data_18531 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18531 _Entry.PDB_ID 2LUM 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 18531 _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 GLN HA H 2 5.050 5.050 4.902 0.148 18531 2 1 1 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.887 0.713 18531 3 1 1 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.490 0.210 18531 4 1 1 . 1 1 2 2 GLN H H 2 8.410 8.410 8.212 0.198 18531 5 1 1 . 1 1 3 3 TYR N N 3 124.000 124.000 123.225 0.775 18531 6 1 1 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.092 0.268 18531 7 1 1 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.653 0.447 18531 8 1 1 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.320 2.280 18531 9 1 1 . 1 1 3 3 TYR H H 3 9.070 9.070 8.923 0.147 18531 10 1 1 . 1 1 4 4 LYS N N 4 122.500 122.500 119.328 3.172 18531 11 1 1 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.474 -0.254 18531 12 1 1 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.559 0.441 18531 13 1 1 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.116 -1.116 18531 14 1 1 . 1 1 4 4 LYS H H 4 9.100 9.100 8.805 0.295 18531 15 1 1 . 1 1 5 5 LEU N N 5 126.400 126.400 125.134 1.266 18531 16 1 1 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.164 -0.194 18531 17 1 1 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.331 -1.531 18531 18 1 1 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.258 -2.658 18531 19 1 1 . 1 1 5 5 LEU H H 5 8.620 8.620 8.855 -0.235 18531 20 1 1 . 1 1 6 6 VAL N N 6 127.000 127.000 126.565 0.435 18531 21 1 1 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.672 -0.512 18531 22 1 1 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.298 1.002 18531 23 1 1 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.178 -1.478 18531 24 1 1 . 1 1 6 6 VAL H H 6 9.190 9.190 9.275 -0.085 18531 25 1 1 . 1 1 7 7 ILE N N 7 125.400 125.400 125.696 -0.296 18531 26 1 1 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.287 -0.197 18531 27 1 1 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.664 0.036 18531 28 1 1 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.060 0.940 18531 29 1 1 . 1 1 7 7 ILE H H 7 8.800 8.800 9.126 -0.326 18531 30 1 1 . 1 1 8 8 ASN N N 8 128.900 128.900 126.074 2.826 18531 31 1 1 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.890 0.390 18531 32 1 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.292 -1.492 18531 33 1 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.705 -0.605 18531 34 1 1 . 1 1 8 8 ASN H H 8 8.990 8.990 8.032 0.958 18531 35 1 1 . 1 1 9 9 GLY N N 9 110.200 110.200 108.081 2.119 18531 36 1 1 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.948 -0.248 18531 37 1 1 . 1 1 9 9 GLY H H 9 7.920 7.920 7.524 0.396 18531 38 1 1 . 1 1 10 10 LYS N N 10 120.700 120.700 119.047 1.653 18531 39 1 1 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.286 -0.226 18531 40 1 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.444 0.756 18531 41 1 1 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.181 -0.280 18531 42 1 1 . 1 1 10 10 LYS H H 10 9.520 9.520 8.529 0.991 18531 43 1 1 . 1 1 11 11 THR N N 11 108.900 108.900 110.907 -2.007 18531 44 1 1 . 1 1 11 11 THR HA H 11 4.360 4.360 4.303 0.057 18531 45 1 1 . 1 1 11 11 THR CA C 11 62.000 62.000 62.178 -0.178 18531 46 1 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.260 0.540 18531 47 1 1 . 1 1 11 11 THR H H 11 8.790 8.790 8.025 0.765 18531 48 1 1 . 1 1 12 12 LEU N N 12 125.700 125.700 124.726 0.974 18531 49 1 1 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.353 0.087 18531 50 1 1 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.178 -0.178 18531 51 1 1 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.464 0.836 18531 52 1 1 . 1 1 12 12 LEU H H 12 7.580 7.580 7.931 -0.351 18531 53 1 1 . 1 1 13 13 LYS N N 13 123.500 123.500 123.834 -0.334 18531 54 1 1 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.481 -0.361 18531 55 1 1 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.710 -0.810 18531 56 1 1 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.994 -1.194 18531 57 1 1 . 1 1 13 13 LYS H H 13 8.140 8.140 8.240 -0.100 18531 58 1 1 . 1 1 14 14 GLY N N 14 109.100 109.100 109.793 -0.693 18531 59 1 1 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.528 -0.328 18531 60 1 1 . 1 1 14 14 GLY H H 14 8.340 8.340 8.060 0.280 18531 61 1 1 . 1 1 15 15 GLU N N 15 118.200 118.200 118.729 -0.529 18531 62 1 1 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.590 0.010 18531 63 1 1 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.803 -0.303 18531 64 1 1 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.810 -0.010 18531 65 1 1 . 1 1 15 15 GLU H H 15 8.390 8.390 8.501 -0.111 18531 66 1 1 . 1 1 16 16 THR N N 16 115.600 115.600 114.148 1.452 18531 67 1 1 . 1 1 16 16 THR HA H 16 4.730 4.730 4.663 0.067 18531 68 1 1 . 1 1 16 16 THR CA C 16 60.600 60.600 60.778 -0.178 18531 69 1 1 . 1 1 16 16 THR CB C 16 69.500 69.500 70.865 -1.365 18531 70 1 1 . 1 1 16 16 THR H H 16 8.820 8.820 8.622 0.198 18531 71 1 1 . 1 1 17 17 THR N N 17 111.800 111.800 113.192 -1.392 18531 72 1 1 . 1 1 17 17 THR HA H 17 5.790 5.790 5.309 0.481 18531 73 1 1 . 1 1 17 17 THR CA C 17 59.800 59.800 60.139 -0.339 18531 74 1 1 . 1 1 17 17 THR CB C 17 73.100 73.100 72.141 0.959 18531 75 1 1 . 1 1 17 17 THR H H 17 8.140 8.140 8.168 -0.028 18531 76 1 1 . 1 1 18 18 THR N N 18 115.100 115.100 114.894 0.206 18531 77 1 1 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531 78 1 1 . 1 1 18 18 THR CA C 18 61.900 61.900 61.653 0.247 18531 79 1 1 . 1 1 18 18 THR CB C 18 70.000 70.000 70.394 -0.394 18531 80 1 1 . 1 1 18 18 THR H H 18 8.930 8.930 8.474 0.456 18531 81 1 1 . 1 1 19 19 LYS N N 19 124.300 124.300 127.712 -3.412 18531 82 1 1 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.218 0.112 18531 83 1 1 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.894 0.106 18531 84 1 1 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.083 0.717 18531 85 1 1 . 1 1 19 19 LYS H H 19 7.950 7.950 8.396 -0.446 18531 86 1 1 . 1 1 20 20 ALA N N 20 124.600 124.600 128.482 -3.882 18531 87 1 1 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.508 0.272 18531 88 1 1 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.415 -0.515 18531 89 1 1 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.363 3.437 18531 90 1 1 . 1 1 20 20 ALA H H 20 9.110 9.110 8.379 0.731 18531 91 1 1 . 1 1 21 21 VAL N N 21 115.300 115.300 119.279 -3.979 18531 92 1 1 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.244 -0.134 18531 93 1 1 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.124 -0.824 18531 94 1 1 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.640 0.560 18531 95 1 1 . 1 1 21 21 VAL H H 21 8.480 8.480 8.484 -0.004 18531 96 1 1 . 1 1 22 22 ASP N N 22 115.200 115.200 117.827 -2.627 18531 97 1 1 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.717 -0.007 18531 98 1 1 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.797 -1.397 18531 99 1 1 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.552 -0.352 18531 100 1 1 . 1 1 22 22 ASP H H 22 7.310 7.310 7.516 -0.206 18531 101 1 1 . 1 1 23 23 ALA N N 23 121.000 121.000 126.659 -5.659 18531 102 1 1 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.782 -0.442 18531 103 1 1 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.081 -0.180 18531 104 1 1 . 1 1 23 23 ALA CB C 23 17.500 17.500 19.005 -1.505 18531 105 1 1 . 1 1 23 23 ALA H H 23 8.370 8.370 8.775 -0.405 18531 106 1 1 . 1 1 24 24 GLU N N 24 118.900 118.900 118.148 0.752 18531 107 1 1 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.986 -0.126 18531 108 1 1 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.405 0.295 18531 109 1 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.024 0.076 18531 110 1 1 . 1 1 24 24 GLU H H 24 8.410 8.410 8.768 -0.358 18531 111 1 1 . 1 1 25 25 THR N N 25 117.400 117.400 113.848 3.552 18531 112 1 1 . 1 1 25 25 THR HA H 25 3.670 3.670 3.995 -0.325 18531 113 1 1 . 1 1 25 25 THR CA C 25 66.800 66.800 64.687 2.113 18531 114 1 1 . 1 1 25 25 THR CB C 25 68.000 68.000 68.433 -0.433 18531 115 1 1 . 1 1 25 25 THR H H 25 8.380 8.380 7.963 0.417 18531 116 1 1 . 1 1 26 26 ALA N N 26 125.100 125.100 123.046 2.054 18531 117 1 1 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.713 -0.523 18531 118 1 1 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.504 0.496 18531 119 1 1 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.737 -0.437 18531 120 1 1 . 1 1 26 26 ALA H H 26 7.220 7.220 7.720 -0.500 18531 121 1 1 . 1 1 27 27 GLU N N 27 117.400 117.400 118.549 -1.149 18531 122 1 1 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.821 -1.231 18531 123 1 1 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.012 0.688 18531 124 1 1 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.346 -0.146 18531 125 1 1 . 1 1 27 27 GLU H H 27 8.370 8.370 7.613 0.757 18531 126 1 1 . 1 1 28 28 LYS N N 28 116.300 116.300 118.202 -1.902 18531 127 1 1 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.953 -0.283 18531 128 1 1 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.564 1.036 18531 129 1 1 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.221 -0.021 18531 130 1 1 . 1 1 28 28 LYS H H 28 7.170 7.170 7.262 -0.092 18531 131 1 1 . 1 1 29 29 ALA N N 29 122.000 122.000 120.636 1.364 18531 132 1 1 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.134 -0.044 18531 133 1 1 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.147 0.553 18531 134 1 1 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.671 -1.171 18531 135 1 1 . 1 1 29 29 ALA H H 29 7.200 7.200 7.376 -0.176 18531 136 1 1 . 1 1 30 30 PHE N N 30 119.600 119.600 117.685 1.915 18531 137 1 1 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.203 0.577 18531 138 1 1 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.359 -2.760 18531 139 1 1 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.356 -0.956 18531 140 1 1 . 1 1 30 30 PHE H H 30 8.610 8.610 7.320 1.290 18531 141 1 1 . 1 1 31 31 LYS N N 31 122.800 122.800 116.980 5.820 18531 142 1 1 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.049 0.041 18531 143 1 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 57.350 2.350 18531 144 1 1 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.896 -0.296 18531 145 1 1 . 1 1 31 31 LYS H H 31 9.030 9.030 7.349 1.681 18531 146 1 1 . 1 1 32 32 GLN N N 32 119.600 119.600 118.313 1.287 18531 147 1 1 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.236 -0.206 18531 148 1 1 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.418 0.282 18531 149 1 1 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.560 -1.460 18531 150 1 1 . 1 1 32 32 GLN H H 32 7.510 7.510 7.368 0.142 18531 151 1 1 . 1 1 33 33 TYR N N 33 120.400 120.400 121.728 -1.328 18531 152 1 1 . 1 1 33 33 TYR HA H 33 4.250 4.250 3.979 0.271 18531 153 1 1 . 1 1 33 33 TYR CA C 33 61.800 61.800 62.056 -0.256 18531 154 1 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.453 0.247 18531 155 1 1 . 1 1 33 33 TYR H H 33 8.080 8.080 7.640 0.440 18531 156 1 1 . 1 1 34 34 ALA N N 34 122.300 122.300 119.934 2.366 18531 157 1 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.029 -0.249 18531 158 1 1 . 1 1 34 34 ALA CA C 34 56.100 56.100 56.072 0.028 18531 159 1 1 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.150 -0.450 18531 160 1 1 . 1 1 34 34 ALA H H 34 9.210 9.210 8.360 0.850 18531 161 1 1 . 1 1 35 35 ASN N N 35 117.700 117.700 116.927 0.773 18531 162 1 1 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.467 -0.007 18531 163 1 1 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.202 0.798 18531 164 1 1 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.804 1.196 18531 165 1 1 . 1 1 35 35 ASN H H 35 8.390 8.390 8.313 0.077 18531 166 1 1 . 1 1 36 36 ASP N N 36 121.100 121.100 119.663 1.437 18531 167 1 1 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.465 -0.105 18531 168 1 1 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.492 0.208 18531 169 1 1 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.656 -0.656 18531 170 1 1 . 1 1 36 36 ASP H H 36 8.830 8.830 8.683 0.147 18531 171 1 1 . 1 1 37 37 ASN N N 37 115.200 115.200 113.921 1.279 18531 172 1 1 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.760 -0.149 18531 173 1 1 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.976 0.724 18531 174 1 1 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.584 0.416 18531 175 1 1 . 1 1 37 37 ASN H H 37 7.390 7.390 7.723 -0.333 18531 176 1 1 . 1 1 38 38 GLY N N 38 108.200 108.200 108.660 -0.460 18531 177 1 1 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.566 0.834 18531 178 1 1 . 1 1 38 38 GLY H H 38 7.800 7.800 8.160 -0.360 18531 179 1 1 . 1 1 39 39 VAL N N 39 120.800 120.800 120.798 0.002 18531 180 1 1 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.021 0.119 18531 181 1 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.436 -0.736 18531 182 1 1 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.822 1.478 18531 183 1 1 . 1 1 39 39 VAL H H 39 8.120 8.120 8.110 0.010 18531 184 1 1 . 1 1 40 40 ASP N N 40 128.000 128.000 126.655 1.345 18531 185 1 1 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.913 -0.023 18531 186 1 1 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.904 -0.104 18531 187 1 1 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.071 -0.971 18531 188 1 1 . 1 1 40 40 ASP H H 40 8.770 8.770 8.371 0.399 18531 189 1 1 . 1 1 41 41 GLY N N 41 107.100 107.100 108.349 -1.249 18531 190 1 1 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.995 0.406 18531 191 1 1 . 1 1 41 41 GLY H H 41 7.910 7.910 7.984 -0.074 18531 192 1 1 . 1 1 42 42 VAL N N 42 120.300 120.300 121.979 -1.679 18531 193 1 1 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.156 0.224 18531 194 1 1 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.961 0.140 18531 195 1 1 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.980 0.421 18531 196 1 1 . 1 1 42 42 VAL H H 42 8.250 8.250 7.631 0.619 18531 197 1 1 . 1 1 43 43 TRP N N 43 130.700 130.700 129.001 1.699 18531 198 1 1 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.236 0.124 18531 199 1 1 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.295 1.305 18531 200 1 1 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.450 -0.250 18531 201 1 1 . 1 1 43 43 TRP H H 43 9.360 9.360 8.670 0.690 18531 202 1 1 . 1 1 44 44 THR N N 44 114.500 114.500 117.087 -2.587 18531 203 1 1 . 1 1 44 44 THR HA H 44 4.830 4.830 4.921 -0.091 18531 204 1 1 . 1 1 44 44 THR CA C 44 60.300 60.300 61.256 -0.956 18531 205 1 1 . 1 1 44 44 THR CB C 44 72.100 72.100 71.314 0.786 18531 206 1 1 . 1 1 44 44 THR H H 44 9.400 9.400 8.417 0.983 18531 207 1 1 . 1 1 45 45 TYR N N 45 120.100 120.100 122.372 -2.272 18531 208 1 1 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.750 0.220 18531 209 1 1 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.170 0.830 18531 210 1 1 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.878 1.722 18531 211 1 1 . 1 1 45 45 TYR H H 45 8.580 8.580 8.285 0.295 18531 212 1 1 . 1 1 46 46 ASP N N 46 128.300 128.300 122.776 5.524 18531 213 1 1 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.430 0.150 18531 214 1 1 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.808 0.092 18531 215 1 1 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.532 -0.432 18531 216 1 1 . 1 1 46 46 ASP H H 46 7.580 7.580 8.356 -0.776 18531 217 1 1 . 1 1 47 47 ASP N N 47 124.800 124.800 126.709 -1.909 18531 218 1 1 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.252 -0.142 18531 219 1 1 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.701 -0.201 18531 220 1 1 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.099 1.002 18531 221 1 1 . 1 1 47 47 ASP H H 47 8.590 8.590 8.562 0.028 18531 222 1 1 . 1 1 48 48 ALA N N 48 119.700 119.700 119.909 -0.209 18531 223 1 1 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.099 -0.009 18531 224 1 1 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.044 0.956 18531 225 1 1 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.700 -0.400 18531 226 1 1 . 1 1 48 48 ALA H H 48 8.340 8.340 7.858 0.482 18531 227 1 1 . 1 1 49 49 THR N N 49 103.200 103.200 111.420 -8.220 18531 228 1 1 . 1 1 49 49 THR HA H 49 4.390 4.390 4.492 -0.102 18531 229 1 1 . 1 1 49 49 THR CA C 49 60.200 60.200 60.337 -0.137 18531 230 1 1 . 1 1 49 49 THR CB C 49 70.000 70.000 70.226 -0.226 18531 231 1 1 . 1 1 49 49 THR H H 49 7.000 7.000 7.578 -0.578 18531 232 1 1 . 1 1 50 50 LYS N N 50 123.100 123.100 119.662 3.438 18531 233 1 1 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.907 -0.717 18531 234 1 1 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.369 1.231 18531 235 1 1 . 1 1 50 50 LYS CB C 50 28.600 28.600 32.809 -4.209 18531 236 1 1 . 1 1 50 50 LYS H H 50 7.860 7.860 8.353 -0.493 18531 237 1 1 . 1 1 51 51 THR N N 51 111.200 111.200 117.483 -6.283 18531 238 1 1 . 1 1 51 51 THR HA H 51 5.490 5.490 4.937 0.553 18531 239 1 1 . 1 1 51 51 THR CA C 51 62.300 62.300 62.208 0.092 18531 240 1 1 . 1 1 51 51 THR CB C 51 72.100 72.100 70.394 1.706 18531 241 1 1 . 1 1 51 51 THR H H 51 7.390 7.390 8.099 -0.709 18531 242 1 1 . 1 1 52 52 PHE N N 52 131.000 131.000 126.720 4.280 18531 243 1 1 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.489 0.141 18531 244 1 1 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.706 1.594 18531 245 1 1 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.494 0.106 18531 246 1 1 . 1 1 52 52 PHE H H 52 10.390 10.390 9.213 1.177 18531 247 1 1 . 1 1 53 53 THR N N 53 117.400 117.400 117.074 0.326 18531 248 1 1 . 1 1 53 53 THR HA H 53 5.270 5.270 5.159 0.111 18531 249 1 1 . 1 1 53 53 THR CA C 53 61.200 61.200 61.439 -0.239 18531 250 1 1 . 1 1 53 53 THR CB C 53 71.000 71.000 72.188 -1.188 18531 251 1 1 . 1 1 53 53 THR H H 53 9.180 9.180 8.441 0.739 18531 252 1 1 . 1 1 54 54 VAL N N 54 123.000 123.000 123.752 -0.752 18531 253 1 1 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.401 0.059 18531 254 1 1 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.667 -1.567 18531 255 1 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.749 -2.449 18531 256 1 1 . 1 1 54 54 VAL H H 54 8.280 8.280 8.047 0.233 18531 257 1 1 . 1 1 55 55 THR N N 55 123.900 123.900 123.488 0.412 18531 258 1 1 . 1 1 55 55 THR HA H 55 4.700 4.700 4.799 -0.099 18531 259 1 1 . 1 1 55 55 THR CA C 55 61.200 61.200 59.673 1.527 18531 260 1 1 . 1 1 55 55 THR CB C 55 70.700 70.700 69.837 0.863 18531 261 1 1 . 1 1 55 55 THR H H 55 8.320 8.320 8.042 0.278 18531 262 1 2 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.040 0.010 18531 263 1 2 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.235 1.365 18531 264 1 2 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.574 0.126 18531 265 1 2 . 1 1 2 2 GLN H H 2 8.410 8.410 8.041 0.369 18531 266 1 2 . 1 1 3 3 TYR N N 3 124.000 124.000 121.963 2.037 18531 267 1 2 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.156 0.204 18531 268 1 2 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.890 0.210 18531 269 1 2 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.287 2.313 18531 270 1 2 . 1 1 3 3 TYR H H 3 9.070 9.070 8.381 0.689 18531 271 1 2 . 1 1 4 4 LYS N N 4 122.500 122.500 120.412 2.088 18531 272 1 2 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.199 0.021 18531 273 1 2 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.322 0.678 18531 274 1 2 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.886 0.114 18531 275 1 2 . 1 1 4 4 LYS H H 4 9.100 9.100 9.299 -0.199 18531 276 1 2 . 1 1 5 5 LEU N N 5 126.400 126.400 126.749 -0.349 18531 277 1 2 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.680 0.290 18531 278 1 2 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.753 -0.953 18531 279 1 2 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.522 -1.922 18531 280 1 2 . 1 1 5 5 LEU H H 5 8.620 8.620 8.449 0.171 18531 281 1 2 . 1 1 6 6 VAL N N 6 127.000 127.000 128.045 -1.045 18531 282 1 2 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.325 -0.165 18531 283 1 2 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.412 0.888 18531 284 1 2 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.122 -0.422 18531 285 1 2 . 1 1 6 6 VAL H H 6 9.190 9.190 9.223 -0.033 18531 286 1 2 . 1 1 7 7 ILE N N 7 125.400 125.400 127.974 -2.574 18531 287 1 2 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.528 -0.438 18531 288 1 2 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.534 0.166 18531 289 1 2 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.872 -0.872 18531 290 1 2 . 1 1 7 7 ILE H H 7 8.800 8.800 7.846 0.954 18531 291 1 2 . 1 1 8 8 ASN N N 8 128.900 128.900 124.280 4.620 18531 292 1 2 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.998 0.282 18531 293 1 2 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.569 -1.769 18531 294 1 2 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.719 -1.619 18531 295 1 2 . 1 1 8 8 ASN H H 8 8.990 8.990 8.919 0.071 18531 296 1 2 . 1 1 9 9 GLY N N 9 110.200 110.200 107.739 2.461 18531 297 1 2 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.163 0.537 18531 298 1 2 . 1 1 9 9 GLY H H 9 7.920 7.920 7.801 0.119 18531 299 1 2 . 1 1 10 10 LYS N N 10 120.700 120.700 119.085 1.615 18531 300 1 2 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.284 -0.224 18531 301 1 2 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.155 1.045 18531 302 1 2 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.053 -0.153 18531 303 1 2 . 1 1 10 10 LYS H H 10 9.520 9.520 8.763 0.757 18531 304 1 2 . 1 1 11 11 THR N N 11 108.900 108.900 110.263 -1.363 18531 305 1 2 . 1 1 11 11 THR HA H 11 4.360 4.360 4.374 -0.014 18531 306 1 2 . 1 1 11 11 THR CA C 11 62.000 62.000 62.056 -0.056 18531 307 1 2 . 1 1 11 11 THR CB C 11 69.800 69.800 69.551 0.249 18531 308 1 2 . 1 1 11 11 THR H H 11 8.790 8.790 7.875 0.915 18531 309 1 2 . 1 1 12 12 LEU N N 12 125.700 125.700 124.059 1.641 18531 310 1 2 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.441 -0.001 18531 311 1 2 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.076 -0.076 18531 312 1 2 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.064 0.236 18531 313 1 2 . 1 1 12 12 LEU H H 12 7.580 7.580 8.067 -0.487 18531 314 1 2 . 1 1 13 13 LYS N N 13 123.500 123.500 125.472 -1.972 18531 315 1 2 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.577 0.543 18531 316 1 2 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.124 -2.224 18531 317 1 2 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.327 1.473 18531 318 1 2 . 1 1 13 13 LYS H H 13 8.140 8.140 8.528 -0.388 18531 319 1 2 . 1 1 14 14 GLY N N 14 109.100 109.100 109.832 -0.732 18531 320 1 2 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.235 0.965 18531 321 1 2 . 1 1 14 14 GLY H H 14 8.340 8.340 8.110 0.230 18531 322 1 2 . 1 1 15 15 GLU N N 15 118.200 118.200 118.519 -0.319 18531 323 1 2 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.510 0.090 18531 324 1 2 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.731 -0.231 18531 325 1 2 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.576 0.224 18531 326 1 2 . 1 1 15 15 GLU H H 15 8.390 8.390 8.377 0.013 18531 327 1 2 . 1 1 16 16 THR N N 16 115.600 115.600 114.584 1.016 18531 328 1 2 . 1 1 16 16 THR HA H 16 4.730 4.730 4.655 0.075 18531 329 1 2 . 1 1 16 16 THR CA C 16 60.600 60.600 60.879 -0.279 18531 330 1 2 . 1 1 16 16 THR CB C 16 69.500 69.500 70.534 -1.034 18531 331 1 2 . 1 1 16 16 THR H H 16 8.820 8.820 8.351 0.469 18531 332 1 2 . 1 1 17 17 THR N N 17 111.800 111.800 113.651 -1.851 18531 333 1 2 . 1 1 17 17 THR HA H 17 5.790 5.790 5.580 0.210 18531 334 1 2 . 1 1 17 17 THR CA C 17 59.800 59.800 60.680 -0.880 18531 335 1 2 . 1 1 17 17 THR CB C 17 73.100 73.100 72.169 0.931 18531 336 1 2 . 1 1 17 17 THR H H 17 8.140 8.140 8.213 -0.073 18531 337 1 2 . 1 1 18 18 THR N N 18 115.100 115.100 114.815 0.285 18531 338 1 2 . 1 1 18 18 THR HA H 18 4.640 4.640 4.565 0.075 18531 339 1 2 . 1 1 18 18 THR CA C 18 61.900 61.900 61.771 0.129 18531 340 1 2 . 1 1 18 18 THR CB C 18 70.000 70.000 69.649 0.351 18531 341 1 2 . 1 1 18 18 THR H H 18 8.930 8.930 8.488 0.442 18531 342 1 2 . 1 1 19 19 LYS N N 19 124.300 124.300 128.261 -3.961 18531 343 1 2 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.052 0.278 18531 344 1 2 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.150 -0.150 18531 345 1 2 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.885 0.915 18531 346 1 2 . 1 1 19 19 LYS H H 19 7.950 7.950 8.363 -0.413 18531 347 1 2 . 1 1 20 20 ALA N N 20 124.600 124.600 128.053 -3.453 18531 348 1 2 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.596 0.184 18531 349 1 2 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.891 0.009 18531 350 1 2 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.207 2.593 18531 351 1 2 . 1 1 20 20 ALA H H 20 9.110 9.110 8.335 0.775 18531 352 1 2 . 1 1 21 21 VAL N N 21 115.300 115.300 119.192 -3.892 18531 353 1 2 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.848 0.262 18531 354 1 2 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.283 -0.983 18531 355 1 2 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.749 0.451 18531 356 1 2 . 1 1 21 21 VAL H H 21 8.480 8.480 8.609 -0.129 18531 357 1 2 . 1 1 22 22 ASP N N 22 115.200 115.200 113.525 1.675 18531 358 1 2 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.844 -0.134 18531 359 1 2 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.656 -0.255 18531 360 1 2 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.020 0.180 18531 361 1 2 . 1 1 22 22 ASP H H 22 7.310 7.310 7.519 -0.209 18531 362 1 2 . 1 1 23 23 ALA N N 23 121.000 121.000 122.798 -1.798 18531 363 1 2 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.555 -0.215 18531 364 1 2 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.272 -0.372 18531 365 1 2 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.582 -1.082 18531 366 1 2 . 1 1 23 23 ALA H H 23 8.370 8.370 8.748 -0.378 18531 367 1 2 . 1 1 24 24 GLU N N 24 118.900 118.900 118.443 0.457 18531 368 1 2 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.891 -0.031 18531 369 1 2 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.423 0.277 18531 370 1 2 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.842 0.258 18531 371 1 2 . 1 1 24 24 GLU H H 24 8.410 8.410 8.717 -0.307 18531 372 1 2 . 1 1 25 25 THR N N 25 117.400 117.400 114.433 2.967 18531 373 1 2 . 1 1 25 25 THR HA H 25 3.670 3.670 4.100 -0.430 18531 374 1 2 . 1 1 25 25 THR CA C 25 66.800 66.800 65.718 1.082 18531 375 1 2 . 1 1 25 25 THR CB C 25 68.000 68.000 68.667 -0.667 18531 376 1 2 . 1 1 25 25 THR H H 25 8.380 8.380 7.903 0.477 18531 377 1 2 . 1 1 26 26 ALA N N 26 125.100 125.100 124.116 0.984 18531 378 1 2 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.736 -0.546 18531 379 1 2 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.224 0.776 18531 380 1 2 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.640 -0.340 18531 381 1 2 . 1 1 26 26 ALA H H 26 7.220 7.220 7.097 0.123 18531 382 1 2 . 1 1 27 27 GLU N N 27 117.400 117.400 119.252 -1.852 18531 383 1 2 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.665 -1.075 18531 384 1 2 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.877 -0.177 18531 385 1 2 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.324 -0.124 18531 386 1 2 . 1 1 27 27 GLU H H 27 8.370 8.370 8.437 -0.067 18531 387 1 2 . 1 1 28 28 LYS N N 28 116.300 116.300 119.016 -2.716 18531 388 1 2 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.777 -0.107 18531 389 1 2 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.523 0.077 18531 390 1 2 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.097 0.103 18531 391 1 2 . 1 1 28 28 LYS H H 28 7.170 7.170 7.292 -0.122 18531 392 1 2 . 1 1 29 29 ALA N N 29 122.000 122.000 121.744 0.256 18531 393 1 2 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.992 0.098 18531 394 1 2 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.802 -0.102 18531 395 1 2 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.017 -0.516 18531 396 1 2 . 1 1 29 29 ALA H H 29 7.200 7.200 7.135 0.065 18531 397 1 2 . 1 1 30 30 PHE N N 30 119.600 119.600 117.187 2.413 18531 398 1 2 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.087 0.693 18531 399 1 2 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.605 -4.005 18531 400 1 2 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.057 -0.657 18531 401 1 2 . 1 1 30 30 PHE H H 30 8.610 8.610 8.128 0.482 18531 402 1 2 . 1 1 31 31 LYS N N 31 122.800 122.800 117.220 5.580 18531 403 1 2 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.916 0.174 18531 404 1 2 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.457 0.243 18531 405 1 2 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.962 -0.362 18531 406 1 2 . 1 1 31 31 LYS H H 31 9.030 9.030 8.201 0.829 18531 407 1 2 . 1 1 32 32 GLN N N 32 119.600 119.600 120.037 -0.437 18531 408 1 2 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.060 -0.030 18531 409 1 2 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.001 -0.301 18531 410 1 2 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.177 -0.077 18531 411 1 2 . 1 1 32 32 GLN H H 32 7.510 7.510 7.885 -0.375 18531 412 1 2 . 1 1 33 33 TYR N N 33 120.400 120.400 120.741 -0.341 18531 413 1 2 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.419 -0.169 18531 414 1 2 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.178 0.622 18531 415 1 2 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.344 0.356 18531 416 1 2 . 1 1 33 33 TYR H H 33 8.080 8.080 7.901 0.179 18531 417 1 2 . 1 1 34 34 ALA N N 34 122.300 122.300 121.451 0.849 18531 418 1 2 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.040 -0.260 18531 419 1 2 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.300 0.800 18531 420 1 2 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.548 -0.848 18531 421 1 2 . 1 1 34 34 ALA H H 34 9.210 9.210 7.727 1.483 18531 422 1 2 . 1 1 35 35 ASN N N 35 117.700 117.700 117.550 0.150 18531 423 1 2 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.456 0.004 18531 424 1 2 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.823 1.177 18531 425 1 2 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.002 0.998 18531 426 1 2 . 1 1 35 35 ASN H H 35 8.390 8.390 8.057 0.333 18531 427 1 2 . 1 1 36 36 ASP N N 36 121.100 121.100 120.733 0.367 18531 428 1 2 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.440 -0.080 18531 429 1 2 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.023 -0.323 18531 430 1 2 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.331 -0.332 18531 431 1 2 . 1 1 36 36 ASP H H 36 8.830 8.830 8.572 0.258 18531 432 1 2 . 1 1 37 37 ASN N N 37 115.200 115.200 115.026 0.174 18531 433 1 2 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.843 -0.233 18531 434 1 2 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.514 1.186 18531 435 1 2 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.702 1.298 18531 436 1 2 . 1 1 37 37 ASN H H 37 7.390 7.390 7.536 -0.146 18531 437 1 2 . 1 1 38 38 GLY N N 38 108.200 108.200 107.970 0.230 18531 438 1 2 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.203 0.197 18531 439 1 2 . 1 1 38 38 GLY H H 38 7.800 7.800 8.142 -0.342 18531 440 1 2 . 1 1 39 39 VAL N N 39 120.800 120.800 120.256 0.544 18531 441 1 2 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.192 -0.052 18531 442 1 2 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.040 -0.340 18531 443 1 2 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.562 0.738 18531 444 1 2 . 1 1 39 39 VAL H H 39 8.120 8.120 8.033 0.087 18531 445 1 2 . 1 1 40 40 ASP N N 40 128.000 128.000 128.284 -0.284 18531 446 1 2 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.872 0.018 18531 447 1 2 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.034 -0.234 18531 448 1 2 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.707 -0.607 18531 449 1 2 . 1 1 40 40 ASP H H 40 8.770 8.770 8.117 0.653 18531 450 1 2 . 1 1 41 41 GLY N N 41 107.100 107.100 109.648 -2.548 18531 451 1 2 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.652 0.748 18531 452 1 2 . 1 1 41 41 GLY H H 41 7.910 7.910 8.039 -0.129 18531 453 1 2 . 1 1 42 42 VAL N N 42 120.300 120.300 121.145 -0.845 18531 454 1 2 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.376 0.004 18531 455 1 2 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.354 1.746 18531 456 1 2 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.375 0.025 18531 457 1 2 . 1 1 42 42 VAL H H 42 8.250 8.250 7.698 0.552 18531 458 1 2 . 1 1 43 43 TRP N N 43 130.700 130.700 128.904 1.796 18531 459 1 2 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.960 0.400 18531 460 1 2 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.528 1.072 18531 461 1 2 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.496 -0.296 18531 462 1 2 . 1 1 43 43 TRP H H 43 9.360 9.360 8.658 0.702 18531 463 1 2 . 1 1 44 44 THR N N 44 114.500 114.500 117.971 -3.471 18531 464 1 2 . 1 1 44 44 THR HA H 44 4.830 4.830 4.795 0.035 18531 465 1 2 . 1 1 44 44 THR CA C 44 60.300 60.300 61.520 -1.220 18531 466 1 2 . 1 1 44 44 THR CB C 44 72.100 72.100 70.421 1.679 18531 467 1 2 . 1 1 44 44 THR H H 44 9.400 9.400 8.493 0.907 18531 468 1 2 . 1 1 45 45 TYR N N 45 120.100 120.100 124.977 -4.877 18531 469 1 2 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.991 -0.021 18531 470 1 2 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.940 1.060 18531 471 1 2 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.026 1.574 18531 472 1 2 . 1 1 45 45 TYR H H 45 8.580 8.580 8.378 0.202 18531 473 1 2 . 1 1 46 46 ASP N N 46 128.300 128.300 123.820 4.480 18531 474 1 2 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.406 0.174 18531 475 1 2 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.011 -0.111 18531 476 1 2 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.082 -0.982 18531 477 1 2 . 1 1 46 46 ASP H H 46 7.580 7.580 8.339 -0.759 18531 478 1 2 . 1 1 47 47 ASP N N 47 124.800 124.800 124.000 0.800 18531 479 1 2 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.254 -0.144 18531 480 1 2 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.817 -0.317 18531 481 1 2 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.270 0.830 18531 482 1 2 . 1 1 47 47 ASP H H 47 8.590 8.590 8.496 0.094 18531 483 1 2 . 1 1 48 48 ALA N N 48 119.700 119.700 120.143 -0.443 18531 484 1 2 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.100 -0.010 18531 485 1 2 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.147 0.853 18531 486 1 2 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.448 -0.148 18531 487 1 2 . 1 1 48 48 ALA H H 48 8.340 8.340 7.802 0.538 18531 488 1 2 . 1 1 49 49 THR N N 49 103.200 103.200 111.331 -8.131 18531 489 1 2 . 1 1 49 49 THR HA H 49 4.390 4.390 4.572 -0.182 18531 490 1 2 . 1 1 49 49 THR CA C 49 60.200 60.200 60.367 -0.167 18531 491 1 2 . 1 1 49 49 THR CB C 49 70.000 70.000 70.167 -0.167 18531 492 1 2 . 1 1 49 49 THR H H 49 7.000 7.000 7.341 -0.341 18531 493 1 2 . 1 1 50 50 LYS N N 50 123.100 123.100 120.060 3.040 18531 494 1 2 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.917 -0.727 18531 495 1 2 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.576 1.024 18531 496 1 2 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.579 -4.979 18531 497 1 2 . 1 1 50 50 LYS H H 50 7.860 7.860 8.373 -0.513 18531 498 1 2 . 1 1 51 51 THR N N 51 111.200 111.200 117.187 -5.987 18531 499 1 2 . 1 1 51 51 THR HA H 51 5.490 5.490 5.071 0.419 18531 500 1 2 . 1 1 51 51 THR CA C 51 62.300 62.300 62.298 0.002 18531 501 1 2 . 1 1 51 51 THR CB C 51 72.100 72.100 70.791 1.309 18531 502 1 2 . 1 1 51 51 THR H H 51 7.390 7.390 8.017 -0.627 18531 503 1 2 . 1 1 52 52 PHE N N 52 131.000 131.000 125.838 5.162 18531 504 1 2 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.288 0.342 18531 505 1 2 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.852 1.448 18531 506 1 2 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.045 0.555 18531 507 1 2 . 1 1 52 52 PHE H H 52 10.390 10.390 9.446 0.944 18531 508 1 2 . 1 1 53 53 THR N N 53 117.400 117.400 119.312 -1.912 18531 509 1 2 . 1 1 53 53 THR HA H 53 5.270 5.270 5.165 0.104 18531 510 1 2 . 1 1 53 53 THR CA C 53 61.200 61.200 61.733 -0.533 18531 511 1 2 . 1 1 53 53 THR CB C 53 71.000 71.000 71.001 -0.001 18531 512 1 2 . 1 1 53 53 THR H H 53 9.180 9.180 8.464 0.716 18531 513 1 2 . 1 1 54 54 VAL N N 54 123.000 123.000 128.204 -5.204 18531 514 1 2 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.717 -0.257 18531 515 1 2 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.792 -0.692 18531 516 1 2 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.934 -2.634 18531 517 1 2 . 1 1 54 54 VAL H H 54 8.280 8.280 9.061 -0.781 18531 518 1 2 . 1 1 55 55 THR N N 55 123.900 123.900 125.720 -1.820 18531 519 1 2 . 1 1 55 55 THR HA H 55 4.700 4.700 4.576 0.124 18531 520 1 2 . 1 1 55 55 THR CA C 55 61.200 61.200 61.514 -0.314 18531 521 1 2 . 1 1 55 55 THR CB C 55 70.700 70.700 69.302 1.398 18531 522 1 2 . 1 1 55 55 THR H H 55 8.320 8.320 8.198 0.122 18531 523 1 3 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.686 0.364 18531 524 1 3 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.786 0.814 18531 525 1 3 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.788 -0.088 18531 526 1 3 . 1 1 2 2 GLN H H 2 8.410 8.410 8.239 0.171 18531 527 1 3 . 1 1 3 3 TYR N N 3 124.000 124.000 122.488 1.512 18531 528 1 3 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.050 0.310 18531 529 1 3 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.530 1.570 18531 530 1 3 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.446 3.154 18531 531 1 3 . 1 1 3 3 TYR H H 3 9.070 9.070 7.926 1.144 18531 532 1 3 . 1 1 4 4 LYS N N 4 122.500 122.500 119.946 2.554 18531 533 1 3 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.230 -0.010 18531 534 1 3 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.336 0.664 18531 535 1 3 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.992 0.008 18531 536 1 3 . 1 1 4 4 LYS H H 4 9.100 9.100 9.301 -0.201 18531 537 1 3 . 1 1 5 5 LEU N N 5 126.400 126.400 126.985 -0.585 18531 538 1 3 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.179 -0.209 18531 539 1 3 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.145 -1.345 18531 540 1 3 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.451 -1.851 18531 541 1 3 . 1 1 5 5 LEU H H 5 8.620 8.620 8.535 0.085 18531 542 1 3 . 1 1 6 6 VAL N N 6 127.000 127.000 127.076 -0.076 18531 543 1 3 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.840 -0.680 18531 544 1 3 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.409 1.891 18531 545 1 3 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.755 -1.056 18531 546 1 3 . 1 1 6 6 VAL H H 6 9.190 9.190 9.354 -0.164 18531 547 1 3 . 1 1 7 7 ILE N N 7 125.400 125.400 125.357 0.043 18531 548 1 3 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.355 -0.265 18531 549 1 3 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.761 -0.061 18531 550 1 3 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.505 0.495 18531 551 1 3 . 1 1 7 7 ILE H H 7 8.800 8.800 8.920 -0.120 18531 552 1 3 . 1 1 8 8 ASN N N 8 128.900 128.900 126.471 2.429 18531 553 1 3 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.007 0.273 18531 554 1 3 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.451 -1.651 18531 555 1 3 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.484 -0.384 18531 556 1 3 . 1 1 8 8 ASN H H 8 8.990 8.990 8.394 0.596 18531 557 1 3 . 1 1 9 9 GLY N N 9 110.200 110.200 109.331 0.869 18531 558 1 3 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.807 -0.107 18531 559 1 3 . 1 1 9 9 GLY H H 9 7.920 7.920 7.829 0.091 18531 560 1 3 . 1 1 10 10 LYS N N 10 120.700 120.700 120.064 0.636 18531 561 1 3 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.245 -0.185 18531 562 1 3 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.218 0.982 18531 563 1 3 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.894 0.006 18531 564 1 3 . 1 1 10 10 LYS H H 10 9.520 9.520 8.187 1.333 18531 565 1 3 . 1 1 11 11 THR N N 11 108.900 108.900 113.511 -4.611 18531 566 1 3 . 1 1 11 11 THR HA H 11 4.360 4.360 4.456 -0.096 18531 567 1 3 . 1 1 11 11 THR CA C 11 62.000 62.000 61.597 0.403 18531 568 1 3 . 1 1 11 11 THR CB C 11 69.800 69.800 69.019 0.781 18531 569 1 3 . 1 1 11 11 THR H H 11 8.790 8.790 8.207 0.583 18531 570 1 3 . 1 1 12 12 LEU N N 12 125.700 125.700 123.177 2.523 18531 571 1 3 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.535 -0.095 18531 572 1 3 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.187 -0.187 18531 573 1 3 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.386 -1.086 18531 574 1 3 . 1 1 12 12 LEU H H 12 7.580 7.580 7.620 -0.040 18531 575 1 3 . 1 1 13 13 LYS N N 13 123.500 123.500 123.866 -0.366 18531 576 1 3 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.606 -0.486 18531 577 1 3 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.534 -0.634 18531 578 1 3 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.530 -0.730 18531 579 1 3 . 1 1 13 13 LYS H H 13 8.140 8.140 8.355 -0.215 18531 580 1 3 . 1 1 14 14 GLY N N 14 109.100 109.100 110.008 -0.908 18531 581 1 3 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.866 -0.666 18531 582 1 3 . 1 1 14 14 GLY H H 14 8.340 8.340 8.101 0.239 18531 583 1 3 . 1 1 15 15 GLU N N 15 118.200 118.200 119.039 -0.839 18531 584 1 3 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.627 -0.027 18531 585 1 3 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.467 0.033 18531 586 1 3 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.815 -0.015 18531 587 1 3 . 1 1 15 15 GLU H H 15 8.390 8.390 8.409 -0.019 18531 588 1 3 . 1 1 16 16 THR N N 16 115.600 115.600 113.767 1.833 18531 589 1 3 . 1 1 16 16 THR HA H 16 4.730 4.730 4.611 0.119 18531 590 1 3 . 1 1 16 16 THR CA C 16 60.600 60.600 60.825 -0.225 18531 591 1 3 . 1 1 16 16 THR CB C 16 69.500 69.500 70.931 -1.431 18531 592 1 3 . 1 1 16 16 THR H H 16 8.820 8.820 8.382 0.438 18531 593 1 3 . 1 1 17 17 THR N N 17 111.800 111.800 114.136 -2.336 18531 594 1 3 . 1 1 17 17 THR HA H 17 5.790 5.790 5.465 0.325 18531 595 1 3 . 1 1 17 17 THR CA C 17 59.800 59.800 60.124 -0.324 18531 596 1 3 . 1 1 17 17 THR CB C 17 73.100 73.100 72.229 0.871 18531 597 1 3 . 1 1 17 17 THR H H 17 8.140 8.140 8.221 -0.081 18531 598 1 3 . 1 1 18 18 THR N N 18 115.100 115.100 114.340 0.760 18531 599 1 3 . 1 1 18 18 THR HA H 18 4.640 4.640 4.572 0.068 18531 600 1 3 . 1 1 18 18 THR CA C 18 61.900 61.900 61.018 0.882 18531 601 1 3 . 1 1 18 18 THR CB C 18 70.000 70.000 69.775 0.225 18531 602 1 3 . 1 1 18 18 THR H H 18 8.930 8.930 8.391 0.539 18531 603 1 3 . 1 1 19 19 LYS N N 19 124.300 124.300 123.839 0.461 18531 604 1 3 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.907 0.423 18531 605 1 3 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.106 -0.106 18531 606 1 3 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.092 -0.291 18531 607 1 3 . 1 1 19 19 LYS H H 19 7.950 7.950 8.171 -0.221 18531 608 1 3 . 1 1 20 20 ALA N N 20 124.600 124.600 125.136 -0.536 18531 609 1 3 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.549 0.231 18531 610 1 3 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.665 -0.765 18531 611 1 3 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.688 2.112 18531 612 1 3 . 1 1 20 20 ALA H H 20 9.110 9.110 7.993 1.117 18531 613 1 3 . 1 1 21 21 VAL N N 21 115.300 115.300 116.465 -1.165 18531 614 1 3 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.114 -0.004 18531 615 1 3 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.572 -0.272 18531 616 1 3 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.544 0.656 18531 617 1 3 . 1 1 21 21 VAL H H 21 8.480 8.480 8.494 -0.014 18531 618 1 3 . 1 1 22 22 ASP N N 22 115.200 115.200 114.982 0.218 18531 619 1 3 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.717 -0.007 18531 620 1 3 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.371 -0.971 18531 621 1 3 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.131 0.069 18531 622 1 3 . 1 1 22 22 ASP H H 22 7.310 7.310 7.597 -0.287 18531 623 1 3 . 1 1 23 23 ALA N N 23 121.000 121.000 124.597 -3.597 18531 624 1 3 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.738 -0.398 18531 625 1 3 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.208 -0.308 18531 626 1 3 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.652 -1.152 18531 627 1 3 . 1 1 23 23 ALA H H 23 8.370 8.370 8.732 -0.362 18531 628 1 3 . 1 1 24 24 GLU N N 24 118.900 118.900 118.853 0.047 18531 629 1 3 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.930 -0.070 18531 630 1 3 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.295 0.405 18531 631 1 3 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.975 0.125 18531 632 1 3 . 1 1 24 24 GLU H H 24 8.410 8.410 8.839 -0.429 18531 633 1 3 . 1 1 25 25 THR N N 25 117.400 117.400 116.192 1.208 18531 634 1 3 . 1 1 25 25 THR HA H 25 3.670 3.670 4.001 -0.331 18531 635 1 3 . 1 1 25 25 THR CA C 25 66.800 66.800 65.647 1.153 18531 636 1 3 . 1 1 25 25 THR CB C 25 68.000 68.000 68.863 -0.863 18531 637 1 3 . 1 1 25 25 THR H H 25 8.380 8.380 7.990 0.390 18531 638 1 3 . 1 1 26 26 ALA N N 26 125.100 125.100 124.323 0.777 18531 639 1 3 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.570 -0.380 18531 640 1 3 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.716 0.284 18531 641 1 3 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.910 -0.610 18531 642 1 3 . 1 1 26 26 ALA H H 26 7.220 7.220 7.626 -0.406 18531 643 1 3 . 1 1 27 27 GLU N N 27 117.400 117.400 118.223 -0.823 18531 644 1 3 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.720 -1.130 18531 645 1 3 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.537 0.163 18531 646 1 3 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.405 -0.205 18531 647 1 3 . 1 1 27 27 GLU H H 27 8.370 8.370 8.379 -0.009 18531 648 1 3 . 1 1 28 28 LYS N N 28 116.300 116.300 117.978 -1.678 18531 649 1 3 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.875 -0.205 18531 650 1 3 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.974 0.626 18531 651 1 3 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.012 0.188 18531 652 1 3 . 1 1 28 28 LYS H H 28 7.170 7.170 7.428 -0.258 18531 653 1 3 . 1 1 29 29 ALA N N 29 122.000 122.000 120.015 1.985 18531 654 1 3 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.088 0.002 18531 655 1 3 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.223 0.477 18531 656 1 3 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.455 -0.955 18531 657 1 3 . 1 1 29 29 ALA H H 29 7.200 7.200 7.088 0.112 18531 658 1 3 . 1 1 30 30 PHE N N 30 119.600 119.600 118.053 1.547 18531 659 1 3 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.212 0.568 18531 660 1 3 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.343 -2.743 18531 661 1 3 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.004 -0.604 18531 662 1 3 . 1 1 30 30 PHE H H 30 8.610 8.610 7.693 0.917 18531 663 1 3 . 1 1 31 31 LYS N N 31 122.800 122.800 117.517 5.283 18531 664 1 3 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.080 0.010 18531 665 1 3 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.197 1.503 18531 666 1 3 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.966 -0.366 18531 667 1 3 . 1 1 31 31 LYS H H 31 9.030 9.030 8.028 1.002 18531 668 1 3 . 1 1 32 32 GLN N N 32 119.600 119.600 119.875 -0.275 18531 669 1 3 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.189 -0.159 18531 670 1 3 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.747 -0.047 18531 671 1 3 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.276 -1.176 18531 672 1 3 . 1 1 32 32 GLN H H 32 7.510 7.510 7.411 0.099 18531 673 1 3 . 1 1 33 33 TYR N N 33 120.400 120.400 121.658 -1.258 18531 674 1 3 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.046 0.204 18531 675 1 3 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.228 0.572 18531 676 1 3 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.268 0.432 18531 677 1 3 . 1 1 33 33 TYR H H 33 8.080 8.080 8.078 0.002 18531 678 1 3 . 1 1 34 34 ALA N N 34 122.300 122.300 119.583 2.717 18531 679 1 3 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.771 0.009 18531 680 1 3 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.278 0.822 18531 681 1 3 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.314 -0.614 18531 682 1 3 . 1 1 34 34 ALA H H 34 9.210 9.210 7.956 1.254 18531 683 1 3 . 1 1 35 35 ASN N N 35 117.700 117.700 117.629 0.071 18531 684 1 3 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.460 0.000 18531 685 1 3 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.990 1.010 18531 686 1 3 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.039 0.961 18531 687 1 3 . 1 1 35 35 ASN H H 35 8.390 8.390 8.051 0.339 18531 688 1 3 . 1 1 36 36 ASP N N 36 121.100 121.100 120.629 0.471 18531 689 1 3 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.452 -0.092 18531 690 1 3 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.838 -0.138 18531 691 1 3 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.785 -0.785 18531 692 1 3 . 1 1 36 36 ASP H H 36 8.830 8.830 8.595 0.235 18531 693 1 3 . 1 1 37 37 ASN N N 37 115.200 115.200 115.224 -0.024 18531 694 1 3 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.795 -0.185 18531 695 1 3 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.760 0.940 18531 696 1 3 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.758 1.242 18531 697 1 3 . 1 1 37 37 ASN H H 37 7.390 7.390 7.614 -0.224 18531 698 1 3 . 1 1 38 38 GLY N N 38 108.200 108.200 108.586 -0.386 18531 699 1 3 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.266 0.134 18531 700 1 3 . 1 1 38 38 GLY H H 38 7.800 7.800 8.231 -0.431 18531 701 1 3 . 1 1 39 39 VAL N N 39 120.800 120.800 119.534 1.266 18531 702 1 3 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.982 0.158 18531 703 1 3 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.760 -1.060 18531 704 1 3 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.187 1.113 18531 705 1 3 . 1 1 39 39 VAL H H 39 8.120 8.120 7.952 0.168 18531 706 1 3 . 1 1 40 40 ASP N N 40 128.000 128.000 127.264 0.736 18531 707 1 3 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.803 0.087 18531 708 1 3 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.550 0.250 18531 709 1 3 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.204 -1.104 18531 710 1 3 . 1 1 40 40 ASP H H 40 8.770 8.770 8.310 0.460 18531 711 1 3 . 1 1 41 41 GLY N N 41 107.100 107.100 108.340 -1.240 18531 712 1 3 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.963 0.437 18531 713 1 3 . 1 1 41 41 GLY H H 41 7.910 7.910 7.869 0.041 18531 714 1 3 . 1 1 42 42 VAL N N 42 120.300 120.300 121.544 -1.244 18531 715 1 3 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.305 0.075 18531 716 1 3 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.323 2.777 18531 717 1 3 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.440 -0.040 18531 718 1 3 . 1 1 42 42 VAL H H 42 8.250 8.250 7.658 0.592 18531 719 1 3 . 1 1 43 43 TRP N N 43 130.700 130.700 129.688 1.012 18531 720 1 3 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.969 0.391 18531 721 1 3 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.280 1.320 18531 722 1 3 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.676 -0.476 18531 723 1 3 . 1 1 43 43 TRP H H 43 9.360 9.360 8.419 0.941 18531 724 1 3 . 1 1 44 44 THR N N 44 114.500 114.500 117.278 -2.778 18531 725 1 3 . 1 1 44 44 THR HA H 44 4.830 4.830 4.861 -0.031 18531 726 1 3 . 1 1 44 44 THR CA C 44 60.300 60.300 61.019 -0.719 18531 727 1 3 . 1 1 44 44 THR CB C 44 72.100 72.100 71.322 0.778 18531 728 1 3 . 1 1 44 44 THR H H 44 9.400 9.400 8.754 0.646 18531 729 1 3 . 1 1 45 45 TYR N N 45 120.100 120.100 121.872 -1.772 18531 730 1 3 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.686 0.284 18531 731 1 3 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.323 0.677 18531 732 1 3 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.725 1.875 18531 733 1 3 . 1 1 45 45 TYR H H 45 8.580 8.580 8.239 0.341 18531 734 1 3 . 1 1 46 46 ASP N N 46 128.300 128.300 122.138 6.162 18531 735 1 3 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.406 0.174 18531 736 1 3 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.950 -0.050 18531 737 1 3 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.861 -0.761 18531 738 1 3 . 1 1 46 46 ASP H H 46 7.580 7.580 8.261 -0.681 18531 739 1 3 . 1 1 47 47 ASP N N 47 124.800 124.800 124.704 0.096 18531 740 1 3 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.215 -0.105 18531 741 1 3 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.422 0.078 18531 742 1 3 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.125 0.975 18531 743 1 3 . 1 1 47 47 ASP H H 47 8.590 8.590 8.364 0.226 18531 744 1 3 . 1 1 48 48 ALA N N 48 119.700 119.700 120.840 -1.140 18531 745 1 3 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.051 0.039 18531 746 1 3 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.075 0.925 18531 747 1 3 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.009 -0.709 18531 748 1 3 . 1 1 48 48 ALA H H 48 8.340 8.340 7.970 0.370 18531 749 1 3 . 1 1 49 49 THR N N 49 103.200 103.200 111.313 -8.113 18531 750 1 3 . 1 1 49 49 THR HA H 49 4.390 4.390 4.459 -0.069 18531 751 1 3 . 1 1 49 49 THR CA C 49 60.200 60.200 60.580 -0.380 18531 752 1 3 . 1 1 49 49 THR CB C 49 70.000 70.000 69.986 0.015 18531 753 1 3 . 1 1 49 49 THR H H 49 7.000 7.000 7.636 -0.636 18531 754 1 3 . 1 1 50 50 LYS N N 50 123.100 123.100 119.287 3.813 18531 755 1 3 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.719 -0.529 18531 756 1 3 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.190 0.410 18531 757 1 3 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.697 -5.097 18531 758 1 3 . 1 1 50 50 LYS H H 50 7.860 7.860 8.390 -0.530 18531 759 1 3 . 1 1 51 51 THR N N 51 111.200 111.200 117.273 -6.073 18531 760 1 3 . 1 1 51 51 THR HA H 51 5.490 5.490 5.086 0.404 18531 761 1 3 . 1 1 51 51 THR CA C 51 62.300 62.300 62.021 0.279 18531 762 1 3 . 1 1 51 51 THR CB C 51 72.100 72.100 70.715 1.385 18531 763 1 3 . 1 1 51 51 THR H H 51 7.390 7.390 8.045 -0.655 18531 764 1 3 . 1 1 52 52 PHE N N 52 131.000 131.000 126.031 4.969 18531 765 1 3 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.406 0.224 18531 766 1 3 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.827 1.473 18531 767 1 3 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.248 0.352 18531 768 1 3 . 1 1 52 52 PHE H H 52 10.390 10.390 9.233 1.157 18531 769 1 3 . 1 1 53 53 THR N N 53 117.400 117.400 118.756 -1.356 18531 770 1 3 . 1 1 53 53 THR HA H 53 5.270 5.270 5.322 -0.052 18531 771 1 3 . 1 1 53 53 THR CA C 53 61.200 61.200 61.477 -0.277 18531 772 1 3 . 1 1 53 53 THR CB C 53 71.000 71.000 71.783 -0.783 18531 773 1 3 . 1 1 53 53 THR H H 53 9.180 9.180 8.586 0.594 18531 774 1 3 . 1 1 54 54 VAL N N 54 123.000 123.000 125.053 -2.053 18531 775 1 3 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.500 -0.040 18531 776 1 3 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.404 -1.304 18531 777 1 3 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.884 -1.584 18531 778 1 3 . 1 1 54 54 VAL H H 54 8.280 8.280 8.115 0.165 18531 779 1 3 . 1 1 55 55 THR N N 55 123.900 123.900 124.377 -0.477 18531 780 1 3 . 1 1 55 55 THR HA H 55 4.700 4.700 4.800 -0.100 18531 781 1 3 . 1 1 55 55 THR CA C 55 61.200 61.200 59.621 1.579 18531 782 1 3 . 1 1 55 55 THR CB C 55 70.700 70.700 69.949 0.751 18531 783 1 3 . 1 1 55 55 THR H H 55 8.320 8.320 8.398 -0.078 18531 784 1 4 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.287 -0.237 18531 785 1 4 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.871 1.729 18531 786 1 4 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.712 -0.012 18531 787 1 4 . 1 1 2 2 GLN H H 2 8.410 8.410 8.161 0.249 18531 788 1 4 . 1 1 3 3 TYR N N 3 124.000 124.000 120.900 3.100 18531 789 1 4 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.714 0.646 18531 790 1 4 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.898 0.202 18531 791 1 4 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.038 1.562 18531 792 1 4 . 1 1 3 3 TYR H H 3 9.070 9.070 8.354 0.716 18531 793 1 4 . 1 1 4 4 LYS N N 4 122.500 122.500 119.978 2.522 18531 794 1 4 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.388 -0.168 18531 795 1 4 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.024 0.976 18531 796 1 4 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.150 -0.150 18531 797 1 4 . 1 1 4 4 LYS H H 4 9.100 9.100 8.760 0.340 18531 798 1 4 . 1 1 5 5 LEU N N 5 126.400 126.400 125.986 0.414 18531 799 1 4 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.151 -0.181 18531 800 1 4 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.240 -1.440 18531 801 1 4 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.922 -2.322 18531 802 1 4 . 1 1 5 5 LEU H H 5 8.620 8.620 8.386 0.234 18531 803 1 4 . 1 1 6 6 VAL N N 6 127.000 127.000 127.164 -0.164 18531 804 1 4 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.670 -0.510 18531 805 1 4 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.478 0.822 18531 806 1 4 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.058 -1.358 18531 807 1 4 . 1 1 6 6 VAL H H 6 9.190 9.190 9.177 0.013 18531 808 1 4 . 1 1 7 7 ILE N N 7 125.400 125.400 126.180 -0.780 18531 809 1 4 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.276 -0.186 18531 810 1 4 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.600 0.100 18531 811 1 4 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.462 0.538 18531 812 1 4 . 1 1 7 7 ILE H H 7 8.800 8.800 9.087 -0.287 18531 813 1 4 . 1 1 8 8 ASN N N 8 128.900 128.900 126.456 2.444 18531 814 1 4 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.875 0.405 18531 815 1 4 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.295 -1.495 18531 816 1 4 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.720 -0.620 18531 817 1 4 . 1 1 8 8 ASN H H 8 8.990 8.990 8.050 0.940 18531 818 1 4 . 1 1 9 9 GLY N N 9 110.200 110.200 107.599 2.601 18531 819 1 4 . 1 1 9 9 GLY CA C 9 44.700 44.700 45.031 -0.331 18531 820 1 4 . 1 1 9 9 GLY H H 9 7.920 7.920 7.530 0.390 18531 821 1 4 . 1 1 10 10 LYS N N 10 120.700 120.700 118.603 2.097 18531 822 1 4 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.281 -0.221 18531 823 1 4 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.730 -0.530 18531 824 1 4 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.323 -0.423 18531 825 1 4 . 1 1 10 10 LYS H H 10 9.520 9.520 9.014 0.506 18531 826 1 4 . 1 1 11 11 THR N N 11 108.900 108.900 110.856 -1.956 18531 827 1 4 . 1 1 11 11 THR HA H 11 4.360 4.360 4.324 0.036 18531 828 1 4 . 1 1 11 11 THR CA C 11 62.000 62.000 62.837 -0.837 18531 829 1 4 . 1 1 11 11 THR CB C 11 69.800 69.800 69.170 0.630 18531 830 1 4 . 1 1 11 11 THR H H 11 8.790 8.790 8.004 0.786 18531 831 1 4 . 1 1 12 12 LEU N N 12 125.700 125.700 124.703 0.997 18531 832 1 4 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.365 0.075 18531 833 1 4 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.064 -0.064 18531 834 1 4 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.548 0.752 18531 835 1 4 . 1 1 12 12 LEU H H 12 7.580 7.580 7.923 -0.343 18531 836 1 4 . 1 1 13 13 LYS N N 13 123.500 123.500 123.631 -0.131 18531 837 1 4 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.424 -0.304 18531 838 1 4 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.813 -0.913 18531 839 1 4 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.954 -1.154 18531 840 1 4 . 1 1 13 13 LYS H H 13 8.140 8.140 8.254 -0.114 18531 841 1 4 . 1 1 14 14 GLY N N 14 109.100 109.100 109.872 -0.772 18531 842 1 4 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.511 -0.311 18531 843 1 4 . 1 1 14 14 GLY H H 14 8.340 8.340 8.061 0.279 18531 844 1 4 . 1 1 15 15 GLU N N 15 118.200 118.200 119.141 -0.941 18531 845 1 4 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.622 -0.022 18531 846 1 4 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.662 -0.162 18531 847 1 4 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.900 -0.100 18531 848 1 4 . 1 1 15 15 GLU H H 15 8.390 8.390 8.516 -0.126 18531 849 1 4 . 1 1 16 16 THR N N 16 115.600 115.600 114.661 0.939 18531 850 1 4 . 1 1 16 16 THR HA H 16 4.730 4.730 4.730 -0.000 18531 851 1 4 . 1 1 16 16 THR CA C 16 60.600 60.600 60.227 0.373 18531 852 1 4 . 1 1 16 16 THR CB C 16 69.500 69.500 69.601 -0.101 18531 853 1 4 . 1 1 16 16 THR H H 16 8.820 8.820 8.483 0.337 18531 854 1 4 . 1 1 17 17 THR N N 17 111.800 111.800 113.093 -1.293 18531 855 1 4 . 1 1 17 17 THR HA H 17 5.790 5.790 5.765 0.025 18531 856 1 4 . 1 1 17 17 THR CA C 17 59.800 59.800 60.604 -0.804 18531 857 1 4 . 1 1 17 17 THR CB C 17 73.100 73.100 71.844 1.256 18531 858 1 4 . 1 1 17 17 THR H H 17 8.140 8.140 8.188 -0.048 18531 859 1 4 . 1 1 18 18 THR N N 18 115.100 115.100 113.791 1.309 18531 860 1 4 . 1 1 18 18 THR HA H 18 4.640 4.640 4.523 0.117 18531 861 1 4 . 1 1 18 18 THR CA C 18 61.900 61.900 61.347 0.553 18531 862 1 4 . 1 1 18 18 THR CB C 18 70.000 70.000 70.788 -0.788 18531 863 1 4 . 1 1 18 18 THR H H 18 8.930 8.930 8.289 0.641 18531 864 1 4 . 1 1 19 19 LYS N N 19 124.300 124.300 120.159 4.141 18531 865 1 4 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.296 0.034 18531 866 1 4 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.400 -0.400 18531 867 1 4 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.623 0.177 18531 868 1 4 . 1 1 19 19 LYS H H 19 7.950 7.950 8.296 -0.346 18531 869 1 4 . 1 1 20 20 ALA N N 20 124.600 124.600 127.311 -2.711 18531 870 1 4 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.801 -0.021 18531 871 1 4 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.058 -0.158 18531 872 1 4 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.330 1.470 18531 873 1 4 . 1 1 20 20 ALA H H 20 9.110 9.110 8.432 0.678 18531 874 1 4 . 1 1 21 21 VAL N N 21 115.300 115.300 115.341 -0.041 18531 875 1 4 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.192 -0.082 18531 876 1 4 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.396 -0.096 18531 877 1 4 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.279 0.921 18531 878 1 4 . 1 1 21 21 VAL H H 21 8.480 8.480 8.424 0.056 18531 879 1 4 . 1 1 22 22 ASP N N 22 115.200 115.200 118.287 -3.087 18531 880 1 4 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.669 0.041 18531 881 1 4 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.846 -1.446 18531 882 1 4 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.969 -0.769 18531 883 1 4 . 1 1 22 22 ASP H H 22 7.310 7.310 7.406 -0.096 18531 884 1 4 . 1 1 23 23 ALA N N 23 121.000 121.000 126.683 -5.683 18531 885 1 4 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.530 -0.190 18531 886 1 4 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.802 0.098 18531 887 1 4 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.097 -0.597 18531 888 1 4 . 1 1 23 23 ALA H H 23 8.370 8.370 8.584 -0.214 18531 889 1 4 . 1 1 24 24 GLU N N 24 118.900 118.900 117.794 1.106 18531 890 1 4 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.806 0.054 18531 891 1 4 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.603 0.097 18531 892 1 4 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.278 0.822 18531 893 1 4 . 1 1 24 24 GLU H H 24 8.410 8.410 8.589 -0.179 18531 894 1 4 . 1 1 25 25 THR N N 25 117.400 117.400 114.812 2.588 18531 895 1 4 . 1 1 25 25 THR HA H 25 3.670 3.670 4.060 -0.390 18531 896 1 4 . 1 1 25 25 THR CA C 25 66.800 66.800 65.127 1.673 18531 897 1 4 . 1 1 25 25 THR CB C 25 68.000 68.000 68.304 -0.304 18531 898 1 4 . 1 1 25 25 THR H H 25 8.380 8.380 8.075 0.305 18531 899 1 4 . 1 1 26 26 ALA N N 26 125.100 125.100 122.376 2.724 18531 900 1 4 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.038 -0.848 18531 901 1 4 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.964 1.036 18531 902 1 4 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.127 -0.827 18531 903 1 4 . 1 1 26 26 ALA H H 26 7.220 7.220 7.630 -0.410 18531 904 1 4 . 1 1 27 27 GLU N N 27 117.400 117.400 120.003 -2.603 18531 905 1 4 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.790 -1.200 18531 906 1 4 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.833 -0.133 18531 907 1 4 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.235 -0.035 18531 908 1 4 . 1 1 27 27 GLU H H 27 8.370 8.370 7.809 0.561 18531 909 1 4 . 1 1 28 28 LYS N N 28 116.300 116.300 118.368 -2.068 18531 910 1 4 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.883 -0.213 18531 911 1 4 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.516 0.084 18531 912 1 4 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.939 0.261 18531 913 1 4 . 1 1 28 28 LYS H H 28 7.170 7.170 7.431 -0.261 18531 914 1 4 . 1 1 29 29 ALA N N 29 122.000 122.000 121.879 0.121 18531 915 1 4 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.113 -0.023 18531 916 1 4 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.647 0.053 18531 917 1 4 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.097 -0.597 18531 918 1 4 . 1 1 29 29 ALA H H 29 7.200 7.200 7.528 -0.328 18531 919 1 4 . 1 1 30 30 PHE N N 30 119.600 119.600 117.712 1.888 18531 920 1 4 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.363 0.417 18531 921 1 4 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.222 -3.622 18531 922 1 4 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.745 -1.345 18531 923 1 4 . 1 1 30 30 PHE H H 30 8.610 8.610 8.267 0.343 18531 924 1 4 . 1 1 31 31 LYS N N 31 122.800 122.800 118.955 3.845 18531 925 1 4 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.719 0.371 18531 926 1 4 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.041 1.659 18531 927 1 4 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.774 -0.174 18531 928 1 4 . 1 1 31 31 LYS H H 31 9.030 9.030 8.141 0.889 18531 929 1 4 . 1 1 32 32 GLN N N 32 119.600 119.600 119.743 -0.143 18531 930 1 4 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.929 0.101 18531 931 1 4 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.438 -0.738 18531 932 1 4 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.639 -0.539 18531 933 1 4 . 1 1 32 32 GLN H H 32 7.510 7.510 8.336 -0.826 18531 934 1 4 . 1 1 33 33 TYR N N 33 120.400 120.400 119.843 0.557 18531 935 1 4 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.143 0.107 18531 936 1 4 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.699 1.101 18531 937 1 4 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.155 0.545 18531 938 1 4 . 1 1 33 33 TYR H H 33 8.080 8.080 7.812 0.268 18531 939 1 4 . 1 1 34 34 ALA N N 34 122.300 122.300 121.425 0.875 18531 940 1 4 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.936 -0.156 18531 941 1 4 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.196 0.904 18531 942 1 4 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.292 -0.592 18531 943 1 4 . 1 1 34 34 ALA H H 34 9.210 9.210 7.986 1.224 18531 944 1 4 . 1 1 35 35 ASN N N 35 117.700 117.700 117.580 0.120 18531 945 1 4 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531 946 1 4 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.667 1.333 18531 947 1 4 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.015 0.985 18531 948 1 4 . 1 1 35 35 ASN H H 35 8.390 8.390 7.976 0.414 18531 949 1 4 . 1 1 36 36 ASP N N 36 121.100 121.100 121.181 -0.081 18531 950 1 4 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.416 -0.056 18531 951 1 4 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.861 -0.161 18531 952 1 4 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.485 -0.485 18531 953 1 4 . 1 1 36 36 ASP H H 36 8.830 8.830 8.435 0.395 18531 954 1 4 . 1 1 37 37 ASN N N 37 115.200 115.200 114.991 0.209 18531 955 1 4 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531 956 1 4 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.690 1.010 18531 957 1 4 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.927 1.073 18531 958 1 4 . 1 1 37 37 ASN H H 37 7.390 7.390 7.448 -0.058 18531 959 1 4 . 1 1 38 38 GLY N N 38 108.200 108.200 108.925 -0.725 18531 960 1 4 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.296 0.104 18531 961 1 4 . 1 1 38 38 GLY H H 38 7.800 7.800 8.201 -0.401 18531 962 1 4 . 1 1 39 39 VAL N N 39 120.800 120.800 119.964 0.836 18531 963 1 4 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.166 -0.026 18531 964 1 4 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.840 -0.140 18531 965 1 4 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.136 0.164 18531 966 1 4 . 1 1 39 39 VAL H H 39 8.120 8.120 7.993 0.127 18531 967 1 4 . 1 1 40 40 ASP N N 40 128.000 128.000 126.947 1.053 18531 968 1 4 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.979 -0.089 18531 969 1 4 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.443 0.357 18531 970 1 4 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.222 -1.122 18531 971 1 4 . 1 1 40 40 ASP H H 40 8.770 8.770 8.299 0.471 18531 972 1 4 . 1 1 41 41 GLY N N 41 107.100 107.100 107.118 -0.018 18531 973 1 4 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.954 0.446 18531 974 1 4 . 1 1 41 41 GLY H H 41 7.910 7.910 8.041 -0.131 18531 975 1 4 . 1 1 42 42 VAL N N 42 120.300 120.300 118.024 2.276 18531 976 1 4 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.602 -0.222 18531 977 1 4 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.312 1.788 18531 978 1 4 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.997 0.403 18531 979 1 4 . 1 1 42 42 VAL H H 42 8.250 8.250 7.630 0.620 18531 980 1 4 . 1 1 43 43 TRP N N 43 130.700 130.700 127.930 2.770 18531 981 1 4 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.070 0.290 18531 982 1 4 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.225 1.375 18531 983 1 4 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.000 -0.800 18531 984 1 4 . 