72 2.430 -0.452 2.404 18441 116 1 20 "Average Difference" HA 79 0.268 0.010 0.270 18441 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18441 118 1 20 "Average Difference" CA 78 1.327 -0.590 1.196 18441 119 1 20 "Average Difference" CB 76 1.361 -0.786 1.118 18441 120 1 20 "Average Difference" HN 72 0.496 -0.027 0.498 18441 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 18441 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.530 4.530 4.813 -0.283 18441 2 1 . 1 1 2 2 ASP CA C 2 55.590 55.590 54.177 1.413 18441 3 1 . 1 1 2 2 ASP CB C 2 41.693 41.693 41.712 -0.019 18441 4 1 . 1 1 3 3 ARG N N 3 121.498 121.498 120.517 0.981 18441 5 1 . 1 1 3 3 ARG HA H 3 4.241 4.241 4.196 0.045 18441 6 1 . 1 1 3 3 ARG CA C 3 57.670 57.670 57.773 -0.103 18441 7 1 . 1 1 3 3 ARG CB C 3 30.510 30.510 30.388 0.122 18441 8 1 . 1 1 3 3 ARG H H 3 8.382 8.382 8.377 0.005 18441 9 1 . 1 1 4 4 LYS N N 4 122.257 122.257 120.635 1.622 18441 10 1 . 1 1 4 4 LYS HA H 4 4.058 4.058 4.098 -0.040 18441 11 1 . 1 1 4 4 LYS CA C 4 59.710 59.710 59.211 0.499 18441 12 1 . 1 1 4 4 LYS CB C 4 33.276 33.276 31.951 1.325 18441 13 1 . 1 1 4 4 LYS H H 4 8.226 8.226 8.262 -0.036 18441 14 1 . 1 1 5 5 VAL N N 5 120.494 120.494 118.294 2.200 18441 15 1 . 1 1 5 5 VAL HA H 5 3.721 3.721 3.790 -0.069 18441 16 1 . 1 1 5 5 VAL CA C 5 66.650 66.650 65.741 0.909 18441 17 1 . 1 1 5 5 VAL CB C 5 32.074 32.074 31.275 0.799 18441 18 1 . 1 1 5 5 VAL H H 5 8.109 8.109 8.045 0.064 18441 19 1 . 1 1 6 6 ALA N N 6 123.149 123.149 122.985 0.164 18441 20 1 . 1 1 6 6 ALA HA H 6 4.035 4.035 4.262 -0.227 18441 21 1 . 1 1 6 6 ALA CA C 6 55.890 55.890 55.222 0.668 18441 22 1 . 1 1 6 6 ALA CB C 6 19.260 19.260 18.328 0.932 18441 23 1 . 1 1 6 6 ALA H H 6 8.374 8.374 7.648 0.726 18441 24 1 . 1 1 7 7 ARG N N 7 119.587 119.587 118.613 0.974 18441 25 1 . 1 1 7 7 ARG HA H 7 4.001 4.001 3.897 0.104 18441 26 1 . 1 1 7 7 ARG CA C 7 59.770 59.770 59.236 0.534 18441 27 1 . 1 1 7 7 ARG CB C 7 30.770 30.770 30.086 0.684 18441 28 1 . 1 1 7 7 ARG H H 7 7.992 7.992 7.920 0.072 18441 29 1 . 1 1 8 8 GLU N N 8 119.745 119.745 120.135 -0.390 18441 30 1 . 1 1 8 8 GLU HA H 8 4.058 4.058 4.083 -0.025 18441 31 1 . 1 1 8 8 GLU CA C 8 59.770 59.770 59.595 0.175 18441 32 1 . 1 1 8 8 GLU CB C 8 29.950 29.950 29.729 0.221 18441 33 1 . 1 1 8 8 GLU H H 8 8.165 8.165 8.199 -0.034 18441 34 1 . 1 1 9 9 PHE N N 9 121.436 121.436 119.742 1.694 18441 35 1 . 1 1 9 9 PHE HA H 9 4.127 4.127 4.392 -0.265 18441 36 1 . 1 1 9 9 PHE CA C 9 63.020 63.020 59.967 3.053 18441 37 1 . 1 1 9 9 PHE CB C 9 39.623 39.623 38.549 1.074 18441 38 1 . 1 1 9 9 PHE H H 9 8.180 8.180 8.260 -0.080 18441 39 1 . 1 1 10 10 ARG N N 10 119.028 119.028 119.831 -0.803 18441 40 1 . 1 1 10 10 ARG HA H 10 3.861 3.861 3.534 0.326 18441 41 1 . 1 1 10 10 ARG CA C 10 59.580 59.580 58.977 0.603 18441 42 1 . 1 1 10 10 ARG CB C 10 30.320 30.320 29.264 1.056 18441 43 1 . 1 1 10 10 ARG H H 10 7.910 7.910 7.943 -0.033 18441 44 1 . 