1 1 43 43 TRP H H 43 9.360 9.360 8.544 0.816 18531 985 1 4 . 1 1 44 44 THR N N 44 114.500 114.500 119.854 -5.354 18531 986 1 4 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531 987 1 4 . 1 1 44 44 THR CA C 44 60.300 60.300 61.401 -1.101 18531 988 1 4 . 1 1 44 44 THR CB C 44 72.100 72.100 70.467 1.633 18531 989 1 4 . 1 1 44 44 THR H H 44 9.400 9.400 8.750 0.650 18531 990 1 4 . 1 1 45 45 TYR N N 45 120.100 120.100 125.103 -5.003 18531 991 1 4 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.967 0.003 18531 992 1 4 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.236 -0.236 18531 993 1 4 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.393 1.207 18531 994 1 4 . 1 1 45 45 TYR H H 45 8.580 8.580 8.411 0.169 18531 995 1 4 . 1 1 46 46 ASP N N 46 128.300 128.300 124.465 3.835 18531 996 1 4 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.455 0.125 18531 997 1 4 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.054 -0.154 18531 998 1 4 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.544 -1.444 18531 999 1 4 . 1 1 46 46 ASP H H 46 7.580 7.580 8.472 -0.892 18531 1000 1 4 . 1 1 47 47 ASP N N 47 124.800 124.800 124.383 0.417 18531 1001 1 4 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.565 -0.455 18531 1002 1 4 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.493 0.007 18531 1003 1 4 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.118 0.982 18531 1004 1 4 . 1 1 47 47 ASP H H 47 8.590 8.590 8.393 0.197 18531 1005 1 4 . 1 1 48 48 ALA N N 48 119.700 119.700 122.232 -2.532 18531 1006 1 4 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.183 -0.093 18531 1007 1 4 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.060 0.940 18531 1008 1 4 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.797 -0.496 18531 1009 1 4 . 1 1 48 48 ALA H H 48 8.340 8.340 8.071 0.269 18531 1010 1 4 . 1 1 49 49 THR N N 49 103.200 103.200 112.250 -9.050 18531 1011 1 4 . 1 1 49 49 THR HA H 49 4.390 4.390 4.398 -0.008 18531 1012 1 4 . 1 1 49 49 THR CA C 49 60.200 60.200 61.157 -0.957 18531 1013 1 4 . 1 1 49 49 THR CB C 49 70.000 70.000 70.082 -0.081 18531 1014 1 4 . 1 1 49 49 THR H H 49 7.000 7.000 8.429 -1.429 18531 1015 1 4 . 1 1 50 50 LYS N N 50 123.100 123.100 119.366 3.734 18531 1016 1 4 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.699 -0.509 18531 1017 1 4 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.922 0.678 18531 1018 1 4 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.260 -4.660 18531 1019 1 4 . 1 1 50 50 LYS H H 50 7.860 7.860 8.340 -0.480 18531 1020 1 4 . 1 1 51 51 THR N N 51 111.200 111.200 116.129 -4.929 18531 1021 1 4 . 1 1 51 51 THR HA H 51 5.490 5.490 4.240 1.250 18531 1022 1 4 . 1 1 51 51 THR CA C 51 62.300 62.300 61.380 0.920 18531 1023 1 4 . 1 1 51 51 THR CB C 51 72.100 72.100 69.450 2.650 18531 1024 1 4 . 1 1 51 51 THR H H 51 7.390 7.390 7.790 -0.400 18531 1025 1 4 . 1 1 52 52 PHE N N 52 131.000 131.000 128.504 2.496 18531 1026 1 4 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.220 0.410 18531 1027 1 4 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.930 2.370 18531 1028 1 4 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.723 1.877 18531 1029 1 4 . 1 1 52 52 PHE H H 52 10.390 10.390 8.263 2.127 18531 1030 1 4 . 1 1 53 53 THR N N 53 117.400 117.400 116.600 0.800 18531 1031 1 4 . 1 1 53 53 THR HA H 53 5.270 5.270 5.120 0.150 18531 1032 1 4 . 1 1 53 53 THR CA C 53 61.200 61.200 61.465 -0.265 18531 1033 1 4 . 1 1 53 53 THR CB C 53 71.000 71.000 71.875 -0.875 18531 1034 1 4 . 1 1 53 53 THR H H 53 9.180 9.180 8.898 0.282 18531 1035 1 4 . 1 1 54 54 VAL N N 54 123.000 123.000 124.605 -1.605 18531 1036 1 4 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.498 -0.038 18531 1037 1 4 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.993 -0.894 18531 1038 1 4 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.555 -1.255 18531 1039 1 4 . 1 1 54 54 VAL H H 54 8.280 8.280 8.155 0.125 18531 1040 1 4 . 1 1 55 55 THR N N 55 123.900 123.900 124.730 -0.830 18531 1041 1 4 . 1 1 55 55 THR HA H 55 4.700 4.700 4.827 -0.127 18531 1042 1 4 . 1 1 55 55 THR CA C 55 61.200 61.200 60.847 0.353 18531 1043 1 4 . 1 1 55 55 THR CB C 55 70.700 70.700 70.630 0.070 18531 1044 1 4 . 1 1 55 55 THR H H 55 8.320 8.320 8.121 0.199 18531 1045 1 5 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.716 0.334 18531 1046 1 5 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.188 1.411 18531 1047 1 5 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.173 0.527 18531 1048 1 5 . 1 1 2 2 GLN H H 2 8.410 8.410 8.247 0.163 18531 1049 1 5 . 1 1 3 3 TYR N N 3 124.000 124.000 119.957 4.043 18531 1050 1 5 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.719 0.641 18531 1051 1 5 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.654 1.446 18531 1052 1 5 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.901 2.699 18531 1053 1 5 . 1 1 3 3 TYR H H 3 9.070 9.070 7.704 1.366 18531 1054 1 5 . 1 1 4 4 LYS N N 4 122.500 122.500 119.330 3.170 18531 1055 1 5 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.380 -0.160 18531 1056 1 5 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.076 0.924 18531 1057 1 5 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.809 -0.809 18531 1058 1 5 . 1 1 4 4 LYS H H 4 9.100 9.100 8.848 0.252 18531 1059 1 5 . 1 1 5 5 LEU N N 5 126.400 126.400 125.172 1.228 18531 1060 1 5 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.126 -0.156 18531 1061 1 5 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.026 -1.226 18531 1062 1 5 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.856 -2.256 18531 1063 1 5 . 1 1 5 5 LEU H H 5 8.620 8.620 8.440 0.180 18531 1064 1 5 . 1 1 6 6 VAL N N 6 127.000 127.000 127.503 -0.503 18531 1065 1 5 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.711 -0.551 18531 1066 1 5 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.203 1.097 18531 1067 1 5 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.002 -1.302 18531 1068 1 5 . 1 1 6 6 VAL H H 6 9.190 9.190 9.249 -0.059 18531 1069 1 5 . 1 1 7 7 ILE N N 7 125.400 125.400 126.008 -0.608 18531 1070 1 5 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.459 -0.369 18531 1071 1 5 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.631 0.069 18531 1072 1 5 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.151 0.849 18531 1073 1 5 . 1 1 7 7 ILE H H 7 8.800 8.800 9.104 -0.304 18531 1074 1 5 . 1 1 8 8 ASN N N 8 128.900 128.900 126.436 2.464 18531 1075 1 5 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.870 0.410 18531 1076 1 5 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.387 -1.587 18531 1077 1 5 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.646 -0.546 18531 1078 1 5 . 1 1 8 8 ASN H H 8 8.990 8.990 8.486 0.504 18531 1079 1 5 . 1 1 9 9 GLY N N 9 110.200 110.200 107.328 2.872 18531 1080 1 5 . 1 1 9 9 GLY CA C 9 44.700 44.700 45.124 -0.424 18531 1081 1 5 . 1 1 9 9 GLY H H 9 7.920 7.920 7.587 0.333 18531 1082 1 5 . 1 1 10 10 LYS N N 10 120.700 120.700 119.034 1.666 18531 1083 1 5 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.330 -0.270 18531 1084 1 5 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.512 0.688 18531 1085 1 5 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.359 -0.459 18531 1086 1 5 . 1 1 10 10 LYS H H 10 9.520 9.520 8.573 0.947 18531 1087 1 5 . 1 1 11 11 THR N N 11 108.900 108.900 110.178 -1.278 18531 1088 1 5 . 1 1 11 11 THR HA H 11 4.360 4.360 4.355 0.005 18531 1089 1 5 . 1 1 11 11 THR CA C 11 62.000 62.000 61.806 0.194 18531 1090 1 5 . 1 1 11 11 THR CB C 11 69.800 69.800 69.933 -0.133 18531 1091 1 5 . 1 1 11 11 THR H H 11 8.790 8.790 8.078 0.712 18531 1092 1 5 . 1 1 12 12 LEU N N 12 125.700 125.700 124.564 1.136 18531 1093 1 5 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.290 0.150 18531 1094 1 5 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.388 -0.388 18531 1095 1 5 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.471 0.829 18531 1096 1 5 . 1 1 12 12 LEU H H 12 7.580 7.580 8.143 -0.563 18531 1097 1 5 . 1 1 13 13 LYS N N 13 123.500 123.500 123.762 -0.262 18531 1098 1 5 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.447 -0.327 18531 1099 1 5 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.756 -0.856 18531 1100 1 5 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.948 -1.148 18531 1101 1 5 . 1 1 13 13 LYS H H 13 8.140 8.140 8.229 -0.089 18531 1102 1 5 . 1 1 14 14 GLY N N 14 109.100 109.100 110.053 -0.953 18531 1103 1 5 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.881 -0.681 18531 1104 1 5 . 1 1 14 14 GLY H H 14 8.340 8.340 8.039 0.301 18531 1105 1 5 . 1 1 15 15 GLU N N 15 118.200 118.200 118.910 -0.710 18531 1106 1 5 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.633 -0.033 18531 1107 1 5 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.646 -0.146 18531 1108 1 5 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.856 -0.056 18531 1109 1 5 . 1 1 15 15 GLU H H 15 8.390 8.390 8.324 0.066 18531 1110 1 5 . 1 1 16 16 THR N N 16 115.600 115.600 113.943 1.657 18531 1111 1 5 . 1 1 16 16 THR HA H 16 4.730 4.730 4.689 0.041 18531 1112 1 5 . 1 1 16 16 THR CA C 16 60.600 60.600 60.818 -0.218 18531 1113 1 5 . 1 1 16 16 THR CB C 16 69.500 69.500 69.958 -0.458 18531 1114 1 5 . 1 1 16 16 THR H H 16 8.820 8.820 8.455 0.365 18531 1115 1 5 . 1 1 17 17 THR N N 17 111.800 111.800 113.567 -1.767 18531 1116 1 5 . 1 1 17 17 THR HA H 17 5.790 5.790 5.701 0.089 18531 1117 1 5 . 1 1 17 17 THR CA C 17 59.800 59.800 60.337 -0.537 18531 1118 1 5 . 1 1 17 17 THR CB C 17 73.100 73.100 72.280 0.820 18531 1119 1 5 . 1 1 17 17 THR H H 17 8.140 8.140 8.191 -0.051 18531 1120 1 5 . 1 1 18 18 THR N N 18 115.100 115.100 113.374 1.726 18531 1121 1 5 . 1 1 18 18 THR HA H 18 4.640 4.640 4.462 0.178 18531 1122 1 5 . 1 1 18 18 THR CA C 18 61.900 61.900 61.260 0.640 18531 1123 1 5 . 1 1 18 18 THR CB C 18 70.000 70.000 69.559 0.441 18531 1124 1 5 . 1 1 18 18 THR H H 18 8.930 8.930 8.236 0.694 18531 1125 1 5 . 1 1 19 19 LYS N N 19 124.300 124.300 120.327 3.973 18531 1126 1 5 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.435 0.895 18531 1127 1 5 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.763 -0.763 18531 1128 1 5 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.805 -0.005 18531 1129 1 5 . 1 1 19 19 LYS H H 19 7.950 7.950 8.239 -0.289 18531 1130 1 5 . 1 1 20 20 ALA N N 20 124.600 124.600 126.402 -1.802 18531 1131 1 5 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.622 0.158 18531 1132 1 5 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.535 -0.635 18531 1133 1 5 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.875 2.925 18531 1134 1 5 . 1 1 20 20 ALA H H 20 9.110 9.110 8.247 0.863 18531 1135 1 5 . 1 1 21 21 VAL N N 21 115.300 115.300 115.875 -0.575 18531 1136 1 5 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.153 -0.043 18531 1137 1 5 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.722 0.578 18531 1138 1 5 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.310 0.890 18531 1139 1 5 . 1 1 21 21 VAL H H 21 8.480 8.480 8.171 0.309 18531 1140 1 5 . 1 1 22 22 ASP N N 22 115.200 115.200 113.774 1.426 18531 1141 1 5 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.673 0.037 18531 1142 1 5 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.504 -1.104 18531 1143 1 5 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.638 0.562 18531 1144 1 5 . 1 1 22 22 ASP H H 22 7.310 7.310 7.675 -0.365 18531 1145 1 5 . 1 1 23 23 ALA N N 23 121.000 121.000 123.326 -2.326 18531 1146 1 5 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.663 -0.323 18531 1147 1 5 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.964 -0.064 18531 1148 1 5 . 1 1 23 23 ALA CB C 23 17.500 17.500 17.931 -0.431 18531 1149 1 5 . 1 1 23 23 ALA H H 23 8.370 8.370 8.649 -0.279 18531 1150 1 5 . 1 1 24 24 GLU N N 24 118.900 118.900 118.269 0.631 18531 1151 1 5 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.119 -0.259 18531 1152 1 5 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.015 0.685 18531 1153 1 5 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.032 0.068 18531 1154 1 5 . 1 1 24 24 GLU H H 24 8.410 8.410 8.417 -0.007 18531 1155 1 5 . 1 1 25 25 THR N N 25 117.400 117.400 115.854 1.546 18531 1156 1 5 . 1 1 25 25 THR HA H 25 3.670 3.670 4.145 -0.475 18531 1157 1 5 . 1 1 25 25 THR CA C 25 66.800 66.800 65.412 1.388 18531 1158 1 5 . 1 1 25 25 THR CB C 25 68.000 68.000 69.016 -1.016 18531 1159 1 5 . 1 1 25 25 THR H H 25 8.380 8.380 8.003 0.377 18531 1160 1 5 . 1 1 26 26 ALA N N 26 125.100 125.100 124.116 0.984 18531 1161 1 5 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.087 -0.897 18531 1162 1 5 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.448 0.552 18531 1163 1 5 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.575 -1.275 18531 1164 1 5 . 1 1 26 26 ALA H H 26 7.220 7.220 8.382 -1.162 18531 1165 1 5 . 1 1 27 27 GLU N N 27 117.400 117.400 119.417 -2.017 18531 1166 1 5 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.931 -1.341 18531 1167 1 5 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.725 -0.025 18531 1168 1 5 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.341 -0.141 18531 1169 1 5 . 1 1 27 27 GLU H H 27 8.370 8.370 8.448 -0.078 18531 1170 1 5 . 1 1 28 28 LYS N N 28 116.300 116.300 118.714 -2.414 18531 1171 1 5 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.844 -0.174 18531 1172 1 5 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.433 0.167 18531 1173 1 5 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.876 0.324 18531 1174 1 5 . 1 1 28 28 LYS H H 28 7.170 7.170 7.561 -0.391 18531 1175 1 5 . 1 1 29 29 ALA N N 29 122.000 122.000 120.459 1.541 18531 1176 1 5 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.115 -0.025 18531 1177 1 5 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.755 -0.055 18531 1178 1 5 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.131 -0.631 18531 1179 1 5 . 1 1 29 29 ALA H H 29 7.200 7.200 7.676 -0.476 18531 1180 1 5 . 1 1 30 30 PHE N N 30 119.600 119.600 117.562 2.038 18531 1181 1 5 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.535 0.245 18531 1182 1 5 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.748 -3.148 18531 1183 1 5 . 1 1 30 30 PHE CB C 30 37.400 37.400 39.028 -1.628 18531 1184 1 5 . 1 1 30 30 PHE H H 30 8.610 8.610 7.624 0.986 18531 1185 1 5 . 1 1 31 31 LYS N N 31 122.800 122.800 119.886 2.914 18531 1186 1 5 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.681 0.409 18531 1187 1 5 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.439 0.261 18531 1188 1 5 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.852 -0.252 18531 1189 1 5 . 1 1 31 31 LYS H H 31 9.030 9.030 8.331 0.699 18531 1190 1 5 . 1 1 32 32 GLN N N 32 119.600 119.600 119.981 -0.381 18531 1191 1 5 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.042 -0.012 18531 1192 1 5 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.478 -0.778 18531 1193 1 5 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.521 -0.421 18531 1194 1 5 . 1 1 32 32 GLN H H 32 7.510 7.510 8.650 -1.140 18531 1195 1 5 . 1 1 33 33 TYR N N 33 120.400 120.400 120.750 -0.350 18531 1196 1 5 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.198 0.052 18531 1197 1 5 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.273 0.527 18531 1198 1 5 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.318 0.382 18531 1199 1 5 . 1 1 33 33 TYR H H 33 8.080 8.080 7.776 0.304 18531 1200 1 5 . 1 1 34 34 ALA N N 34 122.300 122.300 121.123 1.177 18531 1201 1 5 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.950 -0.170 18531 1202 1 5 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.842 1.258 18531 1203 1 5 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.755 -1.055 18531 1204 1 5 . 1 1 34 34 ALA H H 34 9.210 9.210 7.625 1.585 18531 1205 1 5 . 1 1 35 35 ASN N N 35 117.700 117.700 118.798 -1.098 18531 1206 1 5 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.473 -0.013 18531 1207 1 5 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.894 1.106 18531 1208 1 5 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.036 0.964 18531 1209 1 5 . 1 1 35 35 ASN H H 35 8.390 8.390 8.572 -0.182 18531 1210 1 5 . 1 1 36 36 ASP N N 36 121.100 121.100 120.724 0.376 18531 1211 1 5 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.458 -0.098 18531 1212 1 5 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.765 -0.065 18531 1213 1 5 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.499 -0.499 18531 1214 1 5 . 1 1 36 36 ASP H H 36 8.830 8.830 8.767 0.063 18531 1215 1 5 . 1 1 37 37 ASN N N 37 115.200 115.200 115.833 -0.633 18531 1216 1 5 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.789 -0.179 18531 1217 1 5 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.493 1.206 18531 1218 1 5 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.151 0.849 18531 1219 1 5 . 1 1 37 37 ASN H H 37 7.390 7.390 7.845 -0.455 18531 1220 1 5 . 1 1 38 38 GLY N N 38 108.200 108.200 110.190 -1.990 18531 1221 1 5 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.133 1.267 18531 1222 1 5 . 1 1 38 38 GLY H H 38 7.800 7.800 8.228 -0.428 18531 1223 1 5 . 1 1 39 39 VAL N N 39 120.800 120.800 118.921 1.879 18531 1224 1 5 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.881 0.259 18531 1225 1 5 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.602 -0.902 18531 1226 1 5 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.370 1.930 18531 1227 1 5 . 1 1 39 39 VAL H H 39 8.120 8.120 8.202 -0.082 18531 1228 1 5 . 1 1 40 40 ASP N N 40 128.000 128.000 125.387 2.613 18531 1229 1 5 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.858 0.032 18531 1230 1 5 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.855 -1.055 18531 1231 1 5 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.560 -0.460 18531 1232 1 5 . 1 1 40 40 ASP H H 40 8.770 8.770 8.187 0.583 18531 1233 1 5 . 1 1 41 41 GLY N N 41 107.100 107.100 109.377 -2.277 18531 1234 1 5 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.310 1.090 18531 1235 1 5 . 1 1 41 41 GLY H H 41 7.910 7.910 7.932 -0.022 18531 1236 1 5 . 1 1 42 42 VAL N N 42 120.300 120.300 117.848 2.452 18531 1237 1 5 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.463 -0.083 18531 1238 1 5 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.103 0.996 18531 1239 1 5 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.080 0.320 18531 1240 1 5 . 1 1 42 42 VAL H H 42 8.250 8.250 7.948 0.302 18531 1241 1 5 . 1 1 43 43 TRP N N 43 130.700 130.700 127.416 3.284 18531 1242 1 5 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.956 0.404 18531 1243 1 5 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.677 0.923 18531 1244 1 5 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.350 -0.150 18531 1245 1 5 . 1 1 43 43 TRP H H 43 9.360 9.360 8.494 0.866 18531 1246 1 5 . 1 1 44 44 THR N N 44 114.500 114.500 118.329 -3.829 18531 1247 1 5 . 1 1 44 44 THR HA H 44 4.830 4.830 4.619 0.211 18531 1248 1 5 . 1 1 44 44 THR CA C 44 60.300 60.300 61.112 -0.812 18531 1249 1 5 . 1 1 44 44 THR CB C 44 72.100 72.100 70.398 1.702 18531 1250 1 5 . 1 1 44 44 THR H H 44 9.400 9.400 8.700 0.700 18531 1251 1 5 . 1 1 45 45 TYR N N 45 120.100 120.100 125.667 -5.567 18531 1252 1 5 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.793 0.177 18531 1253 1 5 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.343 -0.343 18531 1254 1 5 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.461 1.139 18531 1255 1 5 . 1 1 45 45 TYR H H 45 8.580 8.580 8.365 0.215 18531 1256 1 5 . 1 1 46 46 ASP N N 46 128.300 128.300 124.833 3.467 18531 1257 1 5 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.419 0.161 18531 1258 1 5 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.918 -0.018 18531 1259 1 5 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.548 -1.448 18531 1260 1 5 . 1 1 46 46 ASP H H 46 7.580 7.580 8.488 -0.908 18531 1261 1 5 . 1 1 47 47 ASP N N 47 124.800 124.800 123.797 1.003 18531 1262 1 5 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.482 -0.372 18531 1263 1 5 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.151 0.349 18531 1264 1 5 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.164 0.935 18531 1265 1 5 . 1 1 47 47 ASP H H 47 8.590 8.590 8.408 0.182 18531 1266 1 5 . 1 1 48 48 ALA N N 48 119.700 119.700 121.748 -2.048 18531 1267 1 5 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.178 -0.088 18531 1268 1 5 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.914 1.086 18531 1269 1 5 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.804 -0.504 18531 1270 1 5 . 1 1 48 48 ALA H H 48 8.340 8.340 7.872 0.468 18531 1271 1 5 . 1 1 49 49 THR N N 49 103.200 103.200 111.286 -8.086 18531 1272 1 5 . 1 1 49 49 THR HA H 49 4.390 4.390 4.428 -0.037 18531 1273 1 5 . 1 1 49 49 THR CA C 49 60.200 60.200 60.543 -0.343 18531 1274 1 5 . 1 1 49 49 THR CB C 49 70.000 70.000 69.642 0.358 18531 1275 1 5 . 1 1 49 49 THR H H 49 7.000 7.000 8.198 -1.198 18531 1276 1 5 . 1 1 50 50 LYS N N 50 123.100 123.100 120.970 2.130 18531 1277 1 5 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.604 -0.414 18531 1278 1 5 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.270 1.330 18531 1279 1 5 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.057 -4.457 18531 1280 1 5 . 1 1 50 50 LYS H H 50 7.860 7.860 8.364 -0.504 18531 1281 1 5 . 1 1 51 51 THR N N 51 111.200 111.200 117.185 -5.985 18531 1282 1 5 . 1 1 51 51 THR HA H 51 5.490 5.490 4.498 0.992 18531 1283 1 5 . 1 1 51 51 THR CA C 51 62.300 62.300 61.837 0.463 18531 1284 1 5 . 1 1 51 51 THR CB C 51 72.100 72.100 69.209 2.891 18531 1285 1 5 . 1 1 51 51 THR H H 51 7.390 7.390 7.487 -0.097 18531 1286 1 5 . 1 1 52 52 PHE N N 52 131.000 131.000 128.285 2.715 18531 1287 1 5 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.114 0.516 18531 1288 1 5 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.866 2.434 18531 1289 1 5 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.951 1.649 18531 1290 1 5 . 1 1 52 52 PHE H H 52 10.390 10.390 8.408 1.982 18531 1291 1 5 . 1 1 53 53 THR N N 53 117.400 117.400 116.868 0.532 18531 1292 1 5 . 1 1 53 53 THR HA H 53 5.270 5.270 5.191 0.079 18531 1293 1 5 . 1 1 53 53 THR CA C 53 61.200 61.200 61.619 -0.419 18531 1294 1 5 . 1 1 53 53 THR CB C 53 71.000 71.000 71.737 -0.737 18531 1295 1 5 . 1 1 53 53 THR H H 53 9.180 9.180 8.743 0.437 18531 1296 1 5 . 1 1 54 54 VAL N N 54 123.000 123.000 124.942 -1.942 18531 1297 1 5 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.502 -0.042 18531 1298 1 5 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.134 -1.034 18531 1299 1 5 . 1 1 54 54 VAL CB C 54 32.300 32.300 35.225 -2.925 18531 1300 1 5 . 1 1 54 54 VAL H H 54 8.280 8.280 8.586 -0.306 18531 1301 1 5 . 1 1 55 55 THR N N 55 123.900 123.900 117.982 5.918 18531 1302 1 5 . 1 1 55 55 THR HA H 55 4.700 4.700 4.632 0.068 18531 1303 1 5 . 1 1 55 55 THR CA C 55 61.200 61.200 59.458 1.742 18531 1304 1 5 . 1 1 55 55 THR CB C 55 70.700 70.700 70.891 -0.191 18531 1305 1 5 . 1 1 55 55 THR H H 55 8.320 8.320 8.150 0.170 18531 1306 1 6 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.318 0.732 18531 1307 1 6 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.074 0.526 18531 1308 1 6 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.129 -0.429 18531 1309 1 6 . 1 1 2 2 GLN H H 2 8.410 8.410 8.202 0.208 18531 1310 1 6 . 1 1 3 3 TYR N N 3 124.000 124.000 122.229 1.771 18531 1311 1 6 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.069 0.291 18531 1312 1 6 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.105 0.995 18531 1313 1 6 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.489 2.111 18531 1314 1 6 . 1 1 3 3 TYR H H 3 9.070 9.070 8.193 0.877 18531 1315 1 6 . 1 1 4 4 LYS N N 4 122.500 122.500 119.523 2.977 18531 1316 1 6 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.189 0.031 18531 1317 1 6 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.363 0.637 18531 1318 1 6 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.635 -0.635 18531 1319 1 6 . 1 1 4 4 LYS H H 4 9.100 9.100 9.226 -0.126 18531 1320 1 6 . 1 1 5 5 LEU N N 5 126.400 126.400 125.773 0.627 18531 1321 1 6 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.116 -0.146 18531 1322 1 6 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.263 -1.463 18531 1323 1 6 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.079 -2.479 18531 1324 1 6 . 1 1 5 5 LEU H H 5 8.620 8.620 8.635 -0.015 18531 1325 1 6 . 1 1 6 6 VAL N N 6 127.000 127.000 126.746 0.254 18531 1326 1 6 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.649 -0.489 18531 1327 1 6 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.167 1.133 18531 1328 1 6 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.953 -1.253 18531 1329 1 6 . 1 1 6 6 VAL H H 6 9.190 9.190 9.140 0.050 18531 1330 1 6 . 1 1 7 7 ILE N N 7 125.400 125.400 126.280 -0.880 18531 1331 1 6 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.308 -0.218 18531 1332 1 6 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.525 0.175 18531 1333 1 6 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.018 0.982 18531 1334 1 6 . 1 1 7 7 ILE H H 7 8.800 8.800 9.076 -0.276 18531 1335 1 6 . 1 1 8 8 ASN N N 8 128.900 128.900 127.100 1.800 18531 1336 1 6 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.843 0.437 18531 1337 1 6 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.475 -1.675 18531 1338 1 6 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.033 0.067 18531 1339 1 6 . 1 1 8 8 ASN H H 8 8.990 8.990 8.310 0.680 18531 1340 1 6 . 1 1 9 9 GLY N N 9 110.200 110.200 107.433 2.767 18531 1341 1 6 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.906 0.794 18531 1342 1 6 . 1 1 9 9 GLY H H 9 7.920 7.920 7.564 0.356 18531 1343 1 6 . 1 1 10 10 LYS N N 10 120.700 120.700 119.176 1.524 18531 1344 1 6 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.326 -0.266 18531 1345 1 6 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.094 0.106 18531 1346 1 6 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.022 -0.122 18531 1347 1 6 . 1 1 10 10 LYS H H 10 9.520 9.520 8.654 0.866 18531 1348 1 6 . 1 1 11 11 THR N N 11 108.900 108.900 109.160 -0.260 18531 1349 1 6 . 1 1 11 11 THR HA H 11 4.360 4.360 4.313 0.047 18531 1350 1 6 . 1 1 11 11 THR CA C 11 62.000 62.000 61.543 0.457 18531 1351 1 6 . 1 1 11 11 THR CB C 11 69.800 69.800 69.724 0.076 18531 1352 1 6 . 1 1 11 11 THR H H 11 8.790 8.790 7.832 0.958 18531 1353 1 6 . 1 1 12 12 LEU N N 12 125.700 125.700 124.448 1.252 18531 1354 1 6 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.370 0.070 18531 1355 1 6 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.860 0.140 18531 1356 1 6 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.398 0.902 18531 1357 1 6 . 1 1 12 12 LEU H H 12 7.580 7.580 7.887 -0.307 18531 1358 1 6 . 1 1 13 13 LYS N N 13 123.500 123.500 123.949 -0.449 18531 1359 1 6 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.362 -0.242 18531 1360 1 6 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.845 -0.945 18531 1361 1 6 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.856 -1.056 18531 1362 1 6 . 1 1 13 13 LYS H H 13 8.140 8.140 8.336 -0.196 18531 1363 1 6 . 1 1 14 14 GLY N N 14 109.100 109.100 109.891 -0.791 18531 1364 1 6 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.546 -0.346 18531 1365 1 6 . 1 1 14 14 GLY H H 14 8.340 8.340 8.082 0.258 18531 1366 1 6 . 1 1 15 15 GLU N N 15 118.200 118.200 119.520 -1.320 18531 1367 1 6 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.581 0.019 18531 1368 1 6 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.761 -0.261 18531 1369 1 6 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.853 -0.053 18531 1370 1 6 . 1 1 15 15 GLU H H 15 8.390 8.390 8.500 -0.110 18531 1371 1 6 . 1 1 16 16 THR N N 16 115.600 115.600 112.454 3.146 18531 1372 1 6 . 1 1 16 16 THR HA H 16 4.730 4.730 4.675 0.055 18531 1373 1 6 . 1 1 16 16 THR CA C 16 60.600 60.600 60.976 -0.376 18531 1374 1 6 . 1 1 16 16 THR CB C 16 69.500 69.500 71.138 -1.639 18531 1375 1 6 . 1 1 16 16 THR H H 16 8.820 8.820 8.568 0.252 18531 1376 1 6 . 1 1 17 17 THR N N 17 111.800 111.800 110.295 1.505 18531 1377 1 6 . 1 1 17 17 THR HA H 17 5.790 5.790 5.120 0.670 18531 1378 1 6 . 1 1 17 17 THR CA C 17 59.800 59.800 60.310 -0.510 18531 1379 1 6 . 1 1 17 17 THR CB C 17 73.100 73.100 71.709 1.391 18531 1380 1 6 . 1 1 17 17 THR H H 17 8.140 8.140 8.210 -0.070 18531 1381 1 6 . 1 1 18 18 THR N N 18 115.100 115.100 113.805 1.295 18531 1382 1 6 . 1 1 18 18 THR HA H 18 4.640 4.640 4.417 0.223 18531 1383 1 6 . 1 1 18 18 THR CA C 18 61.900 61.900 61.607 0.293 18531 1384 1 6 . 1 1 18 18 THR CB C 18 70.000 70.000 69.651 0.349 18531 1385 1 6 . 1 1 18 18 THR H H 18 8.930 8.930 8.549 0.381 18531 1386 1 6 . 1 1 19 19 LYS N N 19 124.300 124.300 120.115 4.185 18531 1387 1 6 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.392 0.938 18531 1388 1 6 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.710 -0.710 18531 1389 1 6 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.801 -0.001 18531 1390 1 6 . 1 1 19 19 LYS H H 19 7.950 7.950 8.171 -0.221 18531 1391 1 6 . 1 1 20 20 ALA N N 20 124.600 124.600 126.157 -1.557 18531 1392 1 6 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.592 0.188 18531 1393 1 6 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.038 -0.138 18531 1394 1 6 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.582 2.218 18531 1395 1 6 . 1 1 20 20 ALA H H 20 9.110 9.110 8.140 0.970 18531 1396 1 6 . 1 1 21 21 VAL N N 21 115.300 115.300 119.814 -4.514 18531 1397 1 6 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.864 0.246 18531 1398 1 6 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.526 -1.226 18531 1399 1 6 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.025 1.175 18531 1400 1 6 . 1 1 21 21 VAL H H 21 8.480 8.480 8.667 -0.187 18531 1401 1 6 . 1 1 22 22 ASP N N 22 115.200 115.200 113.189 2.011 18531 1402 1 6 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.722 -0.012 18531 1403 1 6 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.651 -0.251 18531 1404 1 6 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.516 0.684 18531 1405 1 6 . 1 1 22 22 ASP H H 22 7.310 7.310 7.688 -0.378 18531 1406 1 6 . 1 1 23 23 ALA N N 23 121.000 121.000 122.675 -1.675 18531 1407 1 6 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.694 -0.354 18531 1408 1 6 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.094 -0.194 18531 1409 1 6 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.426 -0.926 18531 1410 1 6 . 1 1 23 23 ALA H H 23 8.370 8.370 8.648 -0.278 18531 1411 1 6 . 1 1 24 24 GLU N N 24 118.900 118.900 119.662 -0.762 18531 1412 1 6 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.942 -0.082 18531 1413 1 6 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.585 0.115 18531 1414 1 6 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.074 0.026 18531 1415 1 6 . 1 1 24 24 GLU H H 24 8.410 8.410 8.437 -0.027 18531 1416 1 6 . 1 1 25 25 THR N N 25 117.400 117.400 113.594 3.806 18531 1417 1 6 . 1 1 25 25 THR HA H 25 3.670 3.670 4.156 -0.486 18531 1418 1 6 . 1 1 25 25 THR CA C 25 66.800 66.800 64.530 2.270 18531 1419 1 6 . 1 1 25 25 THR CB C 25 68.000 68.000 68.746 -0.746 18531 1420 1 6 . 1 1 25 25 THR H H 25 8.380 8.380 8.033 0.347 18531 1421 1 6 . 1 1 26 26 ALA N N 26 125.100 125.100 124.442 0.658 18531 1422 1 6 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.816 -0.626 18531 1423 1 6 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.817 0.183 18531 1424 1 6 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.149 -0.849 18531 1425 1 6 . 1 1 26 26 ALA H H 26 7.220 7.220 8.271 -1.051 18531 1426 1 6 . 1 1 27 27 GLU N N 27 117.400 117.400 118.821 -1.421 18531 1427 1 6 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.722 -1.132 18531 1428 1 6 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.542 0.158 18531 1429 1 6 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.370 -0.171 18531 1430 1 6 . 1 1 27 27 GLU H H 27 8.370 8.370 8.362 0.008 18531 1431 1 6 . 1 1 28 28 LYS N N 28 116.300 116.300 119.085 -2.785 18531 1432 1 6 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.805 -0.135 18531 1433 1 6 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.652 -0.052 18531 1434 1 6 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.080 0.120 18531 1435 1 6 . 1 1 28 28 LYS H H 28 7.170 7.170 7.422 -0.252 18531 1436 1 6 . 1 1 29 29 ALA N N 29 122.000 122.000 121.596 0.404 18531 1437 1 6 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.993 0.097 18531 1438 1 6 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.815 -0.115 18531 1439 1 6 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.172 -0.672 18531 1440 1 6 . 1 1 29 29 ALA H H 29 7.200 7.200 7.341 -0.141 18531 1441 1 6 . 1 1 30 30 PHE N N 30 119.600 119.600 116.961 2.639 18531 1442 1 6 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.329 0.451 18531 1443 1 6 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.025 -3.425 18531 1444 1 6 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.482 -1.082 18531 1445 1 6 . 1 1 30 30 PHE H H 30 8.610 8.610 7.481 1.129 18531 1446 1 6 . 1 1 31 31 LYS N N 31 122.800 122.800 119.452 3.348 18531 1447 1 6 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.998 0.092 18531 1448 1 6 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.191 0.509 18531 1449 1 6 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.134 -0.534 18531 1450 1 6 . 1 1 31 31 LYS H H 31 9.030 9.030 8.154 0.876 18531 1451 1 6 . 1 1 32 32 GLN N N 32 119.600 119.600 120.006 -0.406 18531 1452 1 6 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.971 0.059 18531 1453 1 6 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.397 -0.697 18531 1454 1 6 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.514 -0.414 18531 1455 1 6 . 1 1 32 32 GLN H H 32 7.510 7.510 8.621 -1.111 18531 1456 1 6 . 1 1 33 33 TYR N N 33 120.400 120.400 120.019 0.381 18531 1457 1 6 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.545 -0.295 18531 1458 1 6 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.679 1.121 18531 1459 1 6 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.273 0.427 18531 1460 1 6 . 1 1 33 33 TYR H H 33 8.080 8.080 7.802 0.278 18531 1461 1 6 . 1 1 34 34 ALA N N 34 122.300 122.300 121.409 0.891 18531 1462 1 6 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.011 -0.231 18531 1463 1 6 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.270 0.829 18531 1464 1 6 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.528 -0.828 18531 1465 1 6 . 1 1 34 34 ALA H H 34 9.210 9.210 7.549 1.661 18531 1466 1 6 . 1 1 35 35 ASN N N 35 117.700 117.700 117.373 0.327 18531 1467 1 6 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.464 -0.004 18531 1468 1 6 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.771 1.229 18531 1469 1 6 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.007 0.993 18531 1470 1 6 . 1 1 35 35 ASN H H 35 8.390 8.390 8.012 0.378 18531 1471 1 6 . 1 1 36 36 ASP N N 36 121.100 121.100 121.210 -0.110 18531 1472 1 6 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.374 -0.014 18531 1473 1 6 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.908 -0.208 18531 1474 1 6 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.230 -0.230 18531 1475 1 6 . 1 1 36 36 ASP H H 36 8.830 8.830 8.075 0.754 18531 1476 1 6 . 1 1 37 37 ASN N N 37 115.200 115.200 115.203 -0.003 18531 1477 1 6 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.848 -0.238 18531 1478 1 6 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.438 1.262 18531 1479 1 6 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.505 1.495 18531 1480 1 6 . 1 1 37 37 ASN H H 37 7.390 7.390 7.445 -0.055 18531 1481 1 6 . 1 1 38 38 GLY N N 38 108.200 108.200 108.512 -0.312 18531 1482 1 6 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.197 0.203 18531 1483 1 6 . 1 1 38 38 GLY H H 38 7.800 7.800 8.168 -0.368 18531 1484 1 6 . 1 1 39 39 VAL N N 39 120.800 120.800 119.636 1.164 18531 1485 1 6 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.035 0.105 18531 1486 1 6 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.428 -0.728 18531 1487 1 6 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.645 1.655 18531 1488 1 6 . 1 1 39 39 VAL H H 39 8.120 8.120 8.164 -0.044 18531 1489 1 6 . 1 1 40 40 ASP N N 40 128.000 128.000 127.671 0.329 18531 1490 1 6 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.791 0.099 18531 1491 1 6 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.423 0.377 18531 1492 1 6 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.360 -1.260 18531 1493 1 6 . 1 1 40 40 ASP H H 40 8.770 8.770 8.349 0.421 18531 1494 1 6 . 1 1 41 41 GLY N N 41 107.100 107.100 107.745 -0.645 18531 1495 1 6 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.008 0.393 18531 1496 1 6 . 1 1 41 41 GLY H H 41 7.910 7.910 8.060 -0.150 18531 1497 1 6 . 1 1 42 42 VAL N N 42 120.300 120.300 118.032 2.268 18531 1498 1 6 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.537 -0.157 18531 1499 1 6 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.424 0.676 18531 1500 1 6 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.372 0.028 18531 1501 1 6 . 1 1 42 42 VAL H H 42 8.250 8.250 7.490 0.760 18531 1502 1 6 . 1 1 43 43 TRP N N 43 130.700 130.700 127.650 3.050 18531 1503 1 6 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.032 0.328 18531 1504 1 6 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.343 1.257 18531 1505 1 6 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.715 0.485 18531 1506 1 6 . 1 1 43 43 TRP H H 43 9.360 9.360 8.663 0.697 18531 1507 1 6 . 1 1 44 44 THR N N 44 114.500 114.500 118.353 -3.853 18531 1508 1 6 . 1 1 44 44 THR HA H 44 4.830 4.830 4.841 -0.011 18531 1509 1 6 . 1 1 44 44 THR CA C 44 60.300 60.300 61.687 -1.387 18531 1510 1 6 . 1 1 44 44 THR CB C 44 72.100 72.100 70.138 1.962 18531 1511 1 6 . 1 1 44 44 THR H H 44 9.400 9.400 8.450 0.950 18531 1512 1 6 . 1 1 45 45 TYR N N 45 120.100 120.100 125.816 -5.716 18531 1513 1 6 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.768 0.203 18531 1514 1 6 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.364 0.636 18531 1515 1 6 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.959 1.641 18531 1516 1 6 . 1 1 45 45 TYR H H 45 8.580 8.580 8.299 0.281 18531 1517 1 6 . 1 1 46 46 ASP N N 46 128.300 128.300 122.773 5.527 18531 1518 1 6 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.453 0.127 18531 1519 1 6 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.104 -0.204 18531 1520 1 6 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.314 -1.214 18531 1521 1 6 . 1 1 46 46 ASP H H 46 7.580 7.580 8.325 -0.745 18531 1522 1 6 . 1 1 47 47 ASP N N 47 124.800 124.800 122.779 2.021 18531 1523 1 6 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.409 -0.299 18531 1524 1 6 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.623 -0.123 18531 1525 1 6 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.114 0.986 18531 1526 1 6 . 1 1 47 47 ASP H H 47 8.590 8.590 8.435 0.155 18531 1527 1 6 . 1 1 48 48 ALA N N 48 119.700 119.700 121.201 -1.501 18531 1528 1 6 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.085 0.005 18531 1529 1 6 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.164 0.836 18531 1530 1 6 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.026 -0.726 18531 1531 1 6 . 1 1 48 48 ALA H H 48 8.340 8.340 8.458 -0.118 18531 1532 1 6 . 1 1 49 49 THR N N 49 103.200 103.200 111.022 -7.822 18531 1533 1 6 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531 1534 1 6 . 1 1 49 49 THR CA C 49 60.200 60.200 60.392 -0.192 18531 1535 1 6 . 1 1 49 49 THR CB C 49 70.000 70.000 70.622 -0.622 18531 1536 1 6 . 1 1 49 49 THR H H 49 7.000 7.000 7.660 -0.660 18531 1537 1 6 . 1 1 50 50 LYS N N 50 123.100 123.100 118.868 4.232 18531 1538 1 6 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.622 -0.432 18531 1539 1 6 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.834 0.766 18531 1540 1 6 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.442 -4.842 18531 1541 1 6 . 1 1 50 50 LYS H H 50 7.860 7.860 8.359 -0.499 18531 1542 1 6 . 1 1 51 51 THR N N 51 111.200 111.200 116.185 -4.985 18531 1543 1 6 . 1 1 51 51 THR HA H 51 5.490 5.490 5.099 0.391 18531 1544 1 6 . 1 1 51 51 THR CA C 51 62.300 62.300 60.855 1.445 18531 1545 1 6 . 1 1 51 51 THR CB C 51 72.100 72.100 69.824 2.276 18531 1546 1 6 . 1 1 51 51 THR H H 51 7.390 7.390 7.822 -0.432 18531 1547 1 6 . 1 1 52 52 PHE N N 52 131.000 131.000 128.341 2.659 18531 1548 1 6 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.834 0.796 18531 1549 1 6 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.013 1.287 18531 1550 1 6 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.125 1.475 18531 1551 1 6 . 1 1 52 52 PHE H H 52 10.390 10.390 9.341 1.049 18531 1552 1 6 . 1 1 53 53 THR N N 53 117.400 117.400 120.749 -3.349 18531 1553 1 6 . 1 1 53 53 THR HA H 53 5.270 5.270 4.951 0.319 18531 1554 1 6 . 1 1 53 53 THR CA C 53 61.200 61.200 61.823 -0.623 18531 1555 1 6 . 1 1 53 53 THR CB C 53 71.000 71.000 70.264 0.736 18531 1556 1 6 . 1 1 53 53 THR H H 53 9.180 9.180 8.503 0.677 18531 1557 1 6 . 1 1 54 54 VAL N N 54 123.000 123.000 127.617 -4.617 18531 1558 1 6 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.578 -0.118 18531 1559 1 6 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.072 -0.972 18531 1560 1 6 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.334 -2.034 18531 1561 1 6 . 1 1 54 54 VAL H H 54 8.280 8.280 8.377 -0.097 18531 1562 1 6 . 1 1 55 55 THR N N 55 123.900 123.900 125.396 -1.496 18531 1563 1 6 . 1 1 55 55 THR HA H 55 4.700 4.700 4.854 -0.154 18531 1564 1 6 . 1 1 55 55 THR CA C 55 61.200 61.200 61.320 -0.120 18531 1565 1 6 . 1 1 55 55 THR CB C 55 70.700 70.700 69.948 0.752 18531 1566 1 6 . 1 1 55 55 THR H H 55 8.320 8.320 8.221 0.099 18531 1567 1 7 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.010 1.040 18531 1568 1 7 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.989 -0.389 18531 1569 1 7 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.623 2.077 18531 1570 1 7 . 1 1 2 2 GLN H H 2 8.410 8.410 8.126 0.284 18531 1571 1 7 . 1 1 3 3 TYR N N 3 124.000 124.000 121.402 2.598 18531 1572 1 7 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.160 0.200 18531 1573 1 7 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.730 0.370 18531 1574 1 7 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.767 0.833 18531 1575 1 7 . 1 1 3 3 TYR H H 3 9.070 9.070 8.886 0.184 18531 1576 1 7 . 1 1 4 4 LYS N N 4 122.500 122.500 120.139 2.361 18531 1577 1 7 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.361 -0.141 18531 1578 1 7 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.386 0.614 18531 1579 1 7 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.974 -0.974 18531 1580 1 7 . 1 1 4 4 LYS H H 4 9.100 9.100 9.285 -0.185 18531 1581 1 7 . 1 1 5 5 LEU N N 5 126.400 126.400 125.462 0.938 18531 1582 1 7 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.335 -0.365 18531 1583 1 7 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.868 -1.068 18531 1584 1 7 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.429 -2.829 18531 1585 1 7 . 1 1 5 5 LEU H H 5 8.620 8.620 8.840 -0.220 18531 1586 1 7 . 1 1 6 6 VAL N N 6 127.000 127.000 127.091 -0.091 18531 1587 1 7 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.736 -0.576 18531 1588 1 7 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.597 1.703 18531 1589 1 7 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.752 -2.052 18531 1590 1 7 . 1 1 6 6 VAL H H 6 9.190 9.190 9.292 -0.102 18531 1591 1 7 . 1 1 7 7 ILE N N 7 125.400 125.400 125.517 -0.117 18531 1592 1 7 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.294 -0.204 18531 1593 1 7 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.752 -0.052 18531 1594 1 7 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.250 0.750 18531 1595 1 7 . 1 1 7 7 ILE H H 7 8.800 8.800 8.765 0.035 18531 1596 1 7 . 1 1 8 8 ASN N N 8 128.900 128.900 127.192 1.708 18531 1597 1 7 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.996 0.284 18531 1598 1 7 . 1 1 8 8 ASN CA C 8 50.800 50.800 51.883 -1.083 18531 1599 1 7 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.951 -0.851 18531 1600 1 7 . 1 1 8 8 ASN H H 8 8.990 8.990 8.113 0.877 18531 1601 1 7 . 1 1 9 9 GLY N N 9 110.200 110.200 108.003 2.197 18531 1602 1 7 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.320 0.380 18531 1603 1 7 . 1 1 9 9 GLY H H 9 7.920 7.920 7.649 0.271 18531 1604 1 7 . 1 1 10 10 LYS N N 10 120.700 120.700 119.562 1.138 18531 1605 1 7 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.269 -0.209 18531 1606 1 7 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.446 0.755 18531 1607 1 7 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.215 -0.315 18531 1608 1 7 . 1 1 10 10 LYS H H 10 9.520 9.520 8.614 0.906 18531 1609 1 7 . 1 1 11 11 THR N N 11 108.900 108.900 112.631 -3.731 18531 1610 1 7 . 1 1 11 11 THR HA H 11 4.360 4.360 4.443 -0.083 18531 1611 1 7 . 1 1 11 11 THR CA C 11 62.000 62.000 61.602 0.398 18531 1612 1 7 . 1 1 11 11 THR CB C 11 69.800 69.800 69.174 0.626 18531 1613 1 7 . 1 1 11 11 THR H H 11 8.790 8.790 8.152 0.638 18531 1614 1 7 . 1 1 12 12 LEU N N 12 125.700 125.700 124.224 1.476 18531 1615 1 7 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.595 -0.155 18531 1616 1 7 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.031 -0.031 18531 1617 1 7 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.984 -0.684 18531 1618 1 7 . 1 1 12 12 LEU H H 12 7.580 7.580 7.655 -0.075 18531 1619 1 7 . 1 1 13 13 LYS N N 13 123.500 123.500 124.121 -0.621 18531 1620 1 7 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.622 -0.502 18531 1621 1 7 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.532 -0.632 18531 1622 1 7 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.566 -0.766 18531 1623 1 7 . 1 1 13 13 LYS H H 13 8.140 8.140 8.339 -0.199 18531 1624 1 7 . 1 1 14 14 GLY N N 14 109.100 109.100 109.668 -0.568 18531 1625 1 7 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.039 -0.839 18531 1626 1 7 . 1 1 14 14 GLY H H 14 8.340 8.340 8.061 0.279 18531 1627 1 7 . 1 1 15 15 GLU N N 15 118.200 118.200 119.192 -0.992 18531 1628 1 7 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.586 0.014 18531 1629 1 7 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.925 -1.425 18531 1630 1 7 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.087 -0.287 18531 1631 1 7 . 1 1 15 15 GLU H H 15 8.390 8.390 8.342 0.048 18531 1632 1 7 . 1 1 16 16 THR N N 16 115.600 115.600 116.224 -0.624 18531 1633 1 7 . 1 1 16 16 THR HA H 16 4.730 4.730 4.813 -0.083 18531 1634 1 7 . 1 1 16 16 THR CA C 16 60.600 60.600 60.740 -0.141 18531 1635 1 7 . 1 1 16 16 THR CB C 16 69.500 69.500 70.198 -0.698 18531 1636 1 7 . 1 1 16 16 THR H H 16 8.820 8.820 8.666 0.154 18531 1637 1 7 . 1 1 17 17 THR N N 17 111.800 111.800 113.081 -1.281 18531 1638 1 7 . 1 1 17 17 THR HA H 17 5.790 5.790 5.449 0.341 18531 1639 1 7 . 1 1 17 17 THR CA C 17 59.800 59.800 60.336 -0.536 18531 1640 1 7 . 1 1 17 17 THR CB C 17 73.100 73.100 72.208 0.892 18531 1641 1 7 . 1 1 17 17 THR H H 17 8.140 8.140 8.231 -0.091 18531 1642 1 7 . 1 1 18 18 THR N N 18 115.100 115.100 113.951 1.149 18531 1643 1 7 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531 1644 1 7 . 1 1 18 18 THR CA C 18 61.900 61.900 61.284 0.616 18531 1645 1 7 . 1 1 18 18 THR CB C 18 70.000 70.000 70.439 -0.439 18531 1646 1 7 . 1 1 18 18 THR H H 18 8.930 8.930 8.735 0.195 18531 1647 1 7 . 1 1 19 19 LYS N N 19 124.300 124.300 125.340 -1.040 18531 1648 1 7 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.746 0.584 18531 1649 1 7 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.495 0.505 18531 1650 1 7 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.680 1.120 18531 1651 1 7 . 1 1 19 19 LYS H H 19 7.950 7.950 8.403 -0.453 18531 1652 1 7 . 1 1 20 20 ALA N N 20 124.600 124.600 127.087 -2.487 18531 1653 1 7 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.655 0.125 18531 1654 1 7 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.178 -0.278 18531 1655 1 7 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.794 2.006 18531 1656 1 7 . 1 1 20 20 ALA H H 20 9.110 9.110 8.414 0.696 18531 1657 1 7 . 1 1 21 21 VAL N N 21 115.300 115.300 115.772 -0.472 18531 1658 1 7 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.191 -0.081 18531 1659 1 7 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.349 0.952 18531 1660 1 7 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.207 0.993 18531 1661 1 7 . 1 1 21 21 VAL H H 21 8.480 8.480 8.389 0.091 18531 1662 1 7 . 1 1 22 22 ASP N N 22 115.200 115.200 118.253 -3.053 18531 1663 1 7 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.732 -0.022 18531 1664 1 7 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.855 -1.455 18531 1665 1 7 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.714 -0.514 18531 1666 1 7 . 1 1 22 22 ASP H H 22 7.310 7.310 7.672 -0.362 18531 1667 1 7 . 1 1 23 23 ALA N N 23 121.000 121.000 126.317 -5.317 18531 1668 1 7 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.461 -0.121 18531 1669 1 7 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.059 -0.159 18531 1670 1 7 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.584 -1.084 18531 1671 1 7 . 1 1 23 23 ALA H H 23 8.370 8.370 8.628 -0.258 18531 1672 1 7 . 1 1 24 24 GLU N N 24 118.900 118.900 118.276 0.624 18531 1673 1 7 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.942 -0.082 18531 1674 1 7 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.433 0.267 18531 1675 1 7 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.856 0.244 18531 1676 1 7 . 1 1 24 24 GLU H H 24 8.410 8.410 8.835 -0.425 18531 1677 1 7 . 1 1 25 25 THR N N 25 117.400 117.400 116.040 1.360 18531 1678 1 7 . 1 1 25 25 THR HA H 25 3.670 3.670 3.945 -0.275 18531 1679 1 7 . 1 1 25 25 THR CA C 25 66.800 66.800 65.971 0.829 18531 1680 1 7 . 1 1 25 25 THR CB C 25 68.000 68.000 68.305 -0.305 18531 1681 1 7 . 1 1 25 25 THR H H 25 8.380 8.380 7.385 0.995 18531 1682 1 7 . 1 1 26 26 ALA N N 26 125.100 125.100 122.319 2.781 18531 1683 1 7 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.829 -0.639 18531 1684 1 7 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.635 1.365 18531 1685 1 7 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.700 -0.400 18531 1686 1 7 . 1 1 26 26 ALA H H 26 7.220 7.220 7.856 -0.636 18531 1687 1 7 . 1 1 27 27 GLU N N 27 117.400 117.400 119.943 -2.543 18531 1688 1 7 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.605 -1.015 18531 1689 1 7 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.600 0.100 18531 1690 1 7 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.270 -0.070 18531 1691 1 7 . 1 1 27 27 GLU H H 27 8.370 8.370 7.726 0.644 18531 1692 1 7 . 1 1 28 28 LYS N N 28 116.300 116.300 118.636 -2.336 18531 1693 1 7 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.818 -0.148 18531 1694 1 7 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.656 -0.056 18531 1695 1 7 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.057 0.143 18531 1696 1 7 . 1 1 28 28 LYS H H 28 7.170 7.170 7.388 -0.218 18531 1697 1 7 . 1 1 29 29 ALA N N 29 122.000 122.000 121.240 0.760 18531 1698 1 7 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.048 0.042 18531 1699 1 7 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.681 0.019 18531 1700 1 7 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.020 -0.520 18531 1701 1 7 . 1 1 29 29 ALA H H 29 7.200 7.200 7.419 -0.219 18531 1702 1 7 . 1 1 30 30 PHE N N 30 119.600 119.600 117.105 2.495 18531 1703 1 7 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.275 0.505 18531 1704 1 7 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.926 -3.326 18531 1705 1 7 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.513 -1.113 18531 1706 1 7 . 1 1 30 30 PHE H H 30 8.610 8.610 7.781 0.829 18531 1707 1 7 . 1 1 31 31 LYS N N 31 122.800 122.800 118.547 4.253 18531 1708 1 7 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.173 -0.083 18531 1709 1 7 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.959 0.741 18531 1710 1 7 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.527 -0.927 18531 1711 1 7 . 1 1 31 31 LYS H H 31 9.030 9.030 8.002 1.028 18531 1712 1 7 . 1 1 32 32 GLN N N 32 119.600 119.600 119.904 -0.304 18531 1713 1 7 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.985 0.045 18531 1714 1 7 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.358 -0.658 18531 1715 1 7 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.486 -0.386 18531 1716 1 7 . 1 1 32 32 GLN H H 32 7.510 7.510 8.656 -1.146 18531 1717 1 7 . 1 1 33 33 TYR N N 33 120.400 120.400 119.253 1.147 18531 1718 1 7 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.653 -0.403 18531 1719 1 7 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.310 1.490 18531 1720 1 7 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.376 0.324 18531 1721 1 7 . 1 1 33 33 TYR H H 33 8.080 8.080 7.762 0.318 18531 1722 1 7 . 1 1 34 34 ALA N N 34 122.300 122.300 122.188 0.112 18531 1723 1 7 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.049 -0.269 18531 1724 1 7 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.228 0.872 18531 1725 1 7 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.745 -1.045 18531 1726 1 7 . 1 1 34 34 ALA H H 34 9.210 9.210 8.067 1.143 18531 1727 1 7 . 1 1 35 35 ASN N N 35 117.700 117.700 117.422 0.278 18531 1728 1 7 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.427 0.033 18531 1729 1 7 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.179 0.821 18531 1730 1 7 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.782 1.218 18531 1731 1 7 . 1 1 35 35 ASN H H 35 8.390 8.390 8.009 0.381 18531 1732 1 7 . 1 1 36 36 ASP N N 36 121.100 121.100 122.107 -1.007 18531 1733 1 7 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.368 -0.008 18531 1734 1 7 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.761 -0.061 18531 1735 1 7 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.226 -0.226 18531 1736 1 7 . 1 1 36 36 ASP H H 36 8.830 8.830 8.176 0.654 18531 1737 1 7 . 1 1 37 37 ASN N N 37 115.200 115.200 115.299 -0.099 18531 1738 1 7 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.853 -0.243 18531 1739 1 7 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.512 1.188 18531 1740 1 7 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.504 1.496 18531 1741 1 7 . 1 1 37 37 ASN H H 37 7.390 7.390 7.533 -0.143 18531 1742 1 7 . 1 1 38 38 GLY N N 38 108.200 108.200 107.898 0.302 18531 1743 1 7 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.196 0.204 18531 1744 1 7 . 1 1 38 38 GLY H H 38 7.800 7.800 8.137 -0.337 18531 1745 1 7 . 1 1 39 39 VAL N N 39 120.800 120.800 120.331 0.469 18531 1746 1 7 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.010 0.130 18531 1747 1 7 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.091 -0.391 18531 1748 1 7 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.108 1.192 18531 1749 1 7 . 1 1 39 39 VAL H H 39 8.120 8.120 7.941 0.179 18531 1750 1 7 . 1 1 40 40 ASP N N 40 128.000 128.000 128.595 -0.595 18531 1751 1 7 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.857 0.033 18531 1752 1 7 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.835 -0.035 18531 1753 1 7 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.687 -0.587 18531 1754 1 7 . 1 1 40 40 ASP H H 40 8.770 8.770 8.361 0.409 18531 1755 1 7 . 1 1 41 41 GLY N N 41 107.100 107.100 109.027 -1.927 18531 1756 1 7 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.838 0.562 18531 1757 1 7 . 1 1 41 41 GLY H H 41 7.910 7.910 7.990 -0.080 18531 1758 1 7 . 1 1 42 42 VAL N N 42 120.300 120.300 118.453 1.847 18531 1759 1 7 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.460 -0.080 18531 1760 1 7 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.482 2.618 18531 1761 1 7 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.401 0.999 18531 1762 1 7 . 1 1 42 42 VAL H H 42 8.250 8.250 7.574 0.676 18531 1763 1 7 . 1 1 43 43 TRP N N 43 130.700 130.700 128.180 2.520 18531 1764 1 7 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.228 0.132 18531 1765 1 7 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.230 1.370 18531 1766 1 7 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.346 -0.145 18531 1767 1 7 . 1 1 43 43 TRP H H 43 9.360 9.360 8.526 0.834 18531 1768 1 7 . 1 1 44 44 THR N N 44 114.500 114.500 118.499 -3.999 18531 1769 1 7 . 1 1 44 44 THR HA H 44 4.830 4.830 4.841 -0.011 18531 1770 1 7 . 1 1 44 44 THR CA C 44 60.300 60.300 61.351 -1.051 18531 1771 1 7 . 1 1 44 44 THR CB C 44 72.100 72.100 70.742 1.358 18531 1772 1 7 . 1 1 44 44 THR H H 44 9.400 9.400 8.430 0.970 18531 1773 1 7 . 1 1 45 45 TYR N N 45 120.100 120.100 124.628 -4.528 18531 1774 1 7 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.718 0.252 18531 1775 1 7 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.335 0.665 18531 1776 1 7 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.083 1.517 18531 1777 1 7 . 1 1 45 45 TYR H H 45 8.580 8.580 8.263 0.317 18531 1778 1 7 . 1 1 46 46 ASP N N 46 128.300 128.300 123.210 5.090 18531 1779 1 7 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.396 0.184 18531 1780 1 7 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.042 -0.142 18531 1781 1 7 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.906 -0.806 18531 1782 1 7 . 1 1 46 46 ASP H H 46 7.580 7.580 8.317 -0.737 18531 1783 1 7 . 1 1 47 47 ASP N N 47 124.800 124.800 123.873 0.927 18531 1784 1 7 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.391 -0.281 18531 1785 1 7 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.375 0.125 18531 1786 1 7 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.084 1.016 18531 1787 1 7 . 1 1 47 47 ASP H H 47 8.590 8.590 8.486 0.104 18531 1788 1 7 . 1 1 48 48 ALA N N 48 119.700 119.700 120.204 -0.504 18531 1789 1 7 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.085 0.005 18531 1790 1 7 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.036 0.964 18531 1791 1 7 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.040 -0.740 18531 1792 1 7 . 1 1 48 48 ALA H H 48 8.340 8.340 7.966 0.373 18531 1793 1 7 . 1 1 49 49 THR N N 49 103.200 103.200 109.475 -6.275 18531 1794 1 7 . 1 1 49 49 THR HA H 49 4.390 4.390 4.426 -0.036 18531 1795 1 7 . 1 1 49 49 THR CA C 49 60.200 60.200 60.678 -0.478 18531 1796 1 7 . 1 1 49 49 THR CB C 49 70.000 70.000 70.393 -0.393 18531 1797 1 7 . 1 1 49 49 THR H H 49 7.000 7.000 7.373 -0.373 18531 1798 1 7 . 1 1 50 50 LYS N N 50 123.100 123.100 119.331 3.769 18531 1799 1 7 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.874 -0.684 18531 1800 1 7 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.133 0.467 18531 1801 1 7 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.441 -4.841 18531 1802 1 7 . 1 1 50 50 LYS H H 50 7.860 7.860 8.413 -0.553 18531 1803 1 7 . 1 1 51 51 THR N N 51 111.200 111.200 117.394 -6.194 18531 1804 1 7 . 1 1 51 51 THR HA H 51 5.490 5.490 5.048 0.442 18531 1805 1 7 . 1 1 51 51 THR CA C 51 62.300 62.300 62.051 0.249 18531 1806 1 7 . 1 1 51 51 THR CB C 51 72.100 72.100 70.280 1.820 18531 1807 1 7 . 1 1 51 51 THR H H 51 7.390 7.390 7.989 -0.599 18531 1808 1 7 . 1 1 52 52 PHE N N 52 131.000 131.000 127.727 3.273 18531 1809 1 7 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.200 0.430 18531 1810 1 7 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.032 1.268 18531 1811 1 7 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.454 1.146 18531 1812 1 7 . 1 1 52 52 PHE H H 52 10.390 10.390 9.401 0.989 18531 1813 1 7 . 1 1 53 53 THR N N 53 117.400 117.400 117.907 -0.507 18531 1814 1 7 . 1 1 53 53 THR HA H 53 5.270 5.270 5.166 0.104 18531 1815 1 7 . 1 1 53 53 THR CA C 53 61.200 61.200 61.499 -0.299 18531 1816 1 7 . 1 1 53 53 THR CB C 53 71.000 71.000 72.042 -1.042 18531 1817 1 7 . 1 1 53 53 THR H H 53 9.180 9.180 8.415 0.765 18531 1818 1 7 . 1 1 54 54 VAL N N 54 123.000 123.000 124.280 -1.280 18531 1819 1 7 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.450 0.010 18531 1820 1 7 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.052 -1.952 18531 1821 1 7 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.317 -2.017 18531 1822 1 7 . 1 1 54 54 VAL H H 54 8.280 8.280 8.039 0.241 18531 1823 1 7 . 1 1 55 55 THR N N 55 123.900 123.900 123.555 0.345 18531 1824 1 7 . 1 1 55 55 THR HA H 55 4.700 4.700 4.889 -0.189 18531 1825 1 7 . 1 1 55 55 THR CA C 55 61.200 61.200 59.706 1.494 18531 1826 1 7 . 1 1 55 55 THR CB C 55 70.700 70.700 70.096 0.604 18531 1827 1 7 . 1 1 55 55 THR H H 55 8.320 8.320 8.043 0.277 18531 1828 1 8 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.099 -0.049 18531 1829 1 8 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.089 1.511 18531 1830 1 8 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.256 0.444 18531 1831 1 8 . 1 1 2 2 GLN H H 2 8.410 8.410 8.231 0.179 18531 1832 1 8 . 1 1 3 3 TYR N N 3 124.000 124.000 122.216 1.784 18531 1833 1 8 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.956 0.404 18531 1834 1 8 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.491 1.609 18531 1835 1 8 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.133 2.467 18531 1836 1 8 . 1 1 3 3 TYR H H 3 9.070 9.070 7.741 1.329 18531 1837 1 8 . 1 1 4 4 LYS N N 4 122.500 122.500 121.188 1.312 18531 1838 1 8 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.396 -0.176 18531 1839 1 8 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.426 0.574 18531 1840 1 8 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.592 -0.592 18531 1841 1 8 . 1 1 4 4 LYS H H 4 9.100 9.100 9.152 -0.052 18531 1842 1 8 . 1 1 5 5 LEU N N 5 126.400 126.400 126.409 -0.009 18531 1843 1 8 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.412 -0.442 18531 1844 1 8 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.029 -0.229 18531 1845 1 8 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.293 -3.693 18531 1846 1 8 . 1 1 5 5 LEU H H 5 8.620 8.620 8.936 -0.316 18531 1847 1 8 . 1 1 6 6 VAL N N 6 127.000 127.000 123.968 3.032 18531 1848 1 8 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.816 -0.656 18531 1849 1 8 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.835 1.465 18531 1850 1 8 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.553 -2.853 18531 1851 1 8 . 1 1 6 6 VAL H H 6 9.190 9.190 9.059 0.131 18531 1852 1 8 . 1 1 7 7 ILE N N 7 125.400 125.400 125.727 -0.327 18531 1853 1 8 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.347 -0.257 18531 1854 1 8 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.648 0.052 18531 1855 1 8 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.108 0.891 18531 1856 1 8 . 1 1 7 7 ILE H H 7 8.800 8.800 9.188 -0.388 18531 1857 1 8 . 1 1 8 8 ASN N N 8 128.900 128.900 125.001 3.899 18531 1858 1 8 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.938 0.342 18531 1859 1 8 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.891 -2.091 18531 1860 1 8 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.176 -0.076 18531 1861 1 8 . 1 1 8 8 ASN H H 8 8.990 8.990 8.084 0.906 18531 1862 1 8 . 1 1 9 9 GLY N N 9 110.200 110.200 107.888 2.312 18531 1863 1 8 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.048 0.652 18531 1864 1 8 . 1 1 9 9 GLY H H 9 7.920 7.920 7.914 0.006 18531 1865 1 8 . 1 1 10 10 LYS N N 10 120.700 120.700 118.729 1.971 18531 1866 1 8 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.366 -0.306 18531 1867 1 8 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.214 0.987 18531 1868 1 8 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.821 0.079 18531 1869 1 8 . 1 1 10 10 LYS H H 10 9.520 9.520 8.561 0.959 18531 1870 1 8 . 1 1 11 11 THR N N 11 108.900 108.900 112.566 -3.666 18531 1871 1 8 . 1 1 11 11 THR HA H 11 4.360 4.360 4.406 -0.046 18531 1872 1 8 . 1 1 11 11 THR CA C 11 62.000 62.000 61.197 0.803 18531 1873 1 8 . 1 1 11 11 THR CB C 11 69.800 69.800 69.279 0.521 18531 1874 1 8 . 1 1 11 11 THR H H 11 8.790 8.790 7.721 1.069 18531 1875 1 8 . 1 1 12 12 LEU N N 12 125.700 125.700 123.368 2.332 18531 1876 1 8 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.570 -0.130 18531 1877 1 8 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.548 -0.548 18531 1878 1 8 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.897 -1.597 18531 1879 1 8 . 1 1 12 12 LEU H H 12 7.580 7.580 7.637 -0.057 18531 1880 1 8 . 1 1 13 13 LYS N N 13 123.500 123.500 123.780 -0.280 18531 1881 1 8 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.380 -0.260 18531 1882 1 8 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.666 -1.766 18531 1883 1 8 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.921 0.879 18531 1884 1 8 . 1 1 13 13 LYS H H 13 8.140 8.140 8.478 -0.338 18531 1885 1 8 . 1 1 14 14 GLY N N 14 109.100 109.100 111.757 -2.657 18531 1886 1 8 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.620 -0.420 18531 1887 1 8 . 1 1 14 14 GLY H H 14 8.340 8.340 7.889 0.451 18531 1888 1 8 . 1 1 15 15 GLU N N 15 118.200 118.200 118.496 -0.296 18531 1889 1 8 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.406 0.194 18531 1890 1 8 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.224 -0.724 18531 1891 1 8 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.067 -0.267 18531 1892 1 8 . 1 1 15 15 GLU H H 15 8.390 8.390 8.470 -0.080 18531 1893 1 8 . 1 1 16 16 THR N N 16 115.600 115.600 114.768 0.832 18531 1894 1 8 . 1 1 16 16 THR HA H 16 4.730 4.730 4.832 -0.102 18531 1895 1 8 . 1 1 16 16 THR CA C 16 60.600 60.600 60.196 0.404 18531 1896 1 8 . 1 1 16 16 THR CB C 16 69.500 69.500 70.183 -0.683 18531 1897 1 8 . 1 1 16 16 THR H H 16 8.820 8.820 8.903 -0.083 18531 1898 1 8 . 1 1 17 17 THR N N 17 111.800 111.800 115.009 -3.209 18531 1899 1 8 . 1 1 17 17 THR HA H 17 5.790 5.790 5.693 0.097 18531 1900 1 8 . 1 1 17 17 THR CA C 17 59.800 59.800 60.522 -0.722 18531 1901 1 8 . 1 1 17 17 THR CB C 17 73.100 73.100 71.903 1.198 18531 1902 1 8 . 1 1 17 17 THR H H 17 8.140 8.140 8.260 -0.120 18531 1903 1 8 . 1 1 18 18 THR N N 18 115.100 115.100 113.453 1.647 18531 1904 1 8 . 1 1 18 18 THR HA H 18 4.640 4.640 4.442 0.198 18531 1905 1 8 . 1 1 18 18 THR CA C 18 61.900 61.900 61.000 0.900 18531 1906 1 8 . 1 1 18 18 THR CB C 18 70.000 70.000 68.942 1.058 18531 1907 1 8 . 1 1 18 18 THR H H 18 8.930 8.930 8.216 0.714 18531 1908 1 8 . 1 1 19 19 LYS N N 19 124.300 124.300 120.824 3.476 18531 1909 1 8 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.903 0.427 18531 1910 1 8 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.619 -0.619 18531 1911 1 8 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.947 -0.147 18531 1912 1 8 . 1 1 19 19 LYS H H 19 7.950 7.950 8.216 -0.266 18531 1913 1 8 . 1 1 20 20 ALA N N 20 124.600 124.600 126.423 -1.823 18531 1914 1 8 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.580 0.200 18531 1915 1 8 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.420 -0.520 18531 1916 1 8 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.583 3.217 18531 1917 1 8 . 1 1 20 20 ALA H H 20 9.110 9.110 8.036 1.074 18531 1918 1 8 . 1 1 21 21 VAL N N 21 115.300 115.300 119.056 -3.756 18531 1919 1 8 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.121 -0.011 18531 1920 1 8 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.513 -0.213 18531 1921 1 8 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.138 0.062 18531 1922 1 8 . 1 1 21 21 VAL H H 21 8.480 8.480 8.282 0.198 18531 1923 1 8 . 1 1 22 22 ASP N N 22 115.200 115.200 117.237 -2.037 18531 1924 1 8 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.668 0.042 18531 1925 1 8 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.739 -1.339 18531 1926 1 8 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.731 -0.531 18531 1927 1 8 . 1 1 22 22 ASP H H 22 7.310 7.310 7.594 -0.284 18531 1928 1 8 . 1 1 23 23 ALA N N 23 121.000 121.000 126.913 -5.913 18531 1929 1 8 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.747 -0.407 18531 1930 1 8 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.285 -0.385 18531 1931 1 8 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.703 -1.204 18531 1932 1 8 . 1 1 23 23 ALA H H 23 8.370 8.370 8.659 -0.289 18531 1933 1 8 . 1 1 24 24 GLU N N 24 118.900 118.900 118.329 0.571 18531 1934 1 8 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.992 -0.132 18531 1935 1 8 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.607 0.093 18531 1936 1 8 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.910 0.190 18531 1937 1 8 . 1 1 24 24 GLU H H 24 8.410 8.410 8.978 -0.568 18531 1938 1 8 . 1 1 25 25 THR N N 25 117.400 117.400 115.965 1.435 18531 1939 1 8 . 1 1 25 25 THR HA H 25 3.670 3.670 4.013 -0.343 18531 1940 1 8 . 1 1 25 25 THR CA C 25 66.800 66.800 66.167 0.633 18531 1941 1 8 . 1 1 25 25 THR CB C 25 68.000 68.000 68.359 -0.358 18531 1942 1 8 . 1 1 25 25 THR H H 25 8.380 8.380 7.398 0.982 18531 1943 1 8 . 1 1 26 26 ALA N N 26 125.100 125.100 123.301 1.799 18531 1944 1 8 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.040 -0.850 18531 1945 1 8 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.267 0.733 18531 1946 1 8 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.348 -1.048 18531 1947 1 8 . 1 1 26 26 ALA H H 26 7.220 7.220 8.183 -0.963 18531 1948 1 8 . 1 1 27 27 GLU N N 27 117.400 117.400 119.769 -2.369 18531 1949 1 8 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.701 -1.111 18531 1950 1 8 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.813 -0.113 18531 1951 1 8 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.268 -0.068 18531 1952 1 8 . 1 1 27 27 GLU H H 27 8.370 8.370 8.047 0.323 18531 1953 1 8 . 1 1 28 28 LYS N N 28 116.300 116.300 118.996 -2.696 18531 1954 1 8 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.845 -0.175 18531 1955 1 8 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.498 0.102 18531 1956 1 8 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.258 -0.058 18531 1957 1 8 . 1 1 28 28 LYS H H 28 7.170 7.170 7.362 -0.192 18531 1958 1 8 . 1 1 29 29 ALA N N 29 122.000 122.000 121.503 0.497 18531 1959 1 8 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.008 0.082 18531 1960 1 8 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.821 -0.121 18531 1961 1 8 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.947 -0.447 18531 1962 1 8 . 1 1 29 29 ALA H H 29 7.200 7.200 7.429 -0.229 18531 1963 1 8 . 1 1 30 30 PHE N N 30 119.600 119.600 117.357 2.243 18531 1964 1 8 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.238 0.542 18531 1965 1 8 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.442 -3.842 18531 1966 1 8 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.583 -1.183 18531 1967 1 8 . 1 1 30 30 PHE H H 30 8.610 8.610 8.201 0.409 18531 1968 1 8 . 1 1 31 31 LYS N N 31 122.800 122.800 119.162 3.638 18531 1969 1 8 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.802 0.288 18531 1970 1 8 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.018 0.682 18531 1971 1 8 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.068 -0.468 18531 1972 1 8 . 1 1 31 31 LYS H H 31 9.030 9.030 8.144 0.886 18531 1973 1 8 . 1 1 32 32 GLN N N 32 119.600 119.600 120.105 -0.505 18531 1974 1 8 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.958 0.072 18531 1975 1 8 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.391 -0.691 18531 1976 1 8 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.474 -0.374 18531 1977 1 8 . 1 1 32 32 GLN H H 32 7.510 7.510 8.618 -1.108 18531 1978 1 8 . 1 1 33 33 TYR N N 33 120.400 120.400 119.708 0.692 18531 1979 1 8 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.479 -0.229 18531 1980 1 8 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.741 1.059 18531 1981 1 8 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.314 0.386 18531 1982 1 8 . 1 1 33 33 TYR H H 33 8.080 8.080 7.836 0.244 18531 1983 1 8 . 1 1 34 34 ALA N N 34 122.300 122.300 121.329 0.971 18531 1984 1 8 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.024 -0.244 18531 1985 1 8 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.146 0.954 18531 1986 1 8 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.358 -0.658 18531 1987 1 8 . 1 1 34 34 ALA H H 34 9.210 9.210 7.878 1.332 18531 1988 1 8 . 1 1 35 35 ASN N N 35 117.700 117.700 117.598 0.102 18531 1989 1 8 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.456 0.004 18531 1990 1 8 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.804 1.196 18531 1991 1 8 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.003 0.997 18531 1992 1 8 . 1 1 35 35 ASN H H 35 8.390 8.390 8.019 0.371 18531 1993 1 8 . 1 1 36 36 ASP N N 36 121.100 121.100 120.911 0.189 18531 1994 1 8 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.374 -0.014 18531 1995 1 8 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.792 -0.092 18531 1996 1 8 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.234 -0.234 18531 1997 1 8 . 1 1 36 36 ASP H H 36 8.830 8.830 8.163 0.667 18531 1998 1 8 . 1 1 37 37 ASN N N 37 115.200 115.200 114.846 0.354 18531 1999 1 8 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.815 -0.205 18531 2000 1 8 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.695 1.005 18531 2001 1 8 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.065 0.936 18531 2002 1 8 . 1 1 37 37 ASN H H 37 7.390 7.390 7.536 -0.146 18531 2003 1 8 . 1 1 38 38 GLY N N 38 108.200 108.200 108.731 -0.531 18531 2004 1 8 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.327 0.073 18531 2005 1 8 . 1 1 38 38 GLY H H 38 7.800 7.800 8.197 -0.397 18531 2006 1 8 . 1 1 39 39 VAL N N 39 120.800 120.800 119.454 1.346 18531 2007 1 8 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.026 0.114 18531 2008 1 8 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.994 -1.294 18531 2009 1 8 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.094 1.206 18531 2010 1 8 . 1 1 39 39 VAL H H 39 8.120 8.120 8.152 -0.032 18531 2011 1 8 . 1 1 40 40 ASP N N 40 128.000 128.000 127.962 0.038 18531 2012 1 8 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.906 -0.016 18531 2013 1 8 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.561 0.239 18531 2014 1 8 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.322 -1.222 18531 2015 1 8 . 1 1 40 40 ASP H H 40 8.770 8.770 8.389 0.381 18531 2016 1 8 . 1 1 41 41 GLY N N 41 107.100 107.100 107.646 -0.546 18531 2017 1 8 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.034 0.366 18531 2018 1 8 . 1 1 41 41 GLY H H 41 7.910 7.910 8.016 -0.106 18531 2019 1 8 . 1 1 42 42 VAL N N 42 120.300 120.300 122.342 -2.042 18531 2020 1 8 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.252 0.128 18531 2021 1 8 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.395 0.705 18531 2022 1 8 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.200 1.200 18531 2023 1 8 . 1 1 42 42 VAL H H 42 8.250 8.250 7.625 0.625 18531 2024 1 8 . 1 1 43 43 TRP N N 43 130.700 130.700 129.856 0.844 18531 2025 1 8 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.921 0.439 18531 2026 1 8 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.515 1.085 18531 2027 1 8 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.190 0.010 18531 2028 1 8 . 1 1 43 43 TRP H H 43 9.360 9.360 8.541 0.819 18531 2029 1 8 . 1 1 44 44 THR N N 44 114.500 114.500 117.458 -2.958 18531 2030 1 8 . 1 1 44 44 THR HA H 44 4.830 4.830 4.842 -0.012 18531 2031 1 8 . 1 1 44 44 THR CA C 44 60.300 60.300 60.961 -0.660 18531 2032 1 8 . 1 1 44 44 THR CB C 44 72.100 72.100 71.352 0.748 18531 2033 1 8 . 1 1 44 44 THR H H 44 9.400 9.400 8.414 0.986 18531 2034 1 8 . 1 1 45 45 TYR N N 45 120.100 120.100 122.408 -2.308 18531 2035 1 8 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.560 0.410 18531 2036 1 8 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.344 0.656 18531 2037 1 8 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.699 1.901 18531 2038 1 8 . 1 1 45 45 TYR H H 45 8.580 8.580 8.186 0.394 18531 2039 1 8 . 1 1 46 46 ASP N N 46 128.300 128.300 122.853 5.447 18531 2040 1 8 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.358 0.222 18531 2041 1 8 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.689 0.211 18531 2042 1 8 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.058 0.042 18531 2043 1 8 . 1 1 46 46 ASP H H 46 7.580 7.580 8.190 -0.610 18531 2044 1 8 . 1 1 47 47 ASP N N 47 124.800 124.800 126.991 -2.191 18531 2045 1 8 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.188 -0.078 18531 2046 1 8 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.509 -0.009 18531 2047 1 8 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.974 1.126 18531 2048 1 8 . 1 1 47 47 ASP H H 47 8.590 8.590 8.489 0.101 18531 2049 1 8 . 1 1 48 48 ALA N N 48 119.700 119.700 119.905 -0.205 18531 2050 1 8 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.076 0.014 18531 2051 1 8 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.002 0.998 18531 2052 1 8 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.849 -0.549 18531 2053 1 8 . 1 1 48 48 ALA H H 48 8.340 8.340 7.938 0.402 18531 2054 1 8 . 1 1 49 49 THR N N 49 103.200 103.200 110.747 -7.547 18531 2055 1 8 . 1 1 49 49 THR HA H 49 4.390 4.390 4.471 -0.081 18531 2056 1 8 . 1 1 49 49 THR CA C 49 60.200 60.200 60.145 0.055 18531 2057 1 8 . 1 1 49 49 THR CB C 49 70.000 70.000 70.734 -0.734 18531 2058 1 8 . 1 1 49 49 THR H H 49 7.000 7.000 7.675 -0.675 18531 2059 1 8 . 1 1 50 50 LYS N N 50 123.100 123.100 118.519 4.581 18531 2060 1 8 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.649 -0.459 18531 2061 1 8 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.062 0.538 18531 2062 1 8 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.558 -4.958 18531 2063 1 8 . 1 1 50 50 LYS H H 50 7.860 7.860 8.397 -0.537 18531 2064 1 8 . 1 1 51 51 THR N N 51 111.200 111.200 116.812 -5.612 18531 2065 1 8 . 1 1 51 51 THR HA H 51 5.490 5.490 5.161 0.329 18531 2066 1 8 . 1 1 51 51 THR CA C 51 62.300 62.300 61.003 1.297 18531 2067 1 8 . 1 1 51 51 THR CB C 51 72.100 72.100 69.453 2.647 18531 2068 1 8 . 1 1 51 51 THR H H 51 7.390 7.390 7.981 -0.591 18531 2069 1 8 . 1 1 52 52 PHE N N 52 131.000 131.000 129.365 1.635 18531 2070 1 8 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.395 0.235 18531 2071 1 8 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.021 1.279 18531 2072 1 8 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.307 1.293 18531 2073 1 8 . 1 1 52 52 PHE H H 52 10.390 10.390 9.419 0.971 18531 2074 1 8 . 1 1 53 53 THR N N 53 117.400 117.400 117.404 -0.004 18531 2075 1 8 . 1 1 53 53 THR HA H 53 5.270 5.270 5.016 0.254 18531 2076 1 8 . 1 1 53 53 THR CA C 53 61.200 61.200 61.710 -0.510 18531 2077 1 8 . 1 1 53 53 THR CB C 53 71.000 71.000 72.200 -1.200 18531 2078 1 8 . 1 1 53 53 THR H H 53 9.180 9.180 8.390 0.790 18531 2079 1 8 . 1 1 54 54 VAL N N 54 123.000 123.000 124.976 -1.976 18531 2080 1 8 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.405 0.055 18531 2081 1 8 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.557 -1.457 18531 2082 1 8 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.611 -2.312 18531 2083 1 8 . 1 1 54 54 VAL H H 54 8.280 8.280 8.275 0.005 18531 2084 1 8 . 1 1 55 55 THR N N 55 123.900 123.900 123.697 0.203 18531 2085 1 8 . 1 1 55 55 THR HA H 55 4.700 4.700 4.834 -0.134 18531 2086 1 8 . 1 1 55 55 THR CA C 55 61.200 61.200 60.728 0.472 18531 2087 1 8 . 1 1 55 55 THR CB C 55 70.700 70.700 69.857 0.843 18531 2088 1 8 . 1 1 55 55 THR H H 55 8.320 8.320 8.067 0.253 18531 2089 1 9 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.819 0.231 18531 2090 1 9 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.762 -0.162 18531 2091 1 9 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.774 -1.074 18531 2092 1 9 . 1 1 2 2 GLN H H 2 8.410 8.410 7.796 0.614 18531 2093 1 9 . 1 1 3 3 TYR N N 3 124.000 124.000 122.485 1.515 18531 2094 1 9 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.096 0.264 18531 2095 1 9 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.766 0.334 18531 2096 1 9 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.066 1.534 18531 2097 1 9 . 1 1 3 3 TYR H H 3 9.070 9.070 8.555 0.515 18531 2098 1 9 . 1 1 4 4 LYS N N 4 122.500 122.500 122.674 -0.174 18531 2099 1 9 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.029 0.191 18531 2100 1 9 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.436 0.564 18531 2101 1 9 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.444 -0.444 18531 2102 1 9 . 1 1 4 4 LYS H H 4 9.100 9.100 9.441 -0.341 18531 2103 1 9 . 1 1 5 5 LEU N N 5 126.400 126.400 127.945 -1.545 18531 2104 1 9 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.268 -0.298 18531 2105 1 9 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.474 -0.674 18531 2106 1 9 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.860 -2.260 18531 2107 1 9 . 1 1 5 5 LEU H H 5 8.620 8.620 8.186 0.434 18531 2108 1 9 . 1 1 6 6 VAL N N 6 127.000 127.000 126.865 0.135 18531 2109 1 9 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.885 -0.725 18531 2110 1 9 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.285 2.015 18531 2111 1 9 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.166 -1.466 18531 2112 1 9 . 1 1 6 6 VAL H H 6 9.190 9.190 9.254 -0.064 18531 2113 1 9 . 1 1 7 7 ILE N N 7 125.400 125.400 126.091 -0.691 18531 2114 1 9 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.286 -0.196 18531 2115 1 9 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.842 -0.142 18531 2116 1 9 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.547 0.453 18531 2117 1 9 . 1 1 7 7 ILE H H 7 8.800 8.800 8.572 0.228 18531 2118 1 9 . 1 1 8 8 ASN N N 8 128.900 128.900 125.780 3.120 18531 2119 1 9 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.979 0.301 18531 2120 1 9 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.577 -1.777 18531 2121 1 9 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.849 -0.749 18531 2122 1 9 . 1 1 8 8 ASN H H 8 8.990 8.990 8.804 0.186 18531 2123 1 9 . 1 1 9 9 GLY N N 9 110.200 110.200 109.064 1.136 18531 2124 1 9 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.904 -0.204 18531 2125 1 9 . 1 1 9 9 GLY H H 9 7.920 7.920 7.854 0.066 18531 2126 1 9 . 1 1 10 10 LYS N N 10 120.700 120.700 119.748 0.952 18531 2127 1 9 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.231 -0.171 18531 2128 1 9 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.447 0.753 18531 2129 1 9 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.195 -0.295 18531 2130 1 9 . 1 1 10 10 LYS H H 10 9.520 9.520 8.210 1.310 18531 2131 1 9 . 1 1 11 11 THR N N 11 108.900 108.900 113.452 -4.552 18531 2132 1 9 . 1 1 11 11 THR HA H 11 4.360 4.360 4.418 -0.058 18531 2133 1 9 . 1 1 11 11 THR CA C 11 62.000 62.000 62.177 -0.177 18531 2134 1 9 . 1 1 11 11 THR CB C 11 69.800 69.800 69.168 0.632 18531 2135 1 9 . 1 1 11 11 THR H H 11 8.790 8.790 8.206 0.584 18531 2136 1 9 . 1 1 12 12 LEU N N 12 125.700 125.700 123.446 2.254 18531 2137 1 9 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.529 -0.089 18531 2138 1 9 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.200 -0.200 18531 2139 1 9 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.438 -1.138 18531 2140 1 9 . 1 1 12 12 LEU H H 12 7.580 7.580 7.750 -0.170 18531 2141 1 9 . 1 1 13 13 LYS N N 13 123.500 123.500 123.609 -0.109 18531 2142 1 9 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.554 -0.434 18531 2143 1 9 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.702 -0.802 18531 2144 1 9 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.764 -0.964 18531 2145 1 9 . 1 1 13 13 LYS H H 13 8.140 8.140 8.335 -0.195 18531 2146 1 9 . 1 1 14 14 GLY N N 14 109.100 109.100 109.928 -0.828 18531 2147 1 9 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.972 -0.772 18531 2148 1 9 . 1 1 14 14 GLY H H 14 8.340 8.340 8.144 0.196 18531 2149 1 9 . 1 1 15 15 GLU N N 15 118.200 118.200 119.726 -1.526 18531 2150 1 9 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.297 0.303 18531 2151 1 9 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.293 -0.793 18531 2152 1 9 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.389 0.411 18531 2153 1 9 . 1 1 15 15 GLU H H 15 8.390 8.390 8.479 -0.089 18531 2154 1 9 . 1 1 16 16 THR N N 16 115.600 115.600 119.930 -4.330 18531 2155 1 9 . 1 1 16 16 THR HA H 16 4.730 4.730 4.575 0.155 18531 2156 1 9 . 1 1 16 16 THR CA C 16 60.600 60.600 60.826 -0.226 18531 2157 1 9 . 1 1 16 16 THR CB C 16 69.500 69.500 68.686 0.814 18531 2158 1 9 . 1 1 16 16 THR H H 16 8.820 8.820 8.920 -0.100 18531 2159 1 9 . 1 1 17 17 THR N N 17 111.800 111.800 120.025 -8.225 18531 2160 1 9 . 1 1 17 17 THR HA H 17 5.790 5.790 5.335 0.455 18531 2161 1 9 . 1 1 17 17 THR CA C 17 59.800 59.800 60.378 -0.578 18531 2162 1 9 . 1 1 17 17 THR CB C 17 73.100 73.100 70.570 2.530 18531 2163 1 9 . 1 1 17 17 THR H H 17 8.140 8.140 8.378 -0.238 18531 2164 1 9 . 1 1 18 18 THR N N 18 115.100 115.100 115.679 -0.579 18531 2165 1 9 . 1 1 18 18 THR HA H 18 4.640 4.640 4.649 -0.009 18531 2166 1 9 . 1 1 18 18 THR CA C 18 61.900 61.900 60.897 1.003 18531 2167 1 9 . 1 1 18 18 THR CB C 18 70.000 70.000 69.474 0.526 18531 2168 1 9 . 1 1 18 18 THR H H 18 8.930 8.930 8.469 0.461 18531 2169 1 9 . 1 1 19 19 LYS N N 19 124.300 124.300 119.555 4.745 18531 2170 1 9 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.959 0.371 18531 2171 1 9 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.327 -0.327 18531 2172 1 9 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.019 -1.219 18531 2173 1 9 . 1 1 19 19 LYS H H 19 7.950 7.950 8.254 -0.304 18531 2174 1 9 . 1 1 20 20 ALA N N 20 124.600 124.600 124.263 0.337 18531 2175 1 9 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.607 0.173 18531 2176 1 9 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.827 -0.927 18531 2177 1 9 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.029 2.771 18531 2178 1 9 . 1 1 20 20 ALA H H 20 9.110 9.110 8.097 1.013 18531 2179 1 9 . 1 1 21 21 VAL N N 21 115.300 115.300 116.522 -1.222 18531 2180 1 9 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.429 -0.319 18531 2181 1 9 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.460 -0.160 18531 2182 1 9 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.547 -0.347 18531 2183 1 9 . 1 1 21 21 VAL H H 21 8.480 8.480 8.534 -0.054 18531 2184 1 9 . 1 1 22 22 ASP N N 22 115.200 115.200 118.940 -3.740 18531 2185 1 9 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.764 -0.054 18531 2186 1 9 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.844 -1.444 18531 2187 1 9 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.565 -0.365 18531 2188 1 9 . 1 1 22 22 ASP H H 22 7.310 7.310 7.608 -0.298 18531 2189 1 9 . 1 1 23 23 ALA N N 23 121.000 121.000 127.311 -6.311 18531 2190 1 9 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.187 0.153 18531 2191 1 9 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.067 -0.167 18531 2192 1 9 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.830 -1.330 18531 2193 1 9 . 1 1 23 23 ALA H H 23 8.370 8.370 8.739 -0.369 18531 2194 1 9 . 1 1 24 24 GLU N N 24 118.900 118.900 117.829 1.071 18531 2195 1 9 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.931 -0.071 18531 2196 1 9 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.509 0.191 18531 2197 1 9 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.069 0.031 18531 2198 1 9 . 1 1 24 24 GLU H H 24 8.410 8.410 7.968 0.442 18531 2199 1 9 . 1 1 25 25 THR N N 25 117.400 117.400 114.786 2.614 18531 2200 1 9 . 1 1 25 25 THR HA H 25 3.670 3.670 3.997 -0.327 18531 2201 1 9 . 1 1 25 25 THR CA C 25 66.800 66.800 65.603 1.196 18531 2202 1 9 . 1 1 25 25 THR CB C 25 68.000 68.000 68.317 -0.317 18531 2203 1 9 . 1 1 25 25 THR H H 25 8.380 8.380 8.001 0.379 18531 2204 1 9 . 1 1 26 26 ALA N N 26 125.100 125.100 122.119 2.981 18531 2205 1 9 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.975 -0.785 18531 2206 1 9 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.314 1.686 18531 2207 1 9 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.676 -1.376 18531 2208 1 9 . 1 1 26 26 ALA H H 26 7.220 7.220 7.617 -0.397 18531 2209 1 9 . 1 1 27 27 GLU N N 27 117.400 117.400 120.045 -2.645 18531 2210 1 9 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.644 -1.054 18531 2211 1 9 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.722 -0.022 18531 2212 1 9 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.310 -0.110 18531 2213 1 9 . 1 1 27 27 GLU H H 27 8.370 8.370 7.726 0.644 18531 2214 1 9 . 1 1 28 28 LYS N N 28 116.300 116.300 117.277 -0.977 18531 2215 1 9 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.907 -0.237 18531 2216 1 9 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.468 1.132 18531 2217 1 9 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.726 0.474 18531 2218 1 9 . 1 1 28 28 LYS H H 28 7.170 7.170 7.510 -0.340 18531 2219 1 9 . 1 1 29 29 ALA N N 29 122.000 122.000 120.180 1.820 18531 2220 1 9 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.086 0.004 18531 2221 1 9 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.075 0.625 18531 2222 1 9 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.854 -1.354 18531 2223 1 9 . 1 1 29 29 ALA H H 29 7.200 7.200 7.278 -0.078 18531 2224 1 9 . 1 1 30 30 PHE N N 30 119.600 119.600 118.397 1.203 18531 2225 1 9 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.180 0.600 18531 2226 1 9 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.206 -3.606 18531 2227 1 9 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.334 -0.934 18531 2228 1 9 . 1 1 30 30 PHE H H 30 8.610 8.610 7.726 0.884 18531 2229 1 9 . 1 1 31 31 LYS N N 31 122.800 122.800 117.919 4.881 18531 2230 1 9 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.797 0.293 18531 2231 1 9 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.772 0.928 18531 2232 1 9 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.888 -0.288 18531 2233 1 9 . 1 1 31 31 LYS H H 31 9.030 9.030 7.954 1.076 18531 2234 1 9 . 1 1 32 32 GLN N N 32 119.600 119.600 119.132 0.468 18531 2235 1 9 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.170 -0.140 18531 2236 1 9 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.564 0.136 18531 2237 1 9 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.104 -1.004 18531 2238 1 9 . 1 1 32 32 GLN H H 32 7.510 7.510 7.441 0.069 18531 2239 1 9 . 1 1 33 33 TYR N N 33 120.400 120.400 121.572 -1.172 18531 2240 1 9 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.161 0.089 18531 2241 1 9 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.302 0.498 18531 2242 1 9 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.474 0.226 18531 2243 1 9 . 1 1 33 33 TYR H H 33 8.080 8.080 7.755 0.326 18531 2244 1 9 . 1 1 34 34 ALA N N 34 122.300 122.300 119.900 2.400 18531 2245 1 9 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.820 -0.040 18531 2246 1 9 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.341 0.759 18531 2247 1 9 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.307 -0.607 18531 2248 1 9 . 1 1 34 34 ALA H H 34 9.210 9.210 8.306 0.904 18531 2249 1 9 . 1 1 35 35 ASN N N 35 117.700 117.700 116.791 0.909 18531 2250 1 9 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.502 -0.042 18531 2251 1 9 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.507 1.493 18531 2252 1 9 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.114 0.886 18531 2253 1 9 . 1 1 35 35 ASN H H 35 8.390 8.390 8.158 0.232 18531 2254 1 9 . 1 1 36 36 ASP N N 36 121.100 121.100 120.258 0.842 18531 2255 1 9 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.562 -0.202 18531 2256 1 9 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.147 0.553 18531 2257 1 9 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.030 -1.030 18531 2258 1 9 . 1 1 36 36 ASP H H 36 8.830 8.830 8.015 0.815 18531 2259 1 9 . 1 1 37 37 ASN N N 37 115.200 115.200 116.484 -1.284 18531 2260 1 9 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.818 -0.208 18531 2261 1 9 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.645 1.055 18531 2262 1 9 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.539 1.461 18531 2263 1 9 . 1 1 37 37 ASN H H 37 7.390 7.390 7.667 -0.277 18531 2264 1 9 . 1 1 38 38 GLY N N 38 108.200 108.200 107.895 0.305 18531 2265 1 9 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.267 0.133 18531 2266 1 9 . 1 1 38 38 GLY H H 38 7.800 7.800 7.662 0.138 18531 2267 1 9 . 1 1 39 39 VAL N N 39 120.800 120.800 120.048 0.752 18531 2268 1 9 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.018 0.122 18531 2269 1 9 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.492 -0.792 18531 2270 1 9 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.021 0.279 18531 2271 1 9 . 1 1 39 39 VAL H H 39 8.120 8.120 7.833 0.287 18531 2272 1 9 . 1 1 40 40 ASP N N 40 128.000 128.000 127.548 0.452 18531 2273 1 9 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.843 0.047 18531 2274 1 9 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.313 -0.513 18531 2275 1 9 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.852 -0.752 18531 2276 1 9 . 1 1 40 40 ASP H H 40 8.770 8.770 8.524 0.246 18531 2277 1 9 . 1 1 41 41 GLY N N 41 107.100 107.100 109.674 -2.574 18531 2278 1 9 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.057 0.343 18531 2279 1 9 . 1 1 41 41 GLY H H 41 7.910 7.910 7.931 -0.021 18531 2280 1 9 . 1 1 42 42 VAL N N 42 120.300 120.300 121.928 -1.628 18531 2281 1 9 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.228 0.152 18531 2282 1 9 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.601 0.499 18531 2283 1 9 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.084 0.316 18531 2284 1 9 . 1 1 42 42 VAL H H 42 8.250 8.250 7.626 0.624 18531 2285 1 9 . 1 1 43 43 TRP N N 43 130.700 130.700 128.703 1.997 18531 2286 1 9 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.908 0.452 18531 2287 1 9 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.023 1.577 18531 2288 1 9 . 1 1 43 43 TRP CB C 43 30.200 30.200 28.057 2.143 18531 2289 1 9 . 1 1 43 43 TRP H H 43 9.360 9.360 8.745 0.615 18531 2290 1 9 . 1 1 44 44 THR N N 44 114.500 114.500 116.148 -1.648 18531 2291 1 9 . 1 1 44 44 THR HA H 44 4.830 4.830 4.629 0.201 18531 2292 1 9 . 1 1 44 44 THR CA C 44 60.300 60.300 61.624 -1.324 18531 2293 1 9 . 1 1 44 44 THR CB C 44 72.100 72.100 69.880 2.220 18531 2294 1 9 . 1 1 44 44 THR H H 44 9.400 9.400 7.792 1.608 18531 2295 1 9 . 1 1 45 45 TYR N N 45 120.100 120.100 125.574 -5.474 18531 2296 1 9 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.706 0.264 18531 2297 1 9 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.978 1.022 18531 2298 1 9 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.366 1.234 18531 2299 1 9 . 1 1 45 45 TYR H H 45 8.580 8.580 8.324 0.256 18531 2300 1 9 . 1 1 46 46 ASP N N 46 128.300 128.300 121.153 7.147 18531 2301 1 9 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.363 0.217 18531 2302 1 9 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.731 0.169 18531 2303 1 9 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.206 -1.106 18531 2304 1 9 . 1 1 46 46 ASP H H 46 7.580 7.580 8.144 -0.564 18531 2305 1 9 . 1 1 47 47 ASP N N 47 124.800 124.800 123.225 1.575 18531 2306 1 9 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.400 -0.290 18531 2307 1 9 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.279 0.221 18531 2308 1 9 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.154 0.945 18531 2309 1 9 . 1 1 47 47 ASP H H 47 8.590 8.590 8.437 0.153 18531 2310 1 9 . 1 1 48 48 ALA N N 48 119.700 119.700 120.738 -1.038 18531 2311 1 9 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.097 -0.007 18531 2312 1 9 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.084 0.916 18531 2313 1 9 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.758 -0.458 18531 2314 1 9 . 1 1 48 48 ALA H H 48 8.340 8.340 7.905 0.435 18531 2315 1 9 . 1 1 49 49 THR N N 49 103.200 103.200 111.800 -8.600 18531 2316 1 9 . 1 1 49 49 THR HA H 49 4.390 4.390 4.520 -0.130 18531 2317 1 9 . 1 1 49 49 THR CA C 49 60.200 60.200 60.584 -0.384 18531 2318 1 9 . 1 1 49 49 THR CB C 49 70.000 70.000 70.391 -0.391 18531 2319 1 9 . 1 1 49 49 THR H H 49 7.000 7.000 8.097 -1.097 18531 2320 1 9 . 1 1 50 50 LYS N N 50 123.100 123.100 118.780 4.320 18531 2321 1 9 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.920 -0.730 18531 2322 1 9 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.520 0.079 18531 2323 1 9 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.557 -4.957 18531 2324 1 9 . 1 1 50 50 LYS H H 50 7.860 7.860 8.411 -0.551 18531 2325 1 9 . 1 1 51 51 THR N N 51 111.200 111.200 117.671 -6.471 18531 2326 1 9 . 1 1 51 51 THR HA H 51 5.490 5.490 5.445 0.045 18531 2327 1 9 . 1 1 51 51 THR CA C 51 62.300 62.300 61.518 0.782 18531 2328 1 9 . 1 1 51 51 THR CB C 51 72.100 72.100 70.075 2.025 18531 2329 1 9 . 1 1 51 51 THR H H 51 7.390 7.390 8.099 -0.709 18531 2330 1 9 . 1 1 52 52 PHE N N 52 131.000 131.000 128.985 2.015 18531 2331 1 9 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.100 0.530 18531 2332 1 9 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.209 1.091 18531 2333 1 9 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.784 2.816 18531 2334 1 9 . 1 1 52 52 PHE H H 52 10.390 10.390 9.561 0.829 18531 2335 1 9 . 1 1 53 53 THR N N 53 117.400 117.400 121.829 -4.429 18531 2336 1 9 . 1 1 53 53 THR HA H 53 5.270 5.270 4.773 0.497 18531 2337 1 9 . 1 1 53 53 THR CA C 53 61.200 61.200 61.779 -0.579 18531 2338 1 9 . 1 1 53 53 THR CB C 53 71.000 71.000 69.330 1.670 18531 2339 1 9 . 1 1 53 53 THR H H 53 9.180 9.180 8.432 0.748 18531 2340 1 9 . 1 1 54 54 VAL N N 54 123.000 123.000 129.055 -6.055 18531 2341 1 9 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.674 -0.214 18531 2342 1 9 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.941 -0.841 18531 2343 1 9 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.315 -1.014 18531 2344 1 9 . 1 1 54 54 VAL H H 54 8.280 8.280 8.396 -0.116 18531 2345 1 9 . 1 1 55 55 THR N N 55 123.900 123.900 125.921 -2.021 18531 2346 1 9 . 1 1 55 55 THR HA H 55 4.700 4.700 4.718 -0.018 18531 2347 1 9 . 1 1 55 55 THR CA C 55 61.200 61.200 61.450 -0.250 18531 2348 1 9 . 1 1 55 55 THR CB C 55 70.700 70.700 70.231 0.469 18531 2349 1 9 . 1 1 55 55 THR H H 55 8.320 8.320 8.489 -0.169 18531 2350 1 10 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.937 0.113 18531 2351 1 10 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.664 0.936 18531 2352 1 10 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.853 1.847 18531 2353 1 10 . 1 1 2 2 GLN H H 2 8.410 8.410 8.207 0.203 18531 2354 1 10 . 1 1 3 3 TYR N N 3 124.000 124.000 124.644 -0.644 18531 2355 1 10 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.982 0.378 18531 2356 1 10 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.815 0.285 18531 2357 1 10 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.212 2.388 18531 2358 1 10 . 1 1 3 3 TYR H H 3 9.070 9.070 8.059 1.011 18531 2359 1 10 . 1 1 4 4 LYS N N 4 122.500 122.500 119.352 3.148 18531 2360 1 10 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.342 -0.122 18531 2361 1 10 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.063 0.937 18531 2362 1 10 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.740 -0.740 18531 2363 1 10 . 1 1 4 4 LYS H H 4 9.100 9.100 8.435 0.665 18531 2364 1 10 . 1 1 5 5 LEU N N 5 126.400 126.400 125.855 0.545 18531 2365 1 10 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.089 -0.119 18531 2366 1 10 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.089 -1.289 18531 2367 1 10 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.575 -1.975 18531 2368 1 10 . 1 1 5 5 LEU H H 5 8.620 8.620 8.363 0.257 18531 2369 1 10 . 1 1 6 6 VAL N N 6 127.000 127.000 127.514 -0.514 18531 2370 1 10 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.723 -0.563 18531 2371 1 10 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.825 1.475 18531 2372 1 10 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.766 -1.065 18531 2373 1 10 . 1 1 6 6 VAL H H 6 9.190 9.190 9.282 -0.092 18531 2374 1 10 . 1 1 7 7 ILE N N 7 125.400 125.400 126.257 -0.857 18531 2375 1 10 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.361 -0.271 18531 2376 1 10 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.687 0.014 18531 2377 1 10 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.188 0.812 18531 2378 1 10 . 1 1 7 7 ILE H H 7 8.800 8.800 9.061 -0.261 18531 2379 1 10 . 1 1 8 8 ASN N N 8 128.900 128.900 126.507 2.393 18531 2380 1 10 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.900 0.380 18531 2381 1 10 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.762 -1.962 18531 2382 1 10 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.087 0.014 18531 2383 1 10 . 1 1 8 8 ASN H H 8 8.990 8.990 8.400 0.590 18531 2384 1 10 . 1 1 9 9 GLY N N 9 110.200 110.200 108.852 1.348 18531 2385 1 10 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.495 0.205 18531 2386 1 10 . 1 1 9 9 GLY H H 9 7.920 7.920 7.549 0.371 18531 2387 1 10 . 1 1 10 10 LYS N N 10 120.700 120.700 118.488 2.212 18531 2388 1 10 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.229 -0.169 18531 2389 1 10 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.773 0.427 18531 2390 1 10 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.821 0.079 18531 2391 1 10 . 1 1 10 10 LYS H H 10 9.520 9.520 8.372 1.148 18531 2392 1 10 . 1 1 11 11 THR N N 11 108.900 108.900 109.397 -0.497 18531 2393 1 10 . 1 1 11 11 THR HA H 11 4.360 4.360 4.345 0.015 18531 2394 1 10 . 1 1 11 11 THR CA C 11 62.000 62.000 62.482 -0.482 18531 2395 1 10 . 1 1 11 11 THR CB C 11 69.800 69.800 69.409 0.391 18531 2396 1 10 . 1 1 11 11 THR H H 11 8.790 8.790 7.543 1.247 18531 2397 1 10 . 1 1 12 12 LEU N N 12 125.700 125.700 124.774 0.926 18531 2398 1 10 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.362 0.078 18531 2399 1 10 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.210 -0.210 18531 2400 1 10 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.513 0.787 18531 2401 1 10 . 1 1 12 12 LEU H H 12 7.580 7.580 7.876 -0.296 18531 2402 1 10 . 1 1 13 13 LYS N N 13 123.500 123.500 123.563 -0.063 18531 2403 1 10 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.431 -0.310 18531 2404 1 10 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.819 -0.919 18531 2405 1 10 . 1 1 13 13 LYS CB C 13 34.800 34.800 36.032 -1.232 18531 2406 1 10 . 1 1 13 13 LYS H H 13 8.140 8.140 8.260 -0.120 18531 2407 1 10 . 1 1 14 14 GLY N N 14 109.100 109.100 110.054 -0.954 18531 2408 1 10 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.973 -0.773 18531 2409 1 10 . 1 1 14 14 GLY H H 14 8.340 8.340 8.088 0.252 18531 2410 1 10 . 1 1 15 15 GLU N N 15 118.200 118.200 119.137 -0.937 18531 2411 1 10 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.580 0.020 18531 2412 1 10 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.629 -0.129 18531 2413 1 10 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.797 0.002 18531 2414 1 10 . 1 1 15 15 GLU H H 15 8.390 8.390 8.402 -0.012 18531 2415 1 10 . 1 1 16 16 THR N N 16 115.600 115.600 113.383 2.217 18531 2416 1 10 . 1 1 16 16 THR HA H 16 4.730 4.730 4.628 0.102 18531 2417 1 10 . 1 1 16 16 THR CA C 16 60.600 60.600 60.667 -0.067 18531 2418 1 10 . 1 1 16 16 THR CB C 16 69.500 69.500 70.579 -1.079 18531 2419 1 10 . 1 1 16 16 THR H H 16 8.820 8.820 8.309 0.511 18531 2420 1 10 . 1 1 17 17 THR N N 17 111.800 111.800 113.961 -2.161 18531 2421 1 10 . 1 1 17 17 THR HA H 17 5.790 5.790 5.714 0.076 18531 2422 1 10 . 1 1 17 17 THR CA C 17 59.800 59.800 60.381 -0.581 18531 2423 1 10 . 1 1 17 17 THR CB C 17 73.100 73.100 72.286 0.814 18531 2424 1 10 . 1 1 17 17 THR H H 17 8.140 8.140 8.209 -0.069 18531 2425 1 10 . 1 1 18 18 THR N N 18 115.100 115.100 113.975 1.125 18531 2426 1 10 . 1 1 18 18 THR HA H 18 4.640 4.640 4.547 0.093 18531 2427 1 10 . 1 1 18 18 THR CA C 18 61.900 61.900 61.232 0.668 18531 2428 1 10 . 1 1 18 18 THR CB C 18 70.000 70.000 69.179 0.821 18531 2429 1 10 . 1 1 18 18 THR H H 18 8.930 8.930 8.301 0.629 18531 2430 1 10 . 1 1 19 19 LYS N N 19 124.300 124.300 120.722 3.578 18531 2431 1 10 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.019 0.311 18531 2432 1 10 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.976 -0.976 18531 2433 1 10 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.907 -0.107 18531 2434 1 10 . 1 1 19 19 LYS H H 19 7.950 7.950 8.330 -0.380 18531 2435 1 10 . 1 1 20 20 ALA N N 20 124.600 124.600 126.471 -1.871 18531 2436 1 10 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.738 0.042 18531 2437 1 10 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.887 0.013 18531 2438 1 10 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.579 2.221 18531 2439 1 10 . 1 1 20 20 ALA H H 20 9.110 9.110 8.412 0.698 18531 2440 1 10 . 1 1 21 21 VAL N N 21 115.300 115.300 113.998 1.302 18531 2441 1 10 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.116 -0.006 18531 2442 1 10 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.658 -0.358 18531 2443 1 10 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.487 0.713 18531 2444 1 10 . 1 1 21 21 VAL H H 21 8.480 8.480 8.534 -0.054 18531 2445 1 10 . 1 1 22 22 ASP N N 22 115.200 115.200 114.750 0.450 18531 2446 1 10 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.701 0.009 18531 2447 1 10 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.929 -0.529 18531 2448 1 10 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.571 -0.371 18531 2449 1 10 . 1 1 22 22 ASP H H 22 7.310 7.310 7.501 -0.191 18531 2450 1 10 . 1 1 23 23 ALA N N 23 121.000 121.000 122.672 -1.672 18531 2451 1 10 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.483 -0.143 18531 2452 1 10 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.151 -0.251 18531 2453 1 10 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.527 -1.027 18531 2454 1 10 . 1 1 23 23 ALA H H 23 8.370 8.370 8.734 -0.364 18531 2455 1 10 . 1 1 24 24 GLU N N 24 118.900 118.900 119.148 -0.248 18531 2456 1 10 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.906 -0.046 18531 2457 1 10 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.372 0.328 18531 2458 1 10 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.907 0.193 18531 2459 1 10 . 1 1 24 24 GLU H H 24 8.410 8.410 8.039 0.371 18531 2460 1 10 . 1 1 25 25 THR N N 25 117.400 117.400 115.842 1.558 18531 2461 1 10 . 1 1 25 25 THR HA H 25 3.670 3.670 3.883 -0.213 18531 2462 1 10 . 1 1 25 25 THR CA C 25 66.800 66.800 66.171 0.629 18531 2463 1 10 . 1 1 25 25 THR CB C 25 68.000 68.000 68.492 -0.492 18531 2464 1 10 . 1 1 25 25 THR H H 25 8.380 8.380 8.790 -0.410 18531 2465 1 10 . 1 1 26 26 ALA N N 26 125.100 125.100 123.199 1.901 18531 2466 1 10 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.898 -0.708 18531 2467 1 10 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.348 0.652 18531 2468 1 10 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.967 -0.667 18531 2469 1 10 . 1 1 26 26 ALA H H 26 7.220 7.220 7.909 -0.689 18531 2470 1 10 . 1 1 27 27 GLU N N 27 117.400 117.400 119.574 -2.174 18531 2471 1 10 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.725 -1.135 18531 2472 1 10 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.461 0.239 18531 2473 1 10 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.151 0.049 18531 2474 1 10 . 1 1 27 27 GLU H H 27 8.370 8.370 8.074 0.296 18531 2475 1 10 . 1 1 28 28 LYS N N 28 116.300 116.300 118.473 -2.173 18531 2476 1 10 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.877 -0.207 18531 2477 1 10 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.094 0.506 18531 2478 1 10 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.201 -0.001 18531 2479 1 10 . 1 1 28 28 LYS H H 28 7.170 7.170 7.848 -0.678 18531 2480 1 10 . 1 1 29 29 ALA N N 29 122.000 122.000 118.807 3.193 18531 2481 1 10 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.234 -0.144 18531 2482 1 10 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.096 0.604 18531 2483 1 10 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.640 -1.140 18531 2484 1 10 . 1 1 29 29 ALA H H 29 7.200 7.200 7.096 0.104 18531 2485 1 10 . 1 1 30 30 PHE N N 30 119.600 119.600 118.187 1.413 18531 2486 1 10 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.341 0.439 18531 2487 1 10 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.561 -2.961 18531 2488 1 10 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.755 -1.355 18531 2489 1 10 . 1 1 30 30 PHE H H 30 8.610 8.610 7.879 0.731 18531 2490 1 10 . 1 1 31 31 LYS N N 31 122.800 122.800 117.712 5.088 18531 2491 1 10 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.025 0.065 18531 2492 1 10 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.126 1.574 18531 2493 1 10 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.915 -0.315 18531 2494 1 10 . 1 1 31 31 LYS H H 31 9.030 9.030 7.858 1.172 18531 2495 1 10 . 1 1 32 32 GLN N N 32 119.600 119.600 119.460 0.140 18531 2496 1 10 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.193 -0.163 18531 2497 1 10 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.547 0.153 18531 2498 1 10 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.700 -0.600 18531 2499 1 10 . 1 1 32 32 GLN H H 32 7.510 7.510 7.454 0.056 18531 2500 1 10 . 1 1 33 33 TYR N N 33 120.400 120.400 121.800 -1.400 18531 2501 1 10 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.042 0.208 18531 2502 1 10 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.782 0.018 18531 2503 1 10 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.354 0.346 18531 2504 1 10 . 1 1 33 33 TYR H H 33 8.080 8.080 7.716 0.364 18531 2505 1 10 . 1 1 34 34 ALA N N 34 122.300 122.300 119.398 2.902 18531 2506 1 10 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.899 -0.119 18531 2507 1 10 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.517 0.583 18531 2508 1 10 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.285 -0.585 18531 2509 1 10 . 1 1 34 34 ALA H H 34 9.210 9.210 8.177 1.033 18531 2510 1 10 . 1 1 35 35 ASN N N 35 117.700 117.700 117.591 0.109 18531 2511 1 10 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.489 -0.029 18531 2512 1 10 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.979 1.021 18531 2513 1 10 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.220 0.780 18531 2514 1 10 . 1 1 35 35 ASN H H 35 8.390 8.390 8.129 0.261 18531 2515 1 10 . 1 1 36 36 ASP N N 36 121.100 121.100 119.606 1.494 18531 2516 1 10 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531 2517 1 10 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.631 0.069 18531 2518 1 10 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.926 -0.926 18531 2519 1 10 . 1 1 36 36 ASP H H 36 8.830 8.830 8.721 0.109 18531 2520 1 10 . 1 1 37 37 ASN N N 37 115.200 115.200 114.961 0.239 18531 2521 1 10 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.777 -0.167 18531 2522 1 10 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.806 0.894 18531 2523 1 10 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.941 1.059 18531 2524 1 10 . 1 1 37 37 ASN H H 37 7.390 7.390 7.632 -0.242 18531 2525 1 10 . 1 1 38 38 GLY N N 38 108.200 108.200 108.853 -0.653 18531 2526 1 10 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.216 0.184 18531 2527 1 10 . 1 1 38 38 GLY H H 38 7.800 7.800 8.234 -0.434 18531 2528 1 10 . 1 1 39 39 VAL N N 39 120.800 120.800 119.788 1.012 18531 2529 1 10 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.335 -0.195 18531 2530 1 10 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.674 0.026 18531 2531 1 10 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.810 0.489 18531 2532 1 10 . 1 1 39 39 VAL H H 39 8.120 8.120 8.064 0.056 18531 2533 1 10 . 1 1 40 40 ASP N N 40 128.000 128.000 127.439 0.561 18531 2534 1 10 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.806 0.084 18531 2535 1 10 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.441 0.359 18531 2536 1 10 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.415 -1.315 18531 2537 1 10 . 1 1 40 40 ASP H H 40 8.770 8.770 8.860 -0.090 18531 2538 1 10 . 1 1 41 41 GLY N N 41 107.100 107.100 107.377 -0.277 18531 2539 1 10 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.850 0.550 18531 2540 1 10 . 1 1 41 41 GLY H H 41 7.910 7.910 7.995 -0.085 18531 2541 1 10 . 1 1 42 42 VAL N N 42 120.300 120.300 122.408 -2.108 18531 2542 1 10 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.257 0.123 18531 2543 1 10 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.623 0.477 18531 2544 1 10 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.410 0.990 18531 2545 1 10 . 1 1 42 42 VAL H H 42 8.250 8.250 7.776 0.474 18531 2546 1 10 . 1 1 43 43 TRP N N 43 130.700 130.700 129.463 1.237 18531 2547 1 10 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.772 0.588 18531 2548 1 10 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.736 0.864 18531 2549 1 10 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.169 0.031 18531 2550 1 10 . 1 1 43 43 TRP H H 43 9.360 9.360 8.668 0.692 18531 2551 1 10 . 1 1 44 44 THR N N 44 114.500 114.500 116.059 -1.559 18531 2552 1 10 . 1 1 44 44 THR HA H 44 4.830 4.830 4.795 0.035 18531 2553 1 10 . 1 1 44 44 THR CA C 44 60.300 60.300 61.120 -0.820 18531 2554 1 10 . 1 1 44 44 THR CB C 44 72.100 72.100 70.846 1.254 18531 2555 1 10 . 1 1 44 44 THR H H 44 9.400 9.400 8.827 0.573 18531 2556 1 10 . 1 1 45 45 TYR N N 45 120.100 120.100 119.073 1.027 18531 2557 1 10 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.249 -0.279 18531 2558 1 10 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.569 -0.569 18531 2559 1 10 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.945 0.655 18531 2560 1 10 . 1 1 45 45 TYR H H 45 8.580 8.580 8.082 0.498 18531 2561 1 10 . 1 1 46 46 ASP N N 46 128.300 128.300 121.817 6.483 18531 2562 1 10 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.695 -0.115 18531 2563 1 10 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.157 -0.257 18531 2564 1 10 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.620 -0.520 18531 2565 1 10 . 1 1 46 46 ASP H H 46 7.580 7.580 8.768 -1.188 18531 2566 1 10 . 1 1 47 47 ASP N N 47 124.800 124.800 126.177 -1.377 18531 2567 1 10 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.539 -0.429 18531 2568 1 10 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.608 -0.108 18531 2569 1 10 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.220 0.880 18531 2570 1 10 . 1 1 47 47 ASP H H 47 8.590 8.590 8.707 -0.117 18531 2571 1 10 . 1 1 48 48 ALA N N 48 119.700 119.700 121.267 -1.567 18531 2572 1 10 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.129 -0.039 18531 2573 1 10 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.959 1.041 18531 2574 1 10 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.075 -0.775 18531 2575 1 10 . 1 1 48 48 ALA H H 48 8.340 8.340 8.132 0.208 18531 2576 1 10 . 1 1 49 49 THR N N 49 103.200 103.200 110.973 -7.773 18531 2577 1 10 . 1 1 49 49 THR HA H 49 4.390 4.390 4.516 -0.126 18531 2578 1 10 . 1 1 49 49 THR CA C 49 60.200 60.200 60.830 -0.630 18531 2579 1 10 . 1 1 49 49 THR CB C 49 70.000 70.000 70.233 -0.233 18531 2580 1 10 . 1 1 49 49 THR H H 49 7.000 7.000 7.556 -0.556 18531 2581 1 10 . 1 1 50 50 LYS N N 50 123.100 123.100 119.185 3.915 18531 2582 1 10 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.746 -0.556 18531 2583 1 10 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.775 0.825 18531 2584 1 10 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.333 -4.733 18531 2585 1 10 . 1 1 50 50 LYS H H 50 7.860 7.860 8.320 -0.460 18531 2586 1 10 . 1 1 51 51 THR N N 51 111.200 111.200 116.707 -5.507 18531 2587 1 10 . 1 1 51 51 THR HA H 51 5.490 5.490 4.599 0.891 18531 2588 1 10 . 1 1 51 51 THR CA C 51 62.300 62.300 61.627 0.673 18531 2589 1 10 . 1 1 51 51 THR CB C 51 72.100 72.100 70.155 1.945 18531 2590 1 10 . 1 1 51 51 THR H H 51 7.390 7.390 7.901 -0.511 18531 2591 1 10 . 1 1 52 52 PHE N N 52 131.000 131.000 126.215 4.785 18531 2592 1 10 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.369 0.261 18531 2593 1 10 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.697 2.603 18531 2594 1 10 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.827 0.773 18531 2595 1 10 . 1 1 52 52 PHE H H 52 10.390 10.390 8.680 1.710 18531 2596 1 10 . 1 1 53 53 THR N N 53 117.400 117.400 117.464 -0.064 18531 2597 1 10 . 1 1 53 53 THR HA H 53 5.270 5.270 5.245 0.025 18531 2598 1 10 . 1 1 53 53 THR CA C 53 61.200 61.200 61.731 -0.531 18531 2599 1 10 . 1 1 53 53 THR CB C 53 71.000 71.000 71.803 -0.803 18531 2600 1 10 . 1 1 53 53 THR H H 53 9.180 9.180 8.796 0.384 18531 2601 1 10 . 1 1 54 54 VAL N N 54 123.000 123.000 123.998 -0.998 18531 2602 1 10 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.427 0.033 18531 2603 1 10 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.394 -1.294 18531 2604 1 10 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.562 -1.262 18531 2605 1 10 . 1 1 54 54 VAL H H 54 8.280 8.280 8.286 -0.006 18531 2606 1 10 . 1 1 55 55 THR N N 55 123.900 123.900 124.998 -1.098 18531 2607 1 10 . 1 1 55 55 THR HA H 55 4.700 4.700 4.668 0.032 18531 2608 1 10 . 1 1 55 55 THR CA C 55 61.200 61.200 60.966 0.234 18531 2609 1 10 . 1 1 55 55 THR CB C 55 70.700 70.700 70.713 -0.013 18531 2610 1 10 . 1 1 55 55 THR H H 55 8.320 8.320 8.386 -0.066 18531 2611 1 11 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.914 0.136 18531 2612 1 11 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.903 1.698 18531 2613 1 11 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.238 0.462 18531 2614 1 11 . 1 1 2 2 GLN H H 2 8.410 8.410 8.205 0.205 18531 2615 1 11 . 1 1 3 3 TYR N N 3 124.000 124.000 121.566 2.434 18531 2616 1 11 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.944 0.416 18531 2617 1 11 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.349 1.751 18531 2618 1 11 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.419 3.182 18531 2619 1 11 . 1 1 3 3 TYR H H 3 9.070 9.070 8.798 0.272 18531 2620 1 11 . 1 1 4 4 LYS N N 4 122.500 122.500 122.551 -0.051 18531 2621 1 11 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.374 -0.154 18531 2622 1 11 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.226 0.774 18531 2623 1 11 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.883 0.117 18531 2624 1 11 . 1 1 4 4 LYS H H 4 9.100 9.100 8.502 0.598 18531 2625 1 11 . 1 1 5 5 LEU N N 5 126.400 126.400 125.081 1.319 18531 2626 1 11 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.182 -0.212 18531 2627 1 11 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.050 -0.250 18531 2628 1 11 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.184 -3.583 18531 2629 1 11 . 1 1 5 5 LEU H H 5 8.620 8.620 8.856 -0.236 18531 2630 1 11 . 1 1 6 6 VAL N N 6 127.000 127.000 123.522 3.478 18531 2631 1 11 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.734 -0.574 18531 2632 1 11 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.752 1.548 18531 2633 1 11 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.267 -2.567 18531 2634 1 11 . 1 1 6 6 VAL H H 6 9.190 9.190 8.916 0.274 18531 2635 1 11 . 1 1 7 7 ILE N N 7 125.400 125.400 125.937 -0.537 18531 2636 1 11 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.554 -0.464 18531 2637 1 11 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.501 0.200 18531 2638 1 11 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.517 0.482 18531 2639 1 11 . 1 1 7 7 ILE H H 7 8.800 8.800 9.167 -0.367 18531 2640 1 11 . 1 1 8 8 ASN N N 8 128.900 128.900 125.972 2.928 18531 2641 1 11 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.986 0.294 18531 2642 1 11 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.598 -1.798 18531 2643 1 11 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.891 -0.791 18531 2644 1 11 . 1 1 8 8 ASN H H 8 8.990 8.990 8.705 0.285 18531 2645 1 11 . 1 1 9 9 GLY N N 9 110.200 110.200 108.587 1.613 18531 2646 1 11 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.806 -0.106 18531 2647 1 11 . 1 1 9 9 GLY H H 9 7.920 7.920 7.780 0.140 18531 2648 1 11 . 1 1 10 10 LYS N N 10 120.700 120.700 118.987 1.713 18531 2649 1 11 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.353 -0.293 18531 2650 1 11 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.242 0.958 18531 2651 1 11 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.954 -0.054 18531 2652 1 11 . 1 1 10 10 LYS H H 10 9.520 9.520 8.361 1.159 18531 2653 1 11 . 1 1 11 11 THR N N 11 108.900 108.900 112.872 -3.972 18531 2654 1 11 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.069 18531 2655 1 11 . 1 1 11 11 THR CA C 11 62.000 62.000 61.647 0.353 18531 2656 1 11 . 1 1 11 11 THR CB C 11 69.800 69.800 69.289 0.511 18531 2657 1 11 . 1 1 11 11 THR H H 11 8.790 8.790 7.689 1.101 18531 2658 1 11 . 1 1 12 12 LEU N N 12 125.700 125.700 124.472 1.228 18531 2659 1 11 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.556 -0.116 18531 2660 1 11 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.967 0.033 18531 2661 1 11 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.068 -0.768 18531 2662 1 11 . 1 1 12 12 LEU H H 12 7.580 7.580 7.602 -0.022 18531 2663 1 11 . 1 1 13 13 LYS N N 13 123.500 123.500 123.842 -0.342 18531 2664 1 11 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.632 -0.512 18531 2665 1 11 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.538 -0.638 18531 2666 1 11 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.598 -0.798 18531 2667 1 11 . 1 1 13 13 LYS H H 13 8.140 8.140 8.349 -0.209 18531 2668 1 11 . 1 1 14 14 GLY N N 14 109.100 109.100 109.895 -0.795 18531 2669 1 11 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.561 -0.361 18531 2670 1 11 . 1 1 14 14 GLY H H 14 8.340 8.340 8.083 0.257 18531 2671 1 11 . 1 1 15 15 GLU N N 15 118.200 118.200 118.093 0.107 18531 2672 1 11 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.456 0.144 18531 2673 1 11 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.001 -0.501 18531 2674 1 11 . 1 1 15 15 GLU CB C 15 33.800 33.800 34.055 -0.255 18531 2675 1 11 . 1 1 15 15 GLU H H 15 8.390 8.390 8.459 -0.069 18531 2676 1 11 . 1 1 16 16 THR N N 16 115.600 115.600 113.899 1.701 18531 2677 1 11 . 1 1 16 16 THR HA H 16 4.730 4.730 4.667 0.063 18531 2678 1 11 . 1 1 16 16 THR CA C 16 60.600 60.600 60.714 -0.114 18531 2679 1 11 . 1 1 16 16 THR CB C 16 69.500 69.500 70.774 -1.274 18531 2680 1 11 . 1 1 16 16 THR H H 16 8.820 8.820 8.648 0.172 18531 2681 1 11 . 1 1 17 17 THR N N 17 111.800 111.800 114.305 -2.505 18531 2682 1 11 . 1 1 17 17 THR HA H 17 5.790 5.790 5.708 0.082 18531 2683 1 11 . 1 1 17 17 THR CA C 17 59.800 59.800 60.024 -0.224 18531 2684 1 11 . 1 1 17 17 THR CB C 17 73.100 73.100 72.662 0.438 18531 2685 1 11 . 1 1 17 17 THR H H 17 8.140 8.140 8.199 -0.059 18531 2686 1 11 . 1 1 18 18 THR N N 18 115.100 115.100 114.612 0.488 18531 2687 1 11 . 1 1 18 18 THR HA H 18 4.640 4.640 4.530 0.110 18531 2688 1 11 . 1 1 18 18 THR CA C 18 61.900 61.900 61.877 0.023 18531 2689 1 11 . 1 1 18 18 THR CB C 18 70.000 70.000 71.183 -1.183 18531 2690 1 11 . 1 1 18 18 THR H H 18 8.930 8.930 8.518 0.412 18531 2691 1 11 . 1 1 19 19 LYS N N 19 124.300 124.300 125.973 -1.673 18531 2692 1 11 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.514 0.816 18531 2693 1 11 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.141 -0.141 18531 2694 1 11 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.569 0.231 18531 2695 1 11 . 1 1 19 19 LYS H H 19 7.950 7.950 8.368 -0.418 18531 2696 1 11 . 1 1 20 20 ALA N N 20 124.600 124.600 128.785 -4.185 18531 2697 1 11 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.689 0.091 18531 2698 1 11 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.255 -0.355 18531 2699 1 11 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.905 1.895 18531 2700 1 11 . 1 1 20 20 ALA H H 20 9.110 9.110 8.082 1.028 18531 2701 1 11 . 1 1 21 21 VAL N N 21 115.300 115.300 115.332 -0.032 18531 2702 1 11 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.240 -0.130 18531 2703 1 11 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.108 0.191 18531 2704 1 11 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.458 0.742 18531 2705 1 11 . 1 1 21 21 VAL H H 21 8.480 8.480 8.393 0.087 18531 2706 1 11 . 1 1 22 22 ASP N N 22 115.200 115.200 118.483 -3.283 18531 2707 1 11 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.718 -0.008 18531 2708 1 11 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.924 -1.524 18531 2709 1 11 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.071 -0.871 18531 2710 1 11 . 1 1 22 22 ASP H H 22 7.310 7.310 7.536 -0.226 18531 2711 1 11 . 1 1 23 23 ALA N N 23 121.000 121.000 127.185 -6.185 18531 2712 1 11 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.911 -0.571 18531 2713 1 11 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.208 -0.308 18531 2714 1 11 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.268 -0.768 18531 2715 1 11 . 1 1 23 23 ALA H H 23 8.370 8.370 8.736 -0.366 18531 2716 1 11 . 1 1 24 24 GLU N N 24 118.900 118.900 117.046 1.854 18531 2717 1 11 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.939 -0.079 18531 2718 1 11 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.694 1.006 18531 2719 1 11 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.229 0.871 18531 2720 1 11 . 1 1 24 24 GLU H H 24 8.410 8.410 8.750 -0.340 18531 2721 1 11 . 1 1 25 25 THR N N 25 117.400 117.400 117.387 0.013 18531 2722 1 11 . 1 1 25 25 THR HA H 25 3.670 3.670 4.082 -0.412 18531 2723 1 11 . 1 1 25 25 THR CA C 25 66.800 66.800 65.924 0.877 18531 2724 1 11 . 1 1 25 25 THR CB C 25 68.000 68.000 68.648 -0.648 18531 2725 1 11 . 1 1 25 25 THR H H 25 8.380 8.380 7.742 0.638 18531 2726 1 11 . 1 1 26 26 ALA N N 26 125.100 125.100 123.377 1.723 18531 2727 1 11 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.940 -0.750 18531 2728 1 11 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.749 0.251 18531 2729 1 11 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.294 -0.994 18531 2730 1 11 . 1 1 26 26 ALA H H 26 7.220 7.220 8.228 -1.008 18531 2731 1 11 . 1 1 27 27 GLU N N 27 117.400 117.400 119.047 -1.647 18531 2732 1 11 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.066 -1.476 18531 2733 1 11 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.228 -0.528 18531 2734 1 11 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.300 -0.100 18531 2735 1 11 . 1 1 27 27 GLU H H 27 8.370 8.370 8.283 0.087 18531 2736 1 11 . 1 1 28 28 LYS N N 28 116.300 116.300 118.482 -2.182 18531 2737 1 11 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.910 -0.240 18531 2738 1 11 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.357 0.243 18531 2739 1 11 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.797 0.403 18531 2740 1 11 . 1 1 28 28 LYS H H 28 7.170 7.170 7.938 -0.768 18531 2741 1 11 . 1 1 29 29 ALA N N 29 122.000 122.000 122.111 -0.111 18531 2742 1 11 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.060 0.030 18531 2743 1 11 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.962 -0.262 18531 2744 1 11 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.947 -0.447 18531 2745 1 11 . 1 1 29 29 ALA H H 29 7.200 7.200 7.375 -0.175 18531 2746 1 11 . 1 1 30 30 PHE N N 30 119.600 119.600 117.298 2.302 18531 2747 1 11 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.371 0.409 18531 2748 1 11 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.361 -4.761 18531 2749 1 11 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.700 -1.300 18531 2750 1 11 . 1 1 30 30 PHE H H 30 8.610 8.610 7.873 0.737 18531 2751 1 11 . 1 1 31 31 LYS N N 31 122.800 122.800 119.320 3.480 18531 2752 1 11 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.235 -0.145 18531 2753 1 11 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.903 -0.203 18531 2754 1 11 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.858 -0.258 18531 2755 1 11 . 1 1 31 31 LYS H H 31 9.030 9.030 8.583 0.447 18531 2756 1 11 . 1 1 32 32 GLN N N 32 119.600 119.600 119.328 0.272 18531 2757 1 11 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.069 -0.039 18531 2758 1 11 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.996 -0.296 18531 2759 1 11 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.533 -0.433 18531 2760 1 11 . 1 1 32 32 GLN H H 32 7.510 7.510 8.587 -1.077 18531 2761 1 11 . 1 1 33 33 TYR N N 33 120.400 120.400 119.748 0.652 18531 2762 1 11 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.554 -0.304 18531 2763 1 11 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.691 1.109 18531 2764 1 11 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.259 0.441 18531 2765 1 11 . 1 1 33 33 TYR H H 33 8.080 8.080 8.042 0.038 18531 2766 1 11 . 1 1 34 34 ALA N N 34 122.300 122.300 121.708 0.592 18531 2767 1 11 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.034 -0.254 18531 2768 1 11 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.076 1.024 18531 2769 1 11 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.365 -0.665 18531 2770 1 11 . 1 1 34 34 ALA H H 34 9.210 9.210 7.557 1.653 18531 2771 1 11 . 1 1 35 35 ASN N N 35 117.700 117.700 117.253 0.447 18531 2772 1 11 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.469 -0.009 18531 2773 1 11 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.860 1.140 18531 2774 1 11 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.270 0.730 18531 2775 1 11 . 1 1 35 35 ASN H H 35 8.390 8.390 8.111 0.279 18531 2776 1 11 . 1 1 36 36 ASP N N 36 121.100 121.100 121.259 -0.159 18531 2777 1 11 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.378 -0.018 18531 2778 1 11 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.693 0.007 18531 2779 1 11 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.324 -0.324 18531 2780 1 11 . 1 1 36 36 ASP H H 36 8.830 8.830 8.125 0.705 18531 2781 1 11 . 1 1 37 37 ASN N N 37 115.200 115.200 114.947 0.253 18531 2782 1 11 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.819 -0.209 18531 2783 1 11 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.691 1.009 18531 2784 1 11 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.031 0.969 18531 2785 1 11 . 1 1 37 37 ASN H H 37 7.390 7.390 7.477 -0.087 18531 2786 1 11 . 1 1 38 38 GLY N N 38 108.200 108.200 109.175 -0.975 18531 2787 1 11 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.256 0.144 18531 2788 1 11 . 1 1 38 38 GLY H H 38 7.800 7.800 8.237 -0.437 18531 2789 1 11 . 1 1 39 39 VAL N N 39 120.800 120.800 119.968 0.832 18531 2790 1 11 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.400 -0.260 18531 2791 1 11 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.112 0.588 18531 2792 1 11 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.324 1.976 18531 2793 1 11 . 1 1 39 39 VAL H H 39 8.120 8.120 8.071 0.049 18531 2794 1 11 . 1 1 40 40 ASP N N 40 128.000 128.000 127.670 0.330 18531 2795 1 11 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.008 -0.118 18531 2796 1 11 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.857 -0.057 18531 2797 1 11 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.696 -1.596 18531 2798 1 11 . 1 1 40 40 ASP H H 40 8.770 8.770 9.250 -0.480 18531 2799 1 11 . 1 1 41 41 GLY N N 41 107.100 107.100 108.809 -1.709 18531 2800 1 11 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.282 0.118 18531 2801 1 11 . 1 1 41 41 GLY H H 41 7.910 7.910 8.162 -0.252 18531 2802 1 11 . 1 1 42 42 VAL N N 42 120.300 120.300 122.132 -1.832 18531 2803 1 11 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.505 -0.125 18531 2804 1 11 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.029 2.071 18531 2805 1 11 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.033 0.367 18531 2806 1 11 . 1 1 42 42 VAL H H 42 8.250 8.250 8.078 0.172 18531 2807 1 11 . 1 1 43 43 TRP N N 43 130.700 130.700 128.366 2.334 18531 2808 1 11 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.930 0.430 18531 2809 1 11 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.346 1.254 18531 2810 1 11 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.080 -0.880 18531 2811 1 11 . 1 1 43 43 TRP H H 43 9.360 9.360 8.544 0.816 18531 2812 1 11 . 1 1 44 44 THR N N 44 114.500 114.500 116.138 -1.638 18531 2813 1 11 . 1 1 44 44 THR HA H 44 4.830 4.830 4.512 0.318 18531 2814 1 11 . 1 1 44 44 THR CA C 44 60.300 60.300 61.647 -1.347 18531 2815 1 11 . 1 1 44 44 THR CB C 44 72.100 72.100 70.834 1.266 18531 2816 1 11 . 1 1 44 44 THR H H 44 9.400 9.400 8.557 0.843 18531 2817 1 11 . 1 1 45 45 TYR N N 45 120.100 120.100 125.091 -4.991 18531 2818 1 11 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.741 0.229 18531 2819 1 11 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.282 -0.282 18531 2820 1 11 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.798 0.802 18531 2821 1 11 . 1 1 45 45 TYR H H 45 8.580 8.580 8.124 0.456 18531 2822 1 11 . 1 1 46 46 ASP N N 46 128.300 128.300 124.995 3.305 18531 2823 1 11 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.429 0.151 18531 2824 1 11 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.945 -0.045 18531 2825 1 11 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.378 -1.278 18531 2826 1 11 . 1 1 46 46 ASP H H 46 7.580 7.580 8.439 -0.859 18531 2827 1 11 . 1 1 47 47 ASP N N 47 124.800 124.800 123.413 1.387 18531 2828 1 11 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.452 -0.342 18531 2829 1 11 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.499 0.001 18531 2830 1 11 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.136 0.964 18531 2831 1 11 . 1 1 47 47 ASP H H 47 8.590 8.590 8.420 0.170 18531 2832 1 11 . 1 1 48 48 ALA N N 48 119.700 119.700 122.527 -2.827 18531 2833 1 11 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.158 -0.068 18531 2834 1 11 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.008 0.992 18531 2835 1 11 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.094 -0.794 18531 2836 1 11 . 1 1 48 48 ALA H H 48 8.340 8.340 8.474 -0.134 18531 2837 1 11 . 1 1 49 49 THR N N 49 103.200 103.200 113.132 -9.932 18531 2838 1 11 . 1 1 49 49 THR HA H 49 4.390 4.390 4.418 -0.028 18531 2839 1 11 . 1 1 49 49 THR CA C 49 60.200 60.200 61.913 -1.713 18531 2840 1 11 . 1 1 49 49 THR CB C 49 70.000 70.000 69.951 0.049 18531 2841 1 11 . 1 1 49 49 THR H H 49 7.000 7.000 7.985 -0.985 18531 2842 1 11 . 1 1 50 50 LYS N N 50 123.100 123.100 119.869 3.231 18531 2843 1 11 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.347 -0.157 18531 2844 1 11 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.705 0.895 18531 2845 1 11 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.164 -4.564 18531 2846 1 11 . 1 1 50 50 LYS H H 50 7.860 7.860 8.373 -0.513 18531 2847 1 11 . 1 1 51 51 THR N N 51 111.200 111.200 115.205 -4.005 18531 2848 1 11 . 1 1 51 51 THR HA H 51 5.490 5.490 4.773 0.717 18531 2849 1 11 . 1 1 51 51 THR CA C 51 62.300 62.300 61.370 0.930 18531 2850 1 11 . 1 1 51 51 THR CB C 51 72.100 72.100 69.540 2.560 18531 2851 1 11 . 1 1 51 51 THR H H 51 7.390 7.390 7.580 -0.190 18531 2852 1 11 . 1 1 52 52 PHE N N 52 131.000 131.000 126.742 4.258 18531 2853 1 11 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.763 0.867 18531 2854 1 11 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.569 2.731 18531 2855 1 11 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.546 2.054 18531 2856 1 11 . 1 1 52 52 PHE H H 52 10.390 10.390 8.281 2.109 18531 2857 1 11 . 1 1 53 53 THR N N 53 117.400 117.400 116.473 0.927 18531 2858 1 11 . 1 1 53 53 THR HA H 53 5.270 5.270 4.837 0.433 18531 2859 1 11 . 1 1 53 53 THR CA C 53 61.200 61.200 62.028 -0.828 18531 2860 1 11 . 1 1 53 53 THR CB C 53 71.000 71.000 71.149 -0.149 18531 2861 1 11 . 1 1 53 53 THR H H 53 9.180 9.180 8.809 0.371 18531 2862 1 11 . 1 1 54 54 VAL N N 54 123.000 123.000 127.264 -4.264 18531 2863 1 11 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.118 0.342 18531 2864 1 11 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.603 -2.503 18531 2865 1 11 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.473 -1.173 18531 2866 1 11 . 1 1 54 54 VAL H H 54 8.280 8.280 8.988 -0.708 18531 2867 1 11 . 1 1 55 55 THR N N 55 123.900 123.900 118.894 5.006 18531 2868 1 11 . 1 1 55 55 THR HA H 55 4.700 4.700 4.757 -0.057 18531 2869 1 11 . 1 1 55 55 THR CA C 55 61.200 61.200 59.336 1.864 18531 2870 1 11 . 1 1 55 55 THR CB C 55 70.700 70.700 71.341 -0.641 18531 2871 1 11 . 1 1 55 55 THR H H 55 8.320 8.320 8.339 -0.019 18531 2872 1 12 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.260 -0.210 18531 2873 1 12 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.213 1.387 18531 2874 1 12 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.366 0.334 18531 2875 1 12 . 1 1 2 2 GLN H H 2 8.410 8.410 8.110 0.300 18531 2876 1 12 . 1 1 3 3 TYR N N 3 124.000 124.000 123.601 0.399 18531 2877 1 12 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.200 0.160 18531 2878 1 12 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.497 0.603 18531 2879 1 12 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.036 1.564 18531 2880 1 12 . 1 1 3 3 TYR H H 3 9.070 9.070 8.332 0.738 18531 2881 1 12 . 1 1 4 4 LYS N N 4 122.500 122.500 120.139 2.361 18531 2882 1 12 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.426 -0.206 18531 2883 1 12 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.229 0.771 18531 2884 1 12 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.635 -0.635 18531 2885 1 12 . 1 1 4 4 LYS H H 4 9.100 9.100 8.891 0.209 18531 2886 1 12 . 1 1 5 5 LEU N N 5 126.400 126.400 125.851 0.549 18531 2887 1 12 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.039 -0.069 18531 2888 1 12 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.698 -0.898 18531 2889 1 12 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.002 -1.402 18531 2890 1 12 . 1 1 5 5 LEU H H 5 8.620 8.620 8.237 0.383 18531 2891 1 12 . 1 1 6 6 VAL N N 6 127.000 127.000 127.192 -0.192 18531 2892 1 12 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.712 -0.552 18531 2893 1 12 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.592 0.709 18531 2894 1 12 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.789 -1.089 18531 2895 1 12 . 1 1 6 6 VAL H H 6 9.190 9.190 9.306 -0.116 18531 2896 1 12 . 1 1 7 7 ILE N N 7 125.400 125.400 126.514 -1.114 18531 2897 1 12 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.307 -0.217 18531 2898 1 12 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.645 0.055 18531 2899 1 12 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.114 0.886 18531 2900 1 12 . 1 1 7 7 ILE H H 7 8.800 8.800 8.694 0.106 18531 2901 1 12 . 1 1 8 8 ASN N N 8 128.900 128.900 125.655 3.245 18531 2902 1 12 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.953 0.327 18531 2903 1 12 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.221 -1.421 18531 2904 1 12 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.109 -1.009 18531 2905 1 12 . 1 1 8 8 ASN H H 8 8.990 8.990 8.117 0.873 18531 2906 1 12 . 1 1 9 9 GLY N N 9 110.200 110.200 108.988 1.212 18531 2907 1 12 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.650 0.050 18531 2908 1 12 . 1 1 9 9 GLY H H 9 7.920 7.920 7.590 0.330 18531 2909 1 12 . 1 1 10 10 LYS N N 10 120.700 120.700 120.170 0.530 18531 2910 1 12 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.300 -0.240 18531 2911 1 12 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.051 0.149 18531 2912 1 12 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.261 -0.361 18531 2913 1 12 . 1 1 10 10 LYS H H 10 9.520 9.520 8.083 1.437 18531 2914 1 12 . 1 1 11 11 THR N N 11 108.900 108.900 113.124 -4.224 18531 2915 1 12 . 1 1 11 11 THR HA H 11 4.360 4.360 4.475 -0.115 18531 2916 1 12 . 1 1 11 11 THR CA C 11 62.000 62.000 61.771 0.229 18531 2917 1 12 . 