1 1 11 11 HIS N N 11 116.563 116.563 118.437 -1.874 18441 45 1 . 1 1 11 11 HIS HA H 11 4.456 4.456 4.256 0.200 18441 46 1 . 1 1 11 11 HIS CA C 11 59.180 59.180 59.068 0.112 18441 47 1 . 1 1 11 11 HIS CB C 11 30.030 30.030 29.925 0.105 18441 48 1 . 1 1 11 11 HIS H H 11 8.001 8.001 8.176 -0.175 18441 49 1 . 1 1 12 12 LYS N N 12 120.773 120.773 119.235 1.538 18441 50 1 . 1 1 12 12 LYS HA H 12 4.008 4.008 4.023 -0.015 18441 51 1 . 1 1 12 12 LYS CA C 12 59.980 59.980 59.625 0.355 18441 52 1 . 1 1 12 12 LYS CB C 12 32.693 32.693 32.377 0.316 18441 53 1 . 1 1 12 12 LYS H H 12 7.796 7.796 7.762 0.034 18441 54 1 . 1 1 13 13 VAL N N 13 120.125 120.125 120.259 -0.134 18441 55 1 . 1 1 13 13 VAL HA H 13 3.111 3.111 3.644 -0.533 18441 56 1 . 1 1 13 13 VAL CA C 13 68.180 68.180 66.953 1.227 18441 57 1 . 1 1 13 13 VAL CB C 13 32.140 32.140 31.480 0.660 18441 58 1 . 1 1 13 13 VAL H H 13 7.821 7.821 7.888 -0.067 18441 59 1 . 1 1 14 14 ASP N N 14 117.462 117.462 119.231 -1.769 18441 60 1 . 1 1 14 14 ASP HA H 14 4.262 4.262 4.340 -0.078 18441 61 1 . 1 1 14 14 ASP CA C 14 57.400 57.400 57.118 0.282 18441 62 1 . 1 1 14 14 ASP CB C 14 41.314 41.314 40.845 0.469 18441 63 1 . 1 1 14 14 ASP H H 14 8.276 8.276 7.808 0.468 18441 64 1 . 1 1 15 15 PHE N N 15 117.914 117.914 119.184 -1.271 18441 65 1 . 1 1 15 15 PHE HA H 15 4.362 4.362 4.294 0.068 18441 66 1 . 1 1 15 15 PHE CA C 15 60.190 60.190 60.477 -0.287 18441 67 1 . 1 1 15 15 PHE CB C 15 40.698 40.698 39.516 1.182 18441 68 1 . 1 1 15 15 PHE H H 15 7.664 7.664 7.724 -0.060 18441 69 1 . 1 1 16 16 LEU N N 16 116.737 116.737 116.833 -0.096 18441 70 1 . 1 1 16 16 LEU HA H 16 4.234 4.234 4.234 -0.000 18441 71 1 . 1 1 16 16 LEU CA C 16 56.420 56.420 54.777 1.643 18441 72 1 . 1 1 16 16 LEU CB C 16 45.078 45.078 42.441 2.637 18441 73 1 . 1 1 16 16 LEU H H 16 7.658 7.658 7.878 -0.220 18441 74 1 . 1 1 17 17 ILE N N 17 120.533 120.533 117.363 3.170 18441 75 1 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.351 -0.243 18441 76 1 . 1 1 17 17 ILE CA C 17 60.540 60.540 59.150 1.390 18441 77 1 . 1 1 17 17 ILE CB C 17 38.357 38.357 37.363 0.994 18441 78 1 . 1 1 17 17 ILE H H 17 8.336 8.336 7.303 1.033 18441 79 1 . 1 1 18 18 GLU N N 18 124.531 124.531 123.053 1.478 18441 80 1 . 1 1 18 18 GLU HA H 18 4.210 4.210 4.056 0.154 18441 81 1 . 1 1 18 18 GLU CA C 18 58.600 58.600 58.576 0.024 18441 82 1 . 1 1 18 18 GLU CB C 18 31.010 31.010 29.623 1.387 18441 83 1 . 1 1 18 18 GLU H H 18 8.276 8.276 8.607 -0.331 18441 84 1 . 1 1 19 19 ASN N N 19 117.630 117.630 117.813 -0.183 18441 85 1 . 1 1 19 19 ASN HA H 19 4.805 4.805 4.609 0.196 18441 86 1 . 1 1 19 19 ASN CA C 19 53.738 53.738 54.049 -0.311 18441 87 1 . 1 1 19 19 ASN CB C 19 41.178 41.178 39.257 1.921 18441 88 1 . 1 1 19 19 ASN H H 19 7.700 7.700 8.034 -0.334 18441 89 1 . 1 1 20 20 ASP N N 20 127.428 127.428 119.772 7.656 18441 90 1 . 1 1 20 20 ASP HA H 20 4.249 4.249 4.531 -0.282 18441 91 1 . 1 1 20 20 ASP CA C 20 58.850 58.850 56.656 2.194 18441 92 1 . 