1 1 11 11 THR CB C 11 69.800 69.800 69.645 0.155 18531 2918 1 12 . 1 1 11 11 THR H H 11 8.790 8.790 8.150 0.640 18531 2919 1 12 . 1 1 12 12 LEU N N 12 125.700 125.700 124.582 1.118 18531 2920 1 12 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.565 -0.125 18531 2921 1 12 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.866 0.134 18531 2922 1 12 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.016 -0.716 18531 2923 1 12 . 1 1 12 12 LEU H H 12 7.580 7.580 7.610 -0.030 18531 2924 1 12 . 1 1 13 13 LYS N N 13 123.500 123.500 123.914 -0.414 18531 2925 1 12 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.626 -0.506 18531 2926 1 12 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.581 -0.680 18531 2927 1 12 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.514 -0.714 18531 2928 1 12 . 1 1 13 13 LYS H H 13 8.140 8.140 8.354 -0.214 18531 2929 1 12 . 1 1 14 14 GLY N N 14 109.100 109.100 110.051 -0.951 18531 2930 1 12 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.716 -0.516 18531 2931 1 12 . 1 1 14 14 GLY H H 14 8.340 8.340 8.189 0.151 18531 2932 1 12 . 1 1 15 15 GLU N N 15 118.200 118.200 118.821 -0.621 18531 2933 1 12 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.699 -0.099 18531 2934 1 12 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.897 -0.397 18531 2935 1 12 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.627 0.173 18531 2936 1 12 . 1 1 15 15 GLU H H 15 8.390 8.390 8.499 -0.109 18531 2937 1 12 . 1 1 16 16 THR N N 16 115.600 115.600 113.952 1.648 18531 2938 1 12 . 1 1 16 16 THR HA H 16 4.730 4.730 4.667 0.063 18531 2939 1 12 . 1 1 16 16 THR CA C 16 60.600 60.600 60.982 -0.382 18531 2940 1 12 . 1 1 16 16 THR CB C 16 69.500 69.500 69.970 -0.470 18531 2941 1 12 . 1 1 16 16 THR H H 16 8.820 8.820 8.266 0.554 18531 2942 1 12 . 1 1 17 17 THR N N 17 111.800 111.800 113.605 -1.805 18531 2943 1 12 . 1 1 17 17 THR HA H 17 5.790 5.790 5.723 0.067 18531 2944 1 12 . 1 1 17 17 THR CA C 17 59.800 59.800 60.454 -0.654 18531 2945 1 12 . 1 1 17 17 THR CB C 17 73.100 73.100 72.237 0.863 18531 2946 1 12 . 1 1 17 17 THR H H 17 8.140 8.140 8.261 -0.121 18531 2947 1 12 . 1 1 18 18 THR N N 18 115.100 115.100 113.088 2.012 18531 2948 1 12 . 1 1 18 18 THR HA H 18 4.640 4.640 4.524 0.116 18531 2949 1 12 . 1 1 18 18 THR CA C 18 61.900 61.900 61.825 0.075 18531 2950 1 12 . 1 1 18 18 THR CB C 18 70.000 70.000 70.912 -0.912 18531 2951 1 12 . 1 1 18 18 THR H H 18 8.930 8.930 8.322 0.608 18531 2952 1 12 . 1 1 19 19 LYS N N 19 124.300 124.300 121.841 2.459 18531 2953 1 12 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.119 0.211 18531 2954 1 12 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.175 -0.175 18531 2955 1 12 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.318 -0.518 18531 2956 1 12 . 1 1 19 19 LYS H H 19 7.950 7.950 8.274 -0.324 18531 2957 1 12 . 1 1 20 20 ALA N N 20 124.600 124.600 126.646 -2.046 18531 2958 1 12 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.718 0.062 18531 2959 1 12 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.324 -0.423 18531 2960 1 12 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.369 2.431 18531 2961 1 12 . 1 1 20 20 ALA H H 20 9.110 9.110 8.518 0.592 18531 2962 1 12 . 1 1 21 21 VAL N N 21 115.300 115.300 118.847 -3.547 18531 2963 1 12 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.085 0.025 18531 2964 1 12 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.917 -0.617 18531 2965 1 12 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.561 0.639 18531 2966 1 12 . 1 1 21 21 VAL H H 21 8.480 8.480 8.459 0.021 18531 2967 1 12 . 1 1 22 22 ASP N N 22 115.200 115.200 115.162 0.038 18531 2968 1 12 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.695 0.015 18531 2969 1 12 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.365 -0.965 18531 2970 1 12 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.628 0.572 18531 2971 1 12 . 1 1 22 22 ASP H H 22 7.310 7.310 7.580 -0.270 18531 2972 1 12 . 1 1 23 23 ALA N N 23 121.000 121.000 123.498 -2.498 18531 2973 1 12 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.513 -0.173 18531 2974 1 12 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.154 -0.254 18531 2975 1 12 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.404 -0.904 18531 2976 1 12 . 1 1 23 23 ALA H H 23 8.370 8.370 8.675 -0.305 18531 2977 1 12 . 1 1 24 24 GLU N N 24 118.900 118.900 118.077 0.823 18531 2978 1 12 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.971 -0.111 18531 2979 1 12 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.091 0.609 18531 2980 1 12 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.960 0.140 18531 2981 1 12 . 1 1 24 24 GLU H H 24 8.410 8.410 8.618 -0.208 18531 2982 1 12 . 1 1 25 25 THR N N 25 117.400 117.400 115.941 1.459 18531 2983 1 12 . 1 1 25 25 THR HA H 25 3.670 3.670 4.062 -0.392 18531 2984 1 12 . 1 1 25 25 THR CA C 25 66.800 66.800 65.250 1.550 18531 2985 1 12 . 1 1 25 25 THR CB C 25 68.000 68.000 68.851 -0.851 18531 2986 1 12 . 1 1 25 25 THR H H 25 8.380 8.380 7.808 0.572 18531 2987 1 12 . 1 1 26 26 ALA N N 26 125.100 125.100 123.103 1.997 18531 2988 1 12 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.891 -0.701 18531 2989 1 12 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.571 1.429 18531 2990 1 12 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.909 -0.609 18531 2991 1 12 . 1 1 26 26 ALA H H 26 7.220 7.220 7.949 -0.729 18531 2992 1 12 . 1 1 27 27 GLU N N 27 117.400 117.400 119.879 -2.479 18531 2993 1 12 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.736 -1.146 18531 2994 1 12 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.781 -0.081 18531 2995 1 12 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.311 -0.111 18531 2996 1 12 . 1 1 27 27 GLU H H 27 8.370 8.370 8.065 0.305 18531 2997 1 12 . 1 1 28 28 LYS N N 28 116.300 116.300 118.516 -2.216 18531 2998 1 12 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.822 -0.152 18531 2999 1 12 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.572 0.028 18531 3000 1 12 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.911 0.289 18531 3001 1 12 . 1 1 28 28 LYS H H 28 7.170 7.170 7.577 -0.407 18531 3002 1 12 . 1 1 29 29 ALA N N 29 122.000 122.000 121.110 0.890 18531 3003 1 12 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.999 0.091 18531 3004 1 12 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.611 0.089 18531 3005 1 12 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.952 -0.452 18531 3006 1 12 . 1 1 29 29 ALA H H 29 7.200 7.200 7.748 -0.548 18531 3007 1 12 . 1 1 30 30 PHE N N 30 119.600 119.600 116.671 2.929 18531 3008 1 12 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.363 0.417 18531 3009 1 12 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.969 -3.369 18531 3010 1 12 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.532 -1.132 18531 3011 1 12 . 1 1 30 30 PHE H H 30 8.610 8.610 7.705 0.905 18531 3012 1 12 . 1 1 31 31 LYS N N 31 122.800 122.800 120.167 2.633 18531 3013 1 12 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.946 0.144 18531 3014 1 12 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.697 0.003 18531 3015 1 12 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.053 -0.453 18531 3016 1 12 . 1 1 31 31 LYS H H 31 9.030 9.030 8.194 0.836 18531 3017 1 12 . 1 1 32 32 GLN N N 32 119.600 119.600 119.490 0.110 18531 3018 1 12 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.001 0.029 18531 3019 1 12 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.300 -0.599 18531 3020 1 12 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.734 -0.634 18531 3021 1 12 . 1 1 32 32 GLN H H 32 7.510 7.510 8.721 -1.211 18531 3022 1 12 . 1 1 33 33 TYR N N 33 120.400 120.400 120.952 -0.552 18531 3023 1 12 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.480 -0.230 18531 3024 1 12 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.776 1.024 18531 3025 1 12 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.184 0.516 18531 3026 1 12 . 1 1 33 33 TYR H H 33 8.080 8.080 7.735 0.345 18531 3027 1 12 . 1 1 34 34 ALA N N 34 122.300 122.300 120.913 1.387 18531 3028 1 12 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.808 -0.028 18531 3029 1 12 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.081 1.019 18531 3030 1 12 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.459 -0.759 18531 3031 1 12 . 1 1 34 34 ALA H H 34 9.210 9.210 7.661 1.549 18531 3032 1 12 . 1 1 35 35 ASN N N 35 117.700 117.700 117.452 0.248 18531 3033 1 12 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.443 0.017 18531 3034 1 12 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.053 0.947 18531 3035 1 12 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.907 1.093 18531 3036 1 12 . 1 1 35 35 ASN H H 35 8.390 8.390 8.046 0.344 18531 3037 1 12 . 1 1 36 36 ASP N N 36 121.100 121.100 121.195 -0.095 18531 3038 1 12 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.411 -0.051 18531 3039 1 12 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.943 -0.243 18531 3040 1 12 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.294 -0.294 18531 3041 1 12 . 1 1 36 36 ASP H H 36 8.830 8.830 8.287 0.543 18531 3042 1 12 . 1 1 37 37 ASN N N 37 115.200 115.200 115.275 -0.075 18531 3043 1 12 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.840 -0.230 18531 3044 1 12 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.491 1.209 18531 3045 1 12 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.509 1.491 18531 3046 1 12 . 1 1 37 37 ASN H H 37 7.390 7.390 7.519 -0.129 18531 3047 1 12 . 1 1 38 38 GLY N N 38 108.200 108.200 108.563 -0.363 18531 3048 1 12 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.106 0.294 18531 3049 1 12 . 1 1 38 38 GLY H H 38 7.800 7.800 8.177 -0.377 18531 3050 1 12 . 1 1 39 39 VAL N N 39 120.800 120.800 120.054 0.746 18531 3051 1 12 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.281 -0.141 18531 3052 1 12 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.160 -0.460 18531 3053 1 12 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.864 1.436 18531 3054 1 12 . 1 1 39 39 VAL H H 39 8.120 8.120 7.965 0.155 18531 3055 1 12 . 1 1 40 40 ASP N N 40 128.000 128.000 127.531 0.469 18531 3056 1 12 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.802 0.088 18531 3057 1 12 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.242 -0.442 18531 3058 1 12 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.654 -0.554 18531 3059 1 12 . 1 1 40 40 ASP H H 40 8.770 8.770 8.404 0.366 18531 3060 1 12 . 1 1 41 41 GLY N N 41 107.100 107.100 109.763 -2.663 18531 3061 1 12 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.796 0.604 18531 3062 1 12 . 1 1 41 41 GLY H H 41 7.910 7.910 7.953 -0.043 18531 3063 1 12 . 1 1 42 42 VAL N N 42 120.300 120.300 117.871 2.429 18531 3064 1 12 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.456 -0.076 18531 3065 1 12 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.373 1.727 18531 3066 1 12 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.795 0.605 18531 3067 1 12 . 1 1 42 42 VAL H H 42 8.250 8.250 7.525 0.725 18531 3068 1 12 . 1 1 43 43 TRP N N 43 130.700 130.700 128.340 2.360 18531 3069 1 12 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.034 0.326 18531 3070 1 12 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.355 1.245 18531 3071 1 12 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.817 0.384 18531 3072 1 12 . 1 1 43 43 TRP H H 43 9.360 9.360 8.508 0.852 18531 3073 1 12 . 1 1 44 44 THR N N 44 114.500 114.500 118.192 -3.692 18531 3074 1 12 . 1 1 44 44 THR HA H 44 4.830 4.830 4.868 -0.038 18531 3075 1 12 . 1 1 44 44 THR CA C 44 60.300 60.300 61.419 -1.119 18531 3076 1 12 . 1 1 44 44 THR CB C 44 72.100 72.100 70.909 1.191 18531 3077 1 12 . 1 1 44 44 THR H H 44 9.400 9.400 8.417 0.983 18531 3078 1 12 . 1 1 45 45 TYR N N 45 120.100 120.100 123.010 -2.910 18531 3079 1 12 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.883 0.087 18531 3080 1 12 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.438 0.562 18531 3081 1 12 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.854 1.746 18531 3082 1 12 . 1 1 45 45 TYR H H 45 8.580 8.580 8.277 0.303 18531 3083 1 12 . 1 1 46 46 ASP N N 46 128.300 128.300 122.600 5.700 18531 3084 1 12 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.430 0.150 18531 3085 1 12 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.012 -0.112 18531 3086 1 12 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.758 -0.659 18531 3087 1 12 . 1 1 46 46 ASP H H 46 7.580 7.580 8.384 -0.804 18531 3088 1 12 . 1 1 47 47 ASP N N 47 124.800 124.800 125.115 -0.315 18531 3089 1 12 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.383 -0.273 18531 3090 1 12 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.476 0.024 18531 3091 1 12 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.199 0.901 18531 3092 1 12 . 1 1 47 47 ASP H H 47 8.590 8.590 8.409 0.181 18531 3093 1 12 . 1 1 48 48 ALA N N 48 119.700 119.700 120.796 -1.096 18531 3094 1 12 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.060 0.030 18531 3095 1 12 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.267 0.733 18531 3096 1 12 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.963 -0.663 18531 3097 1 12 . 1 1 48 48 ALA H H 48 8.340 8.340 7.939 0.401 18531 3098 1 12 . 1 1 49 49 THR N N 49 103.200 103.200 110.496 -7.296 18531 3099 1 12 . 1 1 49 49 THR HA H 49 4.390 4.390 4.505 -0.115 18531 3100 1 12 . 1 1 49 49 THR CA C 49 60.200 60.200 60.350 -0.150 18531 3101 1 12 . 1 1 49 49 THR CB C 49 70.000 70.000 70.684 -0.684 18531 3102 1 12 . 1 1 49 49 THR H H 49 7.000 7.000 7.416 -0.416 18531 3103 1 12 . 1 1 50 50 LYS N N 50 123.100 123.100 119.030 4.070 18531 3104 1 12 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.947 -0.757 18531 3105 1 12 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.147 0.453 18531 3106 1 12 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.433 -4.833 18531 3107 1 12 . 1 1 50 50 LYS H H 50 7.860 7.860 8.441 -0.581 18531 3108 1 12 . 1 1 51 51 THR N N 51 111.200 111.200 117.755 -6.555 18531 3109 1 12 . 1 1 51 51 THR HA H 51 5.490 5.490 4.767 0.723 18531 3110 1 12 . 1 1 51 51 THR CA C 51 62.300 62.300 62.454 -0.154 18531 3111 1 12 . 1 1 51 51 THR CB C 51 72.100 72.100 70.593 1.507 18531 3112 1 12 . 1 1 51 51 THR H H 51 7.390 7.390 8.072 -0.682 18531 3113 1 12 . 1 1 52 52 PHE N N 52 131.000 131.000 125.901 5.099 18531 3114 1 12 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.389 0.241 18531 3115 1 12 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.821 1.479 18531 3116 1 12 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.564 0.036 18531 3117 1 12 . 1 1 52 52 PHE H H 52 10.390 10.390 9.062 1.328 18531 3118 1 12 . 1 1 53 53 THR N N 53 117.400 117.400 118.134 -0.734 18531 3119 1 12 . 1 1 53 53 THR HA H 53 5.270 5.270 5.239 0.031 18531 3120 1 12 . 1 1 53 53 THR CA C 53 61.200 61.200 61.472 -0.272 18531 3121 1 12 . 1 1 53 53 THR CB C 53 71.000 71.000 72.144 -1.144 18531 3122 1 12 . 1 1 53 53 THR H H 53 9.180 9.180 8.426 0.754 18531 3123 1 12 . 1 1 54 54 VAL N N 54 123.000 123.000 125.140 -2.140 18531 3124 1 12 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.438 0.022 18531 3125 1 12 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.700 -1.601 18531 3126 1 12 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.265 -1.965 18531 3127 1 12 . 1 1 54 54 VAL H H 54 8.280 8.280 8.298 -0.018 18531 3128 1 12 . 1 1 55 55 THR N N 55 123.900 123.900 124.606 -0.706 18531 3129 1 12 . 1 1 55 55 THR HA H 55 4.700 4.700 4.855 -0.155 18531 3130 1 12 . 1 1 55 55 THR CA C 55 61.200 61.200 60.730 0.470 18531 3131 1 12 . 1 1 55 55 THR CB C 55 70.700 70.700 70.177 0.523 18531 3132 1 12 . 1 1 55 55 THR H H 55 8.320 8.320 8.171 0.149 18531 3133 1 13 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.346 -0.296 18531 3134 1 13 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.953 1.647 18531 3135 1 13 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.331 0.369 18531 3136 1 13 . 1 1 2 2 GLN H H 2 8.410 8.410 8.032 0.378 18531 3137 1 13 . 1 1 3 3 TYR N N 3 124.000 124.000 123.026 0.974 18531 3138 1 13 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.708 0.652 18531 3139 1 13 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.054 0.046 18531 3140 1 13 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.839 1.761 18531 3141 1 13 . 1 1 3 3 TYR H H 3 9.070 9.070 8.128 0.942 18531 3142 1 13 . 1 1 4 4 LYS N N 4 122.500 122.500 122.869 -0.369 18531 3143 1 13 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.237 -0.017 18531 3144 1 13 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.471 0.529 18531 3145 1 13 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.867 0.133 18531 3146 1 13 . 1 1 4 4 LYS H H 4 9.100 9.100 8.823 0.277 18531 3147 1 13 . 1 1 5 5 LEU N N 5 126.400 126.400 126.731 -0.331 18531 3148 1 13 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.423 -0.453 18531 3149 1 13 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.839 -0.039 18531 3150 1 13 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.270 -3.671 18531 3151 1 13 . 1 1 5 5 LEU H H 5 8.620 8.620 8.704 -0.084 18531 3152 1 13 . 1 1 6 6 VAL N N 6 127.000 127.000 123.046 3.954 18531 3153 1 13 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.802 -0.642 18531 3154 1 13 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.673 1.627 18531 3155 1 13 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.761 -3.061 18531 3156 1 13 . 1 1 6 6 VAL H H 6 9.190 9.190 8.815 0.375 18531 3157 1 13 . 1 1 7 7 ILE N N 7 125.400 125.400 125.432 -0.032 18531 3158 1 13 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.332 -0.242 18531 3159 1 13 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.632 0.068 18531 3160 1 13 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.128 -0.128 18531 3161 1 13 . 1 1 7 7 ILE H H 7 8.800 8.800 9.155 -0.355 18531 3162 1 13 . 1 1 8 8 ASN N N 8 128.900 128.900 127.035 1.865 18531 3163 1 13 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.997 0.283 18531 3164 1 13 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.511 -1.711 18531 3165 1 13 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.599 -0.499 18531 3166 1 13 . 1 1 8 8 ASN H H 8 8.990 8.990 8.867 0.123 18531 3167 1 13 . 1 1 9 9 GLY N N 9 110.200 110.200 109.146 1.054 18531 3168 1 13 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.145 0.555 18531 3169 1 13 . 1 1 9 9 GLY H H 9 7.920 7.920 7.856 0.064 18531 3170 1 13 . 1 1 10 10 LYS N N 10 120.700 120.700 119.202 1.498 18531 3171 1 13 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.287 -0.227 18531 3172 1 13 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.133 1.067 18531 3173 1 13 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.690 0.210 18531 3174 1 13 . 1 1 10 10 LYS H H 10 9.520 9.520 8.347 1.173 18531 3175 1 13 . 1 1 11 11 THR N N 11 108.900 108.900 113.074 -4.174 18531 3176 1 13 . 1 1 11 11 THR HA H 11 4.360 4.360 4.445 -0.085 18531 3177 1 13 . 1 1 11 11 THR CA C 11 62.000 62.000 62.023 -0.023 18531 3178 1 13 . 1 1 11 11 THR CB C 11 69.800 69.800 69.590 0.210 18531 3179 1 13 . 1 1 11 11 THR H H 11 8.790 8.790 7.997 0.793 18531 3180 1 13 . 1 1 12 12 LEU N N 12 125.700 125.700 123.539 2.161 18531 3181 1 13 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.587 -0.147 18531 3182 1 13 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.987 0.013 18531 3183 1 13 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.916 -0.616 18531 3184 1 13 . 1 1 12 12 LEU H H 12 7.580 7.580 7.647 -0.067 18531 3185 1 13 . 1 1 13 13 LYS N N 13 123.500 123.500 124.190 -0.690 18531 3186 1 13 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.547 -0.427 18531 3187 1 13 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.572 -0.672 18531 3188 1 13 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.666 -0.866 18531 3189 1 13 . 1 1 13 13 LYS H H 13 8.140 8.140 8.316 -0.176 18531 3190 1 13 . 1 1 14 14 GLY N N 14 109.100 109.100 109.296 -0.196 18531 3191 1 13 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.620 -0.420 18531 3192 1 13 . 1 1 14 14 GLY H H 14 8.340 8.340 7.986 0.354 18531 3193 1 13 . 1 1 15 15 GLU N N 15 118.200 118.200 118.768 -0.568 18531 3194 1 13 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.471 0.129 18531 3195 1 13 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.976 -0.476 18531 3196 1 13 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.684 0.116 18531 3197 1 13 . 1 1 15 15 GLU H H 15 8.390 8.390 8.460 -0.070 18531 3198 1 13 . 1 1 16 16 THR N N 16 115.600 115.600 115.095 0.505 18531 3199 1 13 . 1 1 16 16 THR HA H 16 4.730 4.730 4.730 0.000 18531 3200 1 13 . 1 1 16 16 THR CA C 16 60.600 60.600 60.422 0.178 18531 3201 1 13 . 1 1 16 16 THR CB C 16 69.500 69.500 69.732 -0.232 18531 3202 1 13 . 1 1 16 16 THR H H 16 8.820 8.820 8.501 0.319 18531 3203 1 13 . 1 1 17 17 THR N N 17 111.800 111.800 115.075 -3.275 18531 3204 1 13 . 1 1 17 17 THR HA H 17 5.790 5.790 5.785 0.005 18531 3205 1 13 . 1 1 17 17 THR CA C 17 59.800 59.800 59.866 -0.066 18531 3206 1 13 . 1 1 17 17 THR CB C 17 73.100 73.100 72.246 0.854 18531 3207 1 13 . 1 1 17 17 THR H H 17 8.140 8.140 8.217 -0.077 18531 3208 1 13 . 1 1 18 18 THR N N 18 115.100 115.100 114.213 0.887 18531 3209 1 13 . 1 1 18 18 THR HA H 18 4.640 4.640 4.506 0.134 18531 3210 1 13 . 1 1 18 18 THR CA C 18 61.900 61.900 61.155 0.745 18531 3211 1 13 . 1 1 18 18 THR CB C 18 70.000 70.000 69.628 0.372 18531 3212 1 13 . 1 1 18 18 THR H H 18 8.930 8.930 8.360 0.570 18531 3213 1 13 . 1 1 19 19 LYS N N 19 124.300 124.300 120.565 3.735 18531 3214 1 13 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.375 -0.045 18531 3215 1 13 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.588 -0.588 18531 3216 1 13 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.169 -0.368 18531 3217 1 13 . 1 1 19 19 LYS H H 19 7.950 7.950 8.282 -0.332 18531 3218 1 13 . 1 1 20 20 ALA N N 20 124.600 124.600 126.882 -2.282 18531 3219 1 13 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.751 0.029 18531 3220 1 13 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.457 -0.557 18531 3221 1 13 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.739 2.061 18531 3222 1 13 . 1 1 20 20 ALA H H 20 9.110 9.110 8.625 0.485 18531 3223 1 13 . 1 1 21 21 VAL N N 21 115.300 115.300 115.651 -0.351 18531 3224 1 13 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.238 -0.128 18531 3225 1 13 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.023 0.277 18531 3226 1 13 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.703 0.496 18531 3227 1 13 . 1 1 21 21 VAL H H 21 8.480 8.480 8.219 0.261 18531 3228 1 13 . 1 1 22 22 ASP N N 22 115.200 115.200 117.899 -2.699 18531 3229 1 13 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.726 -0.016 18531 3230 1 13 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.444 -1.044 18531 3231 1 13 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.909 -0.709 18531 3232 1 13 . 1 1 22 22 ASP H H 22 7.310 7.310 7.611 -0.301 18531 3233 1 13 . 1 1 23 23 ALA N N 23 121.000 121.000 127.087 -6.087 18531 3234 1 13 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.625 -0.285 18531 3235 1 13 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.346 -0.446 18531 3236 1 13 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.428 -0.928 18531 3237 1 13 . 1 1 23 23 ALA H H 23 8.370 8.370 8.606 -0.236 18531 3238 1 13 . 1 1 24 24 GLU N N 24 118.900 118.900 116.943 1.957 18531 3239 1 13 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.823 0.037 18531 3240 1 13 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.005 0.695 18531 3241 1 13 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.790 0.310 18531 3242 1 13 . 1 1 24 24 GLU H H 24 8.410 8.410 8.783 -0.373 18531 3243 1 13 . 1 1 25 25 THR N N 25 117.400 117.400 115.993 1.407 18531 3244 1 13 . 1 1 25 25 THR HA H 25 3.670 3.670 3.991 -0.321 18531 3245 1 13 . 1 1 25 25 THR CA C 25 66.800 66.800 65.786 1.014 18531 3246 1 13 . 1 1 25 25 THR CB C 25 68.000 68.000 68.688 -0.688 18531 3247 1 13 . 1 1 25 25 THR H H 25 8.380 8.380 7.558 0.822 18531 3248 1 13 . 1 1 26 26 ALA N N 26 125.100 125.100 123.195 1.905 18531 3249 1 13 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.913 -0.723 18531 3250 1 13 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.253 0.747 18531 3251 1 13 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.798 -0.498 18531 3252 1 13 . 1 1 26 26 ALA H H 26 7.220 7.220 7.869 -0.649 18531 3253 1 13 . 1 1 27 27 GLU N N 27 117.400 117.400 119.142 -1.742 18531 3254 1 13 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.819 -1.229 18531 3255 1 13 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.154 -0.454 18531 3256 1 13 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.111 0.089 18531 3257 1 13 . 1 1 27 27 GLU H H 27 8.370 8.370 7.742 0.628 18531 3258 1 13 . 1 1 28 28 LYS N N 28 116.300 116.300 118.619 -2.319 18531 3259 1 13 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.870 -0.200 18531 3260 1 13 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.408 0.192 18531 3261 1 13 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.894 0.306 18531 3262 1 13 . 1 1 28 28 LYS H H 28 7.170 7.170 7.900 -0.730 18531 3263 1 13 . 1 1 29 29 ALA N N 29 122.000 122.000 122.064 -0.064 18531 3264 1 13 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.046 0.044 18531 3265 1 13 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.819 -0.119 18531 3266 1 13 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.260 -0.760 18531 3267 1 13 . 1 1 29 29 ALA H H 29 7.200 7.200 7.438 -0.238 18531 3268 1 13 . 1 1 30 30 PHE N N 30 119.600 119.600 117.840 1.760 18531 3269 1 13 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.347 0.433 18531 3270 1 13 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.699 -4.099 18531 3271 1 13 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.914 -1.514 18531 3272 1 13 . 1 1 30 30 PHE H H 30 8.610 8.610 8.263 0.347 18531 3273 1 13 . 1 1 31 31 LYS N N 31 122.800 122.800 119.037 3.763 18531 3274 1 13 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.786 0.304 18531 3275 1 13 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.074 0.626 18531 3276 1 13 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.026 -0.426 18531 3277 1 13 . 1 1 31 31 LYS H H 31 9.030 9.030 8.299 0.731 18531 3278 1 13 . 1 1 32 32 GLN N N 32 119.600 119.600 119.938 -0.338 18531 3279 1 13 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.957 0.073 18531 3280 1 13 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.328 -0.628 18531 3281 1 13 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.517 -0.417 18531 3282 1 13 . 1 1 32 32 GLN H H 32 7.510 7.510 8.560 -1.050 18531 3283 1 13 . 1 1 33 33 TYR N N 33 120.400 120.400 119.807 0.593 18531 3284 1 13 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.573 -0.323 18531 3285 1 13 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.542 1.258 18531 3286 1 13 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.356 0.344 18531 3287 1 13 . 1 1 33 33 TYR H H 33 8.080 8.080 7.799 0.281 18531 3288 1 13 . 1 1 34 34 ALA N N 34 122.300 122.300 120.682 1.618 18531 3289 1 13 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.047 -0.267 18531 3290 1 13 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.316 0.784 18531 3291 1 13 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.534 -0.834 18531 3292 1 13 . 1 1 34 34 ALA H H 34 9.210 9.210 7.674 1.536 18531 3293 1 13 . 1 1 35 35 ASN N N 35 117.700 117.700 117.489 0.211 18531 3294 1 13 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.509 -0.049 18531 3295 1 13 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.674 1.326 18531 3296 1 13 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.956 1.044 18531 3297 1 13 . 1 1 35 35 ASN H H 35 8.390 8.390 7.955 0.435 18531 3298 1 13 . 1 1 36 36 ASP N N 36 121.100 121.100 121.087 0.013 18531 3299 1 13 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.383 -0.023 18531 3300 1 13 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.858 -0.158 18531 3301 1 13 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.219 -0.219 18531 3302 1 13 . 1 1 36 36 ASP H H 36 8.830 8.830 7.950 0.880 18531 3303 1 13 . 1 1 37 37 ASN N N 37 115.200 115.200 115.186 0.014 18531 3304 1 13 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.859 -0.249 18531 3305 1 13 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.444 1.256 18531 3306 1 13 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.606 1.394 18531 3307 1 13 . 1 1 37 37 ASN H H 37 7.390 7.390 7.372 0.018 18531 3308 1 13 . 1 1 38 38 GLY N N 38 108.200 108.200 108.761 -0.561 18531 3309 1 13 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.221 0.179 18531 3310 1 13 . 1 1 38 38 GLY H H 38 7.800 7.800 8.193 -0.393 18531 3311 1 13 . 1 1 39 39 VAL N N 39 120.800 120.800 120.160 0.640 18531 3312 1 13 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.034 0.106 18531 3313 1 13 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.046 -0.346 18531 3314 1 13 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.495 1.805 18531 3315 1 13 . 1 1 39 39 VAL H H 39 8.120 8.120 8.143 -0.023 18531 3316 1 13 . 1 1 40 40 ASP N N 40 128.000 128.000 127.520 0.480 18531 3317 1 13 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.872 0.018 18531 3318 1 13 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.065 -0.265 18531 3319 1 13 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.882 -0.782 18531 3320 1 13 . 1 1 40 40 ASP H H 40 8.770 8.770 8.294 0.476 18531 3321 1 13 . 1 1 41 41 GLY N N 41 107.100 107.100 109.807 -2.707 18531 3322 1 13 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.003 0.397 18531 3323 1 13 . 1 1 41 41 GLY H H 41 7.910 7.910 8.080 -0.170 18531 3324 1 13 . 1 1 42 42 VAL N N 42 120.300 120.300 121.953 -1.653 18531 3325 1 13 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.364 0.016 18531 3326 1 13 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.596 1.504 18531 3327 1 13 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.873 0.527 18531 3328 1 13 . 1 1 42 42 VAL H H 42 8.250 8.250 7.670 0.580 18531 3329 1 13 . 1 1 43 43 TRP N N 43 130.700 130.700 129.582 1.118 18531 3330 1 13 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.891 0.469 18531 3331 1 13 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.527 1.073 18531 3332 1 13 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.463 -0.263 18531 3333 1 13 . 1 1 43 43 TRP H H 43 9.360 9.360 8.588 0.772 18531 3334 1 13 . 1 1 44 44 THR N N 44 114.500 114.500 119.393 -4.893 18531 3335 1 13 . 1 1 44 44 THR HA H 44 4.830 4.830 4.732 0.098 18531 3336 1 13 . 1 1 44 44 THR CA C 44 60.300 60.300 61.793 -1.493 18531 3337 1 13 . 1 1 44 44 THR CB C 44 72.100 72.100 70.246 1.854 18531 3338 1 13 . 1 1 44 44 THR H H 44 9.400 9.400 8.693 0.707 18531 3339 1 13 . 1 1 45 45 TYR N N 45 120.100 120.100 125.660 -5.560 18531 3340 1 13 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.984 -0.014 18531 3341 1 13 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.308 -0.308 18531 3342 1 13 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.273 1.327 18531 3343 1 13 . 1 1 45 45 TYR H H 45 8.580 8.580 8.409 0.171 18531 3344 1 13 . 1 1 46 46 ASP N N 46 128.300 128.300 123.788 4.512 18531 3345 1 13 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.502 0.078 18531 3346 1 13 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.977 -0.077 18531 3347 1 13 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.748 -1.648 18531 3348 1 13 . 1 1 46 46 ASP H H 46 7.580 7.580 8.614 -1.034 18531 3349 1 13 . 1 1 47 47 ASP N N 47 124.800 124.800 123.666 1.134 18531 3350 1 13 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.537 -0.427 18531 3351 1 13 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.549 -0.049 18531 3352 1 13 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.045 1.055 18531 3353 1 13 . 1 1 47 47 ASP H H 47 8.590 8.590 8.448 0.142 18531 3354 1 13 . 1 1 48 48 ALA N N 48 119.700 119.700 122.484 -2.784 18531 3355 1 13 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.164 -0.074 18531 3356 1 13 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.758 1.242 18531 3357 1 13 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.886 -0.586 18531 3358 1 13 . 1 1 48 48 ALA H H 48 8.340 8.340 8.258 0.082 18531 3359 1 13 . 1 1 49 49 THR N N 49 103.200 103.200 111.783 -8.583 18531 3360 1 13 . 1 1 49 49 THR HA H 49 4.390 4.390 4.435 -0.045 18531 3361 1 13 . 1 1 49 49 THR CA C 49 60.200 60.200 60.984 -0.784 18531 3362 1 13 . 1 1 49 49 THR CB C 49 70.000 70.000 69.769 0.231 18531 3363 1 13 . 1 1 49 49 THR H H 49 7.000 7.000 7.957 -0.957 18531 3364 1 13 . 1 1 50 50 LYS N N 50 123.100 123.100 122.178 0.922 18531 3365 1 13 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.838 -0.648 18531 3366 1 13 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.617 0.983 18531 3367 1 13 . 1 1 50 50 LYS CB C 50 28.600 28.600 32.861 -4.261 18531 3368 1 13 . 1 1 50 50 LYS H H 50 7.860 7.860 8.401 -0.541 18531 3369 1 13 . 1 1 51 51 THR N N 51 111.200 111.200 116.915 -5.715 18531 3370 1 13 . 1 1 51 51 THR HA H 51 5.490 5.490 4.852 0.638 18531 3371 1 13 . 1 1 51 51 THR CA C 51 62.300 62.300 61.640 0.660 18531 3372 1 13 . 1 1 51 51 THR CB C 51 72.100 72.100 69.276 2.824 18531 3373 1 13 . 1 1 51 51 THR H H 51 7.390 7.390 7.439 -0.049 18531 3374 1 13 . 1 1 52 52 PHE N N 52 131.000 131.000 127.099 3.901 18531 3375 1 13 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.104 0.526 18531 3376 1 13 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.753 2.547 18531 3377 1 13 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.467 2.133 18531 3378 1 13 . 1 1 52 52 PHE H H 52 10.390 10.390 8.003 2.387 18531 3379 1 13 . 1 1 53 53 THR N N 53 117.400 117.400 115.753 1.647 18531 3380 1 13 . 1 1 53 53 THR HA H 53 5.270 5.270 4.944 0.326 18531 3381 1 13 . 1 1 53 53 THR CA C 53 61.200 61.200 61.846 -0.646 18531 3382 1 13 . 1 1 53 53 THR CB C 53 71.000 71.000 71.896 -0.896 18531 3383 1 13 . 1 1 53 53 THR H H 53 9.180 9.180 8.484 0.696 18531 3384 1 13 . 1 1 54 54 VAL N N 54 123.000 123.000 126.056 -3.056 18531 3385 1 13 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.685 -0.225 18531 3386 1 13 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.759 -0.659 18531 3387 1 13 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.040 -1.740 18531 3388 1 13 . 1 1 54 54 VAL H H 54 8.280 8.280 8.712 -0.432 18531 3389 1 13 . 1 1 55 55 THR N N 55 123.900 123.900 125.109 -1.209 18531 3390 1 13 . 1 1 55 55 THR HA H 55 4.700 4.700 4.818 -0.118 18531 3391 1 13 . 1 1 55 55 THR CA C 55 61.200 61.200 61.236 -0.036 18531 3392 1 13 . 1 1 55 55 THR CB C 55 70.700 70.700 69.438 1.262 18531 3393 1 13 . 1 1 55 55 THR H H 55 8.320 8.320 8.146 0.174 18531 3394 1 14 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.972 0.078 18531 3395 1 14 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.192 1.408 18531 3396 1 14 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.871 0.829 18531 3397 1 14 . 1 1 2 2 GLN H H 2 8.410 8.410 8.033 0.377 18531 3398 1 14 . 1 1 3 3 TYR N N 3 124.000 124.000 123.347 0.653 18531 3399 1 14 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.958 0.402 18531 3400 1 14 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.121 -0.021 18531 3401 1 14 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.067 2.533 18531 3402 1 14 . 1 1 3 3 TYR H H 3 9.070 9.070 8.319 0.751 18531 3403 1 14 . 1 1 4 4 LYS N N 4 122.500 122.500 122.859 -0.359 18531 3404 1 14 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.743 0.477 18531 3405 1 14 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.771 0.229 18531 3406 1 14 . 1 1 4 4 LYS CB C 4 36.000 36.000 32.932 3.068 18531 3407 1 14 . 1 1 4 4 LYS H H 4 9.100 9.100 9.229 -0.129 18531 3408 1 14 . 1 1 5 5 LEU N N 5 126.400 126.400 129.974 -3.574 18531 3409 1 14 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.172 -0.202 18531 3410 1 14 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.861 -1.061 18531 3411 1 14 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.473 -1.873 18531 3412 1 14 . 1 1 5 5 LEU H H 5 8.620 8.620 8.033 0.587 18531 3413 1 14 . 1 1 6 6 VAL N N 6 127.000 127.000 126.941 0.059 18531 3414 1 14 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.367 -0.207 18531 3415 1 14 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.467 1.833 18531 3416 1 14 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.619 -1.919 18531 3417 1 14 . 1 1 6 6 VAL H H 6 9.190 9.190 9.177 0.013 18531 3418 1 14 . 1 1 7 7 ILE N N 7 125.400 125.400 125.973 -0.573 18531 3419 1 14 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.291 -0.201 18531 3420 1 14 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.946 -0.246 18531 3421 1 14 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.691 0.309 18531 3422 1 14 . 1 1 7 7 ILE H H 7 8.800 8.800 9.166 -0.366 18531 3423 1 14 . 1 1 8 8 ASN N N 8 128.900 128.900 126.958 1.942 18531 3424 1 14 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.111 0.169 18531 3425 1 14 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.209 -1.409 18531 3426 1 14 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.630 -0.530 18531 3427 1 14 . 1 1 8 8 ASN H H 8 8.990 8.990 8.431 0.559 18531 3428 1 14 . 1 1 9 9 GLY N N 9 110.200 110.200 109.447 0.753 18531 3429 1 14 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.976 0.724 18531 3430 1 14 . 1 1 9 9 GLY H H 9 7.920 7.920 8.488 -0.568 18531 3431 1 14 . 1 1 10 10 LYS N N 10 120.700 120.700 119.993 0.707 18531 3432 1 14 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.136 -0.076 18531 3433 1 14 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.953 0.247 18531 3434 1 14 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.693 0.207 18531 3435 1 14 . 1 1 10 10 LYS H H 10 9.520 9.520 8.494 1.026 18531 3436 1 14 . 1 1 11 11 THR N N 11 108.900 108.900 111.296 -2.396 18531 3437 1 14 . 1 1 11 11 THR HA H 11 4.360 4.360 4.439 -0.079 18531 3438 1 14 . 1 1 11 11 THR CA C 11 62.000 62.000 61.905 0.095 18531 3439 1 14 . 1 1 11 11 THR CB C 11 69.800 69.800 69.446 0.354 18531 3440 1 14 . 1 1 11 11 THR H H 11 8.790 8.790 8.238 0.552 18531 3441 1 14 . 1 1 12 12 LEU N N 12 125.700 125.700 124.156 1.544 18531 3442 1 14 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.662 -0.222 18531 3443 1 14 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.579 0.421 18531 3444 1 14 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.662 -0.362 18531 3445 1 14 . 1 1 12 12 LEU H H 12 7.580 7.580 7.429 0.151 18531 3446 1 14 . 1 1 13 13 LYS N N 13 123.500 123.500 125.772 -2.272 18531 3447 1 14 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.432 -0.312 18531 3448 1 14 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.150 -1.250 18531 3449 1 14 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.144 -0.344 18531 3450 1 14 . 1 1 13 13 LYS H H 13 8.140 8.140 8.494 -0.354 18531 3451 1 14 . 1 1 14 14 GLY N N 14 109.100 109.100 110.751 -1.651 18531 3452 1 14 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.582 -0.382 18531 3453 1 14 . 1 1 14 14 GLY H H 14 8.340 8.340 8.717 -0.377 18531 3454 1 14 . 1 1 15 15 GLU N N 15 118.200 118.200 118.565 -0.365 18531 3455 1 14 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.166 0.434 18531 3456 1 14 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.685 -1.185 18531 3457 1 14 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.489 0.311 18531 3458 1 14 . 1 1 15 15 GLU H H 15 8.390 8.390 8.483 -0.093 18531 3459 1 14 . 1 1 16 16 THR N N 16 115.600 115.600 113.890 1.710 18531 3460 1 14 . 1 1 16 16 THR HA H 16 4.730 4.730 4.709 0.021 18531 3461 1 14 . 1 1 16 16 THR CA C 16 60.600 60.600 62.070 -1.470 18531 3462 1 14 . 1 1 16 16 THR CB C 16 69.500 69.500 70.112 -0.612 18531 3463 1 14 . 1 1 16 16 THR H H 16 8.820 8.820 8.501 0.319 18531 3464 1 14 . 1 1 17 17 THR N N 17 111.800 111.800 113.868 -2.068 18531 3465 1 14 . 1 1 17 17 THR HA H 17 5.790 5.790 5.180 0.610 18531 3466 1 14 . 1 1 17 17 THR CA C 17 59.800 59.800 60.805 -1.005 18531 3467 1 14 . 1 1 17 17 THR CB C 17 73.100 73.100 72.004 1.097 18531 3468 1 14 . 1 1 17 17 THR H H 17 8.140 8.140 8.277 -0.137 18531 3469 1 14 . 1 1 18 18 THR N N 18 115.100 115.100 113.599 1.501 18531 3470 1 14 . 1 1 18 18 THR HA H 18 4.640 4.640 4.566 0.074 18531 3471 1 14 . 1 1 18 18 THR CA C 18 61.900 61.900 61.479 0.421 18531 3472 1 14 . 1 1 18 18 THR CB C 18 70.000 70.000 69.083 0.917 18531 3473 1 14 . 1 1 18 18 THR H H 18 8.930 8.930 8.608 0.322 18531 3474 1 14 . 1 1 19 19 LYS N N 19 124.300 124.300 120.241 4.059 18531 3475 1 14 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.140 0.190 18531 3476 1 14 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.876 -0.876 18531 3477 1 14 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.097 -0.297 18531 3478 1 14 . 1 1 19 19 LYS H H 19 7.950 7.950 8.221 -0.271 18531 3479 1 14 . 1 1 20 20 ALA N N 20 124.600 124.600 127.699 -3.099 18531 3480 1 14 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.699 0.081 18531 3481 1 14 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.494 -0.594 18531 3482 1 14 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.382 2.418 18531 3483 1 14 . 1 1 20 20 ALA H H 20 9.110 9.110 8.659 0.451 18531 3484 1 14 . 1 1 21 21 VAL N N 21 115.300 115.300 119.532 -4.232 18531 3485 1 14 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.148 -0.038 18531 3486 1 14 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.299 0.001 18531 3487 1 14 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.537 0.663 18531 3488 1 14 . 1 1 21 21 VAL H H 21 8.480 8.480 8.220 0.260 18531 3489 1 14 . 1 1 22 22 ASP N N 22 115.200 115.200 117.432 -2.232 18531 3490 1 14 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.695 0.015 18531 3491 1 14 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.655 -1.255 18531 3492 1 14 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.788 -0.588 18531 3493 1 14 . 1 1 22 22 ASP H H 22 7.310 7.310 7.469 -0.159 18531 3494 1 14 . 1 1 23 23 ALA N N 23 121.000 121.000 126.885 -5.885 18531 3495 1 14 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.631 -0.291 18531 3496 1 14 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.108 -0.208 18531 3497 1 14 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.838 -1.338 18531 3498 1 14 . 1 1 23 23 ALA H H 23 8.370 8.370 8.687 -0.317 18531 3499 1 14 . 1 1 24 24 GLU N N 24 118.900 118.900 118.207 0.693 18531 3500 1 14 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.864 -0.004 18531 3501 1 14 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.506 0.194 18531 3502 1 14 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.660 0.440 18531 3503 1 14 . 1 1 24 24 GLU H H 24 8.410 8.410 8.746 -0.336 18531 3504 1 14 . 1 1 25 25 THR N N 25 117.400 117.400 114.294 3.106 18531 3505 1 14 . 1 1 25 25 THR HA H 25 3.670 3.670 3.999 -0.329 18531 3506 1 14 . 1 1 25 25 THR CA C 25 66.800 66.800 64.910 1.889 18531 3507 1 14 . 1 1 25 25 THR CB C 25 68.000 68.000 68.442 -0.442 18531 3508 1 14 . 1 1 25 25 THR H H 25 8.380 8.380 8.074 0.306 18531 3509 1 14 . 1 1 26 26 ALA N N 26 125.100 125.100 121.812 3.288 18531 3510 1 14 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.868 -0.678 18531 3511 1 14 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.812 1.188 18531 3512 1 14 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.861 -0.561 18531 3513 1 14 . 1 1 26 26 ALA H H 26 7.220 7.220 7.618 -0.398 18531 3514 1 14 . 1 1 27 27 GLU N N 27 117.400 117.400 119.795 -2.395 18531 3515 1 14 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.746 -1.156 18531 3516 1 14 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.730 -0.030 18531 3517 1 14 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.186 0.014 18531 3518 1 14 . 1 1 27 27 GLU H H 27 8.370 8.370 7.858 0.512 18531 3519 1 14 . 1 1 28 28 LYS N N 28 116.300 116.300 118.772 -2.472 18531 3520 1 14 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.806 -0.136 18531 3521 1 14 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.748 -0.148 18531 3522 1 14 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.025 0.175 18531 3523 1 14 . 1 1 28 28 LYS H H 28 7.170 7.170 7.434 -0.264 18531 3524 1 14 . 1 1 29 29 ALA N N 29 122.000 122.000 121.771 0.229 18531 3525 1 14 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.976 0.114 18531 3526 1 14 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.707 -0.007 18531 3527 1 14 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.135 -0.635 18531 3528 1 14 . 1 1 29 29 ALA H H 29 7.200 7.200 7.609 -0.409 18531 3529 1 14 . 1 1 30 30 PHE N N 30 119.600 119.600 117.155 2.445 18531 3530 1 14 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.290 0.490 18531 3531 1 14 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.059 -3.459 18531 3532 1 14 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.515 -1.115 18531 3533 1 14 . 1 1 30 30 PHE H H 30 8.610 8.610 7.868 0.742 18531 3534 1 14 . 1 1 31 31 LYS N N 31 122.800 122.800 119.356 3.444 18531 3535 1 14 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.893 0.197 18531 3536 1 14 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.255 0.445 18531 3537 1 14 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.064 -0.464 18531 3538 1 14 . 1 1 31 31 LYS H H 31 9.030 9.030 8.252 0.778 18531 3539 1 14 . 1 1 32 32 GLN N N 32 119.600 119.600 119.838 -0.238 18531 3540 1 14 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.972 0.058 18531 3541 1 14 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.375 -0.675 18531 3542 1 14 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.434 -0.334 18531 3543 1 14 . 1 1 32 32 GLN H H 32 7.510 7.510 8.605 -1.095 18531 3544 1 14 . 1 1 33 33 TYR N N 33 120.400 120.400 119.894 0.506 18531 3545 1 14 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.537 -0.287 18531 3546 1 14 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.892 0.908 18531 3547 1 14 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.313 0.387 18531 3548 1 14 . 1 1 33 33 TYR H H 33 8.080 8.080 7.787 0.293 18531 3549 1 14 . 1 1 34 34 ALA N N 34 122.300 122.300 121.418 0.882 18531 3550 1 14 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.048 -0.268 18531 3551 1 14 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.338 0.762 18531 3552 1 14 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.502 -0.802 18531 3553 1 14 . 1 1 34 34 ALA H H 34 9.210 9.210 7.684 1.526 18531 3554 1 14 . 1 1 35 35 ASN N N 35 117.700 117.700 117.400 0.300 18531 3555 1 14 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.489 -0.029 18531 3556 1 14 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.698 1.302 18531 3557 1 14 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.991 1.009 18531 3558 1 14 . 1 1 35 35 ASN H H 35 8.390 8.390 8.000 0.390 18531 3559 1 14 . 1 1 36 36 ASP N N 36 121.100 121.100 121.217 -0.117 18531 3560 1 14 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.379 -0.019 18531 3561 1 14 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.883 -0.183 18531 3562 1 14 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.180 -0.180 18531 3563 1 14 . 1 1 36 36 ASP H H 36 8.830 8.830 8.220 0.610 18531 3564 1 14 . 1 1 37 37 ASN N N 37 115.200 115.200 115.110 0.090 18531 3565 1 14 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.838 -0.228 18531 3566 1 14 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.451 1.249 18531 3567 1 14 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.633 1.367 18531 3568 1 14 . 1 1 37 37 ASN H H 37 7.390 7.390 7.428 -0.038 18531 3569 1 14 . 1 1 38 38 GLY N N 38 108.200 108.200 108.691 -0.491 18531 3570 1 14 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.158 0.242 18531 3571 1 14 . 1 1 38 38 GLY H H 38 7.800 7.800 8.165 -0.365 18531 3572 1 14 . 1 1 39 39 VAL N N 39 120.800 120.800 120.409 0.391 18531 3573 1 14 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.142 -0.002 18531 3574 1 14 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.810 -0.110 18531 3575 1 14 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.728 0.572 18531 3576 1 14 . 1 1 39 39 VAL H H 39 8.120 8.120 8.083 0.037 18531 3577 1 14 . 1 1 40 40 ASP N N 40 128.000 128.000 128.124 -0.124 18531 3578 1 14 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.866 0.024 18531 3579 1 14 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.908 -0.108 18531 3580 1 14 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.453 -0.353 18531 3581 1 14 . 1 1 40 40 ASP H H 40 8.770 8.770 8.588 0.182 18531 3582 1 14 . 1 1 41 41 GLY N N 41 107.100 107.100 109.536 -2.436 18531 3583 1 14 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.739 0.661 18531 3584 1 14 . 1 1 41 41 GLY H H 41 7.910 7.910 8.038 -0.128 18531 3585 1 14 . 1 1 42 42 VAL N N 42 120.300 120.300 117.816 2.484 18531 3586 1 14 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.569 -0.189 18531 3587 1 14 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.934 1.166 18531 3588 1 14 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.371 0.029 18531 3589 1 14 . 1 1 42 42 VAL H H 42 8.250 8.250 7.516 0.734 18531 3590 1 14 . 1 1 43 43 TRP N N 43 130.700 130.700 127.003 3.697 18531 3591 1 14 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.325 0.035 18531 3592 1 14 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.202 1.398 18531 3593 1 14 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.736 -0.536 18531 3594 1 14 . 1 1 43 43 TRP H H 43 9.360 9.360 8.628 0.732 18531 3595 1 14 . 1 1 44 44 THR N N 44 114.500 114.500 118.079 -3.579 18531 3596 1 14 . 1 1 44 44 THR HA H 44 4.830 4.830 4.750 0.080 18531 3597 1 14 . 1 1 44 44 THR CA C 44 60.300 60.300 61.484 -1.184 18531 3598 1 14 . 1 1 44 44 THR CB C 44 72.100 72.100 70.249 1.851 18531 3599 1 14 . 1 1 44 44 THR H H 44 9.400 9.400 8.567 0.833 18531 3600 1 14 . 1 1 45 45 TYR N N 45 120.100 120.100 125.258 -5.158 18531 3601 1 14 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.946 0.024 18531 3602 1 14 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.403 1.597 18531 3603 1 14 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.084 1.516 18531 3604 1 14 . 1 1 45 45 TYR H H 45 8.580 8.580 8.284 0.296 18531 3605 1 14 . 1 1 46 46 ASP N N 46 128.300 128.300 123.723 4.577 18531 3606 1 14 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.394 0.186 18531 3607 1 14 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.964 -0.064 18531 3608 1 14 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.520 -0.420 18531 3609 1 14 . 1 1 46 46 ASP H H 46 7.580 7.580 8.391 -0.811 18531 3610 1 14 . 1 1 47 47 ASP N N 47 124.800 124.800 125.954 -1.154 18531 3611 1 14 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.310 -0.200 18531 3612 1 14 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.475 0.025 18531 3613 1 14 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.139 0.961 18531 3614 1 14 . 1 1 47 47 ASP H H 47 8.590 8.590 8.483 0.107 18531 3615 1 14 . 1 1 48 48 ALA N N 48 119.700 119.700 120.507 -0.807 18531 3616 1 14 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.055 0.035 18531 3617 1 14 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.102 0.898 18531 3618 1 14 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.102 -0.802 18531 3619 1 14 . 1 1 48 48 ALA H H 48 8.340 8.340 7.901 0.439 18531 3620 1 14 . 1 1 49 49 THR N N 49 103.200 103.200 110.019 -6.819 18531 3621 1 14 . 1 1 49 49 THR HA H 49 4.390 4.390 4.462 -0.072 18531 3622 1 14 . 1 1 49 49 THR CA C 49 60.200 60.200 60.633 -0.433 18531 3623 1 14 . 1 1 49 49 THR CB C 49 70.000 70.000 70.193 -0.193 18531 3624 1 14 . 1 1 49 49 THR H H 49 7.000 7.000 7.415 -0.415 18531 3625 1 14 . 1 1 50 50 LYS N N 50 123.100 123.100 118.990 4.110 18531 3626 1 14 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.949 -0.759 18531 3627 1 14 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.831 0.769 18531 3628 1 14 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.253 -4.653 18531 3629 1 14 . 1 1 50 50 LYS H H 50 7.860 7.860 8.403 -0.543 18531 3630 1 14 . 1 1 51 51 THR N N 51 111.200 111.200 117.451 -6.251 18531 3631 1 14 . 1 1 51 51 THR HA H 51 5.490 5.490 5.313 0.177 18531 3632 1 14 . 1 1 51 51 THR CA C 51 62.300 62.300 62.314 -0.014 18531 3633 1 14 . 1 1 51 51 THR CB C 51 72.100 72.100 70.393 1.707 18531 3634 1 14 . 1 1 51 51 THR H H 51 7.390 7.390 7.959 -0.569 18531 3635 1 14 . 1 1 52 52 PHE N N 52 131.000 131.000 125.821 5.179 18531 3636 1 14 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.131 0.499 18531 3637 1 14 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.080 1.220 18531 3638 1 14 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.649 -0.049 18531 3639 1 14 . 1 1 52 52 PHE H H 52 10.390 10.390 9.372 1.018 18531 3640 1 14 . 1 1 53 53 THR N N 53 117.400 117.400 119.196 -1.796 18531 3641 1 14 . 1 1 53 53 THR HA H 53 5.270 5.270 4.893 0.377 18531 3642 1 14 . 1 1 53 53 THR CA C 53 61.200 61.200 61.778 -0.578 18531 3643 1 14 . 1 1 53 53 THR CB C 53 71.000 71.000 71.519 -0.519 18531 3644 1 14 . 1 1 53 53 THR H H 53 9.180 9.180 8.428 0.752 18531 3645 1 14 . 1 1 54 54 VAL N N 54 123.000 123.000 125.909 -2.909 18531 3646 1 14 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.503 -0.043 18531 3647 1 14 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.626 -1.526 18531 3648 1 14 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.045 -1.745 18531 3649 1 14 . 1 1 54 54 VAL H H 54 8.280 8.280 8.001 0.279 18531 3650 1 14 . 1 1 55 55 THR N N 55 123.900 123.900 125.246 -1.346 18531 3651 1 14 . 1 1 55 55 THR HA H 55 4.700 4.700 5.121 -0.421 18531 3652 1 14 . 1 1 55 55 THR CA C 55 61.200 61.200 61.330 -0.130 18531 3653 1 14 . 1 1 55 55 THR CB C 55 70.700 70.700 70.818 -0.118 18531 3654 1 14 . 1 1 55 55 THR H H 55 8.320 8.320 8.024 0.296 18531 3655 1 15 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.990 0.060 18531 3656 1 15 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.196 1.404 18531 3657 1 15 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.233 0.467 18531 3658 1 15 . 1 1 2 2 GLN H H 2 8.410 8.410 8.229 0.181 18531 3659 1 15 . 1 1 3 3 TYR N N 3 124.000 124.000 122.798 1.202 18531 3660 1 15 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.744 0.616 18531 3661 1 15 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.703 1.397 18531 3662 1 15 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.726 2.874 18531 3663 1 15 . 1 1 3 3 TYR H H 3 9.070 9.070 7.722 1.348 18531 3664 1 15 . 1 1 4 4 LYS N N 4 122.500 122.500 119.587 2.913 18531 3665 1 15 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.377 -0.157 18531 3666 1 15 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.075 0.925 18531 3667 1 15 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.592 -0.592 18531 3668 1 15 . 1 1 4 4 LYS H H 4 9.100 9.100 8.675 0.425 18531 3669 1 15 . 1 1 5 5 LEU N N 5 126.400 126.400 125.359 1.041 18531 3670 1 15 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.143 -0.173 18531 3671 1 15 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.128 -1.328 18531 3672 1 15 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.814 -2.214 18531 3673 1 15 . 1 1 5 5 LEU H H 5 8.620 8.620 8.289 0.331 18531 3674 1 15 . 1 1 6 6 VAL N N 6 127.000 127.000 127.149 -0.149 18531 3675 1 15 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.717 -0.557 18531 3676 1 15 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.289 1.011 18531 3677 1 15 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.087 -1.387 18531 3678 1 15 . 1 1 6 6 VAL H H 6 9.190 9.190 9.221 -0.031 18531 3679 1 15 . 1 1 7 7 ILE N N 7 125.400 125.400 126.222 -0.822 18531 3680 1 15 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.367 -0.277 18531 3681 1 15 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.514 0.186 18531 3682 1 15 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.442 0.558 18531 3683 1 15 . 1 1 7 7 ILE H H 7 8.800 8.800 9.155 -0.355 18531 3684 1 15 . 1 1 8 8 ASN N N 8 128.900 128.900 126.595 2.305 18531 3685 1 15 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.884 0.396 18531 3686 1 15 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.737 -1.937 18531 3687 1 15 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.167 -0.068 18531 3688 1 15 . 1 1 8 8 ASN H H 8 8.990 8.990 8.450 0.540 18531 3689 1 15 . 1 1 9 9 GLY N N 9 110.200 110.200 108.431 1.769 18531 3690 1 15 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.931 -0.231 18531 3691 1 15 . 1 1 9 9 GLY H H 9 7.920 7.920 7.596 0.324 18531 3692 1 15 . 1 1 10 10 LYS N N 10 120.700 120.700 119.002 1.698 18531 3693 1 15 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.308 -0.248 18531 3694 1 15 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.609 0.591 18531 3695 1 15 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.121 -0.221 18531 3696 1 15 . 1 1 10 10 LYS H H 10 9.520 9.520 8.769 0.751 18531 3697 1 15 . 1 1 11 11 THR N N 11 108.900 108.900 110.407 -1.507 18531 3698 1 15 . 1 1 11 11 THR HA H 11 4.360 4.360 4.332 0.028 18531 3699 1 15 . 1 1 11 11 THR CA C 11 62.000 62.000 62.823 -0.823 18531 3700 1 15 . 1 1 11 11 THR CB C 11 69.800 69.800 69.434 0.366 18531 3701 1 15 . 1 1 11 11 THR H H 11 8.790 8.790 7.792 0.998 18531 3702 1 15 . 1 1 12 12 LEU N N 12 125.700 125.700 125.026 0.674 18531 3703 1 15 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.363 0.077 18531 3704 1 15 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.077 -0.077 18531 3705 1 15 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.442 0.858 18531 3706 1 15 . 1 1 12 12 LEU H H 12 7.580 7.580 8.131 -0.551 18531 3707 1 15 . 1 1 13 13 LYS N N 13 123.500 123.500 123.799 -0.299 18531 3708 1 15 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.425 -0.305 18531 3709 1 15 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.765 -0.865 18531 3710 1 15 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.983 -1.183 18531 3711 1 15 . 1 1 13 13 LYS H H 13 8.140 8.140 8.268 -0.128 18531 3712 1 15 . 1 1 14 14 GLY N N 14 109.100 109.100 109.827 -0.727 18531 3713 1 15 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.514 -0.314 18531 3714 1 15 . 1 1 14 14 GLY H H 14 8.340 8.340 8.064 0.276 18531 3715 1 15 . 1 1 15 15 GLU N N 15 118.200 118.200 118.845 -0.645 18531 3716 1 15 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.623 -0.023 18531 3717 1 15 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.560 -0.060 18531 3718 1 15 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.897 -0.097 18531 3719 1 15 . 1 1 15 15 GLU H H 15 8.390 8.390 8.526 -0.136 18531 3720 1 15 . 1 1 16 16 THR N N 16 115.600 115.600 114.133 1.467 18531 3721 1 15 . 1 1 16 16 THR HA H 16 4.730 4.730 4.706 0.024 18531 3722 1 15 . 1 1 16 16 THR CA C 16 60.600 60.600 60.358 0.242 18531 3723 1 15 . 1 1 16 16 THR CB C 16 69.500 69.500 69.877 -0.377 18531 3724 1 15 . 1 1 16 16 THR H H 16 8.820 8.820 8.420 0.400 18531 3725 1 15 . 1 1 17 17 THR N N 17 111.800 111.800 113.516 -1.716 18531 3726 1 15 . 1 1 17 17 THR HA H 17 5.790 5.790 5.718 0.072 18531 3727 1 15 . 1 1 17 17 THR CA C 17 59.800 59.800 60.706 -0.906 18531 3728 1 15 . 1 1 17 17 THR CB C 17 73.100 73.100 72.286 0.814 18531 3729 1 15 . 1 1 17 17 THR H H 17 8.140 8.140 8.222 -0.082 18531 3730 1 15 . 1 1 18 18 THR N N 18 115.100 115.100 113.904 1.196 18531 3731 1 15 . 1 1 18 18 THR HA H 18 4.640 4.640 4.501 0.139 18531 3732 1 15 . 1 1 18 18 THR CA C 18 61.900 61.900 61.296 0.604 18531 3733 1 15 . 1 1 18 18 THR CB C 18 70.000 70.000 69.160 0.840 18531 3734 1 15 . 1 1 18 18 THR H H 18 8.930 8.930 8.262 0.668 18531 3735 1 15 . 1 1 19 19 LYS N N 19 124.300 124.300 120.376 3.924 18531 3736 1 15 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.815 0.515 18531 3737 1 15 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.729 -0.729 18531 3738 1 15 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.029 -0.229 18531 3739 1 15 . 1 1 19 19 LYS H H 19 7.950 7.950 8.217 -0.267 18531 3740 1 15 . 1 1 20 20 ALA N N 20 124.600 124.600 126.647 -2.047 18531 3741 1 15 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531 3742 1 15 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.618 -0.718 18531 3743 1 15 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.770 3.030 18531 3744 1 15 . 1 1 20 20 ALA H H 20 9.110 9.110 8.024 1.086 18531 3745 1 15 . 1 1 21 21 VAL N N 21 115.300 115.300 115.605 -0.305 18531 3746 1 15 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.153 -0.043 18531 3747 1 15 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.755 0.545 18531 3748 1 15 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.651 0.549 18531 3749 1 15 . 1 1 21 21 VAL H H 21 8.480 8.480 8.159 0.321 18531 3750 1 15 . 1 1 22 22 ASP N N 22 115.200 115.200 114.210 0.990 18531 3751 1 15 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.675 0.035 18531 3752 1 15 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.281 -0.881 18531 3753 1 15 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.754 0.446 18531 3754 1 15 . 1 1 22 22 ASP H H 22 7.310 7.310 7.668 -0.358 18531 3755 1 15 . 1 1 23 23 ALA N N 23 121.000 121.000 122.838 -1.838 18531 3756 1 15 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.681 -0.341 18531 3757 1 15 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.820 0.080 18531 3758 1 15 . 1 1 23 23 ALA CB C 23 17.500 17.500 17.966 -0.466 18531 3759 1 15 . 1 1 23 23 ALA H H 23 8.370 8.370 8.664 -0.294 18531 3760 1 15 . 1 1 24 24 GLU N N 24 118.900 118.900 118.387 0.513 18531 3761 1 15 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.857 0.003 18531 3762 1 15 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.344 0.356 18531 3763 1 15 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.692 0.408 18531 3764 1 15 . 1 1 24 24 GLU H H 24 8.410 8.410 7.980 0.430 18531 3765 1 15 . 1 1 25 25 THR N N 25 117.400 117.400 116.051 1.349 18531 3766 1 15 . 1 1 25 25 THR HA H 25 3.670 3.670 3.982 -0.312 18531 3767 1 15 . 1 1 25 25 THR CA C 25 66.800 66.800 66.279 0.521 18531 3768 1 15 . 1 1 25 25 THR CB C 25 68.000 68.000 68.580 -0.580 18531 3769 1 15 . 1 1 25 25 THR H H 25 8.380 8.380 8.864 -0.484 18531 3770 1 15 . 1 1 26 26 ALA N N 26 125.100 125.100 122.750 2.350 18531 3771 1 15 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.099 -0.909 18531 3772 1 15 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.452 0.548 18531 3773 1 15 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.537 -1.237 18531 3774 1 15 . 1 1 26 26 ALA H H 26 7.220 7.220 8.210 -0.990 18531 3775 1 15 . 1 1 27 27 GLU N N 27 117.400 117.400 120.001 -2.601 18531 3776 1 15 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.946 -1.356 18531 3777 1 15 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.751 -0.051 18531 3778 1 15 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.229 -0.029 18531 3779 1 15 . 1 1 27 27 GLU H H 27 8.370 8.370 8.046 0.324 18531 3780 1 15 . 1 1 28 28 LYS N N 28 116.300 116.300 119.143 -2.843 18531 3781 1 15 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.809 -0.139 18531 3782 1 15 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.611 -0.011 18531 3783 1 15 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.234 -0.034 18531 3784 1 15 . 1 1 28 28 LYS H H 28 7.170 7.170 7.515 -0.345 18531 3785 1 15 . 1 1 29 29 ALA N N 29 122.000 122.000 121.449 0.551 18531 3786 1 15 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.087 0.003 18531 3787 1 15 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.813 -0.113 18531 3788 1 15 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.111 -0.611 18531 3789 1 15 . 1 1 29 29 ALA H H 29 7.200 7.200 7.467 -0.267 18531 3790 1 15 . 1 1 30 30 PHE N N 30 119.600 119.600 117.286 2.314 18531 3791 1 15 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.472 0.308 18531 3792 1 15 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.248 -3.648 18531 3793 1 15 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.987 -1.587 18531 3794 1 15 . 1 1 30 30 PHE H H 30 8.610 8.610 8.010 0.600 18531 3795 1 15 . 1 1 31 31 LYS N N 31 122.800 122.800 119.427 3.373 18531 3796 1 15 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.563 0.527 18531 3797 1 15 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.836 0.864 18531 3798 1 15 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.895 -0.295 18531 3799 1 15 . 1 1 31 31 LYS H H 31 9.030 9.030 8.210 0.820 18531 3800 1 15 . 1 1 32 32 GLN N N 32 119.600 119.600 119.674 -0.074 18531 3801 1 15 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531 3802 1 15 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.315 -0.615 18531 3803 1 15 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.678 -0.578 18531 3804 1 15 . 1 1 32 32 GLN H H 32 7.510 7.510 8.463 -0.953 18531 3805 1 15 . 1 1 33 33 TYR N N 33 120.400 120.400 119.820 0.580 18531 3806 1 15 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.377 -0.127 18531 3807 1 15 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.861 0.939 18531 3808 1 15 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.149 0.551 18531 3809 1 15 . 1 1 33 33 TYR H H 33 8.080 8.080 7.781 0.299 18531 3810 1 15 . 1 1 34 34 ALA N N 34 122.300 122.300 121.318 0.982 18531 3811 1 15 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.962 -0.182 18531 3812 1 15 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.180 0.920 18531 3813 1 15 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.414 -0.714 18531 3814 1 15 . 1 1 34 34 ALA H H 34 9.210 9.210 7.614 1.596 18531 3815 1 15 . 1 1 35 35 ASN N N 35 117.700 117.700 117.481 0.219 18531 3816 1 15 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.514 -0.054 18531 3817 1 15 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.846 1.154 18531 3818 1 15 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.059 0.941 18531 3819 1 15 . 1 1 35 35 ASN H H 35 8.390 8.390 8.037 0.353 18531 3820 1 15 . 1 1 36 36 ASP N N 36 121.100 121.100 121.197 -0.097 18531 3821 1 15 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.402 -0.042 18531 3822 1 15 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.095 -0.395 18531 3823 1 15 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.728 -0.728 18531 3824 1 15 . 1 1 36 36 ASP H H 36 8.830 8.830 8.208 0.622 18531 3825 1 15 . 1 1 37 37 ASN N N 37 115.200 115.200 114.999 0.201 18531 3826 1 15 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.804 -0.194 18531 3827 1 15 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.727 0.973 18531 3828 1 15 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.846 1.154 18531 3829 1 15 . 1 1 37 37 ASN H H 37 7.390 7.390 7.418 -0.028 18531 3830 1 15 . 1 1 38 38 GLY N N 38 108.200 108.200 109.388 -1.188 18531 3831 1 15 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.237 0.163 18531 3832 1 15 . 1 1 38 38 GLY H H 38 7.800 7.800 8.197 -0.397 18531 3833 1 15 . 1 1 39 39 VAL N N 39 120.800 120.800 119.352 1.448 18531 3834 1 15 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.159 -0.019 18531 3835 1 15 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.221 0.478 18531 3836 1 15 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.141 1.159 18531 3837 1 15 . 1 1 39 39 VAL H H 39 8.120 8.120 8.097 0.023 18531 3838 1 15 . 1 1 40 40 ASP N N 40 128.000 128.000 126.178 1.822 18531 3839 1 15 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.832 0.058 18531 3840 1 15 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.668 0.132 18531 3841 1 15 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.103 -1.003 18531 3842 1 15 . 1 1 40 40 ASP H H 40 8.770 8.770 8.173 0.597 18531 3843 1 15 . 1 1 41 41 GLY N N 41 107.100 107.100 107.220 -0.120 18531 3844 1 15 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.855 0.546 18531 3845 1 15 . 1 1 41 41 GLY H H 41 7.910 7.910 7.960 -0.050 18531 3846 1 15 . 1 1 42 42 VAL N N 42 120.300 120.300 117.745 2.555 18531 3847 1 15 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.479 -0.099 18531 3848 1 15 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.750 1.350 18531 3849 1 15 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.040 0.360 18531 3850 1 15 . 1 1 42 42 VAL H H 42 8.250 8.250 7.619 0.631 18531 3851 1 15 . 1 1 43 43 TRP N N 43 130.700 130.700 127.852 2.848 18531 3852 1 15 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.007 0.353 18531 3853 1 15 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.242 1.357 18531 3854 1 15 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.411 -0.211 18531 3855 1 15 . 1 1 43 43 TRP H H 43 9.360 9.360 8.379 0.981 18531 3856 1 15 . 1 1 44 44 THR N N 44 114.500 114.500 116.241 -1.741 18531 3857 1 15 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531 3858 1 15 . 1 1 44 44 THR CA C 44 60.300 60.300 60.985 -0.685 18531 3859 1 15 . 1 1 44 44 THR CB C 44 72.100 72.100 71.365 0.735 18531 3860 1 15 . 1 1 44 44 THR H H 44 9.400 9.400 8.624 0.776 18531 3861 1 15 . 1 1 45 45 TYR N N 45 120.100 120.100 123.340 -3.240 18531 3862 1 15 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.973 -0.003 18531 3863 1 15 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.733 -0.733 18531 3864 1 15 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.633 0.967 18531 3865 1 15 . 1 1 45 45 TYR H H 45 8.580 8.580 8.361 0.219 18531 3866 1 15 . 1 1 46 46 ASP N N 46 128.300 128.300 124.921 3.379 18531 3867 1 15 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.432 0.148 18531 3868 1 15 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.811 0.089 18531 3869 1 15 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.366 -1.266 18531 3870 1 15 . 1 1 46 46 ASP H H 46 7.580 7.580 8.330 -0.750 18531 3871 1 15 . 1 1 47 47 ASP N N 47 124.800 124.800 123.421 1.379 18531 3872 1 15 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.385 -0.275 18531 3873 1 15 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.519 -0.019 18531 3874 1 15 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.107 0.993 18531 3875 1 15 . 1 1 47 47 ASP H H 47 8.590 8.590 8.409 0.181 18531 3876 1 15 . 1 1 48 48 ALA N N 48 119.700 119.700 122.631 -2.931 18531 3877 1 15 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.128 -0.038 18531 3878 1 15 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.031 0.969 18531 3879 1 15 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.863 -0.563 18531 3880 1 15 . 1 1 48 48 ALA H H 48 8.340 8.340 8.333 0.007 18531 3881 1 15 . 1 1 49 49 THR N N 49 103.200 103.200 111.957 -8.757 18531 3882 1 15 . 1 1 49 49 THR HA H 49 4.390 4.390 4.385 0.005 18531 3883 1 15 . 1 1 49 49 THR CA C 49 60.200 60.200 61.250 -1.050 18531 3884 1 15 . 1 1 49 49 THR CB C 49 70.000 70.000 69.990 0.010 18531 3885 1 15 . 1 1 49 49 THR H H 49 7.000 7.000 8.031 -1.031 18531 3886 1 15 . 1 1 50 50 LYS N N 50 123.100 123.100 120.379 2.721 18531 3887 1 15 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.545 -0.355 18531 3888 1 15 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.541 1.059 18531 3889 1 15 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.205 -4.605 18531 3890 1 15 . 1 1 50 50 LYS H H 50 7.860 7.860 8.346 -0.486 18531 3891 1 15 . 1 1 51 51 THR N N 51 111.200 111.200 116.652 -5.452 18531 3892 1 15 . 1 1 51 51 THR HA H 51 5.490 5.490 4.454 1.036 18531 3893 1 15 . 1 1 51 51 THR CA C 51 62.300 62.300 61.981 0.319 18531 3894 1 15 . 1 1 51 51 THR CB C 51 72.100 72.100 69.117 2.983 18531 3895 1 15 . 1 1 51 51 THR H H 51 7.390 7.390 7.457 -0.067 18531 3896 1 15 . 1 1 52 52 PHE N N 52 131.000 131.000 127.922 3.078 18531 3897 1 15 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.960 0.670 18531 3898 1 15 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.791 2.509 18531 3899 1 15 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.144 1.456 18531 3900 1 15 . 1 1 52 52 PHE H H 52 10.390 10.390 8.564 1.826 18531 3901 1 15 . 1 1 53 53 THR N N 53 117.400 117.400 117.156 0.244 18531 3902 1 15 . 1 1 53 53 THR HA H 53 5.270 5.270 5.216 0.054 18531 3903 1 15 . 1 1 53 53 THR CA C 53 61.200 61.200 61.518 -0.318 18531 3904 1 15 . 1 1 53 53 THR CB C 53 71.000 71.000 71.933 -0.933 18531 3905 1 15 . 1 1 53 53 THR H H 53 9.180 9.180 8.625 0.555 18531 3906 1 15 . 1 1 54 54 VAL N N 54 123.000 123.000 125.878 -2.878 18531 3907 1 15 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.530 -0.070 18531 3908 1 15 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.761 -0.661 18531 3909 1 15 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.238 -1.938 18531 3910 1 15 . 1 1 54 54 VAL H H 54 8.280 8.280 8.561 -0.281 18531 3911 1 15 . 1 1 55 55 THR N N 55 123.900 123.900 124.874 -0.974 18531 3912 1 15 . 1 1 55 55 THR HA H 55 4.700 4.700 4.734 -0.034 18531 3913 1 15 . 1 1 55 55 THR CA C 55 61.200 61.200 60.811 0.389 18531 3914 1 15 . 1 1 55 55 THR CB C 55 70.700 70.700 70.941 -0.241 18531 3915 1 15 . 1 1 55 55 THR H H 55 8.320 8.320 8.392 -0.072 18531 3916 1 16 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.698 0.352 18531 3917 1 16 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.605 0.994 18531 3918 1 16 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.563 0.137 18531 3919 1 16 . 1 1 2 2 GLN H H 2 8.410 8.410 8.231 0.179 18531 3920 1 16 . 1 1 3 3 TYR N N 3 124.000 124.000 121.379 2.621 18531 3921 1 16 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.896 0.464 18531 3922 1 16 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.822 0.278 18531 3923 1 16 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.276 1.325 18531 3924 1 16 . 1 1 3 3 TYR H H 3 9.070 9.070 9.031 0.039 18531 3925 1 16 . 1 1 4 4 LYS N N 4 122.500 122.500 119.103 3.397 18531 3926 1 16 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.466 -0.246 18531 3927 1 16 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.602 0.398 18531 3928 1 16 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.141 -1.141 18531 3929 1 16 . 1 1 4 4 LYS H H 4 9.100 9.100 8.698 0.402 18531 3930 1 16 . 1 1 5 5 LEU N N 5 126.400 126.400 124.819 1.581 18531 3931 1 16 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.191 -0.221 18531 3932 1 16 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.250 -1.450 18531 3933 1 16 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.441 -2.841 18531 3934 1 16 . 1 1 5 5 LEU H H 5 8.620 8.620 8.873 -0.253 18531 3935 1 16 . 1 1 6 6 VAL N N 6 127.000 127.000 126.429 0.571 18531 3936 1 16 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.708 -0.548 18531 3937 1 16 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.878 1.422 18531 3938 1 16 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.248 -1.548 18531 3939 1 16 . 1 1 6 6 VAL H H 6 9.190 9.190 9.276 -0.086 18531 3940 1 16 . 1 1 7 7 ILE N N 7 125.400 125.400 126.010 -0.610 18531 3941 1 16 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.317 -0.227 18531 3942 1 16 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.752 -0.052 18531 3943 1 16 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.394 0.606 18531 3944 1 16 . 1 1 7 7 ILE H H 7 8.800 8.800 9.249 -0.449 18531 3945 1 16 . 1 1 8 8 ASN N N 8 128.900 128.900 126.438 2.462 18531 3946 1 16 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.956 0.324 18531 3947 1 16 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.545 -1.745 18531 3948 1 16 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.155 -0.055 18531 3949 1 16 . 1 1 8 8 ASN H H 8 8.990 8.990 8.192 0.798 18531 3950 1 16 . 1 1 9 9 GLY N N 9 110.200 110.200 108.784 1.416 18531 3951 1 16 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.731 -0.031 18531 3952 1 16 . 1 1 9 9 GLY H H 9 7.920 7.920 7.584 0.336 18531 3953 1 16 . 1 1 10 10 LYS N N 10 120.700 120.700 119.663 1.037 18531 3954 1 16 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.263 -0.203 18531 3955 1 16 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.679 0.521 18531 3956 1 16 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.260 -0.360 18531 3957 1 16 . 1 1 10 10 LYS H H 10 9.520 9.520 8.603 0.917 18531 3958 1 16 . 1 1 11 11 THR N N 11 108.900 108.900 109.690 -0.790 18531 3959 1 16 . 1 1 11 11 THR HA H 11 4.360 4.360 4.337 0.023 18531 3960 1 16 . 1 1 11 11 THR CA C 11 62.000 62.000 62.796 -0.796 18531 3961 1 16 . 1 1 11 11 THR CB C 11 69.800 69.800 69.469 0.331 18531 3962 1 16 . 1 1 11 11 THR H H 11 8.790 8.790 7.882 0.908 18531 3963 1 16 . 1 1 12 12 LEU N N 12 125.700 125.700 125.074 0.626 18531 3964 1 16 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.324 0.116 18531 3965 1 16 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.232 -0.232 18531 3966 1 16 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.163 1.137 18531 3967 1 16 . 1 1 12 12 LEU H H 12 7.580 7.580 8.192 -0.612 18531 3968 1 16 . 1 1 13 13 LYS N N 13 123.500 123.500 124.792 -1.292 18531 3969 1 16 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.355 -0.235 18531 3970 1 16 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.027 -1.127 18531 3971 1 16 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.890 -1.090 18531 3972 1 16 . 1 1 13 13 LYS H H 13 8.140 8.140 8.251 -0.111 18531 3973 1 16 . 1 1 14 14 GLY N N 14 109.100 109.100 110.701 -1.601 18531 3974 1 16 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.713 -0.513 18531 3975 1 16 . 1 1 14 14 GLY H H 14 8.340 8.340 7.951 0.389 18531 3976 1 16 . 1 1 15 15 GLU N N 15 118.200 118.200 118.440 -0.240 18531 3977 1 16 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.660 -0.060 18531 3978 1 16 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.842 -0.342 18531 3979 1 16 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.674 0.126 18531 3980 1 16 . 1 1 15 15 GLU H H 15 8.390 8.390 8.453 -0.063 18531 3981 1 16 . 1 1 16 16 THR N N 16 115.600 115.600 114.430 1.170 18531 3982 1 16 . 1 1 16 16 THR HA H 16 4.730 4.730 4.694 0.036 18531 3983 1 16 . 1 1 16 16 THR CA C 16 60.600 60.600 60.500 0.100 18531 3984 1 16 . 1 1 16 16 THR CB C 16 69.500 69.500 69.825 -0.325 18531 3985 1 16 . 1 1 16 16 THR H H 16 8.820 8.820 8.473 0.347 18531 3986 1 16 . 1 1 17 17 THR N N 17 111.800 111.800 114.799 -2.999 18531 3987 1 16 . 1 1 17 17 THR HA H 17 5.790 5.790 5.460 0.330 18531 3988 1 16 . 1 1 17 17 THR CA C 17 59.800 59.800 60.242 -0.443 18531 3989 1 16 . 1 1 17 17 THR CB C 17 73.100 73.100 71.914 1.186 18531 3990 1 16 . 1 1 17 17 THR H H 17 8.140 8.140 8.290 -0.150 18531 3991 1 16 . 1 1 18 18 THR N N 18 115.100 115.100 115.149 -0.049 18531 3992 1 16 . 1 1 18 18 THR HA H 18 4.640 4.640 4.634 0.006 18531 3993 1 16 . 1 1 18 18 THR CA C 18 61.900 61.900 61.555 0.345 18531 3994 1 16 . 1 1 18 18 THR CB C 18 70.000 70.000 71.184 -1.184 18531 3995 1 16 . 1 1 18 18 THR H H 18 8.930 8.930 8.329 0.601 18531 3996 1 16 . 1 1 19 19 LYS N N 19 124.300 124.300 124.078 0.222 18531 3997 1 16 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.286 0.044 18531 3998 1 16 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.089 -0.089 18531 3999 1 16 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.873 -1.073 18531 4000 1 16 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531 4001 1 16 . 1 1 20 20 ALA N N 20 124.600 124.600 124.878 -0.278 18531 4002 1 16 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.563 0.217 18531 4003 1 16 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.999 -1.099 18531 4004 1 16 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.761 3.039 18531 4005 1 16 . 1 1 20 20 ALA H H 20 9.110 9.110 8.109 1.001 18531 4006 1 16 . 1 1 21 21 VAL N N 21 115.300 115.300 116.513 -1.213 18531 4007 1 16 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.296 -0.186 18531 4008 1 16 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.561 -0.261 18531 4009 1 16 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.567 0.633 18531 4010 1 16 . 1 1 21 21 VAL H H 21 8.480 8.480 8.516 -0.036 18531 4011 1 16 . 1 1 22 22 ASP N N 22 115.200 115.200 114.214 0.986 18531 4012 1 16 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.675 0.035 18531 4013 1 16 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.353 -0.953 18531 4014 1 16 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.900 0.300 18531 4015 1 16 . 1 1 22 22 ASP H H 22 7.310 7.310 7.449 -0.139 18531 4016 1 16 . 1 1 23 23 ALA N N 23 121.000 121.000 122.901 -1.901 18531 4017 1 16 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.569 -0.229 18531 4018 1 16 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.778 0.122 18531 4019 1 16 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.454 -0.954 18531 4020 1 16 . 1 1 23 23 ALA H H 23 8.370 8.370 8.701 -0.331 18531 4021 1 16 . 1 1 24 24 GLU N N 24 118.900 118.900 120.251 -1.351 18531 4022 1 16 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.976 -0.116 18531 4023 1 16 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.300 0.400 18531 4024 1 16 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.019 0.081 18531 4025 1 16 . 1 1 24 24 GLU H H 24 8.410 8.410 8.130 0.280 18531 4026 1 16 . 1 1 25 25 THR N N 25 117.400 117.400 115.069 2.331 18531 4027 1 16 . 1 1 25 25 THR HA H 25 3.670 3.670 3.916 -0.246 18531 4028 1 16 . 1 1 25 25 THR CA C 25 66.800 66.800 65.766 1.034 18531 4029 1 16 . 1 1 25 25 THR CB C 25 68.000 68.000 68.747 -0.747 18531 4030 1 16 . 1 1 25 25 THR H H 25 8.380 8.380 8.706 -0.326 18531 4031 1 16 . 1 1 26 26 ALA N N 26 125.100 125.100 122.574 2.526 18531 4032 1 16 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.804 -0.614 18531 4033 1 16 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.107 0.893 18531 4034 1 16 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.918 -0.618 18531 4035 1 16 . 1 1 26 26 ALA H H 26 7.220 7.220 7.459 -0.239 18531 4036 1 16 . 1 1 27 27 GLU N N 27 117.400 117.400 119.679 -2.279 18531 4037 1 16 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.779 -1.189 18531 4038 1 16 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.461 0.240 18531 4039 1 16 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.363 -0.163 18531 4040 1 16 . 1 1 27 27 GLU H H 27 8.370 8.370 7.929 0.441 18531 4041 1 16 . 1 1 28 28 LYS N N 28 116.300 116.300 118.183 -1.883 18531 4042 1 16 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.915 -0.245 18531 4043 1 16 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.791 0.809 18531 4044 1 16 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.232 -0.032 18531 4045 1 16 . 1 1 28 28 LYS H H 28 7.170 7.170 7.587 -0.417 18531 4046 1 16 . 1 1 29 29 ALA N N 29 122.000 122.000 120.300 1.700 18531 4047 1 16 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.091 -0.001 18531 4048 1 16 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.244 0.456 18531 4049 1 16 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.569 -1.069 18531 4050 1 16 . 1 1 29 29 ALA H H 29 7.200 7.200 7.411 -0.211 18531 4051 1 16 . 1 1 30 30 PHE N N 30 119.600 119.600 117.684 1.916 18531 4052 1 16 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.137 0.643 18531 4053 1 16 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.184 -2.584 18531 4054 1 16 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.420 -1.020 18531 4055 1 16 . 1 1 30 30 PHE H H 30 8.610 8.610 7.427 1.183 18531 4056 1 16 . 1 1 31 31 LYS N N 31 122.800 122.800 115.962 6.838 18531 4057 1 16 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.023 0.067 18531 4058 1 16 . 1 1 31 31 LYS CA C 31 59.700 59.700 56.997 2.703 18531 4059 1 16 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.090 -0.489 18531 4060 1 16 . 1 1 31 31 LYS H H 31 9.030 9.030 7.502 1.528 18531 4061 1 16 . 1 1 32 32 GLN N N 32 119.600 119.600 118.488 1.112 18531 4062 1 16 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.240 -0.210 18531 4063 1 16 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.408 0.292 18531 4064 1 16 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.679 -1.579 18531 4065 1 16 . 1 1 32 32 GLN H H 32 7.510 7.510 7.337 0.173 18531 4066 1 16 . 1 1 33 33 TYR N N 33 120.400 120.400 121.935 -1.535 18531 4067 1 16 . 1 1 33 33 TYR HA H 33 4.250 4.250 3.988 0.262 18531 4068 1 16 . 1 1 33 33 TYR CA C 33 61.800 61.800 62.107 -0.307 18531 4069 1 16 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.438 0.263 18531 4070 1 16 . 1 1 33 33 TYR H H 33 8.080 8.080 7.695 0.385 18531 4071 1 16 . 1 1 34 34 ALA N N 34 122.300 122.300 120.238 2.062 18531 4072 1 16 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.943 -0.163 18531 4073 1 16 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.992 0.108 18531 4074 1 16 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.270 -0.570 18531 4075 1 16 . 1 1 34 34 ALA H H 34 9.210 9.210 8.389 0.821 18531 4076 1 16 . 1 1 35 35 ASN N N 35 117.700 117.700 116.243 1.457 18531 4077 1 16 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531 4078 1 16 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.164 0.836 18531 4079 1 16 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.864 1.137 18531 4080 1 16 . 1 1 35 35 ASN H H 35 8.390 8.390 8.177 0.213 18531 4081 1 16 . 1 1 36 36 ASP N N 36 121.100 121.100 119.410 1.690 18531 4082 1 16 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.490 -0.130 18531 4083 1 16 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.330 0.370 18531 4084 1 16 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.627 -0.627 18531 4085 1 16 . 1 1 36 36 ASP H H 36 8.830 8.830 8.685 0.145 18531 4086 1 16 . 1 1 37 37 ASN N N 37 115.200 115.200 114.930 0.270 18531 4087 1 16 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531 4088 1 16 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.215 0.485 18531 4089 1 16 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.857 0.143 18531 4090 1 16 . 1 1 37 37 ASN H H 37 7.390 7.390 7.654 -0.264 18531 4091 1 16 . 1 1 38 38 GLY N N 38 108.200 108.200 107.835 0.365 18531 4092 1 16 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.298 1.102 18531 4093 1 16 . 1 1 38 38 GLY H H 38 7.800 7.800 8.095 -0.295 18531 4094 1 16 . 1 1 39 39 VAL N N 39 120.800 120.800 123.831 -3.031 18531 4095 1 16 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.914 0.226 18531 4096 1 16 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.264 -1.564 18531 4097 1 16 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531 4098 1 16 . 1 1 39 39 VAL H H 39 8.120 8.120 7.678 0.442 18531 4099 1 16 . 1 1 40 40 ASP N N 40 128.000 128.000 125.669 2.331 18531 4100 1 16 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.838 0.052 18531 4101 1 16 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.294 -0.494 18531 4102 1 16 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.870 -0.770 18531 4103 1 16 . 1 1 40 40 ASP H H 40 8.770 8.770 8.334 0.436 18531 4104 1 16 . 1 1 41 41 GLY N N 41 107.100 107.100 109.310 -2.210 18531 4105 1 16 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.756 0.644 18531 4106 1 16 . 1 1 41 41 GLY H H 41 7.910 7.910 7.850 0.060 18531 4107 1 16 . 1 1 42 42 VAL N N 42 120.300 120.300 118.787 1.513 18531 4108 1 16 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531 4109 1 16 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.852 1.248 18531 4110 1 16 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.734 0.666 18531 4111 1 16 . 1 1 42 42 VAL H H 42 8.250 8.250 7.530 0.720 18531 4112 1 16 . 1 1 43 43 TRP N N 43 130.700 130.700 127.363 3.337 18531 4113 1 16 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.339 0.021 18531 4114 1 16 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.999 1.601 18531 4115 1 16 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.957 -0.757 18531 4116 1 16 . 1 1 43 43 TRP H H 43 9.360 9.360 8.504 0.856 18531 4117 1 16 . 1 1 44 44 THR N N 44 114.500 114.500 116.006 -1.506 18531 4118 1 16 . 1 1 44 44 THR HA H 44 4.830 4.830 4.895 -0.065 18531 4119 1 16 . 1 1 44 44 THR CA C 44 60.300 60.300 61.209 -0.909 18531 4120 1 16 . 1 1 44 44 THR CB C 44 72.100 72.100 71.674 0.426 18531 4121 1 16 . 1 1 44 44 THR H H 44 9.400 9.400 8.369 1.031 18531 4122 1 16 . 1 1 45 45 TYR N N 45 120.100 120.100 121.094 -0.994 18531 4123 1 16 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.594 0.376 18531 4124 1 16 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.818 0.182 18531 4125 1 16 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.845 1.755 18531 4126 1 16 . 1 1 45 45 TYR H H 45 8.580 8.580 8.061 0.519 18531 4127 1 16 . 1 1 46 46 ASP N N 46 128.300 128.300 122.482 5.818 18531 4128 1 16 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.464 0.116 18531 4129 1 16 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.910 -0.010 18531 4130 1 16 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.299 -0.199 18531 4131 1 16 . 1 1 46 46 ASP H H 46 7.580 7.580 8.281 -0.701 18531 4132 1 16 . 1 1 47 47 ASP N N 47 124.800 124.800 126.953 -2.153 18531 4133 1 16 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.454 -0.344 18531 4134 1 16 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.614 -0.114 18531 4135 1 16 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.041 1.059 18531 4136 1 16 . 1 1 47 47 ASP H H 47 8.590 8.590 8.665 -0.075 18531 4137 1 16 . 1 1 48 48 ALA N N 48 119.700 119.700 119.778 -0.078 18531 4138 1 16 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.115 -0.025 18531 4139 1 16 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.077 0.923 18531 4140 1 16 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.812 -0.512 18531 4141 1 16 . 1 1 48 48 ALA H H 48 8.340 8.340 7.889 0.451 18531 4142 1 16 . 1 1 49 49 THR N N 49 103.200 103.200 111.238 -8.038 18531 4143 1 16 . 1 1 49 49 THR HA H 49 4.390 4.390 4.423 -0.033 18531 4144 1 16 . 1 1 49 49 THR CA C 49 60.200 60.200 61.162 -0.962 18531 4145 1 16 . 1 1 49 49 THR CB C 49 70.000 70.000 70.816 -0.815 18531 4146 1 16 . 1 1 49 49 THR H H 49 7.000 7.000 7.793 -0.793 18531 4147 1 16 . 1 1 50 50 LYS N N 50 123.100 123.100 118.720 4.380 18531 4148 1 16 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.835 -0.645 18531 4149 1 16 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.256 0.344 18531 4150 1 16 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.321 -4.721 18531 4151 1 16 . 1 1 50 50 LYS H H 50 7.860 7.860 8.419 -0.559 18531 4152 1 16 . 1 1 51 51 THR N N 51 111.200 111.200 117.688 -6.488 18531 4153 1 16 . 1 1 51 51 THR HA H 51 5.490 5.490 4.808 0.682 18531 4154 1 16 . 1 1 51 51 THR CA C 51 62.300 62.300 62.456 -0.156 18531 4155 1 16 . 1 1 51 51 THR CB C 51 72.100 72.100 69.267 2.833 18531 4156 1 16 . 1 1 51 51 THR H H 51 7.390 7.390 8.070 -0.680 18531 4157 1 16 . 1 1 52 52 PHE N N 52 131.000 131.000 128.728 2.272 18531 4158 1 16 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.429 0.201 18531 4159 1 16 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.297 1.002 18531 4160 1 16 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.302 1.298 18531 4161 1 16 . 1 1 52 52 PHE H H 52 10.390 10.390 9.311 1.079 18531 4162 1 16 . 1 1 53 53 THR N N 53 117.400 117.400 116.696 0.704 18531 4163 1 16 . 1 1 53 53 THR HA H 53 5.270 5.270 5.177 0.093 18531 4164 1 16 . 1 1 53 53 THR CA C 53 61.200 61.200 61.651 -0.451 18531 4165 1 16 . 1 1 53 53 THR CB C 53 71.000 71.000 72.564 -1.564 18531 4166 1 16 . 1 1 53 53 THR H H 53 9.180 9.180 8.459 0.721 18531 4167 1 16 . 1 1 54 54 VAL N N 54 123.000 123.000 123.451 -0.451 18531 4168 1 16 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.542 -0.082 18531 4169 1 16 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.200 -1.100 18531 4170 1 16 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.624 -2.324 18531 4171 1 16 . 1 1 54 54 VAL H H 54 8.280 8.280 8.121 0.159 18531 4172 1 16 . 1 1 55 55 THR N N 55 123.900 123.900 124.758 -0.858 18531 4173 1 16 . 1 1 55 55 THR HA H 55 4.700 4.700 4.628 0.072 18531 4174 1 16 . 1 1 55 55 THR CA C 55 61.200 61.200 61.209 -0.009 18531 4175 1 16 . 1 1 55 55 THR CB C 55 70.700 70.700 69.943 0.757 18531 4176 1 16 . 1 1 55 55 THR H H 55 8.320 8.320 8.119 0.201 18531 4177 1 17 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.211 0.839 18531 4178 1 17 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.807 -1.207 18531 4179 1 17 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.188 2.512 18531 4180 1 17 . 1 1 2 2 GLN H H 2 8.410 8.410 8.203 0.207 18531 4181 1 17 . 1 1 3 3 TYR N N 3 124.000 124.000 123.332 0.668 18531 4182 1 17 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.941 0.419 18531 4183 1 17 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.769 0.331 18531 4184 1 17 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.676 0.924 18531 4185 1 17 . 1 1 3 3 TYR H H 3 9.070 9.070 9.128 -0.058 18531 4186 1 17 . 1 1 4 4 LYS N N 4 122.500 122.500 118.934 3.566 18531 4187 1 17 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.342 -0.122 18531 4188 1 17 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.349 0.651 18531 4189 1 17 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.235 -1.235 18531 4190 1 17 . 1 1 4 4 LYS H H 4 9.100 9.100 8.262 0.838 18531 4191 1 17 . 1 1 5 5 LEU N N 5 126.400 126.400 123.481 2.919 18531 4192 1 17 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.560 0.410 18531 4193 1 17 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.043 -1.243 18531 4194 1 17 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.899 -3.299 18531 4195 1 17 . 1 1 5 5 LEU H H 5 8.620 8.620 8.571 0.049 18531 4196 1 17 . 1 1 6 6 VAL N N 6 127.000 127.000 127.042 -0.042 18531 4197 1 17 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.352 -0.192 18531 4198 1 17 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.283 2.017 18531 4199 1 17 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.187 1.513 18531 4200 1 17 . 1 1 6 6 VAL H H 6 9.190 9.190 9.037 0.153 18531 4201 1 17 . 1 1 7 7 ILE N N 7 125.400 125.400 129.685 -4.285 18531 4202 1 17 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.167 -0.077 18531 4203 1 17 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.493 -0.793 18531 4204 1 17 . 1 1 7 7 ILE CB C 7 39.000 39.000 36.629 2.371 18531 4205 1 17 . 1 1 7 7 ILE H H 7 8.800 8.800 8.132 0.668 18531 4206 1 17 . 1 1 8 8 ASN N N 8 128.900 128.900 125.932 2.968 18531 4207 1 17 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.933 0.347 18531 4208 1 17 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.572 -1.772 18531 4209 1 17 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.770 -0.671 18531 4210 1 17 . 1 1 8 8 ASN H H 8 8.990 8.990 8.298 0.692 18531 4211 1 17 . 1 1 9 9 GLY N N 9 110.200 110.200 108.029 2.171 18531 4212 1 17 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.735 -0.035 18531 4213 1 17 . 1 1 9 9 GLY H H 9 7.920 7.920 7.989 -0.069 18531 4214 1 17 . 1 1 10 10 LYS N N 10 120.700 120.700 118.701 1.999 18531 4215 1 17 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.319 -0.259 18531 4216 1 17 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.660 0.540 18531 4217 1 17 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.252 -0.352 18531 4218 1 17 . 1 1 10 10 LYS H H 10 9.520 9.520 8.508 1.012 18531 4219 1 17 . 1 1 11 11 THR N N 11 108.900 108.900 110.419 -1.519 18531 4220 1 17 . 1 1 11 11 THR HA H 11 4.360 4.360 4.313 0.047 18531 4221 1 17 . 1 1 11 11 THR CA C 11 62.000 62.000 62.263 -0.263 18531 4222 1 17 . 1 1 11 11 THR CB C 11 69.800 69.800 69.368 0.432 18531 4223 1 17 . 1 1 11 11 THR H H 11 8.790 8.790 7.790 1.000 18531 4224 1 17 . 1 1 12 12 LEU N N 12 125.700 125.700 124.068 1.632 18531 4225 1 17 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.380 0.060 18531 4226 1 17 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.455 -0.455 18531 4227 1 17 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.347 0.953 18531 4228 1 17 . 1 1 12 12 LEU H H 12 7.580 7.580 8.087 -0.507 18531 4229 1 17 . 1 1 13 13 LYS N N 13 123.500 123.500 125.865 -2.365 18531 4230 1 17 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.253 -0.133 18531 4231 1 17 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.549 -1.649 18531 4232 1 17 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.581 1.219 18531 4233 1 17 . 1 1 13 13 LYS H H 13 8.140 8.140 8.532 -0.392 18531 4234 1 17 . 1 1 14 14 GLY N N 14 109.100 109.100 110.278 -1.178 18531 4235 1 17 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.517 0.683 18531 4236 1 17 . 1 1 14 14 GLY H H 14 8.340 8.340 7.773 0.567 18531 4237 1 17 . 1 1 15 15 GLU N N 15 118.200 118.200 118.479 -0.279 18531 4238 1 17 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.595 0.005 18531 4239 1 17 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.936 -0.436 18531 4240 1 17 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.512 0.288 18531 4241 1 17 . 1 1 15 15 GLU H H 15 8.390 8.390 8.226 0.164 18531 4242 1 17 . 1 1 16 16 THR N N 16 115.600 115.600 114.550 1.050 18531 4243 1 17 . 1 1 16 16 THR HA H 16 4.730 4.730 4.772 -0.042 18531 4244 1 17 . 1 1 16 16 THR CA C 16 60.600 60.600 61.116 -0.516 18531 4245 1 17 . 1 1 16 16 THR CB C 16 69.500 69.500 69.999 -0.499 18531 4246 1 17 . 1 1 16 16 THR H H 16 8.820 8.820 8.274 0.546 18531 4247 1 17 . 1 1 17 17 THR N N 17 111.800 111.800 113.698 -1.898 18531 4248 1 17 . 1 1 17 17 THR HA H 17 5.790 5.790 5.565 0.225 18531 4249 1 17 . 1 1 17 17 THR CA C 17 59.800 59.800 60.138 -0.338 18531 4250 1 17 . 1 1 17 17 THR CB C 17 73.100 73.100 72.307 0.793 18531 4251 1 17 . 1 1 17 17 THR H H 17 8.140 8.140 8.261 -0.121 18531 4252 1 17 . 1 1 18 18 THR N N 18 115.100 115.100 115.023 0.077 18531 4253 1 17 . 1 1 18 18 THR HA H 18 4.640 4.640 4.591 0.049 18531 4254 1 17 . 1 1 18 18 THR CA C 18 61.900 61.900 61.981 -0.081 18531 4255 1 17 . 1 1 18 18 THR CB C 18 70.000 70.000 71.384 -1.384 18531 4256 1 17 . 1 1 18 18 THR H H 18 8.930 8.930 8.808 0.122 18531 4257 1 17 . 1 1 19 19 LYS N N 19 124.300 124.300 126.461 -2.161 18531 4258 1 17 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.514 0.816 18531 4259 1 17 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.304 -0.304 18531 4260 1 17 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.776 1.024 18531 4261 1 17 . 1 1 19 19 LYS H H 19 7.950 7.950 8.517 -0.567 18531 4262 1 17 . 1 1 20 20 ALA N N 20 124.600 124.600 128.267 -3.667 18531 4263 1 17 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.676 0.104 18531 4264 1 17 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.766 0.134 18531 4265 1 17 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.695 2.105 18531 4266 1 17 . 1 1 20 20 ALA H H 20 9.110 9.110 8.467 0.643 18531 4267 1 17 . 1 1 21 21 VAL N N 21 115.300 115.300 114.903 0.397 18531 4268 1 17 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.072 0.038 18531 4269 1 17 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.455 -0.154 18531 4270 1 17 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.392 0.808 18531 4271 1 17 . 1 1 21 21 VAL H H 21 8.480 8.480 8.472 0.008 18531 4272 1 17 . 1 1 22 22 ASP N N 22 115.200 115.200 113.763 1.437 18531 4273 1 17 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.851 -0.141 18531 4274 1 17 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.366 -0.966 18531 4275 1 17 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.861 0.340 18531 4276 1 17 . 1 1 22 22 ASP H H 22 7.310 7.310 7.582 -0.272 18531 4277 1 17 . 1 1 23 23 ALA N N 23 121.000 121.000 123.546 -2.546 18531 4278 1 17 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.497 -0.157 18531 4279 1 17 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.646 -0.746 18531 4280 1 17 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.790 -1.290 18531 4281 1 17 . 1 1 23 23 ALA H H 23 8.370 8.370 8.769 -0.399 18531 4282 1 17 . 1 1 24 24 GLU N N 24 118.900 118.900 117.628 1.272 18531 4283 1 17 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.864 -0.004 18531 4284 1 17 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.873 0.827 18531 4285 1 17 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.223 0.877 18531 4286 1 17 . 1 1 24 24 GLU H H 24 8.410 8.410 8.608 -0.198 18531 4287 1 17 . 1 1 25 25 THR N N 25 117.400 117.400 117.100 0.300 18531 4288 1 17 . 1 1 25 25 THR HA H 25 3.670 3.670 4.065 -0.395 18531 4289 1 17 . 1 1 25 25 THR CA C 25 66.800 66.800 66.012 0.788 18531 4290 1 17 . 1 1 25 25 THR CB C 25 68.000 68.000 68.658 -0.658 18531 4291 1 17 . 1 1 25 25 THR H H 25 8.380 8.380 7.920 0.460 18531 4292 1 17 . 1 1 26 26 ALA N N 26 125.100 125.100 123.436 1.664 18531 4293 1 17 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.963 -0.773 18531 4294 1 17 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.830 0.170 18531 4295 1 17 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.999 -0.699 18531 4296 1 17 . 1 1 26 26 ALA H H 26 7.220 7.220 7.828 -0.608 18531 4297 1 17 . 1 1 27 27 GLU N N 27 117.400 117.400 118.680 -1.280 18531 4298 1 17 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.766 -1.176 18531 4299 1 17 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.089 -0.389 18531 4300 1 17 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.077 0.123 18531 4301 1 17 . 1 1 27 27 GLU H H 27 8.370 8.370 8.407 -0.037 18531 4302 1 17 . 1 1 28 28 LYS N N 28 116.300 116.300 119.021 -2.721 18531 4303 1 17 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.859 -0.189 18531 4304 1 17 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.329 0.271 18531 4305 1 17 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.939 0.261 18531 4306 1 17 . 1 1 28 28 LYS H H 28 7.170 7.170 7.708 -0.538 18531 4307 1 17 . 1 1 29 29 ALA N N 29 122.000 122.000 121.710 0.290 18531 4308 1 17 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.081 0.009 18531 4309 1 17 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.910 -0.210 18531 4310 1 17 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.190 -0.690 18531 4311 1 17 . 1 1 29 29 ALA H H 29 7.200 7.200 7.308 -0.108 18531 4312 1 17 . 1 1 30 30 PHE N N 30 119.600 119.600 117.969 1.631 18531 4313 1 17 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.266 0.514 18531 4314 1 17 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.304 -4.704 18531 4315 1 17 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.543 -1.143 18531 4316 1 17 . 1 1 30 30 PHE H H 30 8.610 8.610 8.425 0.185 18531 4317 1 17 . 1 1 31 31 LYS N N 31 122.800 122.800 117.395 5.405 18531 4318 1 17 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.907 0.183 18531 4319 1 17 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.576 0.124 18531 4320 1 17 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.571 0.029 18531 4321 1 17 . 1 1 31 31 LYS H H 31 9.030 9.030 8.491 0.539 18531 4322 1 17 . 1 1 32 32 GLN N N 32 119.600 119.600 119.827 -0.227 18531 4323 1 17 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.075 -0.045 18531 4324 1 17 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.352 -0.652 18531 4325 1 17 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.519 -0.419 18531 4326 1 17 . 1 1 32 32 GLN H H 32 7.510 7.510 7.965 -0.455 18531 4327 1 17 . 1 1 33 33 TYR N N 33 120.400 120.400 120.466 -0.066 18531 4328 1 17 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.146 0.104 18531 4329 1 17 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.492 0.308 18531 4330 1 17 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.327 0.373 18531 4331 1 17 . 1 1 33 33 TYR H H 33 8.080 8.080 7.854 0.226 18531 4332 1 17 . 1 1 34 34 ALA N N 34 122.300 122.300 121.100 1.200 18531 4333 1 17 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.929 -0.149 18531 4334 1 17 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.300 0.800 18531 4335 1 17 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.493 -0.793 18531 4336 1 17 . 1 1 34 34 ALA H H 34 9.210 9.210 7.937 1.273 18531 4337 1 17 . 1 1 35 35 ASN N N 35 117.700 117.700 117.519 0.181 18531 4338 1 17 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.448 0.012 18531 4339 1 17 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.050 0.950 18531 4340 1 17 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.014 0.986 18531 4341 1 17 . 1 1 35 35 ASN H H 35 8.390 8.390 8.456 -0.066 18531 4342 1 17 . 1 1 36 36 ASP N N 36 121.100 121.100 120.188 0.912 18531 4343 1 17 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.437 -0.077 18531 4344 1 17 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.011 -0.311 18531 4345 1 17 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.520 -0.520 18531 4346 1 17 . 1 1 36 36 ASP H H 36 8.830 8.830 8.818 0.012 18531 4347 1 17 . 1 1 37 37 ASN N N 37 115.200 115.200 114.850 0.350 18531 4348 1 17 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.718 -0.108 18531 4349 1 17 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.872 0.828 18531 4350 1 17 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.028 0.972 18531 4351 1 17 . 1 1 37 37 ASN H H 37 7.390 7.390 7.609 -0.220 18531 4352 1 17 . 1 1 38 38 GLY N N 38 108.200 108.200 108.185 0.015 18531 4353 1 17 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.098 0.302 18531 4354 1 17 . 1 1 38 38 GLY H H 38 7.800 7.800 8.157 -0.357 18531 4355 1 17 . 1 1 39 39 VAL N N 39 120.800 120.800 120.666 0.134 18531 4356 1 17 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.019 0.121 18531 4357 1 17 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.807 -1.107 18531 4358 1 17 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.730 1.570 18531 4359 1 17 . 1 1 39 39 VAL H H 39 8.120 8.120 8.121 -0.001 18531 4360 1 17 . 1 1 40 40 ASP N N 40 128.000 128.000 127.168 0.832 18531 4361 1 17 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.853 0.037 18531 4362 1 17 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.325 0.475 18531 4363 1 17 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.880 -0.780 18531 4364 1 17 . 1 1 40 40 ASP H H 40 8.770 8.770 8.167 0.603 18531 4365 1 17 . 1 1 41 41 GLY N N 41 107.100 107.100 107.611 -0.511 18531 4366 1 17 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.099 0.301 18531 4367 1 17 . 1 1 41 41 GLY H H 41 7.910 7.910 8.351 -0.441 18531 4368 1 17 . 1 1 42 42 VAL N N 42 120.300 120.300 119.901 0.399 18531 4369 1 17 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.482 -0.102 18531 4370 1 17 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.611 0.489 18531 4371 1 17 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.315 1.085 18531 4372 1 17 . 1 1 42 42 VAL H H 42 8.250 8.250 8.059 0.191 18531 4373 1 17 . 1 1 43 43 TRP N N 43 130.700 130.700 128.066 2.634 18531 4374 1 17 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.888 0.472 18531 4375 1 17 . 1 1 43 43 TRP CA C 43 57.600 57.600 57.024 0.576 18531 4376 1 17 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.069 0.131 18531 4377 1 17 . 1 1 43 43 TRP H H 43 9.360 9.360 8.698 0.662 18531 4378 1 17 . 1 1 44 44 THR N N 44 114.500 114.500 115.816 -1.316 18531 4379 1 17 . 1 1 44 44 THR HA H 44 4.830 4.830 4.879 -0.049 18531 4380 1 17 . 1 1 44 44 THR CA C 44 60.300 60.300 61.102 -0.802 18531 4381 1 17 . 1 1 44 44 THR CB C 44 72.100 72.100 71.094 1.006 18531 4382 1 17 . 1 1 44 44 THR H H 44 9.400 9.400 8.616 0.784 18531 4383 1 17 . 1 1 45 45 TYR N N 45 120.100 120.100 119.172 0.928 18531 4384 1 17 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.183 -0.213 18531 4385 1 17 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.950 0.050 18531 4386 1 17 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.393 1.207 18531 4387 1 17 . 1 1 45 45 TYR H H 45 8.580 8.580 8.330 0.250 18531 4388 1 17 . 1 1 46 46 ASP N N 46 128.300 128.300 122.493 5.807 18531 4389 1 17 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.597 -0.017 18531 4390 1 17 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.048 -0.148 18531 4391 1 17 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.451 -0.351 18531 4392 1 17 . 1 1 46 46 ASP H H 46 7.580 7.580 8.675 -1.095 18531 4393 1 17 . 1 1 47 47 ASP N N 47 124.800 124.800 127.105 -2.305 18531 4394 1 17 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.264 -0.154 18531 4395 1 17 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.474 0.026 18531 4396 1 17 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.978 1.122 18531 4397 1 17 . 1 1 47 47 ASP H H 47 8.590 8.590 8.647 -0.057 18531 4398 1 17 . 1 1 48 48 ALA N N 48 119.700 119.700 120.029 -0.329 18531 4399 1 17 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.111 -0.021 18531 4400 1 17 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.925 1.075 18531 4401 1 17 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.928 -0.628 18531 4402 1 17 . 1 1 48 48 ALA H H 48 8.340 8.340 8.105 0.235 18531 4403 1 17 . 1 1 49 49 THR N N 49 103.200 103.200 110.676 -7.476 18531 4404 1 17 . 1 1 49 49 THR HA H 49 4.390 4.390 4.478 -0.088 18531 4405 1 17 . 1 1 49 49 THR CA C 49 60.200 60.200 60.082 0.118 18531 4406 1 17 . 1 1 49 49 THR CB C 49 70.000 70.000 70.213 -0.213 18531 4407 1 17 . 1 1 49 49 THR H H 49 7.000 7.000 7.813 -0.813 18531 4408 1 17 . 1 1 50 50 LYS N N 50 123.100 123.100 118.848 4.252 18531 4409 1 17 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.840 -0.650 18531 4410 1 17 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.762 0.838 18531 4411 1 17 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.327 -4.727 18531 4412 1 17 . 1 1 50 50 LYS H H 50 7.860 7.860 8.342 -0.482 18531 4413 1 17 . 1 1 51 51 THR N N 51 111.200 111.200 115.214 -4.014 18531 4414 1 17 . 1 1 51 51 THR HA H 51 5.490 5.490 4.506 0.984 18531 4415 1 17 . 1 1 51 51 THR CA C 51 62.300 62.300 60.544 1.756 18531 4416 1 17 . 1 1 51 51 THR CB C 51 72.100 72.100 69.868 2.232 18531 4417 1 17 . 1 1 51 51 THR H H 51 7.390 7.390 7.793 -0.403 18531 4418 1 17 . 1 1 52 52 PHE N N 52 131.000 131.000 126.703 4.297 18531 4419 1 17 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.213 0.417 18531 4420 1 17 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.515 2.785 18531 4421 1 17 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.696 0.904 18531 4422 1 17 . 1 1 52 52 PHE H H 52 10.390 10.390 7.954 2.436 18531 4423 1 17 . 1 1 53 53 THR N N 53 117.400 117.400 117.229 0.171 18531 4424 1 17 . 1 1 53 53 THR HA H 53 5.270 5.270 4.898 0.372 18531 4425 1 17 . 1 1 53 53 THR CA C 53 61.200 61.200 61.856 -0.656 18531 4426 1 17 . 1 1 53 53 THR CB C 53 71.000 71.000 70.951 0.049 18531 4427 1 17 . 1 1 53 53 THR H H 53 9.180 9.180 8.618 0.562 18531 4428 1 17 . 1 1 54 54 VAL N N 54 123.000 123.000 128.477 -5.477 18531 4429 1 17 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.959 0.501 18531 4430 1 17 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.722 -2.622 18531 4431 1 17 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.611 -0.311 18531 4432 1 17 . 1 1 54 54 VAL H H 54 8.280 8.280 8.527 -0.247 18531 4433 1 17 . 1 1 55 55 THR N N 55 123.900 123.900 121.977 1.923 18531 4434 1 17 . 1 1 55 55 THR HA H 55 4.700 4.700 4.601 0.099 18531 4435 1 17 . 1 1 55 55 THR CA C 55 61.200 61.200 58.869 2.331 18531 4436 1 17 . 1 1 55 55 THR CB C 55 70.700 70.700 70.515 0.185 18531 4437 1 17 . 1 1 55 55 THR H H 55 8.320 8.320 8.362 -0.042 18531 4438 1 18 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.393 -0.343 18531 4439 1 18 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.099 1.501 18531 4440 1 18 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.241 0.459 18531 4441 1 18 . 1 1 2 2 GLN H H 2 8.410 8.410 8.070 0.340 18531 4442 1 18 . 1 1 3 3 TYR N N 3 124.000 124.000 122.093 1.907 18531 4443 1 18 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.043 0.317 18531 4444 1 18 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.521 0.579 18531 4445 1 18 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.428 2.172 18531 4446 1 18 . 1 1 3 3 TYR H H 3 9.070 9.070 7.961 1.109 18531 4447 1 18 . 1 1 4 4 LYS N N 4 122.500 122.500 119.538 2.962 18531 4448 1 18 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.435 -0.215 18531 4449 1 18 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.395 0.605 18531 4450 1 18 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.012 -1.012 18531 4451 1 18 . 1 1 4 4 LYS H H 4 9.100 9.100 8.873 0.227 18531 4452 1 18 . 1 1 5 5 LEU N N 5 126.400 126.400 125.303 1.097 18531 4453 1 18 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.161 -0.191 18531 4454 1 18 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.160 -1.360 18531 4455 1 18 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.707 -2.107 18531 4456 1 18 . 1 1 5 5 LEU H H 5 8.620 8.620 8.469 0.151 18531 4457 1 18 . 1 1 6 6 VAL N N 6 127.000 127.000 127.291 -0.291 18531 4458 1 18 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.724 -0.564 18531 4459 1 18 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.184 1.116 18531 4460 1 18 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.274 -1.574 18531 4461 1 18 . 1 1 6 6 VAL H H 6 9.190 9.190 9.287 -0.097 18531 4462 1 18 . 1 1 7 7 ILE N N 7 125.400 125.400 126.344 -0.944 18531 4463 1 18 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.319 -0.229 18531 4464 1 18 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.525 0.175 18531 4465 1 18 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.029 0.971 18531 4466 1 18 . 1 1 7 7 ILE H H 7 8.800 8.800 9.127 -0.327 18531 4467 1 18 . 1 1 8 8 ASN N N 8 128.900 128.900 124.804 4.096 18531 4468 1 18 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.896 0.384 18531 4469 1 18 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.525 -1.725 18531 4470 1 18 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.771 -0.671 18531 4471 1 18 . 1 1 8 8 ASN H H 8 8.990 8.990 8.021 0.969 18531 4472 1 18 . 1 1 9 9 GLY N N 9 110.200 110.200 107.464 2.736 18531 4473 1 18 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.607 0.093 18531 4474 1 18 . 1 1 9 9 GLY H H 9 7.920 7.920 7.741 0.179 18531 4475 1 18 . 1 1 10 10 LYS N N 10 120.700 120.700 118.816 1.884 18531 4476 1 18 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.283 -0.223 18531 4477 1 18 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.567 0.633 18531 4478 1 18 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.953 -0.053 18531 4479 1 18 . 1 1 10 10 LYS H H 10 9.520 9.520 8.620 0.900 18531 4480 1 18 . 1 1 11 11 THR N N 11 108.900 108.900 113.551 -4.651 18531 4481 1 18 . 1 1 11 11 THR HA H 11 4.360 4.360 4.412 -0.052 18531 4482 1 18 . 1 1 11 11 THR CA C 11 62.000 62.000 62.051 -0.051 18531 4483 1 18 . 1 1 11 11 THR CB C 11 69.800 69.800 69.286 0.514 18531 4484 1 18 . 1 1 11 11 THR H H 11 8.790 8.790 8.056 0.734 18531 4485 1 18 . 1 1 12 12 LEU N N 12 125.700 125.700 124.081 1.619 18531 4486 1 18 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.508 -0.068 18531 4487 1 18 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.346 -0.346 18531 4488 1 18 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.706 -1.407 18531 4489 1 18 . 1 1 12 12 LEU H H 12 7.580 7.580 7.572 0.008 18531 4490 1 18 . 1 1 13 13 LYS N N 13 123.500 123.500 123.585 -0.085 18531 4491 1 18 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.303 -0.183 18531 4492 1 18 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.676 -1.776 18531 4493 1 18 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.822 0.978 18531 4494 1 18 . 1 1 13 13 LYS H H 13 8.140 8.140 8.450 -0.310 18531 4495 1 18 . 1 1 14 14 GLY N N 14 109.100 109.100 110.854 -1.754 18531 4496 1 18 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.025 0.175 18531 4497 1 18 . 1 1 14 14 GLY H H 14 8.340 8.340 7.808 0.532 18531 4498 1 18 . 1 1 15 15 GLU N N 15 118.200 118.200 118.714 -0.514 18531 4499 1 18 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.613 -0.013 18531 4500 1 18 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.847 -0.347 18531 4501 1 18 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.628 0.172 18531 4502 1 18 . 1 1 15 15 GLU H H 15 8.390 8.390 8.285 0.105 18531 4503 1 18 . 1 1 16 16 THR N N 16 115.600 115.600 114.598 1.002 18531 4504 1 18 . 1 1 16 16 THR HA H 16 4.730 4.730 4.736 -0.006 18531 4505 1 18 . 1 1 16 16 THR CA C 16 60.600 60.600 60.071 0.529 18531 4506 1 18 . 1 1 16 16 THR CB C 16 69.500 69.500 69.410 0.090 18531 4507 1 18 . 1 1 16 16 THR H H 16 8.820 8.820 8.521 0.299 18531 4508 1 18 . 1 1 17 17 THR N N 17 111.800 111.800 113.942 -2.142 18531 4509 1 18 . 1 1 17 17 THR HA H 17 5.790 5.790 5.526 0.264 18531 4510 1 18 . 1 1 17 17 THR CA C 17 59.800 59.800 60.721 -0.921 18531 4511 1 18 . 1 1 17 17 THR CB C 17 73.100 73.100 72.086 1.014 18531 4512 1 18 . 1 1 17 17 THR H H 17 8.140 8.140 8.211 -0.071 18531 4513 1 18 . 1 1 18 18 THR N N 18 115.100 115.100 113.906 1.194 18531 4514 1 18 . 1 1 18 18 THR HA H 18 4.640 4.640 4.592 0.048 18531 4515 1 18 . 1 1 18 18 THR CA C 18 61.900 61.900 61.066 0.834 18531 4516 1 18 . 1 1 18 18 THR CB C 18 70.000 70.000 69.214 0.786 18531 4517 1 18 . 1 1 18 18 THR H H 18 8.930 8.930 8.225 0.705 18531 4518 1 18 . 1 1 19 19 LYS N N 19 124.300 124.300 120.398 3.902 18531 4519 1 18 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.404 -0.074 18531 4520 1 18 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.616 -0.616 18531 4521 1 18 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.922 -0.122 18531 4522 1 18 . 1 1 19 19 LYS H H 19 7.950 7.950 8.322 -0.372 18531 4523 1 18 . 1 1 20 20 ALA N N 20 124.600 124.600 126.420 -1.820 18531 4524 1 18 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.671 0.109 18531 4525 1 18 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.045 -0.145 18531 4526 1 18 . 1 1 20 20 ALA CB C 20 23.800 23.800 20.593 3.207 18531 4527 1 18 . 1 1 20 20 ALA H H 20 9.110 9.110 8.647 0.463 18531 4528 1 18 . 1 1 21 21 VAL N N 21 115.300 115.300 119.306 -4.006 18531 4529 1 18 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.080 0.030 18531 4530 1 18 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.612 -0.312 18531 4531 1 18 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.200 1.000 18531 4532 1 18 . 1 1 21 21 VAL H H 21 8.480 8.480 8.686 -0.206 18531 4533 1 18 . 1 1 22 22 ASP N N 22 115.200 115.200 113.862 1.338 18531 4534 1 18 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.652 0.058 18531 4535 1 18 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.302 -0.902 18531 4536 1 18 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.145 0.055 18531 4537 1 18 . 1 1 22 22 ASP H H 22 7.310 7.310 7.503 -0.193 18531 4538 1 18 . 1 1 23 23 ALA N N 23 121.000 121.000 123.589 -2.589 18531 4539 1 18 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.546 -0.206 18531 4540 1 18 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.092 -0.192 18531 4541 1 18 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.433 -0.933 18531 4542 1 18 . 1 1 23 23 ALA H H 23 8.370 8.370 8.735 -0.365 18531 4543 1 18 . 1 1 24 24 GLU N N 24 118.900 118.900 117.424 1.476 18531 4544 1 18 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.890 -0.030 18531 4545 1 18 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.504 0.196 18531 4546 1 18 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.834 0.266 18531 4547 1 18 . 1 1 24 24 GLU H H 24 8.410 8.410 8.684 -0.274 18531 4548 1 18 . 1 1 25 25 THR N N 25 117.400 117.400 115.573 1.827 18531 4549 1 18 . 1 1 25 25 THR HA H 25 3.670 3.670 4.080 -0.410 18531 4550 1 18 . 1 1 25 25 THR CA C 25 66.800 66.800 65.036 1.764 18531 4551 1 18 . 1 1 25 25 THR CB C 25 68.000 68.000 69.018 -1.018 18531 4552 1 18 . 1 1 25 25 THR H H 25 8.380 8.380 7.759 0.621 18531 4553 1 18 . 1 1 26 26 ALA N N 26 125.100 125.100 124.426 0.674 18531 4554 1 18 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.490 -0.300 18531 4555 1 18 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.899 0.101 18531 4556 1 18 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.245 0.054 18531 4557 1 18 . 1 1 26 26 ALA H H 26 7.220 7.220 8.221 -1.001 18531 4558 1 18 . 1 1 27 27 GLU N N 27 117.400 117.400 117.151 0.249 18531 4559 1 18 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.697 -1.107 18531 4560 1 18 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.145 0.555 18531 4561 1 18 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.387 -0.187 18531 4562 1 18 . 1 1 27 27 GLU H H 27 8.370 8.370 7.933 0.437 18531 4563 1 18 . 1 1 28 28 LYS N N 28 116.300 116.300 117.576 -1.276 18531 4564 1 18 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.946 -0.276 18531 4565 1 18 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.216 1.384 18531 4566 1 18 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.031 0.169 18531 4567 1 18 . 1 1 28 28 LYS H H 28 7.170 7.170 7.109 0.061 18531 4568 1 18 . 1 1 29 29 ALA N N 29 122.000 122.000 120.106 1.894 18531 4569 1 18 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.134 -0.044 18531 4570 1 18 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.190 0.510 18531 4571 1 18 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.450 -0.949 18531 4572 1 18 . 1 1 29 29 ALA H H 29 7.200 7.200 7.302 -0.102 18531 4573 1 18 . 1 1 30 30 PHE N N 30 119.600 119.600 117.249 2.351 18531 4574 1 18 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.281 0.499 18531 4575 1 18 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.475 -2.875 18531 4576 1 18 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.231 -0.831 18531 4577 1 18 . 1 1 30 30 PHE H H 30 8.610 8.610 7.463 1.147 18531 4578 1 18 . 1 1 31 31 LYS N N 31 122.800 122.800 116.943 5.857 18531 4579 1 18 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.968 0.122 18531 4580 1 18 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.391 1.309 18531 4581 1 18 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.521 0.079 18531 4582 1 18 . 1 1 31 31 LYS H H 31 9.030 9.030 7.452 1.578 18531 4583 1 18 . 1 1 32 32 GLN N N 32 119.600 119.600 119.052 0.548 18531 4584 1 18 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.188 -0.158 18531 4585 1 18 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.655 0.045 18531 4586 1 18 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.366 -1.266 18531 4587 1 18 . 1 1 32 32 GLN H H 32 7.510 7.510 7.401 0.109 18531 4588 1 18 . 1 1 33 33 TYR N N 33 120.400 120.400 121.310 -0.910 18531 4589 1 18 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.108 0.142 18531 4590 1 18 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.346 0.454 18531 4591 1 18 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.384 0.316 18531 4592 1 18 . 1 1 33 33 TYR H H 33 8.080 8.080 7.655 0.425 18531 4593 1 18 . 1 1 34 34 ALA N N 34 122.300 122.300 119.937 2.363 18531 4594 1 18 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.852 -0.072 18531 4595 1 18 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.429 0.671 18531 4596 1 18 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.316 -0.616 18531 4597 1 18 . 1 1 34 34 ALA H H 34 9.210 9.210 8.212 0.998 18531 4598 1 18 . 1 1 35 35 ASN N N 35 117.700 117.700 116.401 1.299 18531 4599 1 18 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.531 -0.071 18531 4600 1 18 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.569 1.431 18531 4601 1 18 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.166 0.834 18531 4602 1 18 . 1 1 35 35 ASN H H 35 8.390 8.390 8.132 0.258 18531 4603 1 18 . 1 1 36 36 ASP N N 36 121.100 121.100 120.298 0.802 18531 4604 1 18 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.561 -0.201 18531 4605 1 18 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.463 0.237 18531 4606 1 18 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.279 -1.278 18531 4607 1 18 . 1 1 36 36 ASP H H 36 8.830 8.830 8.063 0.767 18531 4608 1 18 . 1 1 37 37 ASN N N 37 115.200 115.200 116.413 -1.213 18531 4609 1 18 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.827 -0.217 18531 4610 1 18 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.659 1.041 18531 4611 1 18 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.545 1.455 18531 4612 1 18 . 1 1 37 37 ASN H H 37 7.390 7.390 7.582 -0.192 18531 4613 1 18 . 1 1 38 38 GLY N N 38 108.200 108.200 108.086 0.114 18531 4614 1 18 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.276 0.124 18531 4615 1 18 . 1 1 38 38 GLY H H 38 7.800 7.800 7.618 0.182 18531 4616 1 18 . 1 1 39 39 VAL N N 39 120.800 120.800 119.750 1.050 18531 4617 1 18 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.235 -0.095 18531 4618 1 18 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.002 -0.302 18531 4619 1 18 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.681 0.619 18531 4620 1 18 . 1 1 39 39 VAL H H 39 8.120 8.120 7.895 0.225 18531 4621 1 18 . 1 1 40 40 ASP N N 40 128.000 128.000 128.776 -0.776 18531 4622 1 18 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.849 0.041 18531 4623 1 18 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.869 -0.069 18531 4624 1 18 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.508 -0.408 18531 4625 1 18 . 1 1 40 40 ASP H H 40 8.770 8.770 8.789 -0.019 18531 4626 1 18 . 1 1 41 41 GLY N N 41 107.100 107.100 109.697 -2.597 18531 4627 1 18 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.565 0.835 18531 4628 1 18 . 1 1 41 41 GLY H H 41 7.910 7.910 7.940 -0.030 18531 4629 1 18 . 1 1 42 42 VAL N N 42 120.300 120.300 121.373 -1.073 18531 4630 1 18 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.323 0.057 18531 4631 1 18 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.779 2.321 18531 4632 1 18 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.520 -0.120 18531 4633 1 18 . 1 1 42 42 VAL H H 42 8.250 8.250 7.683 0.567 18531 4634 1 18 . 1 1 43 43 TRP N N 43 130.700 130.700 128.990 1.710 18531 4635 1 18 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.288 0.072 18531 4636 1 18 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.919 1.681 18531 4637 1 18 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.721 -0.521 18531 4638 1 18 . 1 1 43 43 TRP H H 43 9.360 9.360 8.508 0.852 18531 4639 1 18 . 1 1 44 44 THR N N 44 114.500 114.500 117.497 -2.997 18531 4640 1 18 . 1 1 44 44 THR HA H 44 4.830 4.830 4.829 0.001 18531 4641 1 18 . 1 1 44 44 THR CA C 44 60.300 60.300 61.351 -1.051 18531 4642 1 18 . 1 1 44 44 THR CB C 44 72.100 72.100 71.092 1.008 18531 4643 1 18 . 1 1 44 44 THR H H 44 9.400 9.400 8.478 0.922 18531 4644 1 18 . 1 1 45 45 TYR N N 45 120.100 120.100 123.896 -3.796 18531 4645 1 18 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531 4646 1 18 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.425 0.575 18531 4647 1 18 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.131 1.469 18531 4648 1 18 . 1 1 45 45 TYR H H 45 8.580 8.580 8.178 0.402 18531 4649 1 18 . 1 1 46 46 ASP N N 46 128.300 128.300 122.913 5.387 18531 4650 1 18 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.485 0.095 18531 4651 1 18 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.954 -0.054 18531 4652 1 18 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.151 -1.051 18531 4653 1 18 . 1 1 46 46 ASP H H 46 7.580 7.580 8.328 -0.748 18531 4654 1 18 . 1 1 47 47 ASP N N 47 124.800 124.800 123.681 1.119 18531 4655 1 18 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.466 -0.356 18531 4656 1 18 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.599 -0.099 18531 4657 1 18 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.188 0.912 18531 4658 1 18 . 1 1 47 47 ASP H H 47 8.590 8.590 8.477 0.113 18531 4659 1 18 . 1 1 48 48 ALA N N 48 119.700 119.700 120.963 -1.263 18531 4660 1 18 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.083 0.007 18531 4661 1 18 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.157 0.843 18531 4662 1 18 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.029 -0.729 18531 4663 1 18 . 1 1 48 48 ALA H H 48 8.340 8.340 8.102 0.238 18531 4664 1 18 . 1 1 49 49 THR N N 49 103.200 103.200 111.109 -7.909 18531 4665 1 18 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531 4666 1 18 . 1 1 49 49 THR CA C 49 60.200 60.200 60.404 -0.204 18531 4667 1 18 . 1 1 49 49 THR CB C 49 70.000 70.000 70.707 -0.707 18531 4668 1 18 . 1 1 49 49 THR H H 49 7.000 7.000 7.569 -0.569 18531 4669 1 18 . 1 1 50 50 LYS N N 50 123.100 123.100 118.830 4.270 18531 4670 1 18 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.850 -0.660 18531 4671 1 18 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.120 0.480 18531 4672 1 18 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.457 -4.857 18531 4673 1 18 . 1 1 50 50 LYS H H 50 7.860 7.860 8.431 -0.571 18531 4674 1 18 . 1 1 51 51 THR N N 51 111.200 111.200 117.508 -6.308 18531 4675 1 18 . 1 1 51 51 THR HA H 51 5.490 5.490 4.955 0.535 18531 4676 1 18 . 1 1 51 51 THR CA C 51 62.300 62.300 62.280 0.020 18531 4677 1 18 . 1 1 51 51 THR CB C 51 72.100 72.100 69.552 2.548 18531 4678 1 18 . 1 1 51 51 THR H H 51 7.390 7.390 7.993 -0.603 18531 4679 1 18 . 1 1 52 52 PHE N N 52 131.000 131.000 127.846 3.154 18531 4680 1 18 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.355 0.275 18531 4681 1 18 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.164 1.136 18531 4682 1 18 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.633 0.967 18531 4683 1 18 . 1 1 52 52 PHE H H 52 10.390 10.390 9.381 1.009 18531 4684 1 18 . 1 1 53 53 THR N N 53 117.400 117.400 118.086 -0.686 18531 4685 1 18 . 1 1 53 53 THR HA H 53 5.270 5.270 5.133 0.137 18531 4686 1 18 . 1 1 53 53 THR CA C 53 61.200 61.200 61.520 -0.320 18531 4687 1 18 . 1 1 53 53 THR CB C 53 71.000 71.000 71.781 -0.781 18531 4688 1 18 . 1 1 53 53 THR H H 53 9.180 9.180 8.442 0.738 18531 4689 1 18 . 1 1 54 54 VAL N N 54 123.000 123.000 126.046 -3.046 18531 4690 1 18 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.618 -0.158 18531 4691 1 18 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.735 -1.635 18531 4692 1 18 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.019 -1.719 18531 4693 1 18 . 1 1 54 54 VAL H H 54 8.280 8.280 8.225 0.055 18531 4694 1 18 . 1 1 55 55 THR N N 55 123.900 123.900 125.360 -1.460 18531 4695 1 18 . 1 1 55 55 THR HA H 55 4.700 4.700 4.780 -0.080 18531 4696 1 18 . 1 1 55 55 THR CA C 55 61.200 61.200 61.155 0.045 18531 4697 1 18 . 1 1 55 55 THR CB C 55 70.700 70.700 70.367 0.333 18531 4698 1 18 . 1 1 55 55 THR H H 55 8.320 8.320 7.825 0.495 18531 4699 1 19 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.274 -0.224 18531 4700 1 19 . 1 1 2 2 GLN CA C 2 55.600 55.600 53.985 1.615 18531 4701 1 19 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.465 0.235 18531 4702 1 19 . 1 1 2 2 GLN H H 2 8.410 8.410 8.026 0.384 18531 4703 1 19 . 1 1 3 3 TYR N N 3 124.000 124.000 122.652 1.348 18531 4704 1 19 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.092 0.268 18531 4705 1 19 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.937 0.163 18531 4706 1 19 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.996 1.604 18531 4707 1 19 . 1 1 3 3 TYR H H 3 9.070 9.070 8.295 0.775 18531 4708 1 19 . 1 1 4 4 LYS N N 4 122.500 122.500 121.880 0.620 18531 4709 1 19 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.451 -0.231 18531 4710 1 19 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.362 0.638 18531 4711 1 19 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.508 -0.508 18531 4712 1 19 . 1 1 4 4 LYS H H 4 9.100 9.100 9.397 -0.297 18531 4713 1 19 . 1 1 5 5 LEU N N 5 126.400 126.400 125.342 1.058 18531 4714 1 19 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.380 -0.410 18531 4715 1 19 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.981 -0.181 18531 4716 1 19 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.173 -3.573 18531 4717 1 19 . 1 1 5 5 LEU H H 5 8.620 8.620 8.899 -0.279 18531 4718 1 19 . 1 1 6 6 VAL N N 6 127.000 127.000 123.738 3.262 18531 4719 1 19 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.838 -0.678 18531 4720 1 19 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.690 1.610 18531 4721 1 19 . 1 1 6 6 VAL CB C 6 32.700 32.700 35.576 -2.876 18531 4722 1 19 . 1 1 6 6 VAL H H 6 9.190 9.190 9.080 0.110 18531 4723 1 19 . 1 1 7 7 ILE N N 7 125.400 125.400 126.687 -1.287 18531 4724 1 19 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.288 -0.198 18531 4725 1 19 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.707 -0.007 18531 4726 1 19 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.946 0.055 18531 4727 1 19 . 1 1 7 7 ILE H H 7 8.800 8.800 9.179 -0.379 18531 4728 1 19 . 1 1 8 8 ASN N N 8 128.900 128.900 126.034 2.866 18531 4729 1 19 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.967 0.313 18531 4730 1 19 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.615 -1.815 18531 4731 1 19 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.014 -0.914 18531 4732 1 19 . 1 1 8 8 ASN H H 8 8.990 8.990 8.637 0.353 18531 4733 1 19 . 1 1 9 9 GLY N N 9 110.200 110.200 107.957 2.243 18531 4734 1 19 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.925 0.775 18531 4735 1 19 . 1 1 9 9 GLY H H 9 7.920 7.920 7.794 0.126 18531 4736 1 19 . 1 1 10 10 LYS N N 10 120.700 120.700 119.816 0.884 18531 4737 1 19 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.252 -0.192 18531 4738 1 19 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.708 0.492 18531 4739 1 19 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.718 0.182 18531 4740 1 19 . 1 1 10 10 LYS H H 10 9.520 9.520 8.762 0.758 18531 4741 1 19 . 1 1 11 11 THR N N 11 108.900 108.900 110.551 -1.651 18531 4742 1 19 . 1 1 11 11 THR HA H 11 4.360 4.360 4.322 0.038 18531 4743 1 19 . 1 1 11 11 THR CA C 11 62.000 62.000 62.065 -0.065 18531 4744 1 19 . 1 1 11 11 THR CB C 11 69.800 69.800 69.468 0.332 18531 4745 1 19 . 1 1 11 11 THR H H 11 8.790 8.790 7.928 0.862 18531 4746 1 19 . 1 1 12 12 LEU N N 12 125.700 125.700 123.906 1.794 18531 4747 1 19 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.419 0.021 18531 4748 1 19 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.252 -0.252 18531 4749 1 19 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.972 0.328 18531 4750 1 19 . 1 1 12 12 LEU H H 12 7.580 7.580 8.072 -0.492 18531 4751 1 19 . 1 1 13 13 LYS N N 13 123.500 123.500 124.860 -1.360 18531 4752 1 19 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.184 -0.064 18531 4753 1 19 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.724 -1.824 18531 4754 1 19 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.001 0.799 18531 4755 1 19 . 1 1 13 13 LYS H H 13 8.140 8.140 8.481 -0.341 18531 4756 1 19 . 1 1 14 14 GLY N N 14 109.100 109.100 110.768 -1.668 18531 4757 1 19 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.848 0.352 18531 4758 1 19 . 1 1 14 14 GLY H H 14 8.340 8.340 7.870 0.470 18531 4759 1 19 . 1 1 15 15 GLU N N 15 118.200 118.200 118.756 -0.556 18531 4760 1 19 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.474 0.126 18531 4761 1 19 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.022 -0.522 18531 4762 1 19 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.961 -0.161 18531 4763 1 19 . 1 1 15 15 GLU H H 15 8.390 8.390 8.374 0.016 18531 4764 1 19 . 1 1 16 16 THR N N 16 115.600 115.600 114.863 0.737 18531 4765 1 19 . 1 1 16 16 THR HA H 16 4.730 4.730 4.881 -0.151 18531 4766 1 19 . 1 1 16 16 THR CA C 16 60.600 60.600 59.853 0.747 18531 4767 1 19 . 1 1 16 16 THR CB C 16 69.500 69.500 70.137 -0.637 18531 4768 1 19 . 1 1 16 16 THR H H 16 8.820 8.820 8.780 0.040 18531 4769 1 19 . 1 1 17 17 THR N N 17 111.800 111.800 114.703 -2.903 18531 4770 1 19 . 1 1 17 17 THR HA H 17 5.790 5.790 5.821 -0.031 18531 4771 1 19 . 1 1 17 17 THR CA C 17 59.800 59.800 60.547 -0.747 18531 4772 1 19 . 1 1 17 17 THR CB C 17 73.100 73.100 72.252 0.848 18531 4773 1 19 . 1 1 17 17 THR H H 17 8.140 8.140 8.279 -0.139 18531 4774 1 19 . 1 1 18 18 THR N N 18 115.100 115.100 113.446 1.654 18531 4775 1 19 . 1 1 18 18 THR HA H 18 4.640 4.640 4.521 0.119 18531 4776 1 19 . 1 1 18 18 THR CA C 18 61.900 61.900 61.112 0.788 18531 4777 1 19 . 1 1 18 18 THR CB C 18 70.000 70.000 69.481 0.520 18531 4778 1 19 . 1 1 18 18 THR H H 18 8.930 8.930 8.620 0.310 18531 4779 1 19 . 1 1 19 19 LYS N N 19 124.300 124.300 120.798 3.502 18531 4780 1 19 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.294 0.036 18531 4781 1 19 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.521 -0.521 18531 4782 1 19 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.494 -0.694 18531 4783 1 19 . 1 1 19 19 LYS H H 19 7.950 7.950 8.306 -0.356 18531 4784 1 19 . 1 1 20 20 ALA N N 20 124.600 124.600 127.531 -2.931 18531 4785 1 19 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.743 0.037 18531 4786 1 19 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.783 -0.883 18531 4787 1 19 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.364 2.436 18531 4788 1 19 . 1 1 20 20 ALA H H 20 9.110 9.110 8.346 0.764 18531 4789 1 19 . 1 1 21 21 VAL N N 21 115.300 115.300 115.637 -0.337 18531 4790 1 19 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.252 -0.142 18531 4791 1 19 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.242 0.058 18531 4792 1 19 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.501 0.699 18531 4793 1 19 . 1 1 21 21 VAL H H 21 8.480 8.480 8.505 -0.025 18531 4794 1 19 . 1 1 22 22 ASP N N 22 115.200 115.200 116.455 -1.255 18531 4795 1 19 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.646 0.064 18531 4796 1 19 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.300 -0.900 18531 4797 1 19 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.338 -0.138 18531 4798 1 19 . 1 1 22 22 ASP H H 22 7.310 7.310 7.478 -0.168 18531 4799 1 19 . 1 1 23 23 ALA N N 23 121.000 121.000 124.502 -3.502 18531 4800 1 19 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.478 -0.138 18531 4801 1 19 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.122 -0.222 18531 4802 1 19 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.564 -1.064 18531 4803 1 19 . 1 1 23 23 ALA H H 23 8.370 8.370 8.804 -0.434 18531 4804 1 19 . 1 1 24 24 GLU N N 24 118.900 118.900 118.555 0.345 18531 4805 1 19 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.898 -0.038 18531 4806 1 19 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.255 0.445 18531 4807 1 19 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.989 0.111 18531 4808 1 19 . 1 1 24 24 GLU H H 24 8.410 8.410 8.366 0.044 18531 4809 1 19 . 1 1 25 25 THR N N 25 117.400 117.400 117.244 0.156 18531 4810 1 19 . 1 1 25 25 THR HA H 25 3.670 3.670 3.791 -0.121 18531 4811 1 19 . 1 1 25 25 THR CA C 25 66.800 66.800 66.379 0.421 18531 4812 1 19 . 1 1 25 25 THR CB C 25 68.000 68.000 68.728 -0.728 18531 4813 1 19 . 1 1 25 25 THR H H 25 8.380 8.380 8.506 -0.126 18531 4814 1 19 . 1 1 26 26 ALA N N 26 125.100 125.100 122.767 2.333 18531 4815 1 19 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.776 -0.586 18531 4816 1 19 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.097 0.903 18531 4817 1 19 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.679 -0.379 18531 4818 1 19 . 1 1 26 26 ALA H H 26 7.220 7.220 7.847 -0.627 18531 4819 1 19 . 1 1 27 27 GLU N N 27 117.400 117.400 118.552 -1.152 18531 4820 1 19 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.630 -1.040 18531 4821 1 19 . 1 1 27 27 GLU CA C 27 59.700 59.700 58.908 0.792 18531 4822 1 19 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.349 -0.149 18531 4823 1 19 . 1 1 27 27 GLU H H 27 8.370 8.370 7.868 0.502 18531 4824 1 19 . 1 1 28 28 LYS N N 28 116.300 116.300 118.217 -1.917 18531 4825 1 19 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.959 -0.289 18531 4826 1 19 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.519 1.081 18531 4827 1 19 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.151 0.049 18531 4828 1 19 . 1 1 28 28 LYS H H 28 7.170 7.170 7.361 -0.191 18531 4829 1 19 . 1 1 29 29 ALA N N 29 122.000 122.000 120.892 1.108 18531 4830 1 19 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.064 0.026 18531 4831 1 19 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.368 0.332 18531 4832 1 19 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.110 -0.610 18531 4833 1 19 . 