1 1 20 20 ASP CB C 20 41.314 41.314 40.903 0.411 18441 93 1 . 1 1 20 20 ASP H H 20 8.998 8.998 8.535 0.463 18441 94 1 . 1 1 21 21 ALA N N 21 122.271 122.271 122.958 -0.687 18441 95 1 . 1 1 21 21 ALA HA H 21 4.260 4.260 4.081 0.179 18441 96 1 . 1 1 21 21 ALA CA C 21 56.000 56.000 55.316 0.684 18441 97 1 . 1 1 21 21 ALA CB C 21 18.650 18.650 18.274 0.376 18441 98 1 . 1 1 21 21 ALA H H 21 8.346 8.346 8.051 0.295 18441 99 1 . 1 1 22 22 GLU N N 22 118.716 118.716 118.151 0.565 18441 100 1 . 1 1 22 22 GLU HA H 22 4.114 4.114 3.985 0.129 18441 101 1 . 1 1 22 22 GLU CA C 22 60.360 60.360 59.932 0.428 18441 102 1 . 1 1 22 22 GLU CB C 22 31.772 31.772 29.033 2.739 18441 103 1 . 1 1 22 22 GLU H H 22 7.724 7.724 8.836 -1.112 18441 104 1 . 1 1 23 23 LYS N N 23 121.088 121.088 117.742 3.346 18441 105 1 . 1 1 23 23 LYS HA H 23 3.811 3.811 3.782 0.029 18441 106 1 . 1 1 23 23 LYS CA C 23 61.670 61.670 59.036 2.634 18441 107 1 . 1 1 23 23 LYS CB C 23 33.070 33.070 31.891 1.179 18441 108 1 . 1 1 23 23 LYS H H 23 7.618 7.618 7.854 -0.236 18441 109 1 . 1 1 24 24 ASP N N 24 119.010 119.010 120.658 -1.648 18441 110 1 . 1 1 24 24 ASP HA H 24 4.489 4.489 4.496 -0.007 18441 111 1 . 1 1 24 24 ASP CA C 24 58.510 58.510 57.388 1.122 18441 112 1 . 1 1 24 24 ASP CB C 24 40.837 40.837 40.687 0.150 18441 113 1 . 1 1 24 24 ASP H H 24 8.424 8.424 7.741 0.683 18441 114 1 . 1 1 25 25 TYR N N 25 120.417 120.417 120.596 -0.179 18441 115 1 . 1 1 25 25 TYR HA H 25 4.243 4.243 4.188 0.055 18441 116 1 . 1 1 25 25 TYR CA C 25 62.190 62.190 61.492 0.698 18441 117 1 . 1 1 25 25 TYR CB C 25 38.499 38.499 38.538 -0.039 18441 118 1 . 1 1 25 25 TYR H H 25 7.676 7.676 8.233 -0.557 18441 119 1 . 1 1 26 26 LEU N N 26 120.960 120.960 120.030 0.930 18441 120 1 . 1 1 26 26 LEU HA H 26 3.601 3.601 3.867 -0.266 18441 121 1 . 1 1 26 26 LEU CA C 26 59.440 59.440 58.595 0.845 18441 122 1 . 1 1 26 26 LEU CB C 26 42.151 42.151 41.621 0.530 18441 123 1 . 1 1 26 26 LEU H H 26 7.965 7.965 7.853 0.112 18441 124 1 . 1 1 27 27 TYR N N 27 116.521 116.521 118.000 -1.479 18441 125 1 . 1 1 27 27 TYR HA H 27 3.776 3.776 4.103 -0.327 18441 126 1 . 1 1 27 27 TYR CA C 27 64.410 64.410 59.532 4.878 18441 127 1 . 1 1 27 27 TYR CB C 27 38.403 38.403 37.103 1.300 18441 128 1 . 1 1 27 27 TYR H H 27 8.097 8.097 8.009 0.088 18441 129 1 . 1 1 28 28 ASP N N 28 123.384 123.384 119.722 3.662 18441 130 1 . 1 1 28 28 ASP HA H 28 4.476 4.476 4.433 0.043 18441 131 1 . 1 1 28 28 ASP CA C 28 58.540 58.540 57.728 0.812 18441 132 1 . 1 1 28 28 ASP CB C 28 41.394 41.394 40.626 0.768 18441 133 1 . 1 1 28 28 ASP H H 28 8.355 8.355 7.888 0.467 18441 134 1 . 1 1 29 29 VAL N N 29 121.272 121.272 120.277 0.995 18441 135 1 . 1 1 29 29 VAL HA H 29 3.713 3.713 3.654 0.059 18441 136 1 . 1 1 29 29 VAL CA C 29 66.650 66.650 66.716 -0.066 18441 137 1 . 1 1 29 29 VAL CB C 29 31.918 31.918 31.698 0.220 18441 138 1 . 1 1 29 29 VAL H H 29 8.252 8.252 7.894 0.358 18441 139 1 . 