1 1 29 29 ALA H H 29 7.200 7.200 7.045 0.155 18531 4834 1 19 . 1 1 30 30 PHE N N 30 119.600 119.600 116.841 2.759 18531 4835 1 19 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.353 0.427 18531 4836 1 19 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.480 -2.880 18531 4837 1 19 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.397 -0.997 18531 4838 1 19 . 1 1 30 30 PHE H H 30 8.610 8.610 7.480 1.130 18531 4839 1 19 . 1 1 31 31 LYS N N 31 122.800 122.800 118.090 4.710 18531 4840 1 19 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.816 0.274 18531 4841 1 19 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.437 1.263 18531 4842 1 19 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.754 -0.154 18531 4843 1 19 . 1 1 31 31 LYS H H 31 9.030 9.030 7.504 1.526 18531 4844 1 19 . 1 1 32 32 GLN N N 32 119.600 119.600 119.103 0.497 18531 4845 1 19 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.188 -0.158 18531 4846 1 19 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.658 0.042 18531 4847 1 19 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.306 -1.206 18531 4848 1 19 . 1 1 32 32 GLN H H 32 7.510 7.510 7.386 0.124 18531 4849 1 19 . 1 1 33 33 TYR N N 33 120.400 120.400 121.890 -1.490 18531 4850 1 19 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.078 0.172 18531 4851 1 19 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.145 0.655 18531 4852 1 19 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.188 0.512 18531 4853 1 19 . 1 1 33 33 TYR H H 33 8.080 8.080 7.678 0.402 18531 4854 1 19 . 1 1 34 34 ALA N N 34 122.300 122.300 119.602 2.698 18531 4855 1 19 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.753 0.027 18531 4856 1 19 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.383 0.717 18531 4857 1 19 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.280 -0.581 18531 4858 1 19 . 1 1 34 34 ALA H H 34 9.210 9.210 8.042 1.168 18531 4859 1 19 . 1 1 35 35 ASN N N 35 117.700 117.700 117.351 0.349 18531 4860 1 19 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.466 -0.006 18531 4861 1 19 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.746 1.254 18531 4862 1 19 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.263 0.737 18531 4863 1 19 . 1 1 35 35 ASN H H 35 8.390 8.390 8.095 0.295 18531 4864 1 19 . 1 1 36 36 ASP N N 36 121.100 121.100 120.670 0.430 18531 4865 1 19 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531 4866 1 19 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.801 -0.101 18531 4867 1 19 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.107 -1.107 18531 4868 1 19 . 1 1 36 36 ASP H H 36 8.830 8.830 8.642 0.188 18531 4869 1 19 . 1 1 37 37 ASN N N 37 115.200 115.200 115.146 0.054 18531 4870 1 19 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.881 -0.271 18531 4871 1 19 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.616 1.084 18531 4872 1 19 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.778 1.222 18531 4873 1 19 . 1 1 37 37 ASN H H 37 7.390 7.390 7.607 -0.217 18531 4874 1 19 . 1 1 38 38 GLY N N 38 108.200 108.200 108.114 0.086 18531 4875 1 19 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.119 0.281 18531 4876 1 19 . 1 1 38 38 GLY H H 38 7.800 7.800 8.239 -0.439 18531 4877 1 19 . 1 1 39 39 VAL N N 39 120.800 120.800 119.699 1.101 18531 4878 1 19 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.069 0.071 18531 4879 1 19 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.122 -0.422 18531 4880 1 19 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.266 1.034 18531 4881 1 19 . 1 1 39 39 VAL H H 39 8.120 8.120 7.988 0.132 18531 4882 1 19 . 1 1 40 40 ASP N N 40 128.000 128.000 127.818 0.182 18531 4883 1 19 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.784 0.106 18531 4884 1 19 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.907 -0.107 18531 4885 1 19 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.929 -0.829 18531 4886 1 19 . 1 1 40 40 ASP H H 40 8.770 8.770 8.388 0.382 18531 4887 1 19 . 1 1 41 41 GLY N N 41 107.100 107.100 109.432 -2.332 18531 4888 1 19 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.898 0.502 18531 4889 1 19 . 1 1 41 41 GLY H H 41 7.910 7.910 8.015 -0.105 18531 4890 1 19 . 1 1 42 42 VAL N N 42 120.300 120.300 122.048 -1.748 18531 4891 1 19 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.280 0.100 18531 4892 1 19 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.179 0.921 18531 4893 1 19 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.791 0.609 18531 4894 1 19 . 1 1 42 42 VAL H H 42 8.250 8.250 7.577 0.673 18531 4895 1 19 . 1 1 43 43 TRP N N 43 130.700 130.700 129.311 1.389 18531 4896 1 19 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.888 0.472 18531 4897 1 19 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.603 0.997 18531 4898 1 19 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.570 0.630 18531 4899 1 19 . 1 1 43 43 TRP H H 43 9.360 9.360 8.643 0.717 18531 4900 1 19 . 1 1 44 44 THR N N 44 114.500 114.500 118.751 -4.251 18531 4901 1 19 . 1 1 44 44 THR HA H 44 4.830 4.830 4.785 0.045 18531 4902 1 19 . 1 1 44 44 THR CA C 44 60.300 60.300 61.597 -1.297 18531 4903 1 19 . 1 1 44 44 THR CB C 44 72.100 72.100 70.221 1.879 18531 4904 1 19 . 1 1 44 44 THR H H 44 9.400 9.400 8.419 0.981 18531 4905 1 19 . 1 1 45 45 TYR N N 45 120.100 120.100 125.686 -5.586 18531 4906 1 19 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531 4907 1 19 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.297 0.703 18531 4908 1 19 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.922 1.678 18531 4909 1 19 . 1 1 45 45 TYR H H 45 8.580 8.580 8.287 0.293 18531 4910 1 19 . 1 1 46 46 ASP N N 46 128.300 128.300 122.698 5.602 18531 4911 1 19 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531 4912 1 19 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.019 -0.119 18531 4913 1 19 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.801 -0.701 18531 4914 1 19 . 1 1 46 46 ASP H H 46 7.580 7.580 8.316 -0.736 18531 4915 1 19 . 1 1 47 47 ASP N N 47 124.800 124.800 123.976 0.824 18531 4916 1 19 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.466 -0.356 18531 4917 1 19 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.897 -0.397 18531 4918 1 19 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.269 0.831 18531 4919 1 19 . 1 1 47 47 ASP H H 47 8.590 8.590 8.615 -0.025 18531 4920 1 19 . 1 1 48 48 ALA N N 48 119.700 119.700 121.502 -1.802 18531 4921 1 19 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.117 -0.027 18531 4922 1 19 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.432 0.568 18531 4923 1 19 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.666 -0.366 18531 4924 1 19 . 1 1 48 48 ALA H H 48 8.340 8.340 8.048 0.292 18531 4925 1 19 . 1 1 49 49 THR N N 49 103.200 103.200 111.629 -8.429 18531 4926 1 19 . 1 1 49 49 THR HA H 49 4.390 4.390 4.553 -0.163 18531 4927 1 19 . 1 1 49 49 THR CA C 49 60.200 60.200 60.286 -0.086 18531 4928 1 19 . 1 1 49 49 THR CB C 49 70.000 70.000 70.463 -0.463 18531 4929 1 19 . 1 1 49 49 THR H H 49 7.000 7.000 7.766 -0.766 18531 4930 1 19 . 1 1 50 50 LYS N N 50 123.100 123.100 119.042 4.058 18531 4931 1 19 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.899 -0.709 18531 4932 1 19 . 1 1 50 50 LYS CA C 50 56.600 56.600 55.415 1.185 18531 4933 1 19 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.163 -4.562 18531 4934 1 19 . 1 1 50 50 LYS H H 50 7.860 7.860 8.356 -0.496 18531 4935 1 19 . 1 1 51 51 THR N N 51 111.200 111.200 116.405 -5.205 18531 4936 1 19 . 1 1 51 51 THR HA H 51 5.490 5.490 5.253 0.237 18531 4937 1 19 . 1 1 51 51 THR CA C 51 62.300 62.300 60.714 1.587 18531 4938 1 19 . 1 1 51 51 THR CB C 51 72.100 72.100 69.083 3.017 18531 4939 1 19 . 1 1 51 51 THR H H 51 7.390 7.390 7.924 -0.534 18531 4940 1 19 . 1 1 52 52 PHE N N 52 131.000 131.000 130.429 0.571 18531 4941 1 19 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.870 0.760 18531 4942 1 19 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.637 0.663 18531 4943 1 19 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.596 3.003 18531 4944 1 19 . 1 1 52 52 PHE H H 52 10.390 10.390 9.615 0.775 18531 4945 1 19 . 1 1 53 53 THR N N 53 117.400 117.400 121.667 -4.267 18531 4946 1 19 . 1 1 53 53 THR HA H 53 5.270 5.270 4.637 0.633 18531 4947 1 19 . 1 1 53 53 THR CA C 53 61.200 61.200 62.035 -0.835 18531 4948 1 19 . 1 1 53 53 THR CB C 53 71.000 71.000 69.352 1.648 18531 4949 1 19 . 1 1 53 53 THR H H 53 9.180 9.180 8.346 0.834 18531 4950 1 19 . 1 1 54 54 VAL N N 54 123.000 123.000 128.272 -5.272 18531 4951 1 19 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.690 -0.230 18531 4952 1 19 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.080 -0.980 18531 4953 1 19 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.806 -1.506 18531 4954 1 19 . 1 1 54 54 VAL H H 54 8.280 8.280 8.649 -0.369 18531 4955 1 19 . 1 1 55 55 THR N N 55 123.900 123.900 125.380 -1.480 18531 4956 1 19 . 1 1 55 55 THR HA H 55 4.700 4.700 4.577 0.123 18531 4957 1 19 . 1 1 55 55 THR CA C 55 61.200 61.200 61.304 -0.104 18531 4958 1 19 . 1 1 55 55 THR CB C 55 70.700 70.700 69.200 1.500 18531 4959 1 19 . 1 1 55 55 THR H H 55 8.320 8.320 8.139 0.181 18531 4960 1 20 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.895 0.155 18531 4961 1 20 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.816 -0.216 18531 4962 1 20 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.894 -1.194 18531 4963 1 20 . 1 1 2 2 GLN H H 2 8.410 8.410 7.750 0.660 18531 4964 1 20 . 1 1 3 3 TYR N N 3 124.000 124.000 122.374 1.626 18531 4965 1 20 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.085 0.275 18531 4966 1 20 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.768 0.332 18531 4967 1 20 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.959 1.641 18531 4968 1 20 . 1 1 3 3 TYR H H 3 9.070 9.070 8.834 0.236 18531 4969 1 20 . 1 1 4 4 LYS N N 4 122.500 122.500 122.981 -0.481 18531 4970 1 20 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.741 0.479 18531 4971 1 20 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.619 0.381 18531 4972 1 20 . 1 1 4 4 LYS CB C 4 36.000 36.000 32.822 3.178 18531 4973 1 20 . 1 1 4 4 LYS H H 4 9.100 9.100 9.244 -0.144 18531 4974 1 20 . 1 1 5 5 LEU N N 5 126.400 126.400 129.691 -3.291 18531 4975 1 20 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.155 -0.185 18531 4976 1 20 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.981 -1.181 18531 4977 1 20 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.602 -1.002 18531 4978 1 20 . 1 1 5 5 LEU H H 5 8.620 8.620 8.023 0.597 18531 4979 1 20 . 1 1 6 6 VAL N N 6 127.000 127.000 126.687 0.313 18531 4980 1 20 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.892 -0.732 18531 4981 1 20 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.464 1.836 18531 4982 1 20 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.981 -2.281 18531 4983 1 20 . 1 1 6 6 VAL H H 6 9.190 9.190 9.229 -0.039 18531 4984 1 20 . 1 1 7 7 ILE N N 7 125.400 125.400 124.139 1.261 18531 4985 1 20 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.394 -0.304 18531 4986 1 20 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.645 0.055 18531 4987 1 20 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.361 0.639 18531 4988 1 20 . 1 1 7 7 ILE H H 7 8.800 8.800 8.362 0.438 18531 4989 1 20 . 1 1 8 8 ASN N N 8 128.900 128.900 125.777 3.123 18531 4990 1 20 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.944 0.336 18531 4991 1 20 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.841 -2.041 18531 4992 1 20 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.080 0.020 18531 4993 1 20 . 1 1 8 8 ASN H H 8 8.990 8.990 8.075 0.915 18531 4994 1 20 . 1 1 9 9 GLY N N 9 110.200 110.200 107.093 3.107 18531 4995 1 20 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.292 0.408 18531 4996 1 20 . 1 1 9 9 GLY H H 9 7.920 7.920 7.666 0.254 18531 4997 1 20 . 1 1 10 10 LYS N N 10 120.700 120.700 119.154 1.546 18531 4998 1 20 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.237 -0.177 18531 4999 1 20 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.500 0.700 18531 5000 1 20 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.857 0.043 18531 5001 1 20 . 1 1 10 10 LYS H H 10 9.520 9.520 8.534 0.986 18531 5002 1 20 . 1 1 11 11 THR N N 11 108.900 108.900 109.975 -1.075 18531 5003 1 20 . 1 1 11 11 THR HA H 11 4.360 4.360 4.283 0.077 18531 5004 1 20 . 1 1 11 11 THR CA C 11 62.000 62.000 61.788 0.212 18531 5005 1 20 . 1 1 11 11 THR CB C 11 69.800 69.800 69.657 0.143 18531 5006 1 20 . 1 1 11 11 THR H H 11 8.790 8.790 7.958 0.832 18531 5007 1 20 . 1 1 12 12 LEU N N 12 125.700 125.700 124.085 1.615 18531 5008 1 20 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.385 0.055 18531 5009 1 20 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.529 -0.529 18531 5010 1 20 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.887 0.413 18531 5011 1 20 . 1 1 12 12 LEU H H 12 7.580 7.580 7.920 -0.340 18531 5012 1 20 . 1 1 13 13 LYS N N 13 123.500 123.500 124.603 -1.103 18531 5013 1 20 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.184 -0.064 18531 5014 1 20 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.844 -1.944 18531 5015 1 20 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.931 0.869 18531 5016 1 20 . 1 1 13 13 LYS H H 13 8.140 8.140 8.463 -0.323 18531 5017 1 20 . 1 1 14 14 GLY N N 14 109.100 109.100 110.927 -1.827 18531 5018 1 20 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.499 -0.299 18531 5019 1 20 . 1 1 14 14 GLY H H 14 8.340 8.340 8.062 0.278 18531 5020 1 20 . 1 1 15 15 GLU N N 15 118.200 118.200 119.737 -1.537 18531 5021 1 20 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.112 0.488 18531 5022 1 20 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.739 -1.239 18531 5023 1 20 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.144 0.656 18531 5024 1 20 . 1 1 15 15 GLU H H 15 8.390 8.390 8.472 -0.082 18531 5025 1 20 . 1 1 16 16 THR N N 16 115.600 115.600 122.401 -6.801 18531 5026 1 20 . 1 1 16 16 THR HA H 16 4.730 4.730 4.609 0.121 18531 5027 1 20 . 1 1 16 16 THR CA C 16 60.600 60.600 61.903 -1.303 18531 5028 1 20 . 1 1 16 16 THR CB C 16 69.500 69.500 68.731 0.769 18531 5029 1 20 . 1 1 16 16 THR H H 16 8.820 8.820 9.178 -0.358 18531 5030 1 20 . 1 1 17 17 THR N N 17 111.800 111.800 118.847 -7.047 18531 5031 1 20 . 1 1 17 17 THR HA H 17 5.790 5.790 5.235 0.555 18531 5032 1 20 . 1 1 17 17 THR CA C 17 59.800 59.800 60.882 -1.082 18531 5033 1 20 . 1 1 17 17 THR CB C 17 73.100 73.100 70.388 2.712 18531 5034 1 20 . 1 1 17 17 THR H H 17 8.140 8.140 8.501 -0.361 18531 5035 1 20 . 1 1 18 18 THR N N 18 115.100 115.100 115.865 -0.765 18531 5036 1 20 . 1 1 18 18 THR HA H 18 4.640 4.640 4.544 0.096 18531 5037 1 20 . 1 1 18 18 THR CA C 18 61.900 61.900 60.715 1.185 18531 5038 1 20 . 1 1 18 18 THR CB C 18 70.000 70.000 70.123 -0.123 18531 5039 1 20 . 1 1 18 18 THR H H 18 8.930 8.930 8.473 0.457 18531 5040 1 20 . 1 1 19 19 LYS N N 19 124.300 124.300 119.784 4.516 18531 5041 1 20 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.961 0.369 18531 5042 1 20 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.838 0.162 18531 5043 1 20 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.695 -0.895 18531 5044 1 20 . 1 1 19 19 LYS H H 19 7.950 7.950 8.340 -0.390 18531 5045 1 20 . 1 1 20 20 ALA N N 20 124.600 124.600 122.946 1.654 18531 5046 1 20 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.496 0.284 18531 5047 1 20 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.507 -0.607 18531 5048 1 20 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.235 2.565 18531 5049 1 20 . 1 1 20 20 ALA H H 20 9.110 9.110 8.282 0.828 18531 5050 1 20 . 1 1 21 21 VAL N N 21 115.300 115.300 118.854 -3.554 18531 5051 1 20 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.865 0.245 18531 5052 1 20 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.692 -1.392 18531 5053 1 20 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.683 0.517 18531 5054 1 20 . 1 1 21 21 VAL H H 21 8.480 8.480 8.542 -0.062 18531 5055 1 20 . 1 1 22 22 ASP N N 22 115.200 115.200 114.410 0.790 18531 5056 1 20 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.875 -0.165 18531 5057 1 20 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.984 -0.584 18531 5058 1 20 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.505 0.695 18531 5059 1 20 . 1 1 22 22 ASP H H 22 7.310 7.310 7.688 -0.378 18531 5060 1 20 . 1 1 23 23 ALA N N 23 121.000 121.000 122.786 -1.786 18531 5061 1 20 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.605 -0.265 18531 5062 1 20 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.196 -0.296 18531 5063 1 20 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.603 -1.103 18531 5064 1 20 . 1 1 23 23 ALA H H 23 8.370 8.370 8.763 -0.393 18531 5065 1 20 . 1 1 24 24 GLU N N 24 118.900 118.900 117.640 1.260 18531 5066 1 20 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.958 -0.098 18531 5067 1 20 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.084 0.616 18531 5068 1 20 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.058 0.042 18531 5069 1 20 . 1 1 24 24 GLU H H 24 8.410 8.410 8.860 -0.450 18531 5070 1 20 . 1 1 25 25 THR N N 25 117.400 117.400 115.902 1.498 18531 5071 1 20 . 1 1 25 25 THR HA H 25 3.670 3.670 4.050 -0.380 18531 5072 1 20 . 1 1 25 25 THR CA C 25 66.800 66.800 65.785 1.015 18531 5073 1 20 . 1 1 25 25 THR CB C 25 68.000 68.000 68.747 -0.747 18531 5074 1 20 . 1 1 25 25 THR H H 25 8.380 8.380 7.726 0.654 18531 5075 1 20 . 1 1 26 26 ALA N N 26 125.100 125.100 123.666 1.434 18531 5076 1 20 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.510 -0.320 18531 5077 1 20 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.248 0.752 18531 5078 1 20 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.350 -0.050 18531 5079 1 20 . 1 1 26 26 ALA H H 26 7.220 7.220 7.454 -0.234 18531 5080 1 20 . 1 1 27 27 GLU N N 27 117.400 117.400 117.985 -0.585 18531 5081 1 20 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.666 -1.076 18531 5082 1 20 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.302 0.398 18531 5083 1 20 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.371 -0.171 18531 5084 1 20 . 1 1 27 27 GLU H H 27 8.370 8.370 8.363 0.007 18531 5085 1 20 . 1 1 28 28 LYS N N 28 116.300 116.300 119.007 -2.707 18531 5086 1 20 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.006 -0.336 18531 5087 1 20 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.746 0.854 18531 5088 1 20 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.556 -0.356 18531 5089 1 20 . 1 1 28 28 LYS H H 28 7.170 7.170 7.415 -0.245 18531 5090 1 20 . 1 1 29 29 ALA N N 29 122.000 122.000 121.866 0.134 18531 5091 1 20 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.943 0.147 18531 5092 1 20 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.699 0.001 18531 5093 1 20 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.224 -0.725 18531 5094 1 20 . 1 1 29 29 ALA H H 29 7.200 7.200 7.279 -0.079 18531 5095 1 20 . 1 1 30 30 PHE N N 30 119.600 119.600 116.544 3.056 18531 5096 1 20 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.190 0.590 18531 5097 1 20 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.937 -3.337 18531 5098 1 20 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.293 -0.893 18531 5099 1 20 . 1 1 30 30 PHE H H 30 8.610 8.610 8.204 0.406 18531 5100 1 20 . 1 1 31 31 LYS N N 31 122.800 122.800 117.166 5.634 18531 5101 1 20 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.220 -0.130 18531 5102 1 20 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.142 1.558 18531 5103 1 20 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.989 -0.389 18531 5104 1 20 . 1 1 31 31 LYS H H 31 9.030 9.030 7.505 1.525 18531 5105 1 20 . 1 1 32 32 GLN N N 32 119.600 119.600 119.471 0.129 18531 5106 1 20 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.171 -0.141 18531 5107 1 20 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.715 -0.015 18531 5108 1 20 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.872 -0.772 18531 5109 1 20 . 1 1 32 32 GLN H H 32 7.510 7.510 7.422 0.088 18531 5110 1 20 . 1 1 33 33 TYR N N 33 120.400 120.400 121.896 -1.496 18531 5111 1 20 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.004 0.246 18531 5112 1 20 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.763 0.037 18531 5113 1 20 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.391 0.310 18531 5114 1 20 . 1 1 33 33 TYR H H 33 8.080 8.080 7.717 0.363 18531 5115 1 20 . 1 1 34 34 ALA N N 34 122.300 122.300 119.422 2.878 18531 5116 1 20 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.833 -0.053 18531 5117 1 20 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.672 0.428 18531 5118 1 20 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.371 -0.671 18531 5119 1 20 . 1 1 34 34 ALA H H 34 9.210 9.210 8.107 1.103 18531 5120 1 20 . 1 1 35 35 ASN N N 35 117.700 117.700 117.300 0.400 18531 5121 1 20 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.452 0.008 18531 5122 1 20 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.115 0.885 18531 5123 1 20 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.050 0.950 18531 5124 1 20 . 1 1 35 35 ASN H H 35 8.390 8.390 8.073 0.317 18531 5125 1 20 . 1 1 36 36 ASP N N 36 121.100 121.100 119.385 1.715 18531 5126 1 20 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.447 -0.087 18531 5127 1 20 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.600 0.100 18531 5128 1 20 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.765 -0.765 18531 5129 1 20 . 1 1 36 36 ASP H H 36 8.830 8.830 8.554 0.276 18531 5130 1 20 . 1 1 37 37 ASN N N 37 115.200 115.200 114.176 1.024 18531 5131 1 20 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.735 -0.125 18531 5132 1 20 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.894 0.806 18531 5133 1 20 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.393 0.607 18531 5134 1 20 . 1 1 37 37 ASN H H 37 7.390 7.390 7.624 -0.234 18531 5135 1 20 . 1 1 38 38 GLY N N 38 108.200 108.200 108.997 -0.797 18531 5136 1 20 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.645 0.755 18531 5137 1 20 . 1 1 38 38 GLY H H 38 7.800 7.800 8.167 -0.367 18531 5138 1 20 . 1 1 39 39 VAL N N 39 120.800 120.800 119.657 1.143 18531 5139 1 20 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.469 -0.329 18531 5140 1 20 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.778 0.922 18531 5141 1 20 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.896 1.404 18531 5142 1 20 . 1 1 39 39 VAL H H 39 8.120 8.120 8.041 0.079 18531 5143 1 20 . 1 1 40 40 ASP N N 40 128.000 128.000 126.696 1.304 18531 5144 1 20 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.743 0.147 18531 5145 1 20 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.465 0.335 18531 5146 1 20 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.231 -1.131 18531 5147 1 20 . 1 1 40 40 ASP H H 40 8.770 8.770 8.049 0.721 18531 5148 1 20 . 1 1 41 41 GLY N N 41 107.100 107.100 107.565 -0.465 18531 5149 1 20 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.997 0.403 18531 5150 1 20 . 1 1 41 41 GLY H H 41 7.910 7.910 7.878 0.032 18531 5151 1 20 . 1 1 42 42 VAL N N 42 120.300 120.300 122.249 -1.949 18531 5152 1 20 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.178 0.202 18531 5153 1 20 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.767 0.333 18531 5154 1 20 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.694 0.706 18531 5155 1 20 . 1 1 42 42 VAL H H 42 8.250 8.250 7.699 0.551 18531 5156 1 20 . 1 1 43 43 TRP N N 43 130.700 130.700 129.532 1.168 18531 5157 1 20 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.835 0.525 18531 5158 1 20 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.721 0.879 18531 5159 1 20 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.366 -0.166 18531 5160 1 20 . 1 1 43 43 TRP H H 43 9.360 9.360 8.671 0.689 18531 5161 1 20 . 1 1 44 44 THR N N 44 114.500 114.500 117.152 -2.652 18531 5162 1 20 . 1 1 44 44 THR HA H 44 4.830 4.830 4.868 -0.038 18531 5163 1 20 . 1 1 44 44 THR CA C 44 60.300 60.300 61.079 -0.779 18531 5164 1 20 . 1 1 44 44 THR CB C 44 72.100 72.100 71.112 0.988 18531 5165 1 20 . 1 1 44 44 THR H H 44 9.400 9.400 9.086 0.314 18531 5166 1 20 . 1 1 45 45 TYR N N 45 120.100 120.100 120.365 -0.265 18531 5167 1 20 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.746 0.224 18531 5168 1 20 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.082 -0.082 18531 5169 1 20 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.980 1.620 18531 5170 1 20 . 1 1 45 45 TYR H H 45 8.580 8.580 8.129 0.451 18531 5171 1 20 . 1 1 46 46 ASP N N 46 128.300 128.300 121.930 6.370 18531 5172 1 20 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.450 0.130 18531 5173 1 20 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.846 0.054 18531 5174 1 20 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.190 -1.090 18531 5175 1 20 . 1 1 46 46 ASP H H 46 7.580 7.580 8.388 -0.808 18531 5176 1 20 . 1 1 47 47 ASP N N 47 124.800 124.800 123.995 0.805 18531 5177 1 20 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.396 -0.286 18531 5178 1 20 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.447 0.053 18531 5179 1 20 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.106 0.994 18531 5180 1 20 . 1 1 47 47 ASP H H 47 8.590 8.590 8.396 0.194 18531 5181 1 20 . 1 1 48 48 ALA N N 48 119.700 119.700 120.762 -1.062 18531 5182 1 20 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.075 0.015 18531 5183 1 20 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.166 0.834 18531 5184 1 20 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.106 -0.806 18531 5185 1 20 . 1 1 48 48 ALA H H 48 8.340 8.340 7.959 0.381 18531 5186 1 20 . 1 1 49 49 THR N N 49 103.200 103.200 110.626 -7.426 18531 5187 1 20 . 1 1 49 49 THR HA H 49 4.390 4.390 4.521 -0.131 18531 5188 1 20 . 1 1 49 49 THR CA C 49 60.200 60.200 60.306 -0.106 18531 5189 1 20 . 1 1 49 49 THR CB C 49 70.000 70.000 70.732 -0.732 18531 5190 1 20 . 1 1 49 49 THR H H 49 7.000 7.000 7.455 -0.455 18531 5191 1 20 . 1 1 50 50 LYS N N 50 123.100 123.100 118.480 4.620 18531 5192 1 20 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.899 -0.709 18531 5193 1 20 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.098 0.502 18531 5194 1 20 . 1 1 50 50 LYS CB C 50 28.600 28.600 33.612 -5.012 18531 5195 1 20 . 1 1 50 50 LYS H H 50 7.860 7.860 8.398 -0.538 18531 5196 1 20 . 1 1 51 51 THR N N 51 111.200 111.200 115.953 -4.753 18531 5197 1 20 . 1 1 51 51 THR HA H 51 5.490 5.490 5.087 0.403 18531 5198 1 20 . 1 1 51 51 THR CA C 51 62.300 62.300 61.010 1.290 18531 5199 1 20 . 1 1 51 51 THR CB C 51 72.100 72.100 70.197 1.903 18531 5200 1 20 . 1 1 51 51 THR H H 51 7.390 7.390 7.959 -0.569 18531 5201 1 20 . 1 1 52 52 PHE N N 52 131.000 131.000 125.696 5.304 18531 5202 1 20 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.342 0.288 18531 5203 1 20 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.892 1.408 18531 5204 1 20 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.796 -0.196 18531 5205 1 20 . 1 1 52 52 PHE H H 52 10.390 10.390 9.342 1.048 18531 5206 1 20 . 1 1 53 53 THR N N 53 117.400 117.400 118.680 -1.280 18531 5207 1 20 . 1 1 53 53 THR HA H 53 5.270 5.270 5.355 -0.085 18531 5208 1 20 . 1 1 53 53 THR CA C 53 61.200 61.200 61.427 -0.227 18531 5209 1 20 . 1 1 53 53 THR CB C 53 71.000 71.000 71.754 -0.754 18531 5210 1 20 . 1 1 53 53 THR H H 53 9.180 9.180 8.587 0.593 18531 5211 1 20 . 1 1 54 54 VAL N N 54 123.000 123.000 124.524 -1.524 18531 5212 1 20 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.472 -0.012 18531 5213 1 20 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.674 -1.574 18531 5214 1 20 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.929 -1.629 18531 5215 1 20 . 1 1 54 54 VAL H H 54 8.280 8.280 8.027 0.253 18531 5216 1 20 . 1 1 55 55 THR N N 55 123.900 123.900 123.255 0.645 18531 5217 1 20 . 1 1 55 55 THR HA H 55 4.700 4.700 4.577 0.123 18531 5218 1 20 . 1 1 55 55 THR CA C 55 61.200 61.200 59.978 1.222 18531 5219 1 20 . 1 1 55 55 THR CB C 55 70.700 70.700 70.339 0.361 18531 5220 1 20 . 1 1 55 55 THR H H 55 8.320 8.320 8.364 -0.044 18531 5221 1 21 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.886 0.164 18531 5222 1 21 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.345 1.255 18531 5223 1 21 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.415 0.285 18531 5224 1 21 . 1 1 2 2 GLN H H 2 8.410 8.410 8.063 0.347 18531 5225 1 21 . 1 1 3 3 TYR N N 3 124.000 124.000 122.527 1.473 18531 5226 1 21 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.217 0.143 18531 5227 1 21 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.469 -0.370 18531 5228 1 21 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.411 3.189 18531 5229 1 21 . 1 1 3 3 TYR H H 3 9.070 9.070 8.160 0.910 18531 5230 1 21 . 1 1 4 4 LYS N N 4 122.500 122.500 121.480 1.020 18531 5231 1 21 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.858 0.362 18531 5232 1 21 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.837 0.163 18531 5233 1 21 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.235 0.765 18531 5234 1 21 . 1 1 4 4 LYS H H 4 9.100 9.100 9.115 -0.015 18531 5235 1 21 . 1 1 5 5 LEU N N 5 126.400 126.400 127.110 -0.710 18531 5236 1 21 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.131 -0.161 18531 5237 1 21 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.388 -0.588 18531 5238 1 21 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.460 -3.860 18531 5239 1 21 . 1 1 5 5 LEU H H 5 8.620 8.620 8.022 0.598 18531 5240 1 21 . 1 1 6 6 VAL N N 6 127.000 127.000 124.874 2.126 18531 5241 1 21 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.341 -0.181 18531 5242 1 21 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.517 0.783 18531 5243 1 21 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.967 -1.267 18531 5244 1 21 . 1 1 6 6 VAL H H 6 9.190 9.190 7.838 1.352 18531 5245 1 21 . 1 1 7 7 ILE N N 7 125.400 125.400 128.611 -3.211 18531 5246 1 21 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.180 -0.090 18531 5247 1 21 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.894 -0.194 18531 5248 1 21 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.636 0.364 18531 5249 1 21 . 1 1 7 7 ILE H H 7 8.800 8.800 8.418 0.382 18531 5250 1 21 . 1 1 8 8 ASN N N 8 128.900 128.900 127.528 1.372 18531 5251 1 21 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.001 0.279 18531 5252 1 21 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.325 -1.525 18531 5253 1 21 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.689 -0.589 18531 5254 1 21 . 1 1 8 8 ASN H H 8 8.990 8.990 8.058 0.932 18531 5255 1 21 . 1 1 9 9 GLY N N 9 110.200 110.200 107.092 3.108 18531 5256 1 21 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.318 0.382 18531 5257 1 21 . 1 1 9 9 GLY H H 9 7.920 7.920 8.191 -0.271 18531 5258 1 21 . 1 1 10 10 LYS N N 10 120.700 120.700 122.128 -1.428 18531 5259 1 21 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.004 0.056 18531 5260 1 21 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.609 0.591 18531 5261 1 21 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.522 0.378 18531 5262 1 21 . 1 1 10 10 LYS H H 10 9.520 9.520 8.672 0.848 18531 5263 1 21 . 1 1 11 11 THR N N 11 108.900 108.900 108.670 0.230 18531 5264 1 21 . 1 1 11 11 THR HA H 11 4.360 4.360 4.284 0.076 18531 5265 1 21 . 1 1 11 11 THR CA C 11 62.000 62.000 62.659 -0.659 18531 5266 1 21 . 1 1 11 11 THR CB C 11 69.800 69.800 69.263 0.537 18531 5267 1 21 . 1 1 11 11 THR H H 11 8.790 8.790 7.490 1.300 18531 5268 1 21 . 1 1 12 12 LEU N N 12 125.700 125.700 123.784 1.916 18531 5269 1 21 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.603 -0.163 18531 5270 1 21 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.045 0.955 18531 5271 1 21 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.571 -0.271 18531 5272 1 21 . 1 1 12 12 LEU H H 12 7.580 7.580 7.766 -0.186 18531 5273 1 21 . 1 1 13 13 LYS N N 13 123.500 123.500 125.229 -1.729 18531 5274 1 21 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.859 0.261 18531 5275 1 21 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.365 -1.465 18531 5276 1 21 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.301 -0.501 18531 5277 1 21 . 1 1 13 13 LYS H H 13 8.140 8.140 8.523 -0.383 18531 5278 1 21 . 1 1 14 14 GLY N N 14 109.100 109.100 111.497 -2.397 18531 5279 1 21 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.904 -0.704 18531 5280 1 21 . 1 1 14 14 GLY H H 14 8.340 8.340 8.679 -0.339 18531 5281 1 21 . 1 1 15 15 GLU N N 15 118.200 118.200 118.965 -0.765 18531 5282 1 21 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.643 0.957 18531 5283 1 21 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.653 -1.153 18531 5284 1 21 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.127 0.673 18531 5285 1 21 . 1 1 15 15 GLU H H 15 8.390 8.390 8.268 0.122 18531 5286 1 21 . 1 1 16 16 THR N N 16 115.600 115.600 114.808 0.792 18531 5287 1 21 . 1 1 16 16 THR HA H 16 4.730 4.730 4.606 0.124 18531 5288 1 21 . 1 1 16 16 THR CA C 16 60.600 60.600 61.761 -1.161 18531 5289 1 21 . 1 1 16 16 THR CB C 16 69.500 69.500 69.397 0.103 18531 5290 1 21 . 1 1 16 16 THR H H 16 8.820 8.820 8.366 0.454 18531 5291 1 21 . 1 1 17 17 THR N N 17 111.800 111.800 115.220 -3.420 18531 5292 1 21 . 1 1 17 17 THR HA H 17 5.790 5.790 5.196 0.594 18531 5293 1 21 . 1 1 17 17 THR CA C 17 59.800 59.800 60.857 -1.057 18531 5294 1 21 . 1 1 17 17 THR CB C 17 73.100 73.100 72.062 1.038 18531 5295 1 21 . 1 1 17 17 THR H H 17 8.140 8.140 8.298 -0.158 18531 5296 1 21 . 1 1 18 18 THR N N 18 115.100 115.100 113.712 1.388 18531 5297 1 21 . 1 1 18 18 THR HA H 18 4.640 4.640 4.538 0.102 18531 5298 1 21 . 1 1 18 18 THR CA C 18 61.900 61.900 61.419 0.481 18531 5299 1 21 . 1 1 18 18 THR CB C 18 70.000 70.000 69.084 0.916 18531 5300 1 21 . 1 1 18 18 THR H H 18 8.930 8.930 8.475 0.455 18531 5301 1 21 . 1 1 19 19 LYS N N 19 124.300 124.300 120.202 4.098 18531 5302 1 21 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.894 0.436 18531 5303 1 21 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.839 -0.839 18531 5304 1 21 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.712 -0.912 18531 5305 1 21 . 1 1 19 19 LYS H H 19 7.950 7.950 8.235 -0.285 18531 5306 1 21 . 1 1 20 20 ALA N N 20 124.600 124.600 127.175 -2.575 18531 5307 1 21 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.786 -0.006 18531 5308 1 21 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.690 -0.789 18531 5309 1 21 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.557 2.243 18531 5310 1 21 . 1 1 20 20 ALA H H 20 9.110 9.110 9.097 0.013 18531 5311 1 21 . 1 1 21 21 VAL N N 21 115.300 115.300 120.036 -4.736 18531 5312 1 21 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.917 0.193 18531 5313 1 21 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.105 -1.805 18531 5314 1 21 . 1 1 21 21 VAL CB C 21 32.200 32.200 30.878 1.322 18531 5315 1 21 . 1 1 21 21 VAL H H 21 8.480 8.480 8.679 -0.199 18531 5316 1 21 . 1 1 22 22 ASP N N 22 115.200 115.200 113.137 2.063 18531 5317 1 21 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.893 -0.183 18531 5318 1 21 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.478 -0.078 18531 5319 1 21 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.702 0.498 18531 5320 1 21 . 1 1 22 22 ASP H H 22 7.310 7.310 7.709 -0.399 18531 5321 1 21 . 1 1 23 23 ALA N N 23 121.000 121.000 121.469 -0.469 18531 5322 1 21 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.733 -0.393 18531 5323 1 21 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.903 -0.003 18531 5324 1 21 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.583 -1.083 18531 5325 1 21 . 1 1 23 23 ALA H H 23 8.370 8.370 8.752 -0.382 18531 5326 1 21 . 1 1 24 24 GLU N N 24 118.900 118.900 118.967 -0.067 18531 5327 1 21 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.870 -0.010 18531 5328 1 21 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.984 0.716 18531 5329 1 21 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.241 0.859 18531 5330 1 21 . 1 1 24 24 GLU H H 24 8.410 8.410 8.464 -0.054 18531 5331 1 21 . 1 1 25 25 THR N N 25 117.400 117.400 115.965 1.435 18531 5332 1 21 . 1 1 25 25 THR HA H 25 3.670 3.670 4.044 -0.374 18531 5333 1 21 . 1 1 25 25 THR CA C 25 66.800 66.800 66.136 0.664 18531 5334 1 21 . 1 1 25 25 THR CB C 25 68.000 68.000 68.409 -0.409 18531 5335 1 21 . 1 1 25 25 THR H H 25 8.380 8.380 8.780 -0.400 18531 5336 1 21 . 1 1 26 26 ALA N N 26 125.100 125.100 123.854 1.246 18531 5337 1 21 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.891 -0.701 18531 5338 1 21 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.182 0.818 18531 5339 1 21 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.730 -0.430 18531 5340 1 21 . 1 1 26 26 ALA H H 26 7.220 7.220 7.237 -0.017 18531 5341 1 21 . 1 1 27 27 GLU N N 27 117.400 117.400 118.493 -1.093 18531 5342 1 21 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.755 -1.165 18531 5343 1 21 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.006 -0.306 18531 5344 1 21 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.381 -0.181 18531 5345 1 21 . 1 1 27 27 GLU H H 27 8.370 8.370 8.209 0.161 18531 5346 1 21 . 1 1 28 28 LYS N N 28 116.300 116.300 118.868 -2.568 18531 5347 1 21 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.971 -0.301 18531 5348 1 21 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.047 0.552 18531 5349 1 21 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.803 0.397 18531 5350 1 21 . 1 1 28 28 LYS H H 28 7.170 7.170 7.509 -0.339 18531 5351 1 21 . 1 1 29 29 ALA N N 29 122.000 122.000 122.871 -0.871 18531 5352 1 21 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.030 0.060 18531 5353 1 21 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.741 -0.041 18531 5354 1 21 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.200 -0.699 18531 5355 1 21 . 1 1 29 29 ALA H H 29 7.200 7.200 7.276 -0.076 18531 5356 1 21 . 1 1 30 30 PHE N N 30 119.600 119.600 117.502 2.098 18531 5357 1 21 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.131 0.649 18531 5358 1 21 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.022 -4.422 18531 5359 1 21 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.354 -0.954 18531 5360 1 21 . 1 1 30 30 PHE H H 30 8.610 8.610 8.411 0.199 18531 5361 1 21 . 1 1 31 31 LYS N N 31 122.800 122.800 117.719 5.081 18531 5362 1 21 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.551 0.539 18531 5363 1 21 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.263 1.437 18531 5364 1 21 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.705 -0.105 18531 5365 1 21 . 1 1 31 31 LYS H H 31 9.030 9.030 7.728 1.302 18531 5366 1 21 . 1 1 32 32 GLN N N 32 119.600 119.600 119.911 -0.311 18531 5367 1 21 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.967 0.063 18531 5368 1 21 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.270 -0.570 18531 5369 1 21 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.337 -0.237 18531 5370 1 21 . 1 1 32 32 GLN H H 32 7.510 7.510 7.972 -0.462 18531 5371 1 21 . 1 1 33 33 TYR N N 33 120.400 120.400 119.167 1.233 18531 5372 1 21 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.372 -0.122 18531 5373 1 21 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.673 1.127 18531 5374 1 21 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.256 0.444 18531 5375 1 21 . 1 1 33 33 TYR H H 33 8.080 8.080 7.975 0.105 18531 5376 1 21 . 1 1 34 34 ALA N N 34 122.300 122.300 122.711 -0.411 18531 5377 1 21 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.083 -0.303 18531 5378 1 21 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.261 0.839 18531 5379 1 21 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.622 -0.922 18531 5380 1 21 . 1 1 34 34 ALA H H 34 9.210 9.210 8.092 1.118 18531 5381 1 21 . 1 1 35 35 ASN N N 35 117.700 117.700 117.240 0.460 18531 5382 1 21 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.474 -0.014 18531 5383 1 21 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.925 1.075 18531 5384 1 21 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.049 0.951 18531 5385 1 21 . 1 1 35 35 ASN H H 35 8.390 8.390 7.922 0.468 18531 5386 1 21 . 1 1 36 36 ASP N N 36 121.100 121.100 120.603 0.497 18531 5387 1 21 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.380 -0.020 18531 5388 1 21 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.869 -0.169 18531 5389 1 21 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.157 -0.157 18531 5390 1 21 . 1 1 36 36 ASP H H 36 8.830 8.830 8.211 0.619 18531 5391 1 21 . 1 1 37 37 ASN N N 37 115.200 115.200 114.111 1.089 18531 5392 1 21 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.722 -0.112 18531 5393 1 21 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.053 0.647 18531 5394 1 21 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.230 0.770 18531 5395 1 21 . 1 1 37 37 ASN H H 37 7.390 7.390 7.515 -0.125 18531 5396 1 21 . 1 1 38 38 GLY N N 38 108.200 108.200 108.711 -0.511 18531 5397 1 21 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.123 0.277 18531 5398 1 21 . 1 1 38 38 GLY H H 38 7.800 7.800 8.135 -0.335 18531 5399 1 21 . 1 1 39 39 VAL N N 39 120.800 120.800 120.969 -0.169 18531 5400 1 21 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.741 -0.601 18531 5401 1 21 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.746 -0.046 18531 5402 1 21 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.148 1.152 18531 5403 1 21 . 1 1 39 39 VAL H H 39 8.120 8.120 7.997 0.123 18531 5404 1 21 . 1 1 40 40 ASP N N 40 128.000 128.000 127.573 0.427 18531 5405 1 21 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.165 -0.275 18531 5406 1 21 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.427 0.373 18531 5407 1 21 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.905 -1.805 18531 5408 1 21 . 1 1 40 40 ASP H H 40 8.770 8.770 8.067 0.703 18531 5409 1 21 . 1 1 41 41 GLY N N 41 107.100 107.100 108.628 -1.528 18531 5410 1 21 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.272 0.128 18531 5411 1 21 . 1 1 41 41 GLY H H 41 7.910 7.910 8.343 -0.433 18531 5412 1 21 . 1 1 42 42 VAL N N 42 120.300 120.300 123.378 -3.078 18531 5413 1 21 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.372 0.008 18531 5414 1 21 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.255 -0.155 18531 5415 1 21 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.782 0.618 18531 5416 1 21 . 1 1 42 42 VAL H H 42 8.250 8.250 8.236 0.014 18531 5417 1 21 . 1 1 43 43 TRP N N 43 130.700 130.700 129.163 1.537 18531 5418 1 21 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.723 -0.363 18531 5419 1 21 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.042 1.558 18531 5420 1 21 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.974 -1.774 18531 5421 1 21 . 1 1 43 43 TRP H H 43 9.360 9.360 8.737 0.623 18531 5422 1 21 . 1 1 44 44 THR N N 44 114.500 114.500 112.695 1.805 18531 5423 1 21 . 1 1 44 44 THR HA H 44 4.830 4.830 4.730 0.100 18531 5424 1 21 . 1 1 44 44 THR CA C 44 60.300 60.300 60.591 -0.291 18531 5425 1 21 . 1 1 44 44 THR CB C 44 72.100 72.100 71.584 0.516 18531 5426 1 21 . 1 1 44 44 THR H H 44 9.400 9.400 8.831 0.569 18531 5427 1 21 . 1 1 45 45 TYR N N 45 120.100 120.100 122.925 -2.825 18531 5428 1 21 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.274 0.696 18531 5429 1 21 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.059 -0.059 18531 5430 1 21 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.201 0.399 18531 5431 1 21 . 1 1 45 45 TYR H H 45 8.580 8.580 8.468 0.112 18531 5432 1 21 . 1 1 46 46 ASP N N 46 128.300 128.300 128.946 -0.646 18531 5433 1 21 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.507 0.073 18531 5434 1 21 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.097 -0.197 18531 5435 1 21 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.740 1.360 18531 5436 1 21 . 1 1 46 46 ASP H H 46 7.580 7.580 7.816 -0.236 18531 5437 1 21 . 1 1 47 47 ASP N N 47 124.800 124.800 125.202 -0.402 18531 5438 1 21 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.345 -0.235 18531 5439 1 21 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.745 -0.245 18531 5440 1 21 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.354 1.746 18531 5441 1 21 . 1 1 47 47 ASP H H 47 8.590 8.590 8.138 0.452 18531 5442 1 21 . 1 1 48 48 ALA N N 48 119.700 119.700 123.009 -3.309 18531 5443 1 21 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.083 0.007 18531 5444 1 21 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.660 0.341 18531 5445 1 21 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.833 -0.533 18531 5446 1 21 . 1 1 48 48 ALA H H 48 8.340 8.340 8.154 0.186 18531 5447 1 21 . 1 1 49 49 THR N N 49 103.200 103.200 108.076 -4.876 18531 5448 1 21 . 1 1 49 49 THR HA H 49 4.390 4.390 4.557 -0.167 18531 5449 1 21 . 1 1 49 49 THR CA C 49 60.200 60.200 60.930 -0.730 18531 5450 1 21 . 1 1 49 49 THR CB C 49 70.000 70.000 69.305 0.695 18531 5451 1 21 . 1 1 49 49 THR H H 49 7.000 7.000 7.720 -0.720 18531 5452 1 21 . 1 1 50 50 LYS N N 50 123.100 123.100 119.949 3.151 18531 5453 1 21 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.978 0.212 18531 5454 1 21 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.662 -1.062 18531 5455 1 21 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.252 -0.652 18531 5456 1 21 . 1 1 50 50 LYS H H 50 7.860 7.860 7.782 0.078 18531 5457 1 21 . 1 1 51 51 THR N N 51 111.200 111.200 114.959 -3.759 18531 5458 1 21 . 1 1 51 51 THR HA H 51 5.490 5.490 5.426 0.064 18531 5459 1 21 . 1 1 51 51 THR CA C 51 62.300 62.300 61.638 0.662 18531 5460 1 21 . 1 1 51 51 THR CB C 51 72.100 72.100 71.509 0.591 18531 5461 1 21 . 1 1 51 51 THR H H 51 7.390 7.390 7.366 0.024 18531 5462 1 21 . 1 1 52 52 PHE N N 52 131.000 131.000 125.971 5.029 18531 5463 1 21 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.230 0.400 18531 5464 1 21 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.936 1.364 18531 5465 1 21 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.391 0.209 18531 5466 1 21 . 1 1 52 52 PHE H H 52 10.390 10.390 9.428 0.962 18531 5467 1 21 . 1 1 53 53 THR N N 53 117.400 117.400 116.550 0.850 18531 5468 1 21 . 1 1 53 53 THR HA H 53 5.270 5.270 4.447 0.823 18531 5469 1 21 . 1 1 53 53 THR CA C 53 61.200 61.200 61.904 -0.704 18531 5470 1 21 . 1 1 53 53 THR CB C 53 71.000 71.000 70.893 0.107 18531 5471 1 21 . 1 1 53 53 THR H H 53 9.180 9.180 8.416 0.764 18531 5472 1 21 . 1 1 54 54 VAL N N 54 123.000 123.000 127.071 -4.071 18531 5473 1 21 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.710 0.750 18531 5474 1 21 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.339 -1.239 18531 5475 1 21 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.854 -0.554 18531 5476 1 21 . 1 1 54 54 VAL H H 54 8.280 8.280 7.681 0.599 18531 5477 1 21 . 1 1 55 55 THR N N 55 123.900 123.900 122.870 1.030 18531 5478 1 21 . 1 1 55 55 THR HA H 55 4.700 4.700 4.583 0.117 18531 5479 1 21 . 1 1 55 55 THR CA C 55 61.200 61.200 59.368 1.832 18531 5480 1 21 . 1 1 55 55 THR CB C 55 70.700 70.700 70.581 0.119 18531 5481 1 21 . 1 1 55 55 THR H H 55 8.320 8.320 7.823 0.497 18531 5482 1 22 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.363 0.687 18531 5483 1 22 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.856 -0.256 18531 5484 1 22 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.143 -1.443 18531 5485 1 22 . 1 1 2 2 GLN H H 2 8.410 8.410 8.038 0.372 18531 5486 1 22 . 1 1 3 3 TYR N N 3 124.000 124.000 124.735 -0.735 18531 5487 1 22 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.188 0.172 18531 5488 1 22 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.850 0.250 18531 5489 1 22 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.514 3.086 18531 5490 1 22 . 1 1 3 3 TYR H H 3 9.070 9.070 9.430 -0.360 18531 5491 1 22 . 1 1 4 4 LYS N N 4 122.500 122.500 123.640 -1.140 18531 5492 1 22 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.052 0.168 18531 5493 1 22 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.640 0.360 18531 5494 1 22 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.099 -0.099 18531 5495 1 22 . 1 1 4 4 LYS H H 4 9.100 9.100 8.760 0.340 18531 5496 1 22 . 1 1 5 5 LEU N N 5 126.400 126.400 125.669 0.731 18531 5497 1 22 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.034 -0.064 18531 5498 1 22 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.674 -0.874 18531 5499 1 22 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.935 -4.335 18531 5500 1 22 . 1 1 5 5 LEU H H 5 8.620 8.620 8.921 -0.301 18531 5501 1 22 . 1 1 6 6 VAL N N 6 127.000 127.000 124.163 2.837 18531 5502 1 22 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.313 -0.153 18531 5503 1 22 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.469 0.831 18531 5504 1 22 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.697 -0.997 18531 5505 1 22 . 1 1 6 6 VAL H H 6 9.190 9.190 8.148 1.042 18531 5506 1 22 . 1 1 7 7 ILE N N 7 125.400 125.400 129.049 -3.649 18531 5507 1 22 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.100 -0.010 18531 5508 1 22 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.261 -0.561 18531 5509 1 22 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.822 1.178 18531 5510 1 22 . 1 1 7 7 ILE H H 7 8.800 8.800 8.615 0.185 18531 5511 1 22 . 1 1 8 8 ASN N N 8 128.900 128.900 127.567 1.333 18531 5512 1 22 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.990 0.290 18531 5513 1 22 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.341 -1.541 18531 5514 1 22 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.477 -0.377 18531 5515 1 22 . 1 1 8 8 ASN H H 8 8.990 8.990 8.087 0.903 18531 5516 1 22 . 1 1 9 9 GLY N N 9 110.200 110.200 108.116 2.084 18531 5517 1 22 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.309 0.391 18531 5518 1 22 . 1 1 9 9 GLY H H 9 7.920 7.920 8.034 -0.114 18531 5519 1 22 . 1 1 10 10 LYS N N 10 120.700 120.700 121.774 -1.074 18531 5520 1 22 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.035 0.025 18531 5521 1 22 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.800 0.400 18531 5522 1 22 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.427 0.473 18531 5523 1 22 . 1 1 10 10 LYS H H 10 9.520 9.520 8.664 0.856 18531 5524 1 22 . 1 1 11 11 THR N N 11 108.900 108.900 108.068 0.832 18531 5525 1 22 . 1 1 11 11 THR HA H 11 4.360 4.360 4.333 0.027 18531 5526 1 22 . 1 1 11 11 THR CA C 11 62.000 62.000 62.341 -0.341 18531 5527 1 22 . 1 1 11 11 THR CB C 11 69.800 69.800 69.263 0.537 18531 5528 1 22 . 1 1 11 11 THR H H 11 8.790 8.790 7.514 1.276 18531 5529 1 22 . 1 1 12 12 LEU N N 12 125.700 125.700 123.772 1.928 18531 5530 1 22 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.652 -0.212 18531 5531 1 22 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.010 0.990 18531 5532 1 22 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.379 -0.079 18531 5533 1 22 . 1 1 12 12 LEU H H 12 7.580 7.580 7.750 -0.170 18531 5534 1 22 . 1 1 13 13 LYS N N 13 123.500 123.500 125.746 -2.246 18531 5535 1 22 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.261 -0.141 18531 5536 1 22 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.169 -1.269 18531 5537 1 22 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.482 -0.682 18531 5538 1 22 . 1 1 13 13 LYS H H 13 8.140 8.140 8.505 -0.365 18531 5539 1 22 . 1 1 14 14 GLY N N 14 109.100 109.100 111.084 -1.984 18531 5540 1 22 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.767 -0.567 18531 5541 1 22 . 1 1 14 14 GLY H H 14 8.340 8.340 8.948 -0.608 18531 5542 1 22 . 1 1 15 15 GLU N N 15 118.200 118.200 119.048 -0.848 18531 5543 1 22 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.907 0.693 18531 5544 1 22 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.453 -0.953 18531 5545 1 22 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.359 0.441 18531 5546 1 22 . 1 1 15 15 GLU H H 15 8.390 8.390 8.471 -0.081 18531 5547 1 22 . 1 1 16 16 THR N N 16 115.600 115.600 113.663 1.937 18531 5548 1 22 . 1 1 16 16 THR HA H 16 4.730 4.730 4.612 0.118 18531 5549 1 22 . 1 1 16 16 THR CA C 16 60.600 60.600 61.901 -1.301 18531 5550 1 22 . 1 1 16 16 THR CB C 16 69.500 69.500 70.069 -0.569 18531 5551 1 22 . 1 1 16 16 THR H H 16 8.820 8.820 8.435 0.385 18531 5552 1 22 . 1 1 17 17 THR N N 17 111.800 111.800 115.057 -3.257 18531 5553 1 22 . 1 1 17 17 THR HA H 17 5.790 5.790 5.529 0.261 18531 5554 1 22 . 1 1 17 17 THR CA C 17 59.800 59.800 60.533 -0.733 18531 5555 1 22 . 1 1 17 17 THR CB C 17 73.100 73.100 72.418 0.682 18531 5556 1 22 . 1 1 17 17 THR H H 17 8.140 8.140 8.250 -0.110 18531 5557 1 22 . 1 1 18 18 THR N N 18 115.100 115.100 114.450 0.650 18531 5558 1 22 . 1 1 18 18 THR HA H 18 4.640 4.640 4.646 -0.006 18531 5559 1 22 . 1 1 18 18 THR CA C 18 61.900 61.900 61.596 0.304 18531 5560 1 22 . 1 1 18 18 THR CB C 18 70.000 70.000 71.077 -1.077 18531 5561 1 22 . 1 1 18 18 THR H H 18 8.930 8.930 9.070 -0.140 18531 5562 1 22 . 1 1 19 19 LYS N N 19 124.300 124.300 121.328 2.972 18531 5563 1 22 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.753 0.577 18531 5564 1 22 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.463 -0.463 18531 5565 1 22 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.612 -0.812 18531 5566 1 22 . 1 1 19 19 LYS H H 19 7.950 7.950 8.408 -0.458 18531 5567 1 22 . 1 1 20 20 ALA N N 20 124.600 124.600 126.101 -1.501 18531 5568 1 22 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.755 0.025 18531 5569 1 22 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.456 -0.556 18531 5570 1 22 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.667 2.133 18531 5571 1 22 . 1 1 20 20 ALA H H 20 9.110 9.110 8.511 0.599 18531 5572 1 22 . 1 1 21 21 VAL N N 21 115.300 115.300 118.001 -2.701 18531 5573 1 22 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.904 0.206 18531 5574 1 22 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.314 -1.014 18531 5575 1 22 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.508 0.692 18531 5576 1 22 . 1 1 21 21 VAL H H 21 8.480 8.480 8.797 -0.317 18531 5577 1 22 . 1 1 22 22 ASP N N 22 115.200 115.200 114.078 1.122 18531 5578 1 22 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.906 -0.196 18531 5579 1 22 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.179 0.221 18531 5580 1 22 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.560 -0.360 18531 5581 1 22 . 1 1 22 22 ASP H H 22 7.310 7.310 7.696 -0.386 18531 5582 1 22 . 1 1 23 23 ALA N N 23 121.000 121.000 120.642 0.358 18531 5583 1 22 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.601 -0.261 18531 5584 1 22 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.198 0.702 18531 5585 1 22 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.630 -1.130 18531 5586 1 22 . 1 1 23 23 ALA H H 23 8.370 8.370 8.678 -0.308 18531 5587 1 22 . 1 1 24 24 GLU N N 24 118.900 118.900 120.209 -1.309 18531 5588 1 22 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.020 -0.160 18531 5589 1 22 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.682 1.018 18531 5590 1 22 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.224 -0.123 18531 5591 1 22 . 1 1 24 24 GLU H H 24 8.410 8.410 8.104 0.306 18531 5592 1 22 . 1 1 25 25 THR N N 25 117.400 117.400 116.140 1.260 18531 5593 1 22 . 1 1 25 25 THR HA H 25 3.670 3.670 3.961 -0.291 18531 5594 1 22 . 1 1 25 25 THR CA C 25 66.800 66.800 65.773 1.027 18531 5595 1 22 . 1 1 25 25 THR CB C 25 68.000 68.000 68.856 -0.856 18531 5596 1 22 . 1 1 25 25 THR H H 25 8.380 8.380 8.880 -0.500 18531 5597 1 22 . 1 1 26 26 ALA N N 26 125.100 125.100 122.155 2.945 18531 5598 1 22 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.959 -0.769 18531 5599 1 22 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.365 0.634 18531 5600 1 22 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.046 -0.746 18531 5601 1 22 . 1 1 26 26 ALA H H 26 7.220 7.220 7.447 -0.227 18531 5602 1 22 . 1 1 27 27 GLU N N 27 117.400 117.400 118.327 -0.927 18531 5603 1 22 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.765 -1.175 18531 5604 1 22 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.756 -0.056 18531 5605 1 22 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.322 -0.122 18531 5606 1 22 . 1 1 27 27 GLU H H 27 8.370 8.370 8.013 0.357 18531 5607 1 22 . 1 1 28 28 LYS N N 28 116.300 116.300 118.857 -2.557 18531 5608 1 22 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.998 -0.328 18531 5609 1 22 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.170 0.430 18531 5610 1 22 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.080 0.120 18531 5611 1 22 . 1 1 28 28 LYS H H 28 7.170 7.170 7.505 -0.335 18531 5612 1 22 . 1 1 29 29 ALA N N 29 122.000 122.000 122.034 -0.034 18531 5613 1 22 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.212 -0.122 18531 5614 1 22 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.393 0.307 18531 5615 1 22 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.165 -0.665 18531 5616 1 22 . 1 1 29 29 ALA H H 29 7.200 7.200 7.416 -0.216 18531 5617 1 22 . 1 1 30 30 PHE N N 30 119.600 119.600 118.453 1.147 18531 5618 1 22 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.281 0.499 18531 5619 1 22 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.986 -3.386 18531 5620 1 22 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.923 -1.523 18531 5621 1 22 . 1 1 30 30 PHE H H 30 8.610 8.610 8.292 0.318 18531 5622 1 22 . 1 1 31 31 LYS N N 31 122.800 122.800 118.696 4.104 18531 5623 1 22 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.572 0.518 18531 5624 1 22 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.796 0.904 18531 5625 1 22 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.425 0.175 18531 5626 1 22 . 1 1 31 31 LYS H H 31 9.030 9.030 8.304 0.726 18531 5627 1 22 . 1 1 32 32 GLN N N 32 119.600 119.600 118.832 0.768 18531 5628 1 22 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.960 0.070 18531 5629 1 22 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.303 -0.603 18531 5630 1 22 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.515 -0.415 18531 5631 1 22 . 1 1 32 32 GLN H H 32 7.510 7.510 7.634 -0.124 18531 5632 1 22 . 1 1 33 33 TYR N N 33 120.400 120.400 119.586 0.814 18531 5633 1 22 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.157 0.093 18531 5634 1 22 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.019 0.781 18531 5635 1 22 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.252 0.448 18531 5636 1 22 . 1 1 33 33 TYR H H 33 8.080 8.080 7.849 0.231 18531 5637 1 22 . 1 1 34 34 ALA N N 34 122.300 122.300 121.808 0.492 18531 5638 1 22 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.192 -0.412 18531 5639 1 22 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.250 0.850 18531 5640 1 22 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.624 -0.924 18531 5641 1 22 . 1 1 34 34 ALA H H 34 9.210 9.210 8.096 1.114 18531 5642 1 22 . 1 1 35 35 ASN N N 35 117.700 117.700 117.720 -0.020 18531 5643 1 22 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.479 -0.019 18531 5644 1 22 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.827 1.173 18531 5645 1 22 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.084 0.916 18531 5646 1 22 . 1 1 35 35 ASN H H 35 8.390 8.390 8.168 0.222 18531 5647 1 22 . 1 1 36 36 ASP N N 36 121.100 121.100 120.785 0.315 18531 5648 1 22 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.413 -0.053 18531 5649 1 22 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.769 -0.069 18531 5650 1 22 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.320 -0.320 18531 5651 1 22 . 1 1 36 36 ASP H H 36 8.830 8.830 8.711 0.119 18531 5652 1 22 . 1 1 37 37 ASN N N 37 115.200 115.200 114.127 1.073 18531 5653 1 22 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.713 -0.103 18531 5654 1 22 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.607 0.093 18531 5655 1 22 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.440 0.560 18531 5656 1 22 . 1 1 37 37 ASN H H 37 7.390 7.390 7.585 -0.195 18531 5657 1 22 . 1 1 38 38 GLY N N 38 108.200 108.200 107.037 1.163 18531 5658 1 22 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.410 0.990 18531 5659 1 22 . 1 1 38 38 GLY H H 38 7.800 7.800 7.943 -0.143 18531 5660 1 22 . 1 1 39 39 VAL N N 39 120.800 120.800 121.273 -0.473 18531 5661 1 22 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.500 -0.360 18531 5662 1 22 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.029 -0.329 18531 5663 1 22 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.144 1.156 18531 5664 1 22 . 1 1 39 39 VAL H H 39 8.120 8.120 8.018 0.102 18531 5665 1 22 . 1 1 40 40 ASP N N 40 128.000 128.000 127.446 0.554 18531 5666 1 22 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.989 -0.099 18531 5667 1 22 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.821 -0.021 18531 5668 1 22 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.893 -1.793 18531 5669 1 22 . 1 1 40 40 ASP H H 40 8.770 8.770 8.453 0.317 18531 5670 1 22 . 1 1 41 41 GLY N N 41 107.100 107.100 108.648 -1.548 18531 5671 1 22 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.187 0.213 18531 5672 1 22 . 1 1 41 41 GLY H H 41 7.910 7.910 8.371 -0.461 18531 5673 1 22 . 1 1 42 42 VAL N N 42 120.300 120.300 123.422 -3.122 18531 5674 1 22 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.351 0.029 18531 5675 1 22 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.251 -0.151 18531 5676 1 22 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.350 1.050 18531 5677 1 22 . 1 1 42 42 VAL H H 42 8.250 8.250 8.196 0.054 18531 5678 1 22 . 1 1 43 43 TRP N N 43 130.700 130.700 129.081 1.619 18531 5679 1 22 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.608 -0.248 18531 5680 1 22 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.024 1.576 18531 5681 1 22 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.267 -2.067 18531 5682 1 22 . 1 1 43 43 TRP H H 43 9.360 9.360 8.723 0.637 18531 5683 1 22 . 1 1 44 44 THR N N 44 114.500 114.500 113.729 0.771 18531 5684 1 22 . 1 1 44 44 THR HA H 44 4.830 4.830 4.768 0.062 18531 5685 1 22 . 1 1 44 44 THR CA C 44 60.300 60.300 60.845 -0.545 18531 5686 1 22 . 1 1 44 44 THR CB C 44 72.100 72.100 71.491 0.609 18531 5687 1 22 . 1 1 44 44 THR H H 44 9.400 9.400 8.864 0.536 18531 5688 1 22 . 1 1 45 45 TYR N N 45 120.100 120.100 121.186 -1.086 18531 5689 1 22 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.401 0.569 18531 5690 1 22 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.351 -0.351 18531 5691 1 22 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.858 -0.258 18531 5692 1 22 . 1 1 45 45 TYR H H 45 8.580 8.580 8.372 0.208 18531 5693 1 22 . 1 1 46 46 ASP N N 46 128.300 128.300 128.022 0.278 18531 5694 1 22 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.471 0.109 18531 5695 1 22 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.771 0.129 18531 5696 1 22 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.456 1.644 18531 5697 1 22 . 1 1 46 46 ASP H H 46 7.580 7.580 7.770 -0.190 18531 5698 1 22 . 1 1 47 47 ASP N N 47 124.800 124.800 125.089 -0.289 18531 5699 1 22 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.180 -0.070 18531 5700 1 22 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.576 -0.076 18531 5701 1 22 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.222 1.878 18531 5702 1 22 . 1 1 47 47 ASP H H 47 8.590 8.590 8.068 0.522 18531 5703 1 22 . 1 1 48 48 ALA N N 48 119.700 119.700 123.240 -3.540 18531 5704 1 22 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.077 0.013 18531 5705 1 22 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.472 0.528 18531 5706 1 22 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.933 -0.633 18531 5707 1 22 . 1 1 48 48 ALA H H 48 8.340 8.340 7.944 0.396 18531 5708 1 22 . 1 1 49 49 THR N N 49 103.200 103.200 106.573 -3.373 18531 5709 1 22 . 1 1 49 49 THR HA H 49 4.390 4.390 4.501 -0.111 18531 5710 1 22 . 1 1 49 49 THR CA C 49 60.200 60.200 60.996 -0.796 18531 5711 1 22 . 1 1 49 49 THR CB C 49 70.000 70.000 69.775 0.225 18531 5712 1 22 . 1 1 49 49 THR H H 49 7.000 7.000 7.680 -0.680 18531 5713 1 22 . 1 1 50 50 LYS N N 50 123.100 123.100 119.142 3.958 18531 5714 1 22 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.074 0.116 18531 5715 1 22 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.579 -0.979 18531 5716 1 22 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.068 -1.468 18531 5717 1 22 . 1 1 50 50 LYS H H 50 7.860 7.860 7.665 0.195 18531 5718 1 22 . 1 1 51 51 THR N N 51 111.200 111.200 115.059 -3.859 18531 5719 1 22 . 1 1 51 51 THR HA H 51 5.490 5.490 5.257 0.233 18531 5720 1 22 . 1 1 51 51 THR CA C 51 62.300 62.300 61.766 0.534 18531 5721 1 22 . 1 1 51 51 THR CB C 51 72.100 72.100 70.435 1.665 18531 5722 1 22 . 1 1 51 51 THR H H 51 7.390 7.390 7.371 0.019 18531 5723 1 22 . 1 1 52 52 PHE N N 52 131.000 131.000 127.322 3.678 18531 5724 1 22 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.063 0.567 18531 5725 1 22 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.615 0.685 18531 5726 1 22 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.306 1.294 18531 5727 1 22 . 1 1 52 52 PHE H H 52 10.390 10.390 9.307 1.083 18531 5728 1 22 . 1 1 53 53 THR N N 53 117.400 117.400 115.145 2.255 18531 5729 1 22 . 1 1 53 53 THR HA H 53 5.270 5.270 4.468 0.802 18531 5730 1 22 . 1 1 53 53 THR CA C 53 61.200 61.200 61.728 -0.528 18531 5731 1 22 . 1 1 53 53 THR CB C 53 71.000 71.000 71.202 -0.202 18531 5732 1 22 . 1 1 53 53 THR H H 53 9.180 9.180 8.525 0.655 18531 5733 1 22 . 1 1 54 54 VAL N N 54 123.000 123.000 126.341 -3.341 18531 5734 1 22 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.992 0.468 18531 5735 1 22 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.016 -0.916 18531 5736 1 22 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.243 -0.943 18531 5737 1 22 . 1 1 54 54 VAL H H 54 8.280 8.280 7.704 0.576 18531 5738 1 22 . 1 1 55 55 THR N N 55 123.900 123.900 123.180 0.720 18531 5739 1 22 . 1 1 55 55 THR HA H 55 4.700 4.700 4.662 0.038 18531 5740 1 22 . 1 1 55 55 THR CA C 55 61.200 61.200 60.585 0.615 18531 5741 1 22 . 1 1 55 55 THR CB C 55 70.700 70.700 70.893 -0.193 18531 5742 1 22 . 1 1 55 55 THR H H 55 8.320 8.320 7.865 0.455 18531 5743 1 23 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.877 0.173 18531 5744 1 23 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.462 1.138 18531 5745 1 23 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.248 0.452 18531 5746 1 23 . 1 1 2 2 GLN H H 2 8.410 8.410 8.099 0.311 18531 5747 1 23 . 1 1 3 3 TYR N N 3 124.000 124.000 123.518 0.482 18531 5748 1 23 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.135 0.225 18531 5749 1 23 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.143 -0.043 18531 5750 1 23 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.670 1.929 18531 5751 1 23 . 1 1 3 3 TYR H H 3 9.070 9.070 8.971 0.099 18531 5752 1 23 . 1 1 4 4 LYS N N 4 122.500 122.500 121.854 0.646 18531 5753 1 23 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.979 0.240 18531 5754 1 23 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.279 -0.279 18531 5755 1 23 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.572 -0.572 18531 5756 1 23 . 1 1 4 4 LYS H H 4 9.100 9.100 8.567 0.533 18531 5757 1 23 . 1 1 5 5 LEU N N 5 126.400 126.400 125.804 0.596 18531 5758 1 23 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.774 0.196 18531 5759 1 23 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.282 -0.482 18531 5760 1 23 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.670 -4.070 18531 5761 1 23 . 1 1 5 5 LEU H H 5 8.620 8.620 8.613 0.007 18531 5762 1 23 . 1 1 6 6 VAL N N 6 127.000 127.000 124.155 2.845 18531 5763 1 23 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.315 -0.155 18531 5764 1 23 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.817 0.483 18531 5765 1 23 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.165 -0.465 18531 5766 1 23 . 1 1 6 6 VAL H H 6 9.190 9.190 8.126 1.064 18531 5767 1 23 . 1 1 7 7 ILE N N 7 125.400 125.400 128.747 -3.347 18531 5768 1 23 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.074 0.016 18531 5769 1 23 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.244 -0.544 18531 5770 1 23 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.199 0.801 18531 5771 1 23 . 1 1 7 7 ILE H H 7 8.800 8.800 8.677 0.123 18531 5772 1 23 . 1 1 8 8 ASN N N 8 128.900 128.900 127.591 1.309 18531 5773 1 23 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.004 0.276 18531 5774 1 23 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.300 -1.500 18531 5775 1 23 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.933 -0.833 18531 5776 1 23 . 1 1 8 8 ASN H H 8 8.990 8.990 8.027 0.963 18531 5777 1 23 . 1 1 9 9 GLY N N 9 110.200 110.200 108.095 2.105 18531 5778 1 23 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.383 0.317 18531 5779 1 23 . 1 1 9 9 GLY H H 9 7.920 7.920 8.160 -0.240 18531 5780 1 23 . 1 1 10 10 LYS N N 10 120.700 120.700 121.930 -1.230 18531 5781 1 23 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.081 -0.021 18531 5782 1 23 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.921 0.279 18531 5783 1 23 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.508 0.392 18531 5784 1 23 . 1 1 10 10 LYS H H 10 9.520 9.520 8.683 0.837 18531 5785 1 23 . 1 1 11 11 THR N N 11 108.900 108.900 109.207 -0.307 18531 5786 1 23 . 1 1 11 11 THR HA H 11 4.360 4.360 4.339 0.021 18531 5787 1 23 . 1 1 11 11 THR CA C 11 62.000 62.000 62.586 -0.586 18531 5788 1 23 . 1 1 11 11 THR CB C 11 69.800 69.800 69.477 0.323 18531 5789 1 23 . 1 1 11 11 THR H H 11 8.790 8.790 8.045 0.745 18531 5790 1 23 . 1 1 12 12 LEU N N 12 125.700 125.700 123.952 1.748 18531 5791 1 23 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.600 -0.160 18531 5792 1 23 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.310 0.689 18531 5793 1 23 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.412 -0.112 18531 5794 1 23 . 1 1 12 12 LEU H H 12 7.580 7.580 7.743 -0.163 18531 5795 1 23 . 1 1 13 13 LYS N N 13 123.500 123.500 125.861 -2.361 18531 5796 1 23 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.019 0.101 18531 5797 1 23 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.403 -1.503 18531 5798 1 23 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.167 -0.367 18531 5799 1 23 . 1 1 13 13 LYS H H 13 8.140 8.140 8.526 -0.386 18531 5800 1 23 . 1 1 14 14 GLY N N 14 109.100 109.100 111.585 -2.485 18531 5801 1 23 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.435 -0.235 18531 5802 1 23 . 1 1 14 14 GLY H H 14 8.340 8.340 8.789 -0.449 18531 5803 1 23 . 1 1 15 15 GLU N N 15 118.200 118.200 119.065 -0.865 18531 5804 1 23 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.637 0.963 18531 5805 1 23 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.958 -1.458 18531 5806 1 23 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.391 0.409 18531 5807 1 23 . 1 1 15 15 GLU H H 15 8.390 8.390 8.403 -0.013 18531 5808 1 23 . 1 1 16 16 THR N N 16 115.600 115.600 117.166 -1.566 18531 5809 1 23 . 1 1 16 16 THR HA H 16 4.730 4.730 4.847 -0.117 18531 5810 1 23 . 1 1 16 16 THR CA C 16 60.600 60.600 60.507 0.093 18531 5811 1 23 . 1 1 16 16 THR CB C 16 69.500 69.500 69.854 -0.354 18531 5812 1 23 . 1 1 16 16 THR H H 16 8.820 8.820 8.402 0.418 18531 5813 1 23 . 1 1 17 17 THR N N 17 111.800 111.800 114.231 -2.431 18531 5814 1 23 . 1 1 17 17 THR HA H 17 5.790 5.790 5.147 0.643 18531 5815 1 23 . 1 1 17 17 THR CA C 17 59.800 59.800 60.776 -0.976 18531 5816 1 23 . 1 1 17 17 THR CB C 17 73.100 73.100 71.983 1.117 18531 5817 1 23 . 1 1 17 17 THR H H 17 8.140 8.140 8.262 -0.122 18531 5818 1 23 . 1 1 18 18 THR N N 18 115.100 115.100 113.861 1.239 18531 5819 1 23 . 1 1 18 18 THR HA H 18 4.640 4.640 4.554 0.086 18531 5820 1 23 . 1 1 18 18 THR CA C 18 61.900 61.900 60.927 0.973 18531 5821 1 23 . 1 1 18 18 THR CB C 18 70.000 70.000 69.260 0.740 18531 5822 1 23 . 1 1 18 18 THR H H 18 8.930 8.930 8.498 0.432 18531 5823 1 23 . 1 1 19 19 LYS N N 19 124.300 124.300 121.620 2.680 18531 5824 1 23 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.884 0.446 18531 5825 1 23 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.519 -0.519 18531 5826 1 23 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.958 -0.158 18531 5827 1 23 . 1 1 19 19 LYS H H 19 7.950 7.950 8.257 -0.307 18531 5828 1 23 . 1 1 20 20 ALA N N 20 124.600 124.600 125.852 -1.252 18531 5829 1 23 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.698 0.082 18531 5830 1 23 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.016 -0.116 18531 5831 1 23 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.647 2.153 18531 5832 1 23 . 1 1 20 20 ALA H H 20 9.110 9.110 8.482 0.628 18531 5833 1 23 . 1 1 21 21 VAL N N 21 115.300 115.300 119.866 -4.566 18531 5834 1 23 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.728 0.382 18531 5835 1 23 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.328 -1.028 18531 5836 1 23 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.615 0.585 18531 5837 1 23 . 1 1 21 21 VAL H H 21 8.480 8.480 8.885 -0.405 18531 5838 1 23 . 1 1 22 22 ASP N N 22 115.200 115.200 112.861 2.339 18531 5839 1 23 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.904 -0.194 18531 5840 1 23 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.367 0.033 18531 5841 1 23 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.211 -0.010 18531 5842 1 23 . 1 1 22 22 ASP H H 22 7.310 7.310 7.641 -0.331 18531 5843 1 23 . 1 1 23 23 ALA N N 23 121.000 121.000 120.521 0.479 18531 5844 1 23 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.742 -0.402 18531 5845 1 23 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.787 0.113 18531 5846 1 23 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.430 -0.930 18531 5847 1 23 . 1 1 23 23 ALA H H 23 8.370 8.370 8.699 -0.329 18531 5848 1 23 . 1 1 24 24 GLU N N 24 118.900 118.900 119.249 -0.349 18531 5849 1 23 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531 5850 1 23 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.226 0.474 18531 5851 1 23 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.335 -0.235 18531 5852 1 23 . 1 1 24 24 GLU H H 24 8.410 8.410 8.261 0.149 18531 5853 1 23 . 1 1 25 25 THR N N 25 117.400 117.400 115.238 2.162 18531 5854 1 23 . 1 1 25 25 THR HA H 25 3.670 3.670 3.993 -0.323 18531 5855 1 23 . 1 1 25 25 THR CA C 25 66.800 66.800 66.150 0.650 18531 5856 1 23 . 1 1 25 25 THR CB C 25 68.000 68.000 68.624 -0.624 18531 5857 1 23 . 1 1 25 25 THR H H 25 8.380 8.380 8.908 -0.528 18531 5858 1 23 . 1 1 26 26 ALA N N 26 125.100 125.100 123.286 1.814 18531 5859 1 23 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.116 -0.926 18531 5860 1 23 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.149 0.851 18531 5861 1 23 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.207 -0.908 18531 5862 1 23 . 1 1 26 26 ALA H H 26 7.220 7.220 7.329 -0.109 18531 5863 1 23 . 1 1 27 27 GLU N N 27 117.400 117.400 119.048 -1.648 18531 5864 1 23 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.751 -1.161 18531 5865 1 23 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.297 0.403 18531 5866 1 23 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.347 -0.147 18531 5867 1 23 . 1 1 27 27 GLU H H 27 8.370 8.370 7.923 0.447 18531 5868 1 23 . 1 1 28 28 LYS N N 28 116.300 116.300 118.498 -2.198 18531 5869 1 23 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.069 -0.399 18531 5870 1 23 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.748 0.852 18531 5871 1 23 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.330 -0.129 18531 5872 1 23 . 1 1 28 28 LYS H H 28 7.170 7.170 7.389 -0.219 18531 5873 1 23 . 1 1 29 29 ALA N N 29 122.000 122.000 123.163 -1.163 18531 5874 1 23 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.096 -0.006 18531 5875 1 23 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.612 0.088 18531 5876 1 23 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.346 -0.846 18531 5877 1 23 . 1 1 29 29 ALA H H 29 7.200 7.200 7.256 -0.056 18531 5878 1 23 . 1 1 30 30 PHE N N 30 119.600 119.600 117.529 2.071 18531 5879 1 23 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.129 0.651 18531 5880 1 23 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.666 -4.066 18531 5881 1 23 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.499 -1.099 18531 5882 1 23 . 1 1 30 30 PHE H H 30 8.610 8.610 8.569 0.041 18531 5883 1 23 . 1 1 31 31 LYS N N 31 122.800 122.800 116.947 5.853 18531 5884 1 23 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.499 0.591 18531 5885 1 23 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.495 1.205 18531 5886 1 23 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.701 -0.101 18531 5887 1 23 . 1 1 31 31 LYS H H 31 9.030 9.030 7.521 1.509 18531 5888 1 23 . 1 1 32 32 GLN N N 32 119.600 119.600 119.315 0.285 18531 5889 1 23 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.974 0.056 18531 5890 1 23 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.485 -0.785 18531 5891 1 23 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.285 -0.184 18531 5892 1 23 . 1 1 32 32 GLN H H 32 7.510 7.510 8.008 -0.498 18531 5893 1 23 . 1 1 33 33 TYR N N 33 120.400 120.400 118.948 1.452 18531 5894 1 23 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.232 0.018 18531 5895 1 23 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.837 0.963 18531 5896 1 23 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.129 0.571 18531 5897 1 23 . 1 1 33 33 TYR H H 33 8.080 8.080 7.911 0.169 18531 5898 1 23 . 1 1 34 34 ALA N N 34 122.300 122.300 123.001 -0.701 18531 5899 1 23 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.191 -0.411 18531 5900 1 23 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.940 1.160 18531 5901 1 23 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.815 -1.115 18531 5902 1 23 . 1 1 34 34 ALA H H 34 9.210 9.210 7.982 1.228 18531 5903 1 23 . 1 1 35 35 ASN N N 35 117.700 117.700 117.180 0.520 18531 5904 1 23 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.471 -0.011 18531 5905 1 23 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.590 1.409 18531 5906 1 23 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.194 0.806 18531 5907 1 23 . 1 1 35 35 ASN H H 35 8.390 8.390 8.032 0.358 18531 5908 1 23 . 1 1 36 36 ASP N N 36 121.100 121.100 120.950 0.150 18531 5909 1 23 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.418 -0.058 18531 5910 1 23 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.021 -0.321 18531 5911 1 23 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.964 -0.964 18531 5912 1 23 . 1 1 36 36 ASP H H 36 8.830 8.830 8.641 0.189 18531 5913 1 23 . 1 1 37 37 ASN N N 37 115.200 115.200 114.698 0.502 18531 5914 1 23 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.732 -0.122 18531 5915 1 23 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.087 0.612 18531 5916 1 23 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.304 0.696 18531 5917 1 23 . 1 1 37 37 ASN H H 37 7.390 7.390 7.613 -0.223 18531 5918 1 23 . 1 1 38 38 GLY N N 38 108.200 108.200 107.133 1.067 18531 5919 1 23 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.663 0.737 18531 5920 1 23 . 1 1 38 38 GLY H H 38 7.800 7.800 7.774 0.026 18531 5921 1 23 . 1 1 39 39 VAL N N 39 120.800 120.800 121.663 -0.863 18531 5922 1 23 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.041 0.099 18531 5923 1 23 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.189 -0.489 18531 5924 1 23 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.007 1.294 18531 5925 1 23 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531 5926 1 23 . 1 1 40 40 ASP N N 40 128.000 128.000 126.160 1.840 18531 5927 1 23 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.076 -0.186 18531 5928 1 23 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.544 0.256 18531 5929 1 23 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.615 -1.515 18531 5930 1 23 . 1 1 40 40 ASP H H 40 8.770 8.770 8.111 0.659 18531 5931 1 23 . 1 1 41 41 GLY N N 41 107.100 107.100 108.449 -1.349 18531 5932 1 23 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.164 0.236 18531 5933 1 23 . 1 1 41 41 GLY H H 41 7.910 7.910 8.368 -0.458 18531 5934 1 23 . 1 1 42 42 VAL N N 42 120.300 120.300 123.217 -2.917 18531 5935 1 23 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.336 0.044 18531 5936 1 23 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.310 -0.210 18531 5937 1 23 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.595 0.805 18531 5938 1 23 . 1 1 42 42 VAL H H 42 8.250 8.250 8.260 -0.010 18531 5939 1 23 . 1 1 43 43 TRP N N 43 130.700 130.700 129.152 1.548 18531 5940 1 23 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.550 -0.190 18531 5941 1 23 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.202 1.398 18531 5942 1 23 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.783 -1.583 18531 5943 1 23 . 1 1 43 43 TRP H H 43 9.360 9.360 8.661 0.699 18531 5944 1 23 . 1 1 44 44 THR N N 44 114.500 114.500 113.824 0.676 18531 5945 1 23 . 1 1 44 44 THR HA H 44 4.830 4.830 4.757 0.073 18531 5946 1 23 . 1 1 44 44 THR CA C 44 60.300 60.300 60.526 -0.226 18531 5947 1 23 . 1 1 44 44 THR CB C 44 72.100 72.100 72.031 0.069 18531 5948 1 23 . 1 1 44 44 THR H H 44 9.400 9.400 8.490 0.910 18531 5949 1 23 . 1 1 45 45 TYR N N 45 120.100 120.100 123.926 -3.826 18531 5950 1 23 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.712 0.258 18531 5951 1 23 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.504 0.496 18531 5952 1 23 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.040 0.560 18531 5953 1 23 . 1 1 45 45 TYR H H 45 8.580 8.580 8.620 -0.040 18531 5954 1 23 . 1 1 46 46 ASP N N 46 128.300 128.300 128.853 -0.553 18531 5955 1 23 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.516 0.064 18531 5956 1 23 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.214 -0.313 18531 5957 1 23 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.868 1.232 18531 5958 1 23 . 1 1 46 46 ASP H H 46 7.580 7.580 7.932 -0.352 18531 5959 1 23 . 1 1 47 47 ASP N N 47 124.800 124.800 125.822 -1.022 18531 5960 1 23 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.381 -0.271 18531 5961 1 23 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.996 -0.496 18531 5962 1 23 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.494 1.606 18531 5963 1 23 . 1 1 47 47 ASP H H 47 8.590 8.590 8.147 0.443 18531 5964 1 23 . 1 1 48 48 ALA N N 48 119.700 119.700 123.174 -3.474 18531 5965 1 23 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.110 -0.020 18531 5966 1 23 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.683 0.317 18531 5967 1 23 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.857 -0.557 18531 5968 1 23 . 1 1 48 48 ALA H H 48 8.340 8.340 8.361 -0.021 18531 5969 1 23 . 1 1 49 49 THR N N 49 103.200 103.200 108.698 -5.498 18531 5970 1 23 . 1 1 49 49 THR HA H 49 4.390 4.390 4.511 -0.121 18531 5971 1 23 . 1 1 49 49 THR CA C 49 60.200 60.200 60.519 -0.319 18531 5972 1 23 . 1 1 49 49 THR CB C 49 70.000 70.000 69.302 0.698 18531 5973 1 23 . 1 1 49 49 THR H H 49 7.000 7.000 7.724 -0.724 18531 5974 1 23 . 1 1 50 50 LYS N N 50 123.100 123.100 119.583 3.517 18531 5975 1 23 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.977 0.213 18531 5976 1 23 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.758 -1.158 18531 5977 1 23 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.015 -1.415 18531 5978 1 23 . 1 1 50 50 LYS H H 50 7.860 7.860 7.693 0.167 18531 5979 1 23 . 1 1 51 51 THR N N 51 111.200 111.200 113.880 -2.680 18531 5980 1 23 . 1 1 51 51 THR HA H 51 5.490 5.490 5.281 0.209 18531 5981 1 23 . 1 1 51 51 THR CA C 51 62.300 62.300 61.423 0.877 18531 5982 1 23 . 1 1 51 51 THR CB C 51 72.100 72.100 72.091 0.009 18531 5983 1 23 . 1 1 51 51 THR H H 51 7.390 7.390 7.286 0.104 18531 5984 1 23 . 1 1 52 52 PHE N N 52 131.000 131.000 123.480 7.520 18531 5985 1 23 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.389 0.241 18531 5986 1 23 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.891 1.409 18531 5987 1 23 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.565 0.035 18531 5988 1 23 . 1 1 52 52 PHE H H 52 10.390 10.390 8.978 1.412 18531 5989 1 23 . 1 1 53 53 THR N N 53 117.400 117.400 115.879 1.521 18531 5990 1 23 . 1 1 53 53 THR HA H 53 5.270 5.270 4.396 0.874 18531 5991 1 23 . 1 1 53 53 THR CA C 53 61.200 61.200 61.955 -0.755 18531 5992 1 23 . 1 1 53 53 THR CB C 53 71.000 71.000 71.269 -0.269 18531 5993 1 23 . 1 1 53 53 THR H H 53 9.180 9.180 8.373 0.807 18531 5994 1 23 . 1 1 54 54 VAL N N 54 123.000 123.000 127.470 -4.470 18531 5995 1 23 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.695 0.765 18531 5996 1 23 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.587 -0.488 18531 5997 1 23 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.256 -0.956 18531 5998 1 23 . 1 1 54 54 VAL H H 54 8.280 8.280 7.578 0.702 18531 5999 1 23 . 1 1 55 55 THR N N 55 123.900 123.900 122.901 0.999 18531 6000 1 23 . 1 1 55 55 THR HA H 55 4.700 4.700 4.650 0.050 18531 6001 1 23 . 1 1 55 55 THR CA C 55 61.200 61.200 60.581 0.619 18531 6002 1 23 . 1 1 55 55 THR CB C 55 70.700 70.700 70.928 -0.228 18531 6003 1 23 . 1 1 55 55 THR H H 55 8.320 8.320 7.582 0.738 18531 6004 1 24 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.528 0.522 18531 6005 1 24 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.754 -0.154 18531 6006 1 24 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.997 -1.297 18531 6007 1 24 . 1 1 2 2 GLN H H 2 8.410 8.410 8.127 0.283 18531 6008 1 24 . 1 1 3 3 TYR N N 3 124.000 124.000 123.481 0.519 18531 6009 1 24 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.281 0.079 18531 6010 1 24 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.027 0.073 18531 6011 1 24 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.397 2.203 18531 6012 1 24 . 1 1 3 3 TYR H H 3 9.070 9.070 9.045 0.025 18531 6013 1 24 . 1 1 4 4 LYS N N 4 122.500 122.500 122.849 -0.349 18531 6014 1 24 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.911 0.309 18531 6015 1 24 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.881 0.119 18531 6016 1 24 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.617 0.383 18531 6017 1 24 . 1 1 4 4 LYS H H 4 9.100 9.100 8.822 0.278 18531 6018 1 24 . 1 1 5 5 LEU N N 5 126.400 126.400 127.220 -0.820 18531 6019 1 24 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.135 -0.165 18531 6020 1 24 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.036 -0.236 18531 6021 1 24 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.341 -3.741 18531 6022 1 24 . 1 1 5 5 LEU H H 5 8.620 8.620 8.843 -0.223 18531 6023 1 24 . 1 1 6 6 VAL N N 6 127.000 127.000 125.302 1.698 18531 6024 1 24 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.319 -0.159 18531 6025 1 24 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.844 1.456 18531 6026 1 24 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.869 -0.169 18531 6027 1 24 . 1 1 6 6 VAL H H 6 9.190 9.190 7.950 1.240 18531 6028 1 24 . 1 1 7 7 ILE N N 7 125.400 125.400 129.100 -3.700 18531 6029 1 24 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.069 0.021 18531 6030 1 24 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.224 -0.524 18531 6031 1 24 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.786 1.214 18531 6032 1 24 . 1 1 7 7 ILE H H 7 8.800 8.800 8.395 0.405 18531 6033 1 24 . 1 1 8 8 ASN N N 8 128.900 128.900 127.445 1.455 18531 6034 1 24 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531 6035 1 24 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.324 -1.524 18531 6036 1 24 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.856 -0.756 18531 6037 1 24 . 1 1 8 8 ASN H H 8 8.990 8.990 8.117 0.873 18531 6038 1 24 . 1 1 9 9 GLY N N 9 110.200 110.200 107.267 2.933 18531 6039 1 24 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.241 0.459 18531 6040 1 24 . 1 1 9 9 GLY H H 9 7.920 7.920 8.322 -0.402 18531 6041 1 24 . 1 1 10 10 LYS N N 10 120.700 120.700 122.013 -1.313 18531 6042 1 24 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.970 0.090 18531 6043 1 24 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.044 0.156 18531 6044 1 24 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.549 0.351 18531 6045 1 24 . 1 1 10 10 LYS H H 10 9.520 9.520 8.805 0.715 18531 6046 1 24 . 1 1 11 11 THR N N 11 108.900 108.900 108.127 0.773 18531 6047 1 24 . 1 1 11 11 THR HA H 11 4.360 4.360 4.304 0.056 18531 6048 1 24 . 1 1 11 11 THR CA C 11 62.000 62.000 62.713 -0.713 18531 6049 1 24 . 1 1 11 11 THR CB C 11 69.800 69.800 69.394 0.406 18531 6050 1 24 . 1 1 11 11 THR H H 11 8.790 8.790 7.499 1.291 18531 6051 1 24 . 1 1 12 12 LEU N N 12 125.700 125.700 123.822 1.878 18531 6052 1 24 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.601 -0.161 18531 6053 1 24 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.058 0.942 18531 6054 1 24 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.306 -0.006 18531 6055 1 24 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531 6056 1 24 . 1 1 13 13 LYS N N 13 123.500 123.500 125.758 -2.258 18531 6057 1 24 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.010 0.110 18531 6058 1 24 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.227 -1.327 18531 6059 1 24 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.435 -0.635 18531 6060 1 24 . 1 1 13 13 LYS H H 13 8.140 8.140 8.497 -0.357 18531 6061 1 24 . 1 1 14 14 GLY N N 14 109.100 109.100 111.346 -2.246 18531 6062 1 24 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.830 -0.630 18531 6063 1 24 . 1 1 14 14 GLY H H 14 8.340 8.340 8.852 -0.512 18531 6064 1 24 . 1 1 15 15 GLU N N 15 118.200 118.200 118.844 -0.644 18531 6065 1 24 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.701 0.899 18531 6066 1 24 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.174 -1.674 18531 6067 1 24 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.606 0.194 18531 6068 1 24 . 1 1 15 15 GLU H H 15 8.390 8.390 8.552 -0.162 18531 6069 1 24 . 1 1 16 16 THR N N 16 115.600 115.600 116.831 -1.231 18531 6070 1 24 . 1 1 16 16 THR HA H 16 4.730 4.730 4.782 -0.052 18531 6071 1 24 . 1 1 16 16 THR CA C 16 60.600 60.600 60.709 -0.109 18531 6072 1 24 . 1 1 16 16 THR CB C 16 69.500 69.500 69.553 -0.053 18531 6073 1 24 . 1 1 16 16 THR H H 16 8.820 8.820 8.354 0.466 18531 6074 1 24 . 1 1 17 17 THR N N 17 111.800 111.800 114.069 -2.269 18531 6075 1 24 . 1 1 17 17 THR HA H 17 5.790 5.790 5.456 0.334 18531 6076 1 24 . 1 1 17 17 THR CA C 17 59.800 59.800 60.457 -0.657 18531 6077 1 24 . 1 1 17 17 THR CB C 17 73.100 73.100 71.903 1.198 18531 6078 1 24 . 1 1 17 17 THR H H 17 8.140 8.140 8.250 -0.110 18531 6079 1 24 . 1 1 18 18 THR N N 18 115.100 115.100 114.559 0.541 18531 6080 1 24 . 1 1 18 18 THR HA H 18 4.640 4.640 4.396 0.244 18531 6081 1 24 . 1 1 18 18 THR CA C 18 61.900 61.900 61.614 0.286 18531 6082 1 24 . 1 1 18 18 THR CB C 18 70.000 70.000 70.674 -0.674 18531 6083 1 24 . 1 1 18 18 THR H H 18 8.930 8.930 8.579 0.351 18531 6084 1 24 . 1 1 19 19 LYS N N 19 124.300 124.300 124.823 -0.523 18531 6085 1 24 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.813 0.517 18531 6086 1 24 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.075 -0.075 18531 6087 1 24 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.943 -0.143 18531 6088 1 24 . 1 1 19 19 LYS H H 19 7.950 7.950 8.359 -0.409 18531 6089 1 24 . 1 1 20 20 ALA N N 20 124.600 124.600 125.778 -1.178 18531 6090 1 24 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.604 0.176 18531 6091 1 24 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.357 -0.457 18531 6092 1 24 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.522 2.278 18531 6093 1 24 . 1 1 20 20 ALA H H 20 9.110 9.110 8.073 1.037 18531 6094 1 24 . 1 1 21 21 VAL N N 21 115.300 115.300 115.121 0.179 18531 6095 1 24 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.880 0.230 18531 6096 1 24 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.523 -1.223 18531 6097 1 24 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.000 0.200 18531 6098 1 24 . 1 1 21 21 VAL H H 21 8.480 8.480 8.477 0.003 18531 6099 1 24 . 1 1 22 22 ASP N N 22 115.200 115.200 115.871 -0.671 18531 6100 1 24 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.785 -0.075 18531 6101 1 24 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.706 -0.306 18531 6102 1 24 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.813 -0.613 18531 6103 1 24 . 1 1 22 22 ASP H H 22 7.310 7.310 7.529 -0.219 18531 6104 1 24 . 1 1 23 23 ALA N N 23 121.000 121.000 121.272 -0.272 18531 6105 1 24 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.933 -0.593 18531 6106 1 24 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.215 -0.315 18531 6107 1 24 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.435 -0.935 18531 6108 1 24 . 1 1 23 23 ALA H H 23 8.370 8.370 8.772 -0.402 18531 6109 1 24 . 1 1 24 24 GLU N N 24 118.900 118.900 118.356 0.544 18531 6110 1 24 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.987 -0.127 18531 6111 1 24 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.417 0.283 18531 6112 1 24 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.300 -0.200 18531 6113 1 24 . 1 1 24 24 GLU H H 24 8.410 8.410 8.228 0.182 18531 6114 1 24 . 1 1 25 25 THR N N 25 117.400 117.400 115.750 1.650 18531 6115 1 24 . 1 1 25 25 THR HA H 25 3.670 3.670 4.074 -0.404 18531 6116 1 24 . 1 1 25 25 THR CA C 25 66.800 66.800 65.802 0.998 18531 6117 1 24 . 1 1 25 25 THR CB C 25 68.000 68.000 68.706 -0.706 18531 6118 1 24 . 1 1 25 25 THR H H 25 8.380 8.380 8.027 0.353 18531 6119 1 24 . 1 1 26 26 ALA N N 26 125.100 125.100 124.467 0.633 18531 6120 1 24 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.620 -0.430 18531 6121 1 24 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.897 0.103 18531 6122 1 24 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.302 -0.002 18531 6123 1 24 . 1 1 26 26 ALA H H 26 7.220 7.220 7.563 -0.343 18531 6124 1 24 . 1 1 27 27 GLU N N 27 117.400 117.400 117.120 0.280 18531 6125 1 24 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.764 -1.174 18531 6126 1 24 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.356 0.344 18531 6127 1 24 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.551 -0.351 18531 6128 1 24 . 1 1 27 27 GLU H H 27 8.370 8.370 8.407 -0.037 18531 6129 1 24 . 1 1 28 28 LYS N N 28 116.300 116.300 118.365 -2.065 18531 6130 1 24 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.060 -0.390 18531 6131 1 24 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.321 1.279 18531 6132 1 24 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.965 0.235 18531 6133 1 24 . 1 1 28 28 LYS H H 28 7.170 7.170 7.408 -0.238 18531 6134 1 24 . 1 1 29 29 ALA N N 29 122.000 122.000 122.617 -0.617 18531 6135 1 24 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.131 -0.041 18531 6136 1 24 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.660 0.040 18531 6137 1 24 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.009 -0.510 18531 6138 1 24 . 1 1 29 29 ALA H H 29 7.200 7.200 7.062 0.138 18531 6139 1 24 . 1 1 30 30 PHE N N 30 119.600 119.600 117.966 1.634 18531 6140 1 24 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.143 0.637 18531 6141 1 24 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.866 -4.266 18531 6142 1 24 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.400 -1.000 18531 6143 1 24 . 1 1 30 30 PHE H H 30 8.610 8.610 8.571 0.039 18531 6144 1 24 . 1 1 31 31 LYS N N 31 122.800 122.800 118.005 4.795 18531 6145 1 24 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.566 0.524 18531 6146 1 24 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.538 0.162 18531 6147 1 24 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.907 -0.307 18531 6148 1 24 . 1 1 31 31 LYS H H 31 9.030 9.030 7.632 1.398 18531 6149 1 24 . 1 1 32 32 GLN N N 32 119.600 119.600 119.454 0.146 18531 6150 1 24 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.052 -0.022 18531 6151 1 24 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.060 -0.360 18531 6152 1 24 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.459 -0.359 18531 6153 1 24 . 1 1 32 32 GLN H H 32 7.510 7.510 7.657 -0.147 18531 6154 1 24 . 1 1 33 33 TYR N N 33 120.400 120.400 121.106 -0.706 18531 6155 1 24 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.105 0.145 18531 6156 1 24 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.904 0.896 18531 6157 1 24 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.260 0.440 18531 6158 1 24 . 1 1 33 33 TYR H H 33 8.080 8.080 7.807 0.273 18531 6159 1 24 . 1 1 34 34 ALA N N 34 122.300 122.300 121.502 0.798 18531 6160 1 24 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.936 -0.156 18531 6161 1 24 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.597 1.503 18531 6162 1 24 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.827 -1.127 18531 6163 1 24 . 1 1 34 34 ALA H H 34 9.210 9.210 8.095 1.115 18531 6164 1 24 . 1 1 35 35 ASN N N 35 117.700 117.700 118.913 -1.213 18531 6165 1 24 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.417 0.043 18531 6166 1 24 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.052 0.948 18531 6167 1 24 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.986 1.014 18531 6168 1 24 . 1 1 35 35 ASN H H 35 8.390 8.390 8.350 0.040 18531 6169 1 24 . 1 1 36 36 ASP N N 36 121.100 121.100 120.483 0.617 18531 6170 1 24 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.466 -0.106 18531 6171 1 24 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.867 -0.167 18531 6172 1 24 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.651 -0.651 18531 6173 1 24 . 1 1 36 36 ASP H H 36 8.830 8.830 8.516 0.314 18531 6174 1 24 . 1 1 37 37 ASN N N 37 115.200 115.200 115.661 -0.461 18531 6175 1 24 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.711 -0.101 18531 6176 1 24 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.269 1.431 18531 6177 1 24 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.968 1.032 18531 6178 1 24 . 1 1 37 37 ASN H H 37 7.390 7.390 7.687 -0.297 18531 6179 1 24 . 1 1 38 38 GLY N N 38 108.200 108.200 109.976 -1.776 18531 6180 1 24 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.016 1.384 18531 6181 1 24 . 1 1 38 38 GLY H H 38 7.800 7.800 8.026 -0.226 18531 6182 1 24 . 1 1 39 39 VAL N N 39 120.800 120.800 119.342 1.458 18531 6183 1 24 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.702 0.438 18531 6184 1 24 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.255 -1.555 18531 6185 1 24 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.984 1.316 18531 6186 1 24 . 1 1 39 39 VAL H H 39 8.120 8.120 8.233 -0.113 18531 6187 1 24 . 1 1 40 40 ASP N N 40 128.000 128.000 125.799 2.201 18531 6188 1 24 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.081 -0.191 18531 6189 1 24 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.722 -0.922 18531 6190 1 24 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.463 -0.363 18531 6191 1 24 . 1 1 40 40 ASP H H 40 8.770 8.770 8.168 0.602 18531 6192 1 24 . 1 1 41 41 GLY N N 41 107.100 107.100 111.200 -4.100 18531 6193 1 24 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.868 0.532 18531 6194 1 24 . 1 1 41 41 GLY H H 41 7.910 7.910 8.362 -0.452 18531 6195 1 24 . 1 1 42 42 VAL N N 42 120.300 120.300 122.316 -2.016 18531 6196 1 24 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.263 0.117 18531 6197 1 24 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.841 -0.741 18531 6198 1 24 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.645 0.755 18531 6199 1 24 . 1 1 42 42 VAL H H 42 8.250 8.250 8.267 -0.017 18531 6200 1 24 . 1 1 43 43 TRP N N 43 130.700 130.700 129.005 1.695 18531 6201 1 24 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.578 -0.218 18531 6202 1 24 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.149 1.451 18531 6203 1 24 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.685 -1.485 18531 6204 1 24 . 1 1 43 43 TRP H H 43 9.360 9.360 8.666 0.694 18531 6205 1 24 . 1 1 44 44 THR N N 44 114.500 114.500 114.237 0.263 18531 6206 1 24 . 1 1 44 44 THR HA H 44 4.830 4.830 4.713 0.117 18531 6207 1 24 . 1 1 44 44 THR CA C 44 60.300 60.300 60.980 -0.680 18531 6208 1 24 . 1 1 44 44 THR CB C 44 72.100 72.100 71.591 0.508 18531 6209 1 24 . 1 1 44 44 THR H H 44 9.400 9.400 8.448 0.952 18531 6210 1 24 . 1 1 45 45 TYR N N 45 120.100 120.100 125.574 -5.474 18531 6211 1 24 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.149 0.821 18531 6212 1 24 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.984 1.016 18531 6213 1 24 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.211 1.389 18531 6214 1 24 . 1 1 45 45 TYR H H 45 8.580 8.580 8.603 -0.023 18531 6215 1 24 . 1 1 46 46 ASP N N 46 128.300 128.300 128.615 -0.315 18531 6216 1 24 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531 6217 1 24 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.925 -0.025 18531 6218 1 24 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.558 1.542 18531 6219 1 24 . 1 1 46 46 ASP H H 46 7.580 7.580 7.883 -0.303 18531 6220 1 24 . 1 1 47 47 ASP N N 47 124.800 124.800 124.522 0.278 18531 6221 1 24 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.275 -0.165 18531 6222 1 24 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.526 -0.026 18531 6223 1 24 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.316 1.784 18531 6224 1 24 . 1 1 47 47 ASP H H 47 8.590 8.590 8.055 0.535 18531 6225 1 24 . 1 1 48 48 ALA N N 48 119.700 119.700 122.645 -2.945 18531 6226 1 24 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.040 0.050 18531 6227 1 24 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.688 0.312 18531 6228 1 24 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.738 -0.438 18531 6229 1 24 . 1 1 48 48 ALA H H 48 8.340 8.340 7.731 0.609 18531 6230 1 24 . 1 1 49 49 THR N N 49 103.200 103.200 107.997 -4.797 18531 6231 1 24 . 1 1 49 49 THR HA H 49 4.390 4.390 4.424 -0.034 18531 6232 1 24 . 1 1 49 49 THR CA C 49 60.200 60.200 60.072 0.128 18531 6233 1 24 . 1 1 49 49 THR CB C 49 70.000 70.000 68.727 1.273 18531 6234 1 24 . 1 1 49 49 THR H H 49 7.000 7.000 7.665 -0.665 18531 6235 1 24 . 1 1 50 50 LYS N N 50 123.100 123.100 120.552 2.548 18531 6236 1 24 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.142 0.048 18531 6237 1 24 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.599 -0.999 18531 6238 1 24 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.353 -0.753 18531 6239 1 24 . 1 1 50 50 LYS H H 50 7.860 7.860 7.698 0.162 18531 6240 1 24 . 1 1 51 51 THR N N 51 111.200 111.200 114.891 -3.691 18531 6241 1 24 . 1 1 51 51 THR HA H 51 5.490 5.490 5.406 0.084 18531 6242 1 24 . 1 1 51 51 THR CA C 51 62.300 62.300 62.360 -0.060 18531 6243 1 24 . 1 1 51 51 THR CB C 51 72.100 72.100 71.867 0.233 18531 6244 1 24 . 1 1 51 51 THR H H 51 7.390 7.390 7.527 -0.137 18531 6245 1 24 . 1 1 52 52 PHE N N 52 131.000 131.000 126.184 4.816 18531 6246 1 24 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.631 -0.001 18531 6247 1 24 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.744 1.556 18531 6248 1 24 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.133 0.466 18531 6249 1 24 . 1 1 52 52 PHE H H 52 10.390 10.390 9.608 0.782 18531 6250 1 24 . 1 1 53 53 THR N N 53 117.400 117.400 117.959 -0.559 18531 6251 1 24 . 1 1 53 53 THR HA H 53 5.270 5.270 4.517 0.753 18531 6252 1 24 . 1 1 53 53 THR CA C 53 61.200 61.200 61.948 -0.748 18531 6253 1 24 . 1 1 53 53 THR CB C 53 71.000 71.000 70.642 0.358 18531 6254 1 24 . 1 1 53 53 THR H H 53 9.180 9.180 8.451 0.729 18531 6255 1 24 . 1 1 54 54 VAL N N 54 123.000 123.000 127.476 -4.476 18531 6256 1 24 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.675 0.785 18531 6257 1 24 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.829 -0.729 18531 6258 1 24 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.523 -0.223 18531 6259 1 24 . 1 1 54 54 VAL H H 54 8.280 8.280 7.713 0.567 18531 6260 1 24 . 1 1 55 55 THR N N 55 123.900 123.900 122.787 1.113 18531 6261 1 24 . 1 1 55 55 THR HA H 55 4.700 4.700 4.619 0.081 18531 6262 1 24 . 1 1 55 55 THR CA C 55 61.200 61.200 60.584 0.617 18531 6263 1 24 . 1 1 55 55 THR CB C 55 70.700 70.700 70.786 -0.086 18531 6264 1 24 . 1 1 55 55 THR H H 55 8.320 8.320 7.709 0.611 18531 6265 1 25 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.427 0.623 18531 6266 1 25 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.659 -0.059 18531 6267 1 25 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.852 -1.153 18531 6268 1 25 . 1 1 2 2 GLN H H 2 8.410 8.410 8.082 0.328 18531 6269 1 25 . 1 1 3 3 TYR N N 3 124.000 124.000 124.113 -0.113 18531 6270 1 25 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.291 0.069 18531 6271 1 25 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.833 0.267 18531 6272 1 25 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.853 2.747 18531 6273 1 25 . 1 1 3 3 TYR H H 3 9.070 9.070 8.835 0.235 18531 6274 1 25 . 1 1 4 4 LYS N N 4 122.500 122.500 123.378 -0.878 18531 6275 1 25 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.862 0.358 18531 6276 1 25 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.897 0.103 18531 6277 1 25 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.234 0.766 18531 6278 1 25 . 1 1 4 4 LYS H H 4 9.100 9.100 8.849 0.251 18531 6279 1 25 . 1 1 5 5 LEU N N 5 126.400 126.400 127.101 -0.701 18531 6280 1 25 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.187 -0.217 18531 6281 1 25 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.102 -0.302 18531 6282 1 25 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.330 -3.730 18531 6283 1 25 . 1 1 5 5 LEU H H 5 8.620 8.620 8.346 0.274 18531 6284 1 25 . 1 1 6 6 VAL N N 6 127.000 127.000 124.929 2.071 18531 6285 1 25 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.319 -0.159 18531 6286 1 25 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.568 0.732 18531 6287 1 25 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.600 -0.900 18531 6288 1 25 . 1 1 6 6 VAL H H 6 9.190 9.190 7.874 1.316 18531 6289 1 25 . 1 1 7 7 ILE N N 7 125.400 125.400 128.760 -3.360 18531 6290 1 25 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.128 -0.038 18531 6291 1 25 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.070 -0.370 18531 6292 1 25 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.440 0.561 18531 6293 1 25 . 1 1 7 7 ILE H H 7 8.800 8.800 8.296 0.504 18531 6294 1 25 . 1 1 8 8 ASN N N 8 128.900 128.900 127.490 1.410 18531 6295 1 25 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.035 0.245 18531 6296 1 25 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.312 -1.512 18531 6297 1 25 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.843 -0.743 18531 6298 1 25 . 1 1 8 8 ASN H H 8 8.990 8.990 8.047 0.943 18531 6299 1 25 . 1 1 9 9 GLY N N 9 110.200 110.200 107.527 2.673 18531 6300 1 25 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.206 0.494 18531 6301 1 25 . 1 1 9 9 GLY H H 9 7.920 7.920 8.276 -0.356 18531 6302 1 25 . 1 1 10 10 LYS N N 10 120.700 120.700 121.457 -0.757 18531 6303 1 25 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.032 0.028 18531 6304 1 25 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.810 0.390 18531 6305 1 25 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.506 0.394 18531 6306 1 25 . 1 1 10 10 LYS H H 10 9.520 9.520 8.821 0.699 18531 6307 1 25 . 1 1 11 11 THR N N 11 108.900 108.900 109.521 -0.621 18531 6308 1 25 . 1 1 11 11 THR HA H 11 4.360 4.360 4.326 0.034 18531 6309 1 25 . 1 1 11 11 THR CA C 11 62.000 62.000 62.632 -0.632 18531 6310 1 25 . 1 1 11 11 THR CB C 11 69.800 69.800 69.254 0.546 18531 6311 1 25 . 1 1 11 11 THR H H 11 8.790 8.790 7.767 1.023 18531 6312 1 25 . 1 1 12 12 LEU N N 12 125.700 125.700 123.798 1.902 18531 6313 1 25 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.667 -0.227 18531 6314 1 25 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.128 0.872 18531 6315 1 25 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.432 -0.132 18531 6316 1 25 . 1 1 12 12 LEU H H 12 7.580 7.580 7.766 -0.186 18531 6317 1 25 . 1 1 13 13 LYS N N 13 123.500 123.500 125.710 -2.210 18531 6318 1 25 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.931 0.189 18531 6319 1 25 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.361 -1.462 18531 6320 1 25 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.359 -0.559 18531 6321 1 25 . 1 1 13 13 LYS H H 13 8.140 8.140 8.519 -0.379 18531 6322 1 25 . 1 1 14 14 GLY N N 14 109.100 109.100 111.328 -2.228 18531 6323 1 25 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.768 -0.568 18531 6324 1 25 . 1 1 14 14 GLY H H 14 8.340 8.340 8.686 -0.346 18531 6325 1 25 . 1 1 15 15 GLU N N 15 118.200 118.200 119.125 -0.925 18531 6326 1 25 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.562 1.038 18531 6327 1 25 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.809 -1.309 18531 6328 1 25 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.317 0.483 18531 6329 1 25 . 1 1 15 15 GLU H H 15 8.390 8.390 8.305 0.085 18531 6330 1 25 . 1 1 16 16 THR N N 16 115.600 115.600 115.507 0.093 18531 6331 1 25 . 1 1 16 16 THR HA H 16 4.730 4.730 4.644 0.086 18531 6332 1 25 . 1 1 16 16 THR CA C 16 60.600 60.600 61.294 -0.694 18531 6333 1 25 . 1 1 16 16 THR CB C 16 69.500 69.500 69.751 -0.251 18531 6334 1 25 . 1 1 16 16 THR H H 16 8.820 8.820 8.435 0.385 18531 6335 1 25 . 1 1 17 17 THR N N 17 111.800 111.800 115.649 -3.849 18531 6336 1 25 . 1 1 17 17 THR HA H 17 5.790 5.790 5.482 0.308 18531 6337 1 25 . 1 1 17 17 THR CA C 17 59.800 59.800 60.723 -0.923 18531 6338 1 25 . 1 1 17 17 THR CB C 17 73.100 73.100 71.896 1.204 18531 6339 1 25 . 1 1 17 17 THR H H 17 8.140 8.140 8.296 -0.156 18531 6340 1 25 . 1 1 18 18 THR N N 18 115.100 115.100 114.889 0.211 18531 6341 1 25 . 1 1 18 18 THR HA H 18 4.640 4.640 4.597 0.043 18531 6342 1 25 . 1 1 18 18 THR CA C 18 61.900 61.900 60.941 0.959 18531 6343 1 25 . 1 1 18 18 THR CB C 18 70.000 70.000 70.049 -0.049 18531 6344 1 25 . 1 1 18 18 THR H H 18 8.930 8.930 8.504 0.426 18531 6345 1 25 . 1 1 19 19 LYS N N 19 124.300 124.300 125.118 -0.818 18531 6346 1 25 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.691 0.639 18531 6347 1 25 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.268 -0.268 18531 6348 1 25 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.862 -0.062 18531 6349 1 25 . 1 1 19 19 LYS H H 19 7.950 7.950 8.368 -0.418 18531 6350 1 25 . 1 1 20 20 ALA N N 20 124.600 124.600 126.331 -1.731 18531 6351 1 25 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.743 0.037 18531 6352 1 25 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.624 -0.724 18531 6353 1 25 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.890 1.910 18531 6354 1 25 . 1 1 20 20 ALA H H 20 9.110 9.110 8.385 0.725 18531 6355 1 25 . 1 1 21 21 VAL N N 21 115.300 115.300 116.795 -1.495 18531 6356 1 25 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.896 0.214 18531 6357 1 25 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.428 -1.128 18531 6358 1 25 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.847 0.353 18531 6359 1 25 . 1 1 21 21 VAL H H 21 8.480 8.480 8.558 -0.078 18531 6360 1 25 . 1 1 22 22 ASP N N 22 115.200 115.200 117.181 -1.981 18531 6361 1 25 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.819 -0.109 18531 6362 1 25 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.050 -0.650 18531 6363 1 25 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.084 -0.883 18531 6364 1 25 . 1 1 22 22 ASP H H 22 7.310 7.310 7.613 -0.303 18531 6365 1 25 . 1 1 23 23 ALA N N 23 121.000 121.000 123.691 -2.691 18531 6366 1 25 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.937 -0.597 18531 6367 1 25 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.000 -0.100 18531 6368 1 25 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.873 -1.373 18531 6369 1 25 . 1 1 23 23 ALA H H 23 8.370 8.370 8.702 -0.332 18531 6370 1 25 . 1 1 24 24 GLU N N 24 118.900 118.900 118.021 0.879 18531 6371 1 25 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.909 -0.049 18531 6372 1 25 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.605 0.095 18531 6373 1 25 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.235 -0.135 18531 6374 1 25 . 1 1 24 24 GLU H H 24 8.410 8.410 7.928 0.482 18531 6375 1 25 . 1 1 25 25 THR N N 25 117.400 117.400 114.076 3.324 18531 6376 1 25 . 1 1 25 25 THR HA H 25 3.670 3.670 4.010 -0.340 18531 6377 1 25 . 1 1 25 25 THR CA C 25 66.800 66.800 64.903 1.897 18531 6378 1 25 . 1 1 25 25 THR CB C 25 68.000 68.000 68.485 -0.485 18531 6379 1 25 . 1 1 25 25 THR H H 25 8.380 8.380 8.167 0.213 18531 6380 1 25 . 1 1 26 26 ALA N N 26 125.100 125.100 123.525 1.575 18531 6381 1 25 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.817 -0.627 18531 6382 1 25 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.562 0.438 18531 6383 1 25 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.628 -0.328 18531 6384 1 25 . 1 1 26 26 ALA H H 26 7.220 7.220 7.233 -0.013 18531 6385 1 25 . 1 1 27 27 GLU N N 27 117.400 117.400 119.289 -1.889 18531 6386 1 25 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.691 -1.101 18531 6387 1 25 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.554 0.146 18531 6388 1 25 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.395 -0.195 18531 6389 1 25 . 1 1 27 27 GLU H H 27 8.370 8.370 7.580 0.790 18531 6390 1 25 . 1 1 28 28 LYS N N 28 116.300 116.300 118.072 -1.772 18531 6391 1 25 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.904 -0.234 18531 6392 1 25 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.264 0.336 18531 6393 1 25 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.968 0.232 18531 6394 1 25 . 1 1 28 28 LYS H H 28 7.170 7.170 7.558 -0.388 18531 6395 1 25 . 1 1 29 29 ALA N N 29 122.000 122.000 122.032 -0.032 18531 6396 1 25 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.166 -0.076 18531 6397 1 25 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.491 0.209 18531 6398 1 25 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.185 -0.685 18531 6399 1 25 . 1 1 29 29 ALA H H 29 7.200 7.200 7.309 -0.109 18531 6400 1 25 . 1 1 30 30 PHE N N 30 119.600 119.600 118.828 0.772 18531 6401 1 25 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.122 0.658 18531 6402 1 25 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.548 -3.948 18531 6403 1 25 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.424 -1.024 18531 6404 1 25 . 1 1 30 30 PHE H H 30 8.610 8.610 8.184 0.426 18531 6405 1 25 . 1 1 31 31 LYS N N 31 122.800 122.800 117.196 5.604 18531 6406 1 25 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.493 0.597 18531 6407 1 25 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.730 0.970 18531 6408 1 25 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.319 0.281 18531 6409 1 25 . 1 1 31 31 LYS H H 31 9.030 9.030 8.405 0.625 18531 6410 1 25 . 1 1 32 32 GLN N N 32 119.600 119.600 118.701 0.899 18531 6411 1 25 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.975 0.055 18531 6412 1 25 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.263 -0.563 18531 6413 1 25 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.541 -0.441 18531 6414 1 25 . 1 1 32 32 GLN H H 32 7.510 7.510 7.613 -0.103 18531 6415 1 25 . 1 1 33 33 TYR N N 33 120.400 120.400 118.869 1.531 18531 6416 1 25 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.225 0.025 18531 6417 1 25 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.935 0.865 18531 6418 1 25 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.072 0.628 18531 6419 1 25 . 1 1 33 33 TYR H H 33 8.080 8.080 7.944 0.136 18531 6420 1 25 . 1 1 34 34 ALA N N 34 122.300 122.300 121.855 0.445 18531 6421 1 25 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.035 -0.255 18531 6422 1 25 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.213 0.887 18531 6423 1 25 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.569 -0.869 18531 6424 1 25 . 1 1 34 34 ALA H H 34 9.210 9.210 7.911 1.299 18531 6425 1 25 . 1 1 35 35 ASN N N 35 117.700 117.700 117.260 0.440 18531 6426 1 25 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.472 -0.012 18531 6427 1 25 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.956 1.044 18531 6428 1 25 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.048 0.952 18531 6429 1 25 . 1 1 35 35 ASN H H 35 8.390 8.390 7.915 0.475 18531 6430 1 25 . 1 1 36 36 ASP N N 36 121.100 121.100 120.499 0.601 18531 6431 1 25 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.385 -0.025 18531 6432 1 25 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.953 -0.253 18531 6433 1 25 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.424 -0.424 18531 6434 1 25 . 1 1 36 36 ASP H H 36 8.830 8.830 8.258 0.572 18531 6435 1 25 . 1 1 37 37 ASN N N 37 115.200 115.200 113.889 1.311 18531 6436 1 25 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.688 -0.078 18531 6437 1 25 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.288 0.413 18531 6438 1 25 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.237 0.763 18531 6439 1 25 . 1 1 37 37 ASN H H 37 7.390 7.390 7.573 -0.183 18531 6440 1 25 . 1 1 38 38 GLY N N 38 108.200 108.200 108.640 -0.440 18531 6441 1 25 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.866 0.534 18531 6442 1 25 . 1 1 38 38 GLY H H 38 7.800 7.800 8.051 -0.251 18531 6443 1 25 . 1 1 39 39 VAL N N 39 120.800 120.800 120.821 -0.021 18531 6444 1 25 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.451 -0.311 18531 6445 1 25 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.126 0.574 18531 6446 1 25 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.436 1.864 18531 6447 1 25 . 1 1 39 39 VAL H H 39 8.120 8.120 7.930 0.190 18531 6448 1 25 . 1 1 40 40 ASP N N 40 128.000 128.000 127.396 0.604 18531 6449 1 25 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.163 -0.273 18531 6450 1 25 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.850 -0.050 18531 6451 1 25 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.936 -1.836 18531 6452 1 25 . 1 1 40 40 ASP H H 40 8.770 8.770 8.093 0.677 18531 6453 1 25 . 1 1 41 41 GLY N N 41 107.100 107.100 108.797 -1.697 18531 6454 1 25 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.437 -0.037 18531 6455 1 25 . 1 1 41 41 GLY H H 41 7.910 7.910 8.402 -0.492 18531 6456 1 25 . 1 1 42 42 VAL N N 42 120.300 120.300 123.778 -3.478 18531 6457 1 25 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.504 -0.124 18531 6458 1 25 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.821 0.279 18531 6459 1 25 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.653 0.748 18531 6460 1 25 . 1 1 42 42 VAL H H 42 8.250 8.250 7.824 0.426 18531 6461 1 25 . 1 1 43 43 TRP N N 43 130.700 130.700 127.817 2.883 18531 6462 1 25 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.725 -0.365 18531 6463 1 25 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.872 1.728 18531 6464 1 25 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.686 -2.486 18531 6465 1 25 . 1 1 43 43 TRP H H 43 9.360 9.360 8.679 0.681 18531 6466 1 25 . 1 1 44 44 THR N N 44 114.500 114.500 114.270 0.230 18531 6467 1 25 . 1 1 44 44 THR HA H 44 4.830 4.830 4.710 0.120 18531 6468 1 25 . 1 1 44 44 THR CA C 44 60.300 60.300 61.078 -0.778 18531 6469 1 25 . 1 1 44 44 THR CB C 44 72.100 72.100 71.713 0.387 18531 6470 1 25 . 1 1 44 44 THR H H 44 9.400 9.400 8.580 0.820 18531 6471 1 25 . 1 1 45 45 TYR N N 45 120.100 120.100 125.095 -4.995 18531 6472 1 25 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.094 0.876 18531 6473 1 25 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.964 1.036 18531 6474 1 25 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.408 1.192 18531 6475 1 25 . 1 1 45 45 TYR H H 45 8.580 8.580 8.598 -0.018 18531 6476 1 25 . 1 1 46 46 ASP N N 46 128.300 128.300 128.928 -0.628 18531 6477 1 25 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.452 0.128 18531 6478 1 25 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.824 0.076 18531 6479 1 25 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.387 1.713 18531 6480 1 25 . 1 1 46 46 ASP H H 46 7.580 7.580 7.862 -0.282 18531 6481 1 25 . 1 1 47 47 ASP N N 47 124.800 124.800 124.688 0.112 18531 6482 1 25 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.337 -0.227 18531 6483 1 25 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.599 -0.099 18531 6484 1 25 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.376 1.724 18531 6485 1 25 . 1 1 47 47 ASP H H 47 8.590 8.590 8.028 0.562 18531 6486 1 25 . 1 1 48 48 ALA N N 48 119.700 119.700 123.213 -3.513 18531 6487 1 25 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.024 0.066 18531 6488 1 25 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.667 0.333 18531 6489 1 25 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.779 -0.479 18531 6490 1 25 . 1 1 48 48 ALA H H 48 8.340 8.340 7.778 0.562 18531 6491 1 25 . 1 1 49 49 THR N N 49 103.200 103.200 106.508 -3.308 18531 6492 1 25 . 1 1 49 49 THR HA H 49 4.390 4.390 4.484 -0.094 18531 6493 1 25 . 1 1 49 49 THR CA C 49 60.200 60.200 60.026 0.174 18531 6494 1 25 . 1 1 49 49 THR CB C 49 70.000 70.000 68.726 1.274 18531 6495 1 25 . 1 1 49 49 THR H H 49 7.000 7.000 7.718 -0.718 18531 6496 1 25 . 1 1 50 50 LYS N N 50 123.100 123.100 120.391 2.709 18531 6497 1 25 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.162 0.028 18531 6498 1 25 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.474 -0.874 18531 6499 1 25 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.496 -0.896 18531 6500 1 25 . 1 1 50 50 LYS H H 50 7.860 7.860 7.760 0.100 18531 6501 1 25 . 1 1 51 51 THR N N 51 111.200 111.200 114.951 -3.751 18531 6502 1 25 . 1 1 51 51 THR HA H 51 5.490 5.490 5.275 0.215 18531 6503 1 25 . 1 1 51 51 THR CA C 51 62.300 62.300 62.693 -0.393 18531 6504 1 25 . 1 1 51 51 THR CB C 51 72.100 72.100 71.600 0.500 18531 6505 1 25 . 1 1 51 51 THR H H 51 7.390 7.390 7.500 -0.110 18531 6506 1 25 . 1 1 52 52 PHE N N 52 131.000 131.000 126.721 4.279 18531 6507 1 25 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.588 0.042 18531 6508 1 25 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.753 1.547 18531 6509 1 25 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.850 0.750 18531 6510 1 25 . 1 1 52 52 PHE H H 52 10.390 10.390 9.633 0.757 18531 6511 1 25 . 1 1 53 53 THR N N 53 117.400 117.400 117.557 -0.157 18531 6512 1 25 . 1 1 53 53 THR HA H 53 5.270 5.270 4.461 0.809 18531 6513 1 25 . 1 1 53 53 THR CA C 53 61.200 61.200 61.673 -0.473 18531 6514 1 25 . 1 1 53 53 THR CB C 53 71.000 71.000 70.663 0.337 18531 6515 1 25 . 1 1 53 53 THR H H 53 9.180 9.180 8.516 0.664 18531 6516 1 25 . 1 1 54 54 VAL N N 54 123.000 123.000 127.870 -4.870 18531 6517 1 25 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.926 0.534 18531 6518 1 25 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.010 -0.910 18531 6519 1 25 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.129 -0.829 18531 6520 1 25 . 1 1 54 54 VAL H H 54 8.280 8.280 7.803 0.477 18531 6521 1 25 . 1 1 55 55 THR N N 55 123.900 123.900 124.051 -0.151 18531 6522 1 25 . 1 1 55 55 THR HA H 55 4.700 4.700 4.554 0.146 18531 6523 1 25 . 1 1 55 55 THR CA C 55 61.200 61.200 59.805 1.395 18531 6524 1 25 . 1 1 55 55 THR CB C 55 70.700 70.700 70.708 -0.008 18531 6525 1 25 . 1 1 55 55 THR H H 55 8.320 8.320 8.127 0.193 18531 6526 1 26 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.407 0.643 18531 6527 1 26 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.127 0.473 18531 6528 1 26 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.475 -0.775 18531 6529 1 26 . 1 1 2 2 GLN H H 2 8.410 8.410 8.226 0.184 18531 6530 1 26 . 1 1 3 3 TYR N N 3 124.000 124.000 123.335 0.665 18531 6531 1 26 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.152 0.208 18531 6532 1 26 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.370 1.730 18531 6533 1 26 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.023 3.576 18531 6534 1 26 . 1 1 3 3 TYR H H 3 9.070 9.070 9.058 0.012 18531 6535 1 26 . 1 1 4 4 LYS N N 4 122.500 122.500 123.842 -1.342 18531 6536 1 26 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.782 0.438 18531 6537 1 26 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.138 -0.138 18531 6538 1 26 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.679 1.321 18531 6539 1 26 . 1 1 4 4 LYS H H 4 9.100 9.100 8.495 0.605 18531 6540 1 26 . 1 1 5 5 LEU N N 5 126.400 126.400 127.812 -1.412 18531 6541 1 26 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.703 -0.733 18531 6542 1 26 . 1 1 5 5 LEU CA C 5 52.800 52.800 52.859 -0.059 18531 6543 1 26 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.329 -3.729 18531 6544 1 26 . 1 1 5 5 LEU H H 5 8.620 8.620 8.693 -0.073 18531 6545 1 26 . 1 1 6 6 VAL N N 6 127.000 127.000 125.871 1.129 18531 6546 1 26 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.290 -0.130 18531 6547 1 26 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.564 0.736 18531 6548 1 26 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.498 -0.798 18531 6549 1 26 . 1 1 6 6 VAL H H 6 9.190 9.190 7.843 1.347 18531 6550 1 26 . 1 1 7 7 ILE N N 7 125.400 125.400 128.550 -3.150 18531 6551 1 26 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.132 -0.042 18531 6552 1 26 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.927 -0.227 18531 6553 1 26 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.459 0.541 18531 6554 1 26 . 1 1 7 7 ILE H H 7 8.800 8.800 8.588 0.212 18531 6555 1 26 . 1 1 8 8 ASN N N 8 128.900 128.900 127.596 1.304 18531 6556 1 26 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.995 0.285 18531 6557 1 26 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.270 -1.470 18531 6558 1 26 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.691 -0.592 18531 6559 1 26 . 1 1 8 8 ASN H H 8 8.990 8.990 7.922 1.068 18531 6560 1 26 . 1 1 9 9 GLY N N 9 110.200 110.200 107.345 2.855 18531 6561 1 26 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.349 0.351 18531 6562 1 26 . 1 1 9 9 GLY H H 9 7.920 7.920 8.079 -0.159 18531 6563 1 26 . 1 1 10 10 LYS N N 10 120.700 120.700 121.436 -0.736 18531 6564 1 26 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.050 0.010 18531 6565 1 26 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.629 0.571 18531 6566 1 26 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.028 0.872 18531 6567 1 26 . 1 1 10 10 LYS H H 10 9.520 9.520 8.636 0.884 18531 6568 1 26 . 1 1 11 11 THR N N 11 108.900 108.900 109.386 -0.486 18531 6569 1 26 . 1 1 11 11 THR HA H 11 4.360 4.360 4.349 0.011 18531 6570 1 26 . 1 1 11 11 THR CA C 11 62.000 62.000 61.689 0.311 18531 6571 1 26 . 1 1 11 11 THR CB C 11 69.800 69.800 70.445 -0.645 18531 6572 1 26 . 1 1 11 11 THR H H 11 8.790 8.790 7.869 0.921 18531 6573 1 26 . 1 1 12 12 LEU N N 12 125.700 125.700 123.585 2.115 18531 6574 1 26 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.547 -0.107 18531 6575 1 26 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.445 0.555 18531 6576 1 26 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.441 -0.142 18531 6577 1 26 . 1 1 12 12 LEU H H 12 7.580 7.580 7.978 -0.398 18531 6578 1 26 . 1 1 13 13 LYS N N 13 123.500 123.500 124.675 -1.175 18531 6579 1 26 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.956 0.164 18531 6580 1 26 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.195 -1.295 18531 6581 1 26 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.743 -0.943 18531 6582 1 26 . 1 1 13 13 LYS H H 13 8.140 8.140 8.457 -0.317 18531 6583 1 26 . 1 1 14 14 GLY N N 14 109.100 109.100 110.646 -1.546 18531 6584 1 26 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.932 -0.732 18531 6585 1 26 . 1 1 14 14 GLY H H 14 8.340 8.340 8.817 -0.477 18531 6586 1 26 . 1 1 15 15 GLU N N 15 118.200 118.200 118.910 -0.710 18531 6587 1 26 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.809 0.791 18531 6588 1 26 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.193 -1.693 18531 6589 1 26 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.599 0.202 18531 6590 1 26 . 1 1 15 15 GLU H H 15 8.390 8.390 8.575 -0.185 18531 6591 1 26 . 1 1 16 16 THR N N 16 115.600 115.600 117.521 -1.921 18531 6592 1 26 . 1 1 16 16 THR HA H 16 4.730 4.730 4.811 -0.081 18531 6593 1 26 . 1 1 16 16 THR CA C 16 60.600 60.600 60.919 -0.319 18531 6594 1 26 . 1 1 16 16 THR CB C 16 69.500 69.500 70.337 -0.837 18531 6595 1 26 . 1 1 16 16 THR H H 16 8.820 8.820 8.195 0.624 18531 6596 1 26 . 1 1 17 17 THR N N 17 111.800 111.800 114.704 -2.904 18531 6597 1 26 . 1 1 17 17 THR HA H 17 5.790 5.790 5.546 0.244 18531 6598 1 26 . 1 1 17 17 THR CA C 17 59.800 59.800 59.997 -0.197 18531 6599 1 26 . 1 1 17 17 THR CB C 17 73.100 73.100 72.167 0.933 18531 6600 1 26 . 1 1 17 17 THR H H 17 8.140 8.140 8.219 -0.079 18531 6601 1 26 . 1 1 18 18 THR N N 18 115.100 115.100 114.621 0.479 18531 6602 1 26 . 1 1 18 18 THR HA H 18 4.640 4.640 4.544 0.096 18531 6603 1 26 . 1 1 18 18 THR CA C 18 61.900 61.900 61.250 0.650 18531 6604 1 26 . 1 1 18 18 THR CB C 18 70.000 70.000 70.411 -0.411 18531 6605 1 26 . 1 1 18 18 THR H H 18 8.930 8.930 8.672 0.258 18531 6606 1 26 . 1 1 19 19 LYS N N 19 124.300 124.300 125.981 -1.681 18531 6607 1 26 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.391 0.939 18531 6608 1 26 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.124 -0.124 18531 6609 1 26 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.012 -0.212 18531 6610 1 26 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531 6611 1 26 . 1 1 20 20 ALA N N 20 124.600 124.600 125.463 -0.863 18531 6612 1 26 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.513 0.267 18531 6613 1 26 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.461 -0.561 18531 6614 1 26 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.234 2.566 18531 6615 1 26 . 1 1 20 20 ALA H H 20 9.110 9.110 7.742 1.368 18531 6616 1 26 . 1 1 21 21 VAL N N 21 115.300 115.300 119.347 -4.047 18531 6617 1 26 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.194 -0.084 18531 6618 1 26 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.224 -0.924 18531 6619 1 26 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.814 0.387 18531 6620 1 26 . 1 1 21 21 VAL H H 21 8.480 8.480 8.544 -0.064 18531 6621 1 26 . 1 1 22 22 ASP N N 22 115.200 115.200 119.338 -4.138 18531 6622 1 26 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.753 -0.043 18531 6623 1 26 . 1 1 22 22 ASP CA C 22 52.400 52.400 54.053 -1.653 18531 6624 1 26 . 1 1 22 22 ASP CB C 22 42.200 42.200 43.036 -0.836 18531 6625 1 26 . 1 1 22 22 ASP H H 22 7.310 7.310 7.695 -0.385 18531 6626 1 26 . 1 1 23 23 ALA N N 23 121.000 121.000 126.795 -5.795 18531 6627 1 26 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.848 -0.508 18531 6628 1 26 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.113 -0.213 18531 6629 1 26 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.931 -1.431 18531 6630 1 26 . 1 1 23 23 ALA H H 23 8.370 8.370 8.878 -0.508 18531 6631 1 26 . 1 1 24 24 GLU N N 24 118.900 118.900 115.984 2.916 18531 6632 1 26 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.309 -0.449 18531 6633 1 26 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.654 1.046 18531 6634 1 26 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.013 0.087 18531 6635 1 26 . 1 1 24 24 GLU H H 24 8.410 8.410 9.081 -0.671 18531 6636 1 26 . 1 1 25 25 THR N N 25 117.400 117.400 116.256 1.144 18531 6637 1 26 . 1 1 25 25 THR HA H 25 3.670 3.670 4.060 -0.390 18531 6638 1 26 . 1 1 25 25 THR CA C 25 66.800 66.800 66.290 0.511 18531 6639 1 26 . 1 1 25 25 THR CB C 25 68.000 68.000 68.750 -0.750 18531 6640 1 26 . 1 1 25 25 THR H H 25 8.380 8.380 7.515 0.865 18531 6641 1 26 . 1 1 26 26 ALA N N 26 125.100 125.100 123.863 1.237 18531 6642 1 26 . 1 1 26 26 ALA HA H 26 3.190 3.190 4.033 -0.843 18531 6643 1 26 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.544 0.456 18531 6644 1 26 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.252 -0.952 18531 6645 1 26 . 1 1 26 26 ALA H H 26 7.220 7.220 7.839 -0.619 18531 6646 1 26 . 1 1 27 27 GLU N N 27 117.400 117.400 118.347 -0.947 18531 6647 1 26 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.795 -1.205 18531 6648 1 26 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.697 0.003 18531 6649 1 26 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.312 -0.112 18531 6650 1 26 . 1 1 27 27 GLU H H 27 8.370 8.370 7.869 0.501 18531 6651 1 26 . 1 1 28 28 LYS N N 28 116.300 116.300 118.153 -1.853 18531 6652 1 26 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.059 -0.389 18531 6653 1 26 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.084 0.516 18531 6654 1 26 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.125 0.075 18531 6655 1 26 . 1 1 28 28 LYS H H 28 7.170 7.170 7.627 -0.457 18531 6656 1 26 . 1 1 29 29 ALA N N 29 122.000 122.000 122.390 -0.390 18531 6657 1 26 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.223 -0.133 18531 6658 1 26 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.472 0.228 18531 6659 1 26 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.236 -0.736 18531 6660 1 26 . 1 1 29 29 ALA H H 29 7.200 7.200 7.499 -0.299 18531 6661 1 26 . 1 1 30 30 PHE N N 30 119.600 119.600 118.635 0.965 18531 6662 1 26 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.296 0.484 18531 6663 1 26 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.325 -3.725 18531 6664 1 26 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.581 -1.181 18531 6665 1 26 . 1 1 30 30 PHE H H 30 8.610 8.610 8.582 0.028 18531 6666 1 26 . 1 1 31 31 LYS N N 31 122.800 122.800 118.195 4.605 18531 6667 1 26 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.752 0.338 18531 6668 1 26 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.237 0.463 18531 6669 1 26 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.451 0.149 18531 6670 1 26 . 1 1 31 31 LYS H H 31 9.030 9.030 7.984 1.046 18531 6671 1 26 . 1 1 32 32 GLN N N 32 119.600 119.600 119.244 0.356 18531 6672 1 26 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.036 -0.006 18531 6673 1 26 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.462 -0.762 18531 6674 1 26 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.568 -0.468 18531 6675 1 26 . 1 1 32 32 GLN H H 32 7.510 7.510 7.737 -0.227 18531 6676 1 26 . 1 1 33 33 TYR N N 33 120.400 120.400 120.503 -0.103 18531 6677 1 26 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.097 0.153 18531 6678 1 26 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.494 0.306 18531 6679 1 26 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.397 0.303 18531 6680 1 26 . 1 1 33 33 TYR H H 33 8.080 8.080 7.741 0.339 18531 6681 1 26 . 1 1 34 34 ALA N N 34 122.300 122.300 121.681 0.619 18531 6682 1 26 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.162 -0.382 18531 6683 1 26 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.298 0.802 18531 6684 1 26 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.742 -1.042 18531 6685 1 26 . 1 1 34 34 ALA H H 34 9.210 9.210 8.032 1.178 18531 6686 1 26 . 1 1 35 35 ASN N N 35 117.700 117.700 117.716 -0.016 18531 6687 1 26 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.467 -0.007 18531 6688 1 26 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.887 1.113 18531 6689 1 26 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.058 0.942 18531 6690 1 26 . 1 1 35 35 ASN H H 35 8.390 8.390 8.413 -0.023 18531 6691 1 26 . 1 1 36 36 ASP N N 36 121.100 121.100 121.065 0.035 18531 6692 1 26 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.433 -0.073 18531 6693 1 26 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.844 -0.144 18531 6694 1 26 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.434 -0.433 18531 6695 1 26 . 1 1 36 36 ASP H H 36 8.830 8.830 8.777 0.053 18531 6696 1 26 . 1 1 37 37 ASN N N 37 115.200 115.200 113.843 1.357 18531 6697 1 26 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.747 -0.137 18531 6698 1 26 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.355 0.345 18531 6699 1 26 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.255 0.745 18531 6700 1 26 . 1 1 37 37 ASN H H 37 7.390 7.390 7.666 -0.276 18531 6701 1 26 . 1 1 38 38 GLY N N 38 108.200 108.200 108.506 -0.306 18531 6702 1 26 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.904 0.496 18531 6703 1 26 . 1 1 38 38 GLY H H 38 7.800 7.800 8.138 -0.338 18531 6704 1 26 . 1 1 39 39 VAL N N 39 120.800 120.800 121.308 -0.508 18531 6705 1 26 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.164 -0.024 18531 6706 1 26 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.046 -0.346 18531 6707 1 26 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.196 2.104 18531 6708 1 26 . 1 1 39 39 VAL H H 39 8.120 8.120 8.077 0.043 18531 6709 1 26 . 1 1 40 40 ASP N N 40 128.000 128.000 127.825 0.175 18531 6710 1 26 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.130 -0.240 18531 6711 1 26 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.943 -0.143 18531 6712 1 26 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.856 -1.756 18531 6713 1 26 . 1 1 40 40 ASP H H 40 8.770 8.770 8.045 0.725 18531 6714 1 26 . 1 1 41 41 GLY N N 41 107.100 107.100 108.661 -1.561 18531 6715 1 26 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.288 0.112 18531 6716 1 26 . 1 1 41 41 GLY H H 41 7.910 7.910 8.327 -0.417 18531 6717 1 26 . 1 1 42 42 VAL N N 42 120.300 120.300 122.809 -2.509 18531 6718 1 26 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.318 0.062 18531 6719 1 26 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.460 -0.360 18531 6720 1 26 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.086 0.314 18531 6721 1 26 . 1 1 42 42 VAL H H 42 8.250 8.250 8.238 0.012 18531 6722 1 26 . 1 1 43 43 TRP N N 43 130.700 130.700 128.205 2.495 18531 6723 1 26 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.309 0.051 18531 6724 1 26 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.180 1.420 18531 6725 1 26 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.337 -2.137 18531 6726 1 26 . 1 1 43 43 TRP H H 43 9.360 9.360 8.565 0.795 18531 6727 1 26 . 1 1 44 44 THR N N 44 114.500 114.500 116.804 -2.304 18531 6728 1 26 . 1 1 44 44 THR HA H 44 4.830 4.830 4.638 0.192 18531 6729 1 26 . 1 1 44 44 THR CA C 44 60.300 60.300 61.405 -1.105 18531 6730 1 26 . 1 1 44 44 THR CB C 44 72.100 72.100 70.530 1.570 18531 6731 1 26 . 1 1 44 44 THR H H 44 9.400 9.400 8.642 0.758 18531 6732 1 26 . 1 1 45 45 TYR N N 45 120.100 120.100 128.497 -8.397 18531 6733 1 26 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.801 0.169 18531 6734 1 26 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.374 1.625 18531 6735 1 26 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.151 1.449 18531 6736 1 26 . 1 1 45 45 TYR H H 45 8.580 8.580 8.764 -0.184 18531 6737 1 26 . 1 1 46 46 ASP N N 46 128.300 128.300 129.310 -1.010 18531 6738 1 26 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.484 0.096 18531 6739 1 26 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.659 0.241 18531 6740 1 26 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.478 1.622 18531 6741 1 26 . 1 1 46 46 ASP H H 46 7.580 7.580 7.892 -0.312 18531 6742 1 26 . 1 1 47 47 ASP N N 47 124.800 124.800 125.448 -0.648 18531 6743 1 26 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.158 -0.048 18531 6744 1 26 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.773 -0.273 18531 6745 1 26 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.229 1.871 18531 6746 1 26 . 