1 1 30 30 LEU N N 30 122.443 122.443 119.939 2.505 18441 140 1 . 1 1 30 30 LEU HA H 30 4.043 4.043 4.070 -0.027 18441 141 1 . 1 1 30 30 LEU CA C 30 58.880 58.880 58.355 0.525 18441 142 1 . 1 1 30 30 LEU CB C 30 42.281 42.281 41.565 0.716 18441 143 1 . 1 1 30 30 LEU H H 30 7.987 7.987 8.177 -0.190 18441 144 1 . 1 1 31 31 ARG N N 31 122.386 122.386 118.681 3.705 18441 145 1 . 1 1 31 31 ARG HA H 31 4.016 4.016 4.028 -0.012 18441 146 1 . 1 1 31 31 ARG CA C 31 60.380 60.380 59.549 0.831 18441 147 1 . 1 1 31 31 ARG CB C 31 30.400 30.400 30.150 0.250 18441 148 1 . 1 1 31 31 ARG H H 31 8.637 8.637 8.238 0.399 18441 149 1 . 1 1 32 32 MET N N 32 120.006 120.006 119.329 0.677 18441 150 1 . 1 1 32 32 MET HA H 32 4.359 4.359 4.226 0.133 18441 151 1 . 1 1 32 32 MET CA C 32 58.490 58.490 58.717 -0.227 18441 152 1 . 1 1 32 32 MET CB C 32 31.677 31.677 32.159 -0.482 18441 153 1 . 1 1 32 32 MET H H 32 8.327 8.327 8.095 0.232 18441 154 1 . 1 1 33 33 TYR N N 33 123.220 123.220 120.663 2.557 18441 155 1 . 1 1 33 33 TYR HA H 33 4.724 4.724 4.213 0.511 18441 156 1 . 1 1 33 33 TYR CA C 33 61.000 61.000 60.671 0.329 18441 157 1 . 1 1 33 33 TYR CB C 33 39.687 39.687 37.883 1.804 18441 158 1 . 1 1 33 33 TYR H H 33 8.054 8.054 8.313 -0.259 18441 159 1 . 1 1 34 34 HIS N N 34 120.860 120.860 117.815 3.045 18441 160 1 . 1 1 34 34 HIS HA H 34 3.776 3.776 4.195 -0.419 18441 161 1 . 1 1 34 34 HIS CA C 34 60.710 60.710 59.396 1.314 18441 162 1 . 1 1 34 34 HIS CB C 34 31.392 31.392 30.339 1.053 18441 163 1 . 1 1 34 34 HIS H H 34 8.548 8.548 7.976 0.572 18441 164 1 . 1 1 35 35 GLN N N 35 113.582 113.582 118.569 -4.987 18441 165 1 . 1 1 35 35 GLN HA H 35 4.000 4.000 4.237 -0.237 18441 166 1 . 1 1 35 35 GLN CA C 35 58.680 58.680 58.400 0.280 18441 167 1 . 1 1 35 35 GLN CB C 35 30.550 30.550 29.499 1.051 18441 168 1 . 1 1 35 35 GLN H H 35 7.542 7.542 8.391 -0.850 18441 169 1 . 1 1 36 36 THR N N 36 111.117 111.117 110.574 0.543 18441 170 1 . 1 1 36 36 THR HA H 36 4.214 4.214 4.260 -0.046 18441 171 1 . 1 1 36 36 THR CA C 36 63.980 63.980 62.916 1.064 18441 172 1 . 1 1 36 36 THR CB C 36 71.670 71.670 69.814 1.856 18441 173 1 . 1 1 36 36 THR H H 36 8.569 8.569 8.358 0.210 18441 174 1 . 1 1 37 37 MET N N 37 120.444 120.444 117.933 2.511 18441 175 1 . 1 1 37 37 MET HA H 37 3.740 3.740 4.200 -0.460 18441 176 1 . 1 1 37 37 MET CA C 37 56.430 56.430 56.316 0.114 18441 177 1 . 1 1 37 37 MET CB C 37 31.399 31.399 30.574 0.825 18441 178 1 . 1 1 37 37 MET H H 37 9.542 9.542 7.717 1.825 18441 179 1 . 1 1 38 38 ASP N N 38 117.020 117.020 120.511 -3.490 18441 180 1 . 1 1 38 38 ASP HA H 38 4.944 4.944 4.853 0.091 18441 181 1 . 1 1 38 38 ASP CA C 38 53.476 53.476 53.331 0.145 18441 182 1 . 1 1 38 38 ASP CB C 38 42.040 42.040 42.479 -0.439 18441 183 1 . 1 1 38 38 ASP H H 38 7.456 7.456 7.809 -0.353 18441 184 1 . 1 1 39 39 VAL N N 39 128.507 128.507 124.778 3.729 18441 185 1 . 1 1 39 39 VAL HA H 39 3.831 3.831 3.661 0.170 18441 186 1 . 1 1 39 39 VAL CA C 39 64.840 64.840 64.311 0.529 18441 187 1 . 1 1 39 39 VAL CB C 39 32.700 32.700 31.507 1.193 18441 188 1 . 1 1 39 39 VAL H H 39 8.425 8.425 8.687 -0.262 18441 189 1 . 1 1 40 40 ALA N N 40 125.621 125.621 122.554 3.067 18441 190 1 . 1 1 40 40 ALA HA H 40 3.987 3.987 4.104 -0.117 18441 191 1 . 1 1 40 40 ALA CA C 40 55.860 55.860 55.127 0.733 18441 192 1 . 1 1 40 40 ALA CB C 40 18.470 18.470 18.297 0.173 18441 193 1 . 1 1 40 40 ALA H H 40 7.998 7.998 8.051 -0.053 18441 194 1 . 1 1 41 41 VAL N N 41 122.132 122.132 118.777 3.355 18441 195 1 . 1 1 41 41 VAL HA H 41 3.571 3.571 3.754 -0.183 18441 196 1 . 1 1 41 41 VAL CA C 41 66.680 66.680 65.763 0.917 18441 197 1 . 1 1 41 41 VAL CB C 41 32.702 32.702 31.543 1.159 18441 198 1 . 1 1 41 41 VAL H H 41 7.663 7.663 7.671 -0.008 18441 199 1 . 1 1 42 42 LEU N N 42 120.190 120.190 119.768 0.422 18441 200 1 . 1 1 42 42 LEU HA H 42 4.260 4.260 4.057 0.203 18441 201 1 . 1 1 42 42 LEU CA C 42 58.990 58.990 58.347 0.643 18441 202 1 . 1 1 42 42 LEU CB C 42 40.705 40.705 41.316 -0.611 18441 203 1 . 1 1 42 42 LEU H H 42 7.361 7.361 7.372 -0.011 18441 204 1 . 1 1 43 43 VAL N N 43 116.802 116.802 119.010 -2.208 18441 205 1 . 1 1 43 43 VAL HA H 43 3.417 3.417 3.649 -0.232 18441 206 1 . 1 1 43 43 VAL CA C 43 68.780 68.780 66.341 2.439 18441 207 1 . 1 1 43 43 VAL CB C 43 31.980 31.980 30.784 1.196 18441 208 1 . 1 1 43 43 VAL H H 43 8.062 8.062 7.747 0.315 18441 209 1 . 1 1 44 44 GLY N N 44 106.242 106.242 107.930 -1.688 18441 210 1 . 1 1 44 44 GLY CA C 44 48.316 48.316 47.324 0.993 18441 211 1 . 1 1 44 44 GLY H H 44 7.901 7.901 7.907 -0.006 18441 212 1 . 1 1 45 45 ASP N N 45 123.359 123.359 123.446 -0.087 18441 213 1 . 1 1 45 45 ASP HA H 45 4.665 4.665 4.497 0.168 18441 214 1 . 1 1 45 45 ASP CA C 45 57.760 57.760 57.511 0.249 18441 215 1 . 1 1 45 45 ASP CB C 45 40.868 40.868 40.570 0.298 18441 216 1 . 1 1 45 45 ASP H H 45 8.680 8.680 7.820 0.860 18441 217 1 . 1 1 46 46 LEU N N 46 123.201 123.201 120.447 2.754 18441 218 1 . 1 1 46 46 LEU HA H 46 4.066 4.066 3.795 0.271 18441 219 1 . 1 1 46 46 LEU CA C 46 58.120 58.120 58.040 0.080 18441 220 1 . 1 1 46 46 LEU CB C 46 42.999 42.999 41.772 1.227 18441 221 1 . 1 1 46 46 LEU H H 46 9.018 9.018 8.474 0.544 18441 222 1 . 1 1 47 47 LYS N N 47 119.196 119.196 118.860 0.336 18441 223 1 . 1 1 47 47 LYS HA H 47 3.970 3.970 4.016 -0.046 18441 224 1 . 1 1 47 47 LYS CA C 47 60.290 60.290 59.613 0.677 18441 225 1 . 1 1 47 47 LYS CB C 47 33.141 33.141 32.177 0.964 18441 226 1 . 1 1 47 47 LYS H H 47 8.017 8.017 7.682 0.335 18441 227 1 . 1 1 48 48 LEU N N 48 116.358 116.358 119.652 -3.294 18441 228 1 . 1 1 48 48 LEU HA H 48 4.161 4.161 4.014 0.147 18441 229 1 . 1 1 48 48 LEU CA C 48 57.670 57.670 57.781 -0.111 18441 230 1 . 1 1 48 48 LEU CB C 48 42.160 42.160 42.260 -0.100 18441 231 1 . 1 1 48 48 LEU H H 48 7.143 7.143 7.574 -0.431 18441 232 1 . 1 1 49 49 VAL N N 49 112.662 112.662 114.876 -2.214 18441 233 1 . 1 1 49 49 VAL HA H 49 4.473 4.473 4.035 0.438 18441 234 1 . 1 1 49 49 VAL CA C 49 62.060 62.060 62.503 -0.443 18441 235 1 . 1 1 49 49 VAL CB C 49 35.166 35.166 32.635 2.531 18441 236 1 . 1 1 49 49 VAL H H 49 7.266 7.266 7.508 -0.242 18441 237 1 . 1 1 50 50 ILE N N 50 124.631 124.631 118.358 6.273 18441 238 1 . 1 1 50 50 ILE HA H 50 3.845 3.845 4.308 -0.463 18441 239 1 . 1 1 50 50 ILE CA C 50 61.590 61.590 60.583 1.007 18441 240 1 . 1 1 50 50 ILE CB C 50 35.161 35.161 38.621 -3.460 18441 241 1 . 1 1 50 50 ILE H H 50 8.475 8.475 7.614 0.861 18441 242 1 . 1 1 51 51 ASN N N 51 119.027 119.027 119.125 -0.098 18441 243 1 . 1 1 51 51 ASN HA H 51 4.707 4.707 4.588 0.119 18441 244 1 . 1 1 51 51 ASN CA C 51 53.448 53.448 53.491 -0.043 18441 245 1 . 1 1 51 51 ASN CB C 51 38.961 38.961 38.309 0.652 18441 246 1 . 1 1 51 51 ASN H H 51 7.347 7.347 8.075 -0.728 18441 247 1 . 1 1 52 52 GLU N N 52 115.889 115.889 118.209 -2.320 18441 248 1 . 1 1 52 52 GLU HA H 52 4.888 4.888 4.759 0.129 18441 249 1 . 1 1 52 52 GLU CA C 52 54.785 54.785 52.947 1.838 18441 250 1 . 1 1 52 52 GLU CB C 52 31.020 31.020 30.994 0.026 18441 251 1 . 1 1 52 52 GLU H H 52 7.438 7.438 7.522 -0.084 18441 252 1 . 1 1 53 53 PRO HA H 53 4.210 4.210 4.210 0.000 18441 253 1 . 1 1 53 53 PRO CA C 53 66.960 66.960 65.565 1.395 18441 254 1 . 1 1 53 53 PRO CB C 53 32.948 32.948 31.888 1.060 18441 255 1 . 1 1 54 54 SER N N 54 113.711 113.711 111.591 2.120 18441 256 1 . 1 1 54 54 SER HA H 54 4.173 4.173 4.329 -0.156 18441 257 1 . 1 1 54 54 SER CA C 54 61.650 61.650 60.450 1.200 18441 258 1 . 1 1 54 54 SER CB C 54 62.930 62.930 63.315 -0.385 18441 259 1 . 1 1 54 54 SER H H 54 8.946 8.946 8.222 0.724 18441 260 1 . 1 1 55 55 ARG N N 55 116.455 116.455 119.439 -2.984 18441 261 1 . 1 1 55 55 ARG HA H 55 4.404 4.404 4.371 0.033 18441 262 1 . 1 1 55 55 ARG CA C 55 57.310 57.310 56.910 0.400 18441 263 1 . 1 1 55 55 ARG CB C 55 33.612 33.612 30.422 3.190 18441 264 1 . 1 1 55 55 ARG H H 55 7.759 7.759 7.668 0.091 18441 265 1 . 1 1 56 56 LEU N N 56 121.468 121.468 123.230 -1.762 18441 266 1 . 1 1 56 56 LEU HA H 56 4.135 4.135 4.250 -0.115 18441 267 1 . 1 1 56 56 LEU CA C 56 59.900 59.900 59.995 -0.095 18441 268 1 . 1 1 56 56 LEU CB C 56 40.997 40.997 39.456 1.541 18441 269 1 . 1 1 56 56 LEU H H 56 7.472 7.472 8.405 -0.933 18441 270 1 . 1 1 57 57 PRO HA H 57 4.696 4.696 4.211 0.485 18441 271 1 . 1 1 57 57 PRO CA C 57 66.180 66.180 66.165 0.015 18441 272 1 . 1 1 57 57 PRO CB C 57 32.390 32.390 31.119 1.270 18441 273 1 . 1 1 58 58 LEU N N 58 119.923 119.923 117.725 2.198 18441 274 1 . 1 1 58 58 LEU HA H 58 4.050 4.050 4.126 -0.076 18441 275 1 . 1 1 58 58 LEU CA C 58 58.320 58.320 57.620 0.700 18441 276 1 . 1 1 58 58 LEU CB C 58 42.028 42.028 41.541 0.487 18441 277 1 . 1 1 58 58 LEU H H 58 8.734 8.734 7.624 1.110 18441 278 1 . 1 1 59 59 PHE N N 59 116.632 116.632 120.655 -4.023 18441 279 1 . 1 1 59 59 PHE HA H 59 4.479 4.479 4.279 0.200 18441 280 1 . 1 1 59 59 PHE CA C 59 63.080 63.080 61.172 1.908 18441 281 1 . 1 1 59 59 PHE CB C 59 38.852 38.852 38.975 -0.123 18441 282 1 . 1 1 59 59 PHE H H 59 8.312 8.312 8.710 -0.398 18441 283 1 . 1 1 60 60 ASP N N 60 120.603 120.603 118.516 2.087 18441 284 1 . 1 1 60 60 ASP HA H 60 4.671 4.671 4.450 0.221 18441 285 1 . 1 1 60 60 ASP CA C 60 57.870 57.870 56.680 1.190 18441 286 1 . 1 1 60 60 ASP CB C 60 41.541 41.541 40.844 0.697 18441 287 1 . 1 1 60 60 ASP H H 60 7.462 7.462 7.845 -0.383 18441 288 1 . 1 1 61 61 ALA N N 61 122.470 122.470 122.493 -0.023 18441 289 1 . 1 1 61 61 ALA HA H 61 4.261 4.261 3.971 0.290 18441 290 1 . 1 1 61 61 ALA CA C 61 54.546 54.546 54.457 0.089 18441 291 1 . 1 1 61 61 ALA CB C 61 18.880 18.880 18.697 0.183 18441 292 1 . 1 1 61 61 ALA H H 61 7.664 7.664 7.622 0.041 18441 293 1 . 1 1 62 62 ILE N N 62 115.525 115.525 118.010 -2.485 18441 294 1 . 1 1 62 62 ILE HA H 62 3.682 3.682 3.003 0.679 18441 295 1 . 1 1 62 62 ILE CA C 62 63.420 63.420 63.346 0.074 18441 296 1 . 1 1 62 62 ILE CB C 62 40.155 40.155 37.951 2.204 18441 297 1 . 1 1 62 62 ILE H H 62 7.653 7.653 7.586 0.067 18441 298 1 . 1 1 63 63 ARG N N 63 121.016 121.016 120.386 0.630 18441 299 1 . 1 1 63 63 ARG HA H 63 3.474 3.474 3.537 -0.063 18441 300 1 . 1 1 63 63 ARG CA C 63 62.370 62.370 61.466 0.904 18441 301 1 . 1 1 63 63 ARG H H 63 6.917 6.917 7.351 -0.434 18441 302 1 . 1 1 64 64 PRO HA H 64 4.311 4.311 4.133 0.178 18441 303 1 . 1 1 64 64 PRO CA C 64 65.740 65.740 65.465 0.275 18441 304 1 . 1 1 64 64 PRO CB C 64 32.187 32.187 31.042 1.145 18441 305 1 . 1 1 65 65 LEU N N 65 114.713 114.713 115.750 -1.037 18441 306 1 . 1 1 65 65 LEU HA H 65 3.920 3.920 4.052 -0.132 18441 307 1 . 1 1 65 65 LEU CA C 65 55.660 55.660 56.067 -0.407 18441 308 1 . 1 1 65 65 LEU CB C 65 42.108 42.108 41.818 0.290 18441 309 1 . 1 1 65 65 LEU H H 65 8.074 8.074 7.469 0.605 18441 310 1 . 1 1 66 66 ILE N N 66 120.129 120.129 118.768 1.361 18441 311 1 . 1 1 66 66 ILE HA H 66 4.305 4.305 4.032 0.273 18441 312 1 . 1 1 66 66 ILE CA C 66 56.760 56.760 61.535 -4.775 18441 313 1 . 1 1 66 66 ILE CB C 66 36.644 36.644 37.429 -0.785 18441 314 1 . 1 1 66 66 ILE H H 66 7.398 7.398 7.454 -0.056 18441 315 1 . 1 1 67 67 PRO HA H 67 4.305 4.305 4.336 -0.031 18441 316 1 . 1 1 67 67 PRO CA C 67 63.640 63.640 62.634 1.006 18441 317 1 . 1 1 67 67 PRO CB C 67 33.289 33.289 32.376 0.913 18441 318 1 . 1 1 68 68 LEU N N 68 124.673 124.673 122.867 1.806 18441 319 1 . 1 1 68 68 LEU HA H 68 3.850 3.850 3.960 -0.110 18441 320 1 . 1 1 68 68 LEU CA C 68 59.620 59.620 59.339 0.281 18441 321 1 . 1 1 68 68 LEU CB C 68 42.467 42.467 41.725 0.742 18441 322 1 . 1 1 68 68 LEU H H 68 8.471 8.471 8.370 0.101 18441 323 1 . 1 1 69 69 LYS N N 69 115.247 115.247 118.357 -3.110 18441 324 1 . 1 1 69 69 LYS HA H 69 4.169 4.169 4.040 0.129 18441 325 1 . 1 1 69 69 LYS CA C 69 59.020 59.020 59.311 -0.291 18441 326 1 . 1 1 69 69 LYS CB C 69 32.506 32.506 31.633 0.873 18441 327 1 . 1 1 69 69 LYS H H 69 8.536 8.536 8.484 0.052 18441 328 1 . 1 1 70 70 HIS N N 70 118.849 118.849 117.683 1.166 18441 329 1 . 1 1 70 70 HIS HA H 70 5.225 5.225 4.385 0.840 18441 330 1 . 1 1 70 70 HIS CA C 70 54.889 54.889 58.407 -3.518 18441 331 1 . 1 1 70 70 HIS CB C 70 35.038 35.038 29.613 5.425 18441 332 1 . 1 1 70 70 HIS H H 70 8.060 8.060 8.388 -0.328 18441 333 1 . 1 1 71 71 GLN N N 71 122.130 122.130 119.584 2.546 18441 334 1 . 1 1 71 71 GLN HA H 71 3.699 3.699 4.050 -0.351 18441 335 1 . 1 1 71 71 GLN CA C 71 61.690 61.690 59.432 2.258 18441 336 1 . 1 1 71 71 GLN CB C 71 29.250 29.250 28.676 0.574 18441 337 1 . 1 1 71 71 GLN H H 71 7.732 7.732 8.461 -0.729 18441 338 1 . 1 1 72 72 VAL N N 72 119.182 119.182 119.897 -0.715 18441 339 1 . 1 1 72 72 VAL HA H 72 3.808 3.808 3.679 0.129 18441 340 1 . 1 1 72 72 VAL CA C 72 67.220 67.220 66.519 0.701 18441 341 1 . 1 1 72 72 VAL CB C 72 31.814 31.814 31.452 0.362 18441 342 1 . 1 1 72 72 VAL H H 72 8.203 8.203 7.822 0.381 18441 343 1 . 1 1 73 73 GLU N N 73 121.878 121.878 120.027 1.851 18441 344 1 . 1 1 73 73 GLU HA H 73 3.978 3.978 4.075 -0.097 18441 345 1 . 1 1 73 73 GLU CA C 73 60.100 60.100 59.273 0.827 18441 346 1 . 1 1 73 73 GLU CB C 73 30.660 30.660 29.609 1.051 18441 347 1 . 1 1 73 73 GLU H H 73 8.136 8.136 7.867 0.269 18441 348 1 . 1 1 74 74 TYR N N 74 119.780 119.780 120.919 -1.139 18441 349 1 . 1 1 74 74 TYR HA H 74 3.677 3.677 4.125 -0.448 18441 350 1 . 1 1 74 74 TYR CA C 74 63.310 63.310 61.618 1.692 18441 351 1 . 1 1 74 74 TYR CB C 74 40.020 40.020 38.426 1.594 18441 352 1 . 1 1 74 74 TYR H H 74 8.491 8.491 8.447 0.044 18441 353 1 . 1 1 75 75 ASP N N 75 120.231 120.231 118.720 1.511 18441 354 1 . 1 1 75 75 ASP HA H 75 4.143 4.143 4.422 -0.279 18441 355 1 . 1 1 75 75 ASP CA C 75 57.560 57.560 57.231 0.329 18441 356 1 . 1 1 75 75 ASP CB C 75 40.578 40.578 40.696 -0.118 18441 357 1 . 1 1 75 75 ASP H H 75 8.566 8.566 8.164 0.402 18441 358 1 . 1 1 76 76 GLN N N 76 118.324 118.324 117.939 0.385 18441 359 1 . 1 1 76 76 GLN HA H 76 4.056 4.056 4.074 -0.018 18441 360 1 . 1 1 76 76 GLN CA C 76 58.430 58.430 58.340 0.090 18441 361 1 . 1 1 76 76 GLN CB C 76 29.430 29.430 29.008 0.422 18441 362 1 . 1 1 76 76 GLN H H 76 7.844 7.844 7.767 0.077 18441 363 1 . 1 1 77 77 LEU N N 77 117.932 117.932 117.083 0.849 18441 364 1 . 1 1 77 77 LEU HA H 77 4.197 4.197 4.232 -0.035 18441 365 1 . 1 1 77 77 LEU CA C 77 55.910 55.910 56.046 -0.136 18441 366 1 . 1 1 77 77 LEU CB C 77 45.404 45.404 42.521 2.883 18441 367 1 . 1 1 77 77 LEU H H 77 7.665 7.665 7.558 0.107 18441 368 1 . 1 1 78 78 THR N N 78 110.323 110.323 112.098 -1.775 18441 369 1 . 1 1 78 78 THR HA H 78 3.709 3.709 4.272 -0.563 18441 370 1 . 1 1 78 78 THR CA C 78 59.750 59.750 61.841 -2.091 18441 371 1 . 1 1 78 78 THR CB C 78 69.110 69.110 68.683 0.427 18441 372 1 . 1 1 78 78 THR H H 78 7.130 7.130 7.609 -0.479 18441 373 1 . 1 1 79 79 PRO HA H 79 4.246 4.246 4.419 -0.173 18441 374 1 . 1 1 79 79 PRO CA C 79 63.680 63.680 63.125 0.555 18441 375 1 . 1 1 79 79 PRO CB C 79 32.391 32.391 32.011 0.380 18441 stop_ save_