1 1 47 47 ASP H H 47 8.590 8.590 8.105 0.485 18531 6747 1 26 . 1 1 48 48 ALA N N 48 119.700 119.700 122.471 -2.771 18531 6748 1 26 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.028 0.062 18531 6749 1 26 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.474 0.526 18531 6750 1 26 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.966 -0.666 18531 6751 1 26 . 1 1 48 48 ALA H H 48 8.340 8.340 7.771 0.569 18531 6752 1 26 . 1 1 49 49 THR N N 49 103.200 103.200 106.570 -3.370 18531 6753 1 26 . 1 1 49 49 THR HA H 49 4.390 4.390 4.415 -0.025 18531 6754 1 26 . 1 1 49 49 THR CA C 49 60.200 60.200 60.432 -0.232 18531 6755 1 26 . 1 1 49 49 THR CB C 49 70.000 70.000 68.925 1.075 18531 6756 1 26 . 1 1 49 49 THR H H 49 7.000 7.000 7.705 -0.705 18531 6757 1 26 . 1 1 50 50 LYS N N 50 123.100 123.100 119.135 3.965 18531 6758 1 26 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.904 0.286 18531 6759 1 26 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.430 -0.830 18531 6760 1 26 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.823 -1.224 18531 6761 1 26 . 1 1 50 50 LYS H H 50 7.860 7.860 7.748 0.112 18531 6762 1 26 . 1 1 51 51 THR N N 51 111.200 111.200 115.593 -4.393 18531 6763 1 26 . 1 1 51 51 THR HA H 51 5.490 5.490 5.060 0.430 18531 6764 1 26 . 1 1 51 51 THR CA C 51 62.300 62.300 62.264 0.036 18531 6765 1 26 . 1 1 51 51 THR CB C 51 72.100 72.100 70.952 1.148 18531 6766 1 26 . 1 1 51 51 THR H H 51 7.390 7.390 7.411 -0.021 18531 6767 1 26 . 1 1 52 52 PHE N N 52 131.000 131.000 127.992 3.008 18531 6768 1 26 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.513 0.117 18531 6769 1 26 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.091 1.209 18531 6770 1 26 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.890 1.710 18531 6771 1 26 . 1 1 52 52 PHE H H 52 10.390 10.390 9.353 1.037 18531 6772 1 26 . 1 1 53 53 THR N N 53 117.400 117.400 118.364 -0.964 18531 6773 1 26 . 1 1 53 53 THR HA H 53 5.270 5.270 4.391 0.879 18531 6774 1 26 . 1 1 53 53 THR CA C 53 61.200 61.200 61.010 0.190 18531 6775 1 26 . 1 1 53 53 THR CB C 53 71.000 71.000 70.524 0.476 18531 6776 1 26 . 1 1 53 53 THR H H 53 9.180 9.180 8.833 0.347 18531 6777 1 26 . 1 1 54 54 VAL N N 54 123.000 123.000 123.070 -0.070 18531 6778 1 26 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.505 0.955 18531 6779 1 26 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.079 -1.979 18531 6780 1 26 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.844 -1.544 18531 6781 1 26 . 1 1 54 54 VAL H H 54 8.280 8.280 7.633 0.647 18531 6782 1 26 . 1 1 55 55 THR N N 55 123.900 123.900 121.866 2.034 18531 6783 1 26 . 1 1 55 55 THR HA H 55 4.700 4.700 4.660 0.040 18531 6784 1 26 . 1 1 55 55 THR CA C 55 61.200 61.200 60.070 1.130 18531 6785 1 26 . 1 1 55 55 THR CB C 55 70.700 70.700 70.755 -0.055 18531 6786 1 26 . 1 1 55 55 THR H H 55 8.320 8.320 7.701 0.619 18531 6787 1 27 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.781 0.269 18531 6788 1 27 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.495 1.105 18531 6789 1 27 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.961 0.739 18531 6790 1 27 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531 6791 1 27 . 1 1 3 3 TYR N N 3 124.000 124.000 122.514 1.486 18531 6792 1 27 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.129 0.231 18531 6793 1 27 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.211 -0.111 18531 6794 1 27 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.310 2.290 18531 6795 1 27 . 1 1 3 3 TYR H H 3 9.070 9.070 9.112 -0.042 18531 6796 1 27 . 1 1 4 4 LYS N N 4 122.500 122.500 121.924 0.576 18531 6797 1 27 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.138 0.082 18531 6798 1 27 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.012 -0.012 18531 6799 1 27 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.689 -0.689 18531 6800 1 27 . 1 1 4 4 LYS H H 4 9.100 9.100 8.525 0.575 18531 6801 1 27 . 1 1 5 5 LEU N N 5 126.400 126.400 124.760 1.640 18531 6802 1 27 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.767 0.203 18531 6803 1 27 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.302 -0.502 18531 6804 1 27 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.309 -3.708 18531 6805 1 27 . 1 1 5 5 LEU H H 5 8.620 8.620 8.703 -0.083 18531 6806 1 27 . 1 1 6 6 VAL N N 6 127.000 127.000 125.472 1.528 18531 6807 1 27 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.253 -0.093 18531 6808 1 27 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.916 0.384 18531 6809 1 27 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.803 -0.103 18531 6810 1 27 . 1 1 6 6 VAL H H 6 9.190 9.190 8.159 1.031 18531 6811 1 27 . 1 1 7 7 ILE N N 7 125.400 125.400 129.136 -3.736 18531 6812 1 27 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.106 -0.016 18531 6813 1 27 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.023 -0.323 18531 6814 1 27 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.273 0.727 18531 6815 1 27 . 1 1 7 7 ILE H H 7 8.800 8.800 8.935 -0.135 18531 6816 1 27 . 1 1 8 8 ASN N N 8 128.900 128.900 127.373 1.527 18531 6817 1 27 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.025 0.255 18531 6818 1 27 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.297 -1.497 18531 6819 1 27 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.640 -0.540 18531 6820 1 27 . 1 1 8 8 ASN H H 8 8.990 8.990 7.989 1.001 18531 6821 1 27 . 1 1 9 9 GLY N N 9 110.200 110.200 107.513 2.687 18531 6822 1 27 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.160 0.540 18531 6823 1 27 . 1 1 9 9 GLY H H 9 7.920 7.920 8.338 -0.418 18531 6824 1 27 . 1 1 10 10 LYS N N 10 120.700 120.700 122.863 -2.163 18531 6825 1 27 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.054 0.006 18531 6826 1 27 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.998 0.202 18531 6827 1 27 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.580 0.320 18531 6828 1 27 . 1 1 10 10 LYS H H 10 9.520 9.520 8.846 0.674 18531 6829 1 27 . 1 1 11 11 THR N N 11 108.900 108.900 108.366 0.534 18531 6830 1 27 . 1 1 11 11 THR HA H 11 4.360 4.360 4.413 -0.053 18531 6831 1 27 . 1 1 11 11 THR CA C 11 62.000 62.000 62.271 -0.271 18531 6832 1 27 . 1 1 11 11 THR CB C 11 69.800 69.800 70.537 -0.737 18531 6833 1 27 . 1 1 11 11 THR H H 11 8.790 8.790 7.964 0.826 18531 6834 1 27 . 1 1 12 12 LEU N N 12 125.700 125.700 123.684 2.016 18531 6835 1 27 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.539 -0.099 18531 6836 1 27 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.547 0.453 18531 6837 1 27 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.477 -0.177 18531 6838 1 27 . 1 1 12 12 LEU H H 12 7.580 7.580 8.227 -0.647 18531 6839 1 27 . 1 1 13 13 LYS N N 13 123.500 123.500 124.569 -1.069 18531 6840 1 27 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.176 -0.056 18531 6841 1 27 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.216 -1.316 18531 6842 1 27 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.345 -0.545 18531 6843 1 27 . 1 1 13 13 LYS H H 13 8.140 8.140 8.505 -0.365 18531 6844 1 27 . 1 1 14 14 GLY N N 14 109.100 109.100 112.080 -2.980 18531 6845 1 27 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.781 -0.581 18531 6846 1 27 . 1 1 14 14 GLY H H 14 8.340 8.340 8.882 -0.542 18531 6847 1 27 . 1 1 15 15 GLU N N 15 118.200 118.200 118.279 -0.079 18531 6848 1 27 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.876 0.724 18531 6849 1 27 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.129 -0.629 18531 6850 1 27 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.878 -0.078 18531 6851 1 27 . 1 1 15 15 GLU H H 15 8.390 8.390 8.534 -0.144 18531 6852 1 27 . 1 1 16 16 THR N N 16 115.600 115.600 114.489 1.111 18531 6853 1 27 . 1 1 16 16 THR HA H 16 4.730 4.730 4.701 0.029 18531 6854 1 27 . 1 1 16 16 THR CA C 16 60.600 60.600 61.229 -0.629 18531 6855 1 27 . 1 1 16 16 THR CB C 16 69.500 69.500 70.014 -0.514 18531 6856 1 27 . 1 1 16 16 THR H H 16 8.820 8.820 8.174 0.646 18531 6857 1 27 . 1 1 17 17 THR N N 17 111.800 111.800 116.038 -4.238 18531 6858 1 27 . 1 1 17 17 THR HA H 17 5.790 5.790 5.514 0.276 18531 6859 1 27 . 1 1 17 17 THR CA C 17 59.800 59.800 60.151 -0.351 18531 6860 1 27 . 1 1 17 17 THR CB C 17 73.100 73.100 71.919 1.181 18531 6861 1 27 . 1 1 17 17 THR H H 17 8.140 8.140 8.318 -0.178 18531 6862 1 27 . 1 1 18 18 THR N N 18 115.100 115.100 114.410 0.690 18531 6863 1 27 . 1 1 18 18 THR HA H 18 4.640 4.640 4.554 0.086 18531 6864 1 27 . 1 1 18 18 THR CA C 18 61.900 61.900 60.921 0.979 18531 6865 1 27 . 1 1 18 18 THR CB C 18 70.000 70.000 69.350 0.650 18531 6866 1 27 . 1 1 18 18 THR H H 18 8.930 8.930 8.823 0.107 18531 6867 1 27 . 1 1 19 19 LYS N N 19 124.300 124.300 120.376 3.924 18531 6868 1 27 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.930 0.400 18531 6869 1 27 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.808 -0.808 18531 6870 1 27 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.367 -1.567 18531 6871 1 27 . 1 1 19 19 LYS H H 19 7.950 7.950 8.262 -0.312 18531 6872 1 27 . 1 1 20 20 ALA N N 20 124.600 124.600 125.880 -1.280 18531 6873 1 27 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.754 0.026 18531 6874 1 27 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.932 -1.032 18531 6875 1 27 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.334 2.466 18531 6876 1 27 . 1 1 20 20 ALA H H 20 9.110 9.110 8.923 0.187 18531 6877 1 27 . 1 1 21 21 VAL N N 21 115.300 115.300 116.015 -0.715 18531 6878 1 27 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.870 0.240 18531 6879 1 27 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.682 -1.382 18531 6880 1 27 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.576 0.624 18531 6881 1 27 . 1 1 21 21 VAL H H 21 8.480 8.480 8.715 -0.235 18531 6882 1 27 . 1 1 22 22 ASP N N 22 115.200 115.200 115.038 0.162 18531 6883 1 27 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.835 -0.125 18531 6884 1 27 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.433 -0.033 18531 6885 1 27 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.462 -0.262 18531 6886 1 27 . 1 1 22 22 ASP H H 22 7.310 7.310 7.603 -0.293 18531 6887 1 27 . 1 1 23 23 ALA N N 23 121.000 121.000 122.079 -1.079 18531 6888 1 27 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.826 -0.486 18531 6889 1 27 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.680 0.220 18531 6890 1 27 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.679 -1.179 18531 6891 1 27 . 1 1 23 23 ALA H H 23 8.370 8.370 8.681 -0.311 18531 6892 1 27 . 1 1 24 24 GLU N N 24 118.900 118.900 119.239 -0.339 18531 6893 1 27 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.932 -0.072 18531 6894 1 27 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.025 0.675 18531 6895 1 27 . 1 1 24 24 GLU CB C 24 29.100 29.100 27.804 1.296 18531 6896 1 27 . 1 1 24 24 GLU H H 24 8.410 8.410 8.628 -0.218 18531 6897 1 27 . 1 1 25 25 THR N N 25 117.400 117.400 116.534 0.866 18531 6898 1 27 . 1 1 25 25 THR HA H 25 3.670 3.670 4.012 -0.342 18531 6899 1 27 . 1 1 25 25 THR CA C 25 66.800 66.800 66.230 0.570 18531 6900 1 27 . 1 1 25 25 THR CB C 25 68.000 68.000 68.588 -0.588 18531 6901 1 27 . 1 1 25 25 THR H H 25 8.380 8.380 7.724 0.656 18531 6902 1 27 . 1 1 26 26 ALA N N 26 125.100 125.100 124.267 0.833 18531 6903 1 27 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.856 -0.666 18531 6904 1 27 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.788 0.212 18531 6905 1 27 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.869 -0.569 18531 6906 1 27 . 1 1 26 26 ALA H H 26 7.220 7.220 7.414 -0.194 18531 6907 1 27 . 1 1 27 27 GLU N N 27 117.400 117.400 117.305 0.095 18531 6908 1 27 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.751 -1.161 18531 6909 1 27 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.078 0.622 18531 6910 1 27 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.485 -0.285 18531 6911 1 27 . 1 1 27 27 GLU H H 27 8.370 8.370 8.400 -0.030 18531 6912 1 27 . 1 1 28 28 LYS N N 28 116.300 116.300 118.880 -2.580 18531 6913 1 27 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.090 -0.420 18531 6914 1 27 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.120 1.480 18531 6915 1 27 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.227 -0.027 18531 6916 1 27 . 1 1 28 28 LYS H H 28 7.170 7.170 7.466 -0.296 18531 6917 1 27 . 1 1 29 29 ALA N N 29 122.000 122.000 122.433 -0.433 18531 6918 1 27 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.104 -0.014 18531 6919 1 27 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.590 0.111 18531 6920 1 27 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.339 -0.839 18531 6921 1 27 . 1 1 29 29 ALA H H 29 7.200 7.200 7.171 0.029 18531 6922 1 27 . 1 1 30 30 PHE N N 30 119.600 119.600 118.368 1.232 18531 6923 1 27 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.117 0.663 18531 6924 1 27 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.715 -4.115 18531 6925 1 27 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.316 -0.916 18531 6926 1 27 . 1 1 30 30 PHE H H 30 8.610 8.610 8.687 -0.077 18531 6927 1 27 . 1 1 31 31 LYS N N 31 122.800 122.800 117.936 4.864 18531 6928 1 27 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.554 0.536 18531 6929 1 27 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.367 0.334 18531 6930 1 27 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.858 -0.258 18531 6931 1 27 . 1 1 31 31 LYS H H 31 9.030 9.030 7.605 1.425 18531 6932 1 27 . 1 1 32 32 GLN N N 32 119.600 119.600 118.953 0.647 18531 6933 1 27 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.050 -0.020 18531 6934 1 27 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.471 -0.771 18531 6935 1 27 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.519 -0.419 18531 6936 1 27 . 1 1 32 32 GLN H H 32 7.510 7.510 7.866 -0.356 18531 6937 1 27 . 1 1 33 33 TYR N N 33 120.400 120.400 120.339 0.061 18531 6938 1 27 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.111 0.139 18531 6939 1 27 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.430 0.370 18531 6940 1 27 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.241 0.459 18531 6941 1 27 . 1 1 33 33 TYR H H 33 8.080 8.080 7.763 0.317 18531 6942 1 27 . 1 1 34 34 ALA N N 34 122.300 122.300 121.218 1.082 18531 6943 1 27 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.133 -0.353 18531 6944 1 27 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.228 0.872 18531 6945 1 27 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.685 -0.985 18531 6946 1 27 . 1 1 34 34 ALA H H 34 9.210 9.210 7.954 1.256 18531 6947 1 27 . 1 1 35 35 ASN N N 35 117.700 117.700 117.189 0.511 18531 6948 1 27 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.471 -0.011 18531 6949 1 27 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.986 1.014 18531 6950 1 27 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.080 0.920 18531 6951 1 27 . 1 1 35 35 ASN H H 35 8.390 8.390 8.035 0.355 18531 6952 1 27 . 1 1 36 36 ASP N N 36 121.100 121.100 120.628 0.472 18531 6953 1 27 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.377 -0.017 18531 6954 1 27 . 1 1 36 36 ASP CA C 36 56.700 56.700 57.111 -0.411 18531 6955 1 27 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.455 -0.455 18531 6956 1 27 . 1 1 36 36 ASP H H 36 8.830 8.830 8.750 0.080 18531 6957 1 27 . 1 1 37 37 ASN N N 37 115.200 115.200 114.018 1.182 18531 6958 1 27 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.731 -0.121 18531 6959 1 27 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.367 0.333 18531 6960 1 27 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.244 0.756 18531 6961 1 27 . 1 1 37 37 ASN H H 37 7.390 7.390 7.675 -0.285 18531 6962 1 27 . 1 1 38 38 GLY N N 38 108.200 108.200 108.495 -0.295 18531 6963 1 27 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.846 0.554 18531 6964 1 27 . 1 1 38 38 GLY H H 38 7.800 7.800 8.117 -0.317 18531 6965 1 27 . 1 1 39 39 VAL N N 39 120.800 120.800 121.344 -0.544 18531 6966 1 27 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.394 -0.255 18531 6967 1 27 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.182 -0.482 18531 6968 1 27 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.375 1.925 18531 6969 1 27 . 1 1 39 39 VAL H H 39 8.120 8.120 7.966 0.154 18531 6970 1 27 . 1 1 40 40 ASP N N 40 128.000 128.000 127.539 0.461 18531 6971 1 27 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.119 -0.229 18531 6972 1 27 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.657 0.142 18531 6973 1 27 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.742 -1.642 18531 6974 1 27 . 1 1 40 40 ASP H H 40 8.770 8.770 8.062 0.708 18531 6975 1 27 . 1 1 41 41 GLY N N 41 107.100 107.100 109.117 -2.017 18531 6976 1 27 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.402 -0.002 18531 6977 1 27 . 1 1 41 41 GLY H H 41 7.910 7.910 8.401 -0.491 18531 6978 1 27 . 1 1 42 42 VAL N N 42 120.300 120.300 123.382 -3.082 18531 6979 1 27 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.538 -0.158 18531 6980 1 27 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.974 1.126 18531 6981 1 27 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.905 0.495 18531 6982 1 27 . 1 1 42 42 VAL H H 42 8.250 8.250 7.967 0.283 18531 6983 1 27 . 1 1 43 43 TRP N N 43 130.700 130.700 129.965 0.735 18531 6984 1 27 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.792 -0.432 18531 6985 1 27 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.921 1.679 18531 6986 1 27 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.518 -2.318 18531 6987 1 27 . 1 1 43 43 TRP H H 43 9.360 9.360 8.644 0.716 18531 6988 1 27 . 1 1 44 44 THR N N 44 114.500 114.500 113.371 1.129 18531 6989 1 27 . 1 1 44 44 THR HA H 44 4.830 4.830 4.719 0.111 18531 6990 1 27 . 1 1 44 44 THR CA C 44 60.300 60.300 60.530 -0.230 18531 6991 1 27 . 1 1 44 44 THR CB C 44 72.100 72.100 71.938 0.162 18531 6992 1 27 . 1 1 44 44 THR H H 44 9.400 9.400 8.855 0.545 18531 6993 1 27 . 1 1 45 45 TYR N N 45 120.100 120.100 121.371 -1.271 18531 6994 1 27 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.368 0.602 18531 6995 1 27 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.285 -0.285 18531 6996 1 27 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.751 -0.151 18531 6997 1 27 . 1 1 45 45 TYR H H 45 8.580 8.580 8.401 0.179 18531 6998 1 27 . 1 1 46 46 ASP N N 46 128.300 128.300 127.630 0.670 18531 6999 1 27 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.554 0.026 18531 7000 1 27 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.018 -0.118 18531 7001 1 27 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.937 1.163 18531 7002 1 27 . 1 1 46 46 ASP H H 46 7.580 7.580 7.794 -0.214 18531 7003 1 27 . 1 1 47 47 ASP N N 47 124.800 124.800 125.742 -0.942 18531 7004 1 27 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.101 0.009 18531 7005 1 27 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.351 0.149 18531 7006 1 27 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.463 1.637 18531 7007 1 27 . 1 1 47 47 ASP H H 47 8.590 8.590 8.072 0.518 18531 7008 1 27 . 1 1 48 48 ALA N N 48 119.700 119.700 121.526 -1.826 18531 7009 1 27 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.022 0.068 18531 7010 1 27 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.590 0.410 18531 7011 1 27 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.823 -0.523 18531 7012 1 27 . 1 1 48 48 ALA H H 48 8.340 8.340 7.796 0.544 18531 7013 1 27 . 1 1 49 49 THR N N 49 103.200 103.200 107.544 -4.344 18531 7014 1 27 . 1 1 49 49 THR HA H 49 4.390 4.390 4.417 -0.027 18531 7015 1 27 . 1 1 49 49 THR CA C 49 60.200 60.200 60.107 0.093 18531 7016 1 27 . 1 1 49 49 THR CB C 49 70.000 70.000 68.894 1.106 18531 7017 1 27 . 1 1 49 49 THR H H 49 7.000 7.000 7.627 -0.627 18531 7018 1 27 . 1 1 50 50 LYS N N 50 123.100 123.100 119.707 3.393 18531 7019 1 27 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.049 0.141 18531 7020 1 27 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.781 -1.181 18531 7021 1 27 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.467 -0.867 18531 7022 1 27 . 1 1 50 50 LYS H H 50 7.860 7.860 7.938 -0.078 18531 7023 1 27 . 1 1 51 51 THR N N 51 111.200 111.200 114.098 -2.898 18531 7024 1 27 . 1 1 51 51 THR HA H 51 5.490 5.490 5.192 0.298 18531 7025 1 27 . 1 1 51 51 THR CA C 51 62.300 62.300 61.803 0.497 18531 7026 1 27 . 1 1 51 51 THR CB C 51 72.100 72.100 72.142 -0.042 18531 7027 1 27 . 1 1 51 51 THR H H 51 7.390 7.390 7.351 0.039 18531 7028 1 27 . 1 1 52 52 PHE N N 52 131.000 131.000 126.035 4.965 18531 7029 1 27 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.144 0.486 18531 7030 1 27 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.361 0.939 18531 7031 1 27 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.362 1.238 18531 7032 1 27 . 1 1 52 52 PHE H H 52 10.390 10.390 8.780 1.610 18531 7033 1 27 . 1 1 53 53 THR N N 53 117.400 117.400 115.141 2.259 18531 7034 1 27 . 1 1 53 53 THR HA H 53 5.270 5.270 4.430 0.840 18531 7035 1 27 . 1 1 53 53 THR CA C 53 61.200 61.200 61.902 -0.702 18531 7036 1 27 . 1 1 53 53 THR CB C 53 71.000 71.000 71.004 -0.004 18531 7037 1 27 . 1 1 53 53 THR H H 53 9.180 9.180 8.501 0.679 18531 7038 1 27 . 1 1 54 54 VAL N N 54 123.000 123.000 127.445 -4.445 18531 7039 1 27 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.872 0.588 18531 7040 1 27 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.831 -0.731 18531 7041 1 27 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.555 -0.255 18531 7042 1 27 . 1 1 54 54 VAL H H 54 8.280 8.280 7.804 0.476 18531 7043 1 27 . 1 1 55 55 THR N N 55 123.900 123.900 123.794 0.106 18531 7044 1 27 . 1 1 55 55 THR HA H 55 4.700 4.700 4.622 0.078 18531 7045 1 27 . 1 1 55 55 THR CA C 55 61.200 61.200 60.985 0.215 18531 7046 1 27 . 1 1 55 55 THR CB C 55 70.700 70.700 70.724 -0.024 18531 7047 1 27 . 1 1 55 55 THR H H 55 8.320 8.320 8.572 -0.252 18531 7048 1 28 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.447 0.603 18531 7049 1 28 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.413 0.187 18531 7050 1 28 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.630 -0.930 18531 7051 1 28 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531 7052 1 28 . 1 1 3 3 TYR N N 3 124.000 124.000 123.420 0.580 18531 7053 1 28 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.228 0.132 18531 7054 1 28 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.344 -0.244 18531 7055 1 28 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.577 3.023 18531 7056 1 28 . 1 1 3 3 TYR H H 3 9.070 9.070 8.916 0.154 18531 7057 1 28 . 1 1 4 4 LYS N N 4 122.500 122.500 121.583 0.917 18531 7058 1 28 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.879 0.341 18531 7059 1 28 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.785 0.215 18531 7060 1 28 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.873 0.127 18531 7061 1 28 . 1 1 4 4 LYS H H 4 9.100 9.100 9.194 -0.094 18531 7062 1 28 . 1 1 5 5 LEU N N 5 126.400 126.400 125.651 0.749 18531 7063 1 28 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.674 0.296 18531 7064 1 28 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.425 -1.625 18531 7065 1 28 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.175 -3.575 18531 7066 1 28 . 1 1 5 5 LEU H H 5 8.620 8.620 8.292 0.328 18531 7067 1 28 . 1 1 6 6 VAL N N 6 127.000 127.000 127.022 -0.022 18531 7068 1 28 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.325 -0.165 18531 7069 1 28 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.573 0.727 18531 7070 1 28 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.909 -0.209 18531 7071 1 28 . 1 1 6 6 VAL H H 6 9.190 9.190 7.872 1.318 18531 7072 1 28 . 1 1 7 7 ILE N N 7 125.400 125.400 128.822 -3.422 18531 7073 1 28 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.115 -0.025 18531 7074 1 28 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.052 -0.352 18531 7075 1 28 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.347 0.653 18531 7076 1 28 . 1 1 7 7 ILE H H 7 8.800 8.800 8.756 0.044 18531 7077 1 28 . 1 1 8 8 ASN N N 8 128.900 128.900 127.604 1.296 18531 7078 1 28 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.980 0.300 18531 7079 1 28 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.297 -1.497 18531 7080 1 28 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.659 -0.559 18531 7081 1 28 . 1 1 8 8 ASN H H 8 8.990 8.990 7.964 1.026 18531 7082 1 28 . 1 1 9 9 GLY N N 9 110.200 110.200 106.984 3.216 18531 7083 1 28 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.407 0.293 18531 7084 1 28 . 1 1 9 9 GLY H H 9 7.920 7.920 8.207 -0.287 18531 7085 1 28 . 1 1 10 10 LYS N N 10 120.700 120.700 122.943 -2.243 18531 7086 1 28 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.028 0.032 18531 7087 1 28 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.587 0.613 18531 7088 1 28 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.408 0.492 18531 7089 1 28 . 1 1 10 10 LYS H H 10 9.520 9.520 8.707 0.813 18531 7090 1 28 . 1 1 11 11 THR N N 11 108.900 108.900 108.428 0.472 18531 7091 1 28 . 1 1 11 11 THR HA H 11 4.360 4.360 4.314 0.046 18531 7092 1 28 . 1 1 11 11 THR CA C 11 62.000 62.000 62.658 -0.658 18531 7093 1 28 . 1 1 11 11 THR CB C 11 69.800 69.800 69.294 0.506 18531 7094 1 28 . 1 1 11 11 THR H H 11 8.790 8.790 7.511 1.279 18531 7095 1 28 . 1 1 12 12 LEU N N 12 125.700 125.700 123.794 1.906 18531 7096 1 28 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.625 -0.185 18531 7097 1 28 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.077 0.923 18531 7098 1 28 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.468 -0.168 18531 7099 1 28 . 1 1 12 12 LEU H H 12 7.580 7.580 7.763 -0.183 18531 7100 1 28 . 1 1 13 13 LYS N N 13 123.500 123.500 125.451 -1.951 18531 7101 1 28 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.998 0.122 18531 7102 1 28 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.293 -1.393 18531 7103 1 28 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.510 -0.710 18531 7104 1 28 . 1 1 13 13 LYS H H 13 8.140 8.140 8.514 -0.374 18531 7105 1 28 . 1 1 14 14 GLY N N 14 109.100 109.100 111.156 -2.056 18531 7106 1 28 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.963 -0.763 18531 7107 1 28 . 1 1 14 14 GLY H H 14 8.340 8.340 8.763 -0.423 18531 7108 1 28 . 1 1 15 15 GLU N N 15 118.200 118.200 118.940 -0.740 18531 7109 1 28 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.310 0.290 18531 7110 1 28 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.497 -0.997 18531 7111 1 28 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.431 0.368 18531 7112 1 28 . 1 1 15 15 GLU H H 15 8.390 8.390 8.485 -0.095 18531 7113 1 28 . 1 1 16 16 THR N N 16 115.600 115.600 113.548 2.052 18531 7114 1 28 . 1 1 16 16 THR HA H 16 4.730 4.730 4.524 0.205 18531 7115 1 28 . 1 1 16 16 THR CA C 16 60.600 60.600 62.043 -1.443 18531 7116 1 28 . 1 1 16 16 THR CB C 16 69.500 69.500 70.417 -0.917 18531 7117 1 28 . 1 1 16 16 THR H H 16 8.820 8.820 8.323 0.497 18531 7118 1 28 . 1 1 17 17 THR N N 17 111.800 111.800 114.664 -2.864 18531 7119 1 28 . 1 1 17 17 THR HA H 17 5.790 5.790 5.376 0.414 18531 7120 1 28 . 1 1 17 17 THR CA C 17 59.800 59.800 60.259 -0.459 18531 7121 1 28 . 1 1 17 17 THR CB C 17 73.100 73.100 72.418 0.682 18531 7122 1 28 . 1 1 17 17 THR H H 17 8.140 8.140 8.248 -0.108 18531 7123 1 28 . 1 1 18 18 THR N N 18 115.100 115.100 114.387 0.713 18531 7124 1 28 . 1 1 18 18 THR HA H 18 4.640 4.640 4.526 0.114 18531 7125 1 28 . 1 1 18 18 THR CA C 18 61.900 61.900 61.195 0.705 18531 7126 1 28 . 1 1 18 18 THR CB C 18 70.000 70.000 69.981 0.019 18531 7127 1 28 . 1 1 18 18 THR H H 18 8.930 8.930 8.426 0.504 18531 7128 1 28 . 1 1 19 19 LYS N N 19 124.300 124.300 125.412 -1.112 18531 7129 1 28 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.698 0.632 18531 7130 1 28 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.492 -0.492 18531 7131 1 28 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.882 -0.082 18531 7132 1 28 . 1 1 19 19 LYS H H 19 7.950 7.950 8.388 -0.438 18531 7133 1 28 . 1 1 20 20 ALA N N 20 124.600 124.600 126.133 -1.533 18531 7134 1 28 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.610 0.170 18531 7135 1 28 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.370 -0.470 18531 7136 1 28 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.005 1.795 18531 7137 1 28 . 1 1 20 20 ALA H H 20 9.110 9.110 8.304 0.806 18531 7138 1 28 . 1 1 21 21 VAL N N 21 115.300 115.300 119.199 -3.899 18531 7139 1 28 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.855 0.255 18531 7140 1 28 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.837 -1.537 18531 7141 1 28 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.372 0.829 18531 7142 1 28 . 1 1 21 21 VAL H H 21 8.480 8.480 8.693 -0.213 18531 7143 1 28 . 1 1 22 22 ASP N N 22 115.200 115.200 113.882 1.318 18531 7144 1 28 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.949 -0.239 18531 7145 1 28 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.888 -0.488 18531 7146 1 28 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.469 0.731 18531 7147 1 28 . 1 1 22 22 ASP H H 22 7.310 7.310 7.704 -0.394 18531 7148 1 28 . 1 1 23 23 ALA N N 23 121.000 121.000 121.580 -0.580 18531 7149 1 28 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.720 -0.380 18531 7150 1 28 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.898 0.002 18531 7151 1 28 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.457 -0.957 18531 7152 1 28 . 1 1 23 23 ALA H H 23 8.370 8.370 8.782 -0.412 18531 7153 1 28 . 1 1 24 24 GLU N N 24 118.900 118.900 118.978 -0.078 18531 7154 1 28 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.866 -0.006 18531 7155 1 28 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.916 0.784 18531 7156 1 28 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.214 0.886 18531 7157 1 28 . 1 1 24 24 GLU H H 24 8.410 8.410 8.567 -0.157 18531 7158 1 28 . 1 1 25 25 THR N N 25 117.400 117.400 116.645 0.755 18531 7159 1 28 . 1 1 25 25 THR HA H 25 3.670 3.670 4.017 -0.347 18531 7160 1 28 . 1 1 25 25 THR CA C 25 66.800 66.800 65.742 1.058 18531 7161 1 28 . 1 1 25 25 THR CB C 25 68.000 68.000 68.812 -0.812 18531 7162 1 28 . 1 1 25 25 THR H H 25 8.380 8.380 7.843 0.537 18531 7163 1 28 . 1 1 26 26 ALA N N 26 125.100 125.100 124.234 0.866 18531 7164 1 28 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.737 -0.547 18531 7165 1 28 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.797 0.203 18531 7166 1 28 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.678 -0.378 18531 7167 1 28 . 1 1 26 26 ALA H H 26 7.220 7.220 7.485 -0.265 18531 7168 1 28 . 1 1 27 27 GLU N N 27 117.400 117.400 117.351 0.049 18531 7169 1 28 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.782 -1.192 18531 7170 1 28 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.322 0.378 18531 7171 1 28 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.380 -0.180 18531 7172 1 28 . 1 1 27 27 GLU H H 27 8.370 8.370 8.545 -0.175 18531 7173 1 28 . 1 1 28 28 LYS N N 28 116.300 116.300 119.785 -3.485 18531 7174 1 28 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531 7175 1 28 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.992 0.608 18531 7176 1 28 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.444 -0.244 18531 7177 1 28 . 1 1 28 28 LYS H H 28 7.170 7.170 7.468 -0.298 18531 7178 1 28 . 1 1 29 29 ALA N N 29 122.000 122.000 122.612 -0.612 18531 7179 1 28 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.060 0.030 18531 7180 1 28 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.654 0.046 18531 7181 1 28 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.244 -0.744 18531 7182 1 28 . 1 1 29 29 ALA H H 29 7.200 7.200 7.382 -0.182 18531 7183 1 28 . 1 1 30 30 PHE N N 30 119.600 119.600 117.709 1.891 18531 7184 1 28 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.141 0.639 18531 7185 1 28 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.664 -4.064 18531 7186 1 28 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.260 -0.860 18531 7187 1 28 . 1 1 30 30 PHE H H 30 8.610 8.610 8.476 0.134 18531 7188 1 28 . 1 1 31 31 LYS N N 31 122.800 122.800 117.572 5.228 18531 7189 1 28 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.518 0.572 18531 7190 1 28 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.372 0.328 18531 7191 1 28 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.541 0.059 18531 7192 1 28 . 1 1 31 31 LYS H H 31 9.030 9.030 7.647 1.383 18531 7193 1 28 . 1 1 32 32 GLN N N 32 119.600 119.600 118.495 1.105 18531 7194 1 28 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.025 0.005 18531 7195 1 28 . 1 1 32 32 GLN CA C 32 58.700 58.700 60.060 -1.360 18531 7196 1 28 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.248 -0.148 18531 7197 1 28 . 1 1 32 32 GLN H H 32 7.510 7.510 7.692 -0.182 18531 7198 1 28 . 1 1 33 33 TYR N N 33 120.400 120.400 119.623 0.777 18531 7199 1 28 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.144 0.106 18531 7200 1 28 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.123 0.677 18531 7201 1 28 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.163 0.537 18531 7202 1 28 . 1 1 33 33 TYR H H 33 8.080 8.080 7.665 0.415 18531 7203 1 28 . 1 1 34 34 ALA N N 34 122.300 122.300 121.780 0.520 18531 7204 1 28 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.096 -0.316 18531 7205 1 28 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.291 0.809 18531 7206 1 28 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.697 -0.997 18531 7207 1 28 . 1 1 34 34 ALA H H 34 9.210 9.210 7.860 1.350 18531 7208 1 28 . 1 1 35 35 ASN N N 35 117.700 117.700 117.520 0.180 18531 7209 1 28 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.455 0.005 18531 7210 1 28 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.774 1.226 18531 7211 1 28 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.059 0.941 18531 7212 1 28 . 1 1 35 35 ASN H H 35 8.390 8.390 8.148 0.242 18531 7213 1 28 . 1 1 36 36 ASP N N 36 121.100 121.100 120.648 0.452 18531 7214 1 28 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.413 -0.053 18531 7215 1 28 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.735 -0.035 18531 7216 1 28 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.452 -0.452 18531 7217 1 28 . 1 1 36 36 ASP H H 36 8.830 8.830 8.723 0.107 18531 7218 1 28 . 1 1 37 37 ASN N N 37 115.200 115.200 114.828 0.372 18531 7219 1 28 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.670 -0.060 18531 7220 1 28 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.394 0.306 18531 7221 1 28 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.445 0.555 18531 7222 1 28 . 1 1 37 37 ASN H H 37 7.390 7.390 7.557 -0.167 18531 7223 1 28 . 1 1 38 38 GLY N N 38 108.200 108.200 107.691 0.509 18531 7224 1 28 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.624 0.776 18531 7225 1 28 . 1 1 38 38 GLY H H 38 7.800 7.800 7.970 -0.170 18531 7226 1 28 . 1 1 39 39 VAL N N 39 120.800 120.800 121.910 -1.110 18531 7227 1 28 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.407 -0.267 18531 7228 1 28 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.042 -0.342 18531 7229 1 28 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.609 1.691 18531 7230 1 28 . 1 1 39 39 VAL H H 39 8.120 8.120 7.995 0.125 18531 7231 1 28 . 1 1 40 40 ASP N N 40 128.000 128.000 127.382 0.618 18531 7232 1 28 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.100 -0.210 18531 7233 1 28 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.953 -0.153 18531 7234 1 28 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.590 -1.490 18531 7235 1 28 . 1 1 40 40 ASP H H 40 8.770 8.770 8.303 0.467 18531 7236 1 28 . 1 1 41 41 GLY N N 41 107.100 107.100 108.995 -1.895 18531 7237 1 28 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.274 0.126 18531 7238 1 28 . 1 1 41 41 GLY H H 41 7.910 7.910 8.362 -0.452 18531 7239 1 28 . 1 1 42 42 VAL N N 42 120.300 120.300 123.013 -2.713 18531 7240 1 28 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.393 -0.013 18531 7241 1 28 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.333 -0.233 18531 7242 1 28 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.027 0.373 18531 7243 1 28 . 1 1 42 42 VAL H H 42 8.250 8.250 8.209 0.041 18531 7244 1 28 . 1 1 43 43 TRP N N 43 130.700 130.700 126.737 3.963 18531 7245 1 28 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.725 -0.365 18531 7246 1 28 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.051 1.549 18531 7247 1 28 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.810 -2.610 18531 7248 1 28 . 1 1 43 43 TRP H H 43 9.360 9.360 8.613 0.747 18531 7249 1 28 . 1 1 44 44 THR N N 44 114.500 114.500 113.034 1.466 18531 7250 1 28 . 1 1 44 44 THR HA H 44 4.830 4.830 4.745 0.085 18531 7251 1 28 . 1 1 44 44 THR CA C 44 60.300 60.300 60.564 -0.264 18531 7252 1 28 . 1 1 44 44 THR CB C 44 72.100 72.100 71.669 0.431 18531 7253 1 28 . 1 1 44 44 THR H H 44 9.400 9.400 8.763 0.637 18531 7254 1 28 . 1 1 45 45 TYR N N 45 120.100 120.100 123.685 -3.585 18531 7255 1 28 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.465 0.505 18531 7256 1 28 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.897 0.103 18531 7257 1 28 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.338 0.262 18531 7258 1 28 . 1 1 45 45 TYR H H 45 8.580 8.580 8.480 0.100 18531 7259 1 28 . 1 1 46 46 ASP N N 46 128.300 128.300 128.598 -0.298 18531 7260 1 28 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.508 0.072 18531 7261 1 28 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.255 -0.354 18531 7262 1 28 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.938 1.163 18531 7263 1 28 . 1 1 46 46 ASP H H 46 7.580 7.580 7.804 -0.224 18531 7264 1 28 . 1 1 47 47 ASP N N 47 124.800 124.800 125.260 -0.460 18531 7265 1 28 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.356 -0.246 18531 7266 1 28 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.834 -0.334 18531 7267 1 28 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.469 1.631 18531 7268 1 28 . 1 1 47 47 ASP H H 47 8.590 8.590 8.186 0.404 18531 7269 1 28 . 1 1 48 48 ALA N N 48 119.700 119.700 122.299 -2.599 18531 7270 1 28 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.038 0.052 18531 7271 1 28 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.452 0.548 18531 7272 1 28 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.925 -0.625 18531 7273 1 28 . 1 1 48 48 ALA H H 48 8.340 8.340 8.043 0.297 18531 7274 1 28 . 1 1 49 49 THR N N 49 103.200 103.200 106.981 -3.781 18531 7275 1 28 . 1 1 49 49 THR HA H 49 4.390 4.390 4.414 -0.024 18531 7276 1 28 . 1 1 49 49 THR CA C 49 60.200 60.200 60.398 -0.198 18531 7277 1 28 . 1 1 49 49 THR CB C 49 70.000 70.000 69.186 0.814 18531 7278 1 28 . 1 1 49 49 THR H H 49 7.000 7.000 7.508 -0.508 18531 7279 1 28 . 1 1 50 50 LYS N N 50 123.100 123.100 119.453 3.647 18531 7280 1 28 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.012 0.178 18531 7281 1 28 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.632 -1.032 18531 7282 1 28 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.673 -1.073 18531 7283 1 28 . 1 1 50 50 LYS H H 50 7.860 7.860 7.869 -0.009 18531 7284 1 28 . 1 1 51 51 THR N N 51 111.200 111.200 114.898 -3.698 18531 7285 1 28 . 1 1 51 51 THR HA H 51 5.490 5.490 5.097 0.393 18531 7286 1 28 . 1 1 51 51 THR CA C 51 62.300 62.300 62.009 0.291 18531 7287 1 28 . 1 1 51 51 THR CB C 51 72.100 72.100 72.238 -0.138 18531 7288 1 28 . 1 1 51 51 THR H H 51 7.390 7.390 7.498 -0.108 18531 7289 1 28 . 1 1 52 52 PHE N N 52 131.000 131.000 123.802 7.198 18531 7290 1 28 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.421 0.209 18531 7291 1 28 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.101 1.199 18531 7292 1 28 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.068 -0.468 18531 7293 1 28 . 1 1 52 52 PHE H H 52 10.390 10.390 9.163 1.227 18531 7294 1 28 . 1 1 53 53 THR N N 53 117.400 117.400 116.787 0.613 18531 7295 1 28 . 1 1 53 53 THR HA H 53 5.270 5.270 4.450 0.820 18531 7296 1 28 . 1 1 53 53 THR CA C 53 61.200 61.200 61.651 -0.451 18531 7297 1 28 . 1 1 53 53 THR CB C 53 71.000 71.000 69.888 1.113 18531 7298 1 28 . 1 1 53 53 THR H H 53 9.180 9.180 8.478 0.702 18531 7299 1 28 . 1 1 54 54 VAL N N 54 123.000 123.000 128.325 -5.325 18531 7300 1 28 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.159 0.301 18531 7301 1 28 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.656 -0.556 18531 7302 1 28 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.374 -1.074 18531 7303 1 28 . 1 1 54 54 VAL H H 54 8.280 8.280 7.598 0.682 18531 7304 1 28 . 1 1 55 55 THR N N 55 123.900 123.900 123.303 0.597 18531 7305 1 28 . 1 1 55 55 THR HA H 55 4.700 4.700 4.651 0.049 18531 7306 1 28 . 1 1 55 55 THR CA C 55 61.200 61.200 60.449 0.751 18531 7307 1 28 . 1 1 55 55 THR CB C 55 70.700 70.700 71.122 -0.422 18531 7308 1 28 . 1 1 55 55 THR H H 55 8.320 8.320 8.009 0.311 18531 7309 1 29 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.371 -0.321 18531 7310 1 29 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.024 1.576 18531 7311 1 29 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.687 0.013 18531 7312 1 29 . 1 1 2 2 GLN H H 2 8.410 8.410 8.120 0.290 18531 7313 1 29 . 1 1 3 3 TYR N N 3 124.000 124.000 121.209 2.791 18531 7314 1 29 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.175 0.185 18531 7315 1 29 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.017 0.083 18531 7316 1 29 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.197 2.402 18531 7317 1 29 . 1 1 3 3 TYR H H 3 9.070 9.070 8.259 0.811 18531 7318 1 29 . 1 1 4 4 LYS N N 4 122.500 122.500 119.470 3.030 18531 7319 1 29 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.124 0.096 18531 7320 1 29 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.156 0.844 18531 7321 1 29 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.230 -0.230 18531 7322 1 29 . 1 1 4 4 LYS H H 4 9.100 9.100 8.563 0.537 18531 7323 1 29 . 1 1 5 5 LEU N N 5 126.400 126.400 125.049 1.351 18531 7324 1 29 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.857 0.113 18531 7325 1 29 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.230 -1.431 18531 7326 1 29 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.111 -2.511 18531 7327 1 29 . 1 1 5 5 LEU H H 5 8.620 8.620 8.014 0.606 18531 7328 1 29 . 1 1 6 6 VAL N N 6 127.000 127.000 127.174 -0.174 18531 7329 1 29 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.257 -0.097 18531 7330 1 29 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.924 0.376 18531 7331 1 29 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.949 0.751 18531 7332 1 29 . 1 1 6 6 VAL H H 6 9.190 9.190 9.164 0.026 18531 7333 1 29 . 1 1 7 7 ILE N N 7 125.400 125.400 129.617 -4.217 18531 7334 1 29 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.278 -0.188 18531 7335 1 29 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.890 -0.190 18531 7336 1 29 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.870 1.130 18531 7337 1 29 . 1 1 7 7 ILE H H 7 8.800 8.800 8.168 0.632 18531 7338 1 29 . 1 1 8 8 ASN N N 8 128.900 128.900 126.222 2.678 18531 7339 1 29 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.923 0.357 18531 7340 1 29 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.491 -1.691 18531 7341 1 29 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.892 -0.792 18531 7342 1 29 . 1 1 8 8 ASN H H 8 8.990 8.990 8.284 0.706 18531 7343 1 29 . 1 1 9 9 GLY N N 9 110.200 110.200 107.652 2.548 18531 7344 1 29 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.535 0.165 18531 7345 1 29 . 1 1 9 9 GLY H H 9 7.920 7.920 7.819 0.101 18531 7346 1 29 . 1 1 10 10 LYS N N 10 120.700 120.700 119.019 1.681 18531 7347 1 29 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.269 -0.209 18531 7348 1 29 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.426 0.774 18531 7349 1 29 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.014 -0.114 18531 7350 1 29 . 1 1 10 10 LYS H H 10 9.520 9.520 8.547 0.973 18531 7351 1 29 . 1 1 11 11 THR N N 11 108.900 108.900 109.972 -1.072 18531 7352 1 29 . 1 1 11 11 THR HA H 11 4.360 4.360 4.411 -0.051 18531 7353 1 29 . 1 1 11 11 THR CA C 11 62.000 62.000 62.243 -0.243 18531 7354 1 29 . 1 1 11 11 THR CB C 11 69.800 69.800 69.899 -0.099 18531 7355 1 29 . 1 1 11 11 THR H H 11 8.790 8.790 7.676 1.114 18531 7356 1 29 . 1 1 12 12 LEU N N 12 125.700 125.700 124.249 1.451 18531 7357 1 29 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.416 0.024 18531 7358 1 29 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.350 -0.350 18531 7359 1 29 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.053 0.247 18531 7360 1 29 . 1 1 12 12 LEU H H 12 7.580 7.580 8.291 -0.711 18531 7361 1 29 . 1 1 13 13 LYS N N 13 123.500 123.500 124.982 -1.482 18531 7362 1 29 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.071 0.049 18531 7363 1 29 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.705 -1.805 18531 7364 1 29 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.653 1.147 18531 7365 1 29 . 1 1 13 13 LYS H H 13 8.140 8.140 8.482 -0.342 18531 7366 1 29 . 1 1 14 14 GLY N N 14 109.100 109.100 111.037 -1.937 18531 7367 1 29 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.986 0.214 18531 7368 1 29 . 1 1 14 14 GLY H H 14 8.340 8.340 8.028 0.312 18531 7369 1 29 . 1 1 15 15 GLU N N 15 118.200 118.200 118.470 -0.270 18531 7370 1 29 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.524 0.076 18531 7371 1 29 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.204 -0.704 18531 7372 1 29 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.484 0.316 18531 7373 1 29 . 1 1 15 15 GLU H H 15 8.390 8.390 8.411 -0.021 18531 7374 1 29 . 1 1 16 16 THR N N 16 115.600 115.600 114.825 0.775 18531 7375 1 29 . 1 1 16 16 THR HA H 16 4.730 4.730 4.767 -0.037 18531 7376 1 29 . 1 1 16 16 THR CA C 16 60.600 60.600 60.530 0.070 18531 7377 1 29 . 1 1 16 16 THR CB C 16 69.500 69.500 69.505 -0.005 18531 7378 1 29 . 1 1 16 16 THR H H 16 8.820 8.820 8.250 0.570 18531 7379 1 29 . 1 1 17 17 THR N N 17 111.800 111.800 113.944 -2.144 18531 7380 1 29 . 1 1 17 17 THR HA H 17 5.790 5.790 5.585 0.205 18531 7381 1 29 . 1 1 17 17 THR CA C 17 59.800 59.800 60.535 -0.735 18531 7382 1 29 . 1 1 17 17 THR CB C 17 73.100 73.100 72.091 1.008 18531 7383 1 29 . 1 1 17 17 THR H H 17 8.140 8.140 8.245 -0.105 18531 7384 1 29 . 1 1 18 18 THR N N 18 115.100 115.100 113.626 1.474 18531 7385 1 29 . 1 1 18 18 THR HA H 18 4.640 4.640 4.570 0.070 18531 7386 1 29 . 1 1 18 18 THR CA C 18 61.900 61.900 61.221 0.679 18531 7387 1 29 . 1 1 18 18 THR CB C 18 70.000 70.000 69.123 0.877 18531 7388 1 29 . 1 1 18 18 THR H H 18 8.930 8.930 8.416 0.514 18531 7389 1 29 . 1 1 19 19 LYS N N 19 124.300 124.300 121.134 3.166 18531 7390 1 29 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.130 0.200 18531 7391 1 29 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.760 -0.760 18531 7392 1 29 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.770 0.030 18531 7393 1 29 . 1 1 19 19 LYS H H 19 7.950 7.950 8.262 -0.312 18531 7394 1 29 . 1 1 20 20 ALA N N 20 124.600 124.600 126.365 -1.765 18531 7395 1 29 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.699 0.081 18531 7396 1 29 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.779 0.121 18531 7397 1 29 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.675 2.125 18531 7398 1 29 . 1 1 20 20 ALA H H 20 9.110 9.110 8.736 0.374 18531 7399 1 29 . 1 1 21 21 VAL N N 21 115.300 115.300 119.581 -4.281 18531 7400 1 29 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.857 0.253 18531 7401 1 29 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.955 -0.655 18531 7402 1 29 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.825 0.375 18531 7403 1 29 . 1 1 21 21 VAL H H 21 8.480 8.480 8.688 -0.208 18531 7404 1 29 . 1 1 22 22 ASP N N 22 115.200 115.200 114.233 0.967 18531 7405 1 29 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.850 -0.140 18531 7406 1 29 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.545 -0.145 18531 7407 1 29 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.577 0.624 18531 7408 1 29 . 1 1 22 22 ASP H H 22 7.310 7.310 7.517 -0.207 18531 7409 1 29 . 1 1 23 23 ALA N N 23 121.000 121.000 122.903 -1.903 18531 7410 1 29 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.511 -0.171 18531 7411 1 29 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.309 -0.409 18531 7412 1 29 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.473 -0.973 18531 7413 1 29 . 1 1 23 23 ALA H H 23 8.370 8.370 8.788 -0.418 18531 7414 1 29 . 1 1 24 24 GLU N N 24 118.900 118.900 118.467 0.433 18531 7415 1 29 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.952 -0.092 18531 7416 1 29 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.275 0.425 18531 7417 1 29 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.942 0.158 18531 7418 1 29 . 1 1 24 24 GLU H H 24 8.410 8.410 8.752 -0.342 18531 7419 1 29 . 1 1 25 25 THR N N 25 117.400 117.400 115.971 1.429 18531 7420 1 29 . 1 1 25 25 THR HA H 25 3.670 3.670 4.078 -0.408 18531 7421 1 29 . 1 1 25 25 THR CA C 25 66.800 66.800 65.715 1.085 18531 7422 1 29 . 1 1 25 25 THR CB C 25 68.000 68.000 68.782 -0.782 18531 7423 1 29 . 1 1 25 25 THR H H 25 8.380 8.380 7.592 0.788 18531 7424 1 29 . 1 1 26 26 ALA N N 26 125.100 125.100 124.554 0.546 18531 7425 1 29 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.549 -0.359 18531 7426 1 29 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.633 0.367 18531 7427 1 29 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.340 -0.040 18531 7428 1 29 . 1 1 26 26 ALA H H 26 7.220 7.220 7.929 -0.709 18531 7429 1 29 . 1 1 27 27 GLU N N 27 117.400 117.400 117.968 -0.568 18531 7430 1 29 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.801 -1.211 18531 7431 1 29 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.833 -0.133 18531 7432 1 29 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.286 -0.086 18531 7433 1 29 . 1 1 27 27 GLU H H 27 8.370 8.370 8.318 0.052 18531 7434 1 29 . 1 1 28 28 LYS N N 28 116.300 116.300 118.676 -2.376 18531 7435 1 29 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.904 -0.234 18531 7436 1 29 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.218 0.382 18531 7437 1 29 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.015 0.185 18531 7438 1 29 . 1 1 28 28 LYS H H 28 7.170 7.170 7.619 -0.449 18531 7439 1 29 . 1 1 29 29 ALA N N 29 122.000 122.000 121.743 0.257 18531 7440 1 29 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.040 0.050 18531 7441 1 29 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.667 0.033 18531 7442 1 29 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.895 -0.395 18531 7443 1 29 . 1 1 29 29 ALA H H 29 7.200 7.200 7.232 -0.032 18531 7444 1 29 . 1 1 30 30 PHE N N 30 119.600 119.600 117.597 2.003 18531 7445 1 29 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.221 0.559 18531 7446 1 29 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.556 -3.956 18531 7447 1 29 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.402 -1.002 18531 7448 1 29 . 1 1 30 30 PHE H H 30 8.610 8.610 7.932 0.678 18531 7449 1 29 . 1 1 31 31 LYS N N 31 122.800 122.800 118.332 4.468 18531 7450 1 29 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.315 -0.225 18531 7451 1 29 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.577 0.123 18531 7452 1 29 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.012 -0.412 18531 7453 1 29 . 1 1 31 31 LYS H H 31 9.030 9.030 8.635 0.395 18531 7454 1 29 . 1 1 32 32 GLN N N 32 119.600 119.600 119.775 -0.175 18531 7455 1 29 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.038 -0.008 18531 7456 1 29 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.335 -0.635 18531 7457 1 29 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.352 -0.252 18531 7458 1 29 . 1 1 32 32 GLN H H 32 7.510 7.510 7.749 -0.239 18531 7459 1 29 . 1 1 33 33 TYR N N 33 120.400 120.400 118.980 1.420 18531 7460 1 29 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.267 -0.017 18531 7461 1 29 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.211 1.589 18531 7462 1 29 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.275 0.425 18531 7463 1 29 . 1 1 33 33 TYR H H 33 8.080 8.080 7.917 0.163 18531 7464 1 29 . 1 1 34 34 ALA N N 34 122.300 122.300 123.160 -0.860 18531 7465 1 29 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.003 -0.223 18531 7466 1 29 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.197 0.903 18531 7467 1 29 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.775 -1.075 18531 7468 1 29 . 1 1 34 34 ALA H H 34 9.210 9.210 8.130 1.080 18531 7469 1 29 . 1 1 35 35 ASN N N 35 117.700 117.700 117.322 0.378 18531 7470 1 29 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.481 -0.021 18531 7471 1 29 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.741 1.259 18531 7472 1 29 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.119 0.881 18531 7473 1 29 . 1 1 35 35 ASN H H 35 8.390 8.390 8.017 0.373 18531 7474 1 29 . 1 1 36 36 ASP N N 36 121.100 121.100 121.154 -0.054 18531 7475 1 29 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.478 -0.118 18531 7476 1 29 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.657 0.043 18531 7477 1 29 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.868 -0.868 18531 7478 1 29 . 1 1 36 36 ASP H H 36 8.830 8.830 8.317 0.513 18531 7479 1 29 . 1 1 37 37 ASN N N 37 115.200 115.200 113.736 1.464 18531 7480 1 29 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.769 -0.159 18531 7481 1 29 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.595 1.105 18531 7482 1 29 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.013 0.987 18531 7483 1 29 . 1 1 37 37 ASN H H 37 7.390 7.390 7.353 0.037 18531 7484 1 29 . 1 1 38 38 GLY N N 38 108.200 108.200 107.782 0.418 18531 7485 1 29 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.964 0.436 18531 7486 1 29 . 1 1 38 38 GLY H H 38 7.800 7.800 8.068 -0.268 18531 7487 1 29 . 1 1 39 39 VAL N N 39 120.800 120.800 121.086 -0.286 18531 7488 1 29 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.076 0.064 18531 7489 1 29 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.707 -1.007 18531 7490 1 29 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.083 1.218 18531 7491 1 29 . 1 1 39 39 VAL H H 39 8.120 8.120 8.045 0.075 18531 7492 1 29 . 1 1 40 40 ASP N N 40 128.000 128.000 126.971 1.029 18531 7493 1 29 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.001 -0.111 18531 7494 1 29 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.696 0.104 18531 7495 1 29 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.987 -1.887 18531 7496 1 29 . 1 1 40 40 ASP H H 40 8.770 8.770 8.229 0.541 18531 7497 1 29 . 1 1 41 41 GLY N N 41 107.100 107.100 109.073 -1.973 18531 7498 1 29 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.340 0.060 18531 7499 1 29 . 1 1 41 41 GLY H H 41 7.910 7.910 8.489 -0.579 18531 7500 1 29 . 1 1 42 42 VAL N N 42 120.300 120.300 118.724 1.576 18531 7501 1 29 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.631 -0.251 18531 7502 1 29 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.909 0.191 18531 7503 1 29 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.916 0.484 18531 7504 1 29 . 1 1 42 42 VAL H H 42 8.250 8.250 8.003 0.247 18531 7505 1 29 . 1 1 43 43 TRP N N 43 130.700 130.700 126.898 3.802 18531 7506 1 29 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.717 -0.357 18531 7507 1 29 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.879 1.721 18531 7508 1 29 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.938 -1.738 18531 7509 1 29 . 1 1 43 43 TRP H H 43 9.360 9.360 8.600 0.760 18531 7510 1 29 . 1 1 44 44 THR N N 44 114.500 114.500 118.209 -3.709 18531 7511 1 29 . 1 1 44 44 THR HA H 44 4.830 4.830 4.615 0.215 18531 7512 1 29 . 1 1 44 44 THR CA C 44 60.300 60.300 61.532 -1.232 18531 7513 1 29 . 1 1 44 44 THR CB C 44 72.100 72.100 69.939 2.161 18531 7514 1 29 . 1 1 44 44 THR H H 44 9.400 9.400 8.604 0.796 18531 7515 1 29 . 1 1 45 45 TYR N N 45 120.100 120.100 128.487 -8.387 18531 7516 1 29 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.722 0.248 18531 7517 1 29 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.081 1.919 18531 7518 1 29 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.807 1.793 18531 7519 1 29 . 1 1 45 45 TYR H H 45 8.580 8.580 8.622 -0.042 18531 7520 1 29 . 1 1 46 46 ASP N N 46 128.300 128.300 129.531 -1.231 18531 7521 1 29 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.504 0.076 18531 7522 1 29 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.858 0.042 18531 7523 1 29 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.661 1.439 18531 7524 1 29 . 1 1 46 46 ASP H H 46 7.580 7.580 8.145 -0.565 18531 7525 1 29 . 1 1 47 47 ASP N N 47 124.800 124.800 125.605 -0.805 18531 7526 1 29 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.376 -0.266 18531 7527 1 29 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.969 -0.469 18531 7528 1 29 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.315 1.785 18531 7529 1 29 . 1 1 47 47 ASP H H 47 8.590 8.590 8.029 0.561 18531 7530 1 29 . 1 1 48 48 ALA N N 48 119.700 119.700 122.677 -2.977 18531 7531 1 29 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.106 -0.016 18531 7532 1 29 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.549 0.451 18531 7533 1 29 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.948 -0.648 18531 7534 1 29 . 1 1 48 48 ALA H H 48 8.340 8.340 8.358 -0.018 18531 7535 1 29 . 1 1 49 49 THR N N 49 103.200 103.200 107.165 -3.965 18531 7536 1 29 . 1 1 49 49 THR HA H 49 4.390 4.390 4.504 -0.114 18531 7537 1 29 . 1 1 49 49 THR CA C 49 60.200 60.200 60.718 -0.518 18531 7538 1 29 . 1 1 49 49 THR CB C 49 70.000 70.000 69.221 0.779 18531 7539 1 29 . 1 1 49 49 THR H H 49 7.000 7.000 7.753 -0.753 18531 7540 1 29 . 1 1 50 50 LYS N N 50 123.100 123.100 119.622 3.478 18531 7541 1 29 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.282 -0.092 18531 7542 1 29 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.683 -1.083 18531 7543 1 29 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.876 -1.276 18531 7544 1 29 . 1 1 50 50 LYS H H 50 7.860 7.860 7.701 0.159 18531 7545 1 29 . 1 1 51 51 THR N N 51 111.200 111.200 115.304 -4.104 18531 7546 1 29 . 1 1 51 51 THR HA H 51 5.490 5.490 4.882 0.608 18531 7547 1 29 . 1 1 51 51 THR CA C 51 62.300 62.300 61.863 0.437 18531 7548 1 29 . 1 1 51 51 THR CB C 51 72.100 72.100 71.010 1.090 18531 7549 1 29 . 1 1 51 51 THR H H 51 7.390 7.390 7.647 -0.257 18531 7550 1 29 . 1 1 52 52 PHE N N 52 131.000 131.000 126.432 4.568 18531 7551 1 29 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.555 0.075 18531 7552 1 29 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.972 1.328 18531 7553 1 29 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.042 -0.442 18531 7554 1 29 . 1 1 52 52 PHE H H 52 10.390 10.390 8.975 1.415 18531 7555 1 29 . 1 1 53 53 THR N N 53 117.400 117.400 118.547 -1.147 18531 7556 1 29 . 1 1 53 53 THR HA H 53 5.270 5.270 4.985 0.285 18531 7557 1 29 . 1 1 53 53 THR CA C 53 61.200 61.200 61.190 0.010 18531 7558 1 29 . 1 1 53 53 THR CB C 53 71.000 71.000 71.087 -0.087 18531 7559 1 29 . 1 1 53 53 THR H H 53 9.180 9.180 8.398 0.782 18531 7560 1 29 . 1 1 54 54 VAL N N 54 123.000 123.000 125.737 -2.737 18531 7561 1 29 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.864 0.596 18531 7562 1 29 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.690 -2.590 18531 7563 1 29 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.462 -1.163 18531 7564 1 29 . 1 1 54 54 VAL H H 54 8.280 8.280 8.532 -0.252 18531 7565 1 29 . 1 1 55 55 THR N N 55 123.900 123.900 120.267 3.633 18531 7566 1 29 . 1 1 55 55 THR HA H 55 4.700 4.700 4.795 -0.095 18531 7567 1 29 . 1 1 55 55 THR CA C 55 61.200 61.200 59.726 1.474 18531 7568 1 29 . 1 1 55 55 THR CB C 55 70.700 70.700 70.402 0.298 18531 7569 1 29 . 1 1 55 55 THR H H 55 8.320 8.320 7.868 0.452 18531 7570 1 30 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.509 0.541 18531 7571 1 30 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.606 0.994 18531 7572 1 30 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.151 0.549 18531 7573 1 30 . 1 1 2 2 GLN H H 2 8.410 8.410 8.075 0.335 18531 7574 1 30 . 1 1 3 3 TYR N N 3 124.000 124.000 123.343 0.657 18531 7575 1 30 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.011 0.349 18531 7576 1 30 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.684 0.415 18531 7577 1 30 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.818 1.782 18531 7578 1 30 . 1 1 3 3 TYR H H 3 9.070 9.070 8.996 0.074 18531 7579 1 30 . 1 1 4 4 LYS N N 4 122.500 122.500 121.724 0.776 18531 7580 1 30 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.058 0.162 18531 7581 1 30 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.922 0.078 18531 7582 1 30 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.621 -0.621 18531 7583 1 30 . 1 1 4 4 LYS H H 4 9.100 9.100 8.124 0.976 18531 7584 1 30 . 1 1 5 5 LEU N N 5 126.400 126.400 125.082 1.318 18531 7585 1 30 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.789 0.181 18531 7586 1 30 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.141 -0.341 18531 7587 1 30 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.553 -3.953 18531 7588 1 30 . 1 1 5 5 LEU H H 5 8.620 8.620 9.027 -0.407 18531 7589 1 30 . 1 1 6 6 VAL N N 6 127.000 127.000 124.302 2.698 18531 7590 1 30 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.306 -0.146 18531 7591 1 30 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.614 0.686 18531 7592 1 30 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.069 -0.369 18531 7593 1 30 . 1 1 6 6 VAL H H 6 9.190 9.190 8.049 1.141 18531 7594 1 30 . 1 1 7 7 ILE N N 7 125.400 125.400 128.732 -3.332 18531 7595 1 30 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.076 0.014 18531 7596 1 30 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.258 -0.558 18531 7597 1 30 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.254 0.746 18531 7598 1 30 . 1 1 7 7 ILE H H 7 8.800 8.800 8.670 0.130 18531 7599 1 30 . 1 1 8 8 ASN N N 8 128.900 128.900 127.150 1.750 18531 7600 1 30 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.949 0.331 18531 7601 1 30 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.394 -1.594 18531 7602 1 30 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.894 -0.794 18531 7603 1 30 . 1 1 8 8 ASN H H 8 8.990 8.990 7.990 1.000 18531 7604 1 30 . 1 1 9 9 GLY N N 9 110.200 110.200 107.427 2.773 18531 7605 1 30 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.279 0.421 18531 7606 1 30 . 1 1 9 9 GLY H H 9 7.920 7.920 8.294 -0.374 18531 7607 1 30 . 1 1 10 10 LYS N N 10 120.700 120.700 122.421 -1.721 18531 7608 1 30 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.014 0.046 18531 7609 1 30 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.695 0.505 18531 7610 1 30 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.455 0.445 18531 7611 1 30 . 1 1 10 10 LYS H H 10 9.520 9.520 8.817 0.703 18531 7612 1 30 . 1 1 11 11 THR N N 11 108.900 108.900 108.655 0.245 18531 7613 1 30 . 1 1 11 11 THR HA H 11 4.360 4.360 4.267 0.093 18531 7614 1 30 . 1 1 11 11 THR CA C 11 62.000 62.000 62.007 -0.007 18531 7615 1 30 . 1 1 11 11 THR CB C 11 69.800 69.800 69.337 0.463 18531 7616 1 30 . 1 1 11 11 THR H H 11 8.790 8.790 7.753 1.037 18531 7617 1 30 . 1 1 12 12 LEU N N 12 125.700 125.700 123.753 1.947 18531 7618 1 30 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.606 -0.166 18531 7619 1 30 . 1 1 12 12 LEU CA C 12 55.000 55.000 53.998 1.002 18531 7620 1 30 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.566 -0.266 18531 7621 1 30 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531 7622 1 30 . 1 1 13 13 LYS N N 13 123.500 123.500 125.682 -2.182 18531 7623 1 30 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.950 0.170 18531 7624 1 30 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.284 -1.384 18531 7625 1 30 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.280 -0.480 18531 7626 1 30 . 1 1 13 13 LYS H H 13 8.140 8.140 8.527 -0.387 18531 7627 1 30 . 1 1 14 14 GLY N N 14 109.100 109.100 111.873 -2.773 18531 7628 1 30 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.977 -0.777 18531 7629 1 30 . 1 1 14 14 GLY H H 14 8.340 8.340 8.755 -0.415 18531 7630 1 30 . 1 1 15 15 GLU N N 15 118.200 118.200 119.128 -0.928 18531 7631 1 30 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.920 0.680 18531 7632 1 30 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.617 -1.117 18531 7633 1 30 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.558 0.242 18531 7634 1 30 . 1 1 15 15 GLU H H 15 8.390 8.390 8.599 -0.209 18531 7635 1 30 . 1 1 16 16 THR N N 16 115.600 115.600 114.649 0.951 18531 7636 1 30 . 1 1 16 16 THR HA H 16 4.730 4.730 4.761 -0.031 18531 7637 1 30 . 1 1 16 16 THR CA C 16 60.600 60.600 61.917 -1.317 18531 7638 1 30 . 1 1 16 16 THR CB C 16 69.500 69.500 70.396 -0.896 18531 7639 1 30 . 1 1 16 16 THR H H 16 8.820 8.820 8.674 0.146 18531 7640 1 30 . 1 1 17 17 THR N N 17 111.800 111.800 115.668 -3.868 18531 7641 1 30 . 1 1 17 17 THR HA H 17 5.790 5.790 5.333 0.457 18531 7642 1 30 . 1 1 17 17 THR CA C 17 59.800 59.800 61.088 -1.288 18531 7643 1 30 . 1 1 17 17 THR CB C 17 73.100 73.100 71.813 1.287 18531 7644 1 30 . 1 1 17 17 THR H H 17 8.140 8.140 8.351 -0.211 18531 7645 1 30 . 1 1 18 18 THR N N 18 115.100 115.100 114.890 0.210 18531 7646 1 30 . 1 1 18 18 THR HA H 18 4.640 4.640 4.622 0.018 18531 7647 1 30 . 1 1 18 18 THR CA C 18 61.900 61.900 61.142 0.758 18531 7648 1 30 . 1 1 18 18 THR CB C 18 70.000 70.000 69.601 0.399 18531 7649 1 30 . 1 1 18 18 THR H H 18 8.930 8.930 8.949 -0.019 18531 7650 1 30 . 1 1 19 19 LYS N N 19 124.300 124.300 126.345 -2.045 18531 7651 1 30 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.048 0.282 18531 7652 1 30 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.342 -0.342 18531 7653 1 30 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.942 -0.142 18531 7654 1 30 . 1 1 19 19 LYS H H 19 7.950 7.950 8.307 -0.357 18531 7655 1 30 . 1 1 20 20 ALA N N 20 124.600 124.600 126.821 -2.221 18531 7656 1 30 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.602 0.178 18531 7657 1 30 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.417 -0.517 18531 7658 1 30 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.669 2.131 18531 7659 1 30 . 1 1 20 20 ALA H H 20 9.110 9.110 8.034 1.076 18531 7660 1 30 . 1 1 21 21 VAL N N 21 115.300 115.300 119.050 -3.750 18531 7661 1 30 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.839 0.271 18531 7662 1 30 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.029 -0.729 18531 7663 1 30 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.798 0.402 18531 7664 1 30 . 1 1 21 21 VAL H H 21 8.480 8.480 8.640 -0.160 18531 7665 1 30 . 1 1 22 22 ASP N N 22 115.200 115.200 113.220 1.980 18531 7666 1 30 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.896 -0.186 18531 7667 1 30 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.507 -0.107 18531 7668 1 30 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.038 0.162 18531 7669 1 30 . 1 1 22 22 ASP H H 22 7.310 7.310 7.650 -0.340 18531 7670 1 30 . 1 1 23 23 ALA N N 23 121.000 121.000 121.618 -0.618 18531 7671 1 30 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.618 -0.278 18531 7672 1 30 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.000 -0.100 18531 7673 1 30 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.490 -0.990 18531 7674 1 30 . 1 1 23 23 ALA H H 23 8.370 8.370 8.799 -0.429 18531 7675 1 30 . 1 1 24 24 GLU N N 24 118.900 118.900 118.616 0.284 18531 7676 1 30 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.852 0.008 18531 7677 1 30 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.196 0.505 18531 7678 1 30 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.886 0.214 18531 7679 1 30 . 1 1 24 24 GLU H H 24 8.410 8.410 8.578 -0.168 18531 7680 1 30 . 1 1 25 25 THR N N 25 117.400 117.400 115.150 2.250 18531 7681 1 30 . 1 1 25 25 THR HA H 25 3.670 3.670 4.059 -0.389 18531 7682 1 30 . 1 1 25 25 THR CA C 25 66.800 66.800 65.829 0.972 18531 7683 1 30 . 1 1 25 25 THR CB C 25 68.000 68.000 68.741 -0.741 18531 7684 1 30 . 1 1 25 25 THR H H 25 8.380 8.380 7.812 0.568 18531 7685 1 30 . 1 1 26 26 ALA N N 26 125.100 125.100 123.874 1.226 18531 7686 1 30 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.955 -0.765 18531 7687 1 30 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.886 0.113 18531 7688 1 30 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.948 -0.648 18531 7689 1 30 . 1 1 26 26 ALA H H 26 7.220 7.220 7.404 -0.184 18531 7690 1 30 . 1 1 27 27 GLU N N 27 117.400 117.400 117.444 -0.044 18531 7691 1 30 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.887 -1.297 18531 7692 1 30 . 1 1 27 27 GLU CA C 27 59.700 59.700 58.977 0.723 18531 7693 1 30 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.239 -0.039 18531 7694 1 30 . 1 1 27 27 GLU H H 27 8.370 8.370 8.214 0.156 18531 7695 1 30 . 1 1 28 28 LYS N N 28 116.300 116.300 119.203 -2.903 18531 7696 1 30 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.106 -0.436 18531 7697 1 30 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.542 1.058 18531 7698 1 30 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.373 -0.173 18531 7699 1 30 . 1 1 28 28 LYS H H 28 7.170 7.170 7.472 -0.302 18531 7700 1 30 . 1 1 29 29 ALA N N 29 122.000 122.000 123.295 -1.295 18531 7701 1 30 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.184 -0.094 18531 7702 1 30 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.857 -0.157 18531 7703 1 30 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.228 -0.728 18531 7704 1 30 . 1 1 29 29 ALA H H 29 7.200 7.200 7.311 -0.111 18531 7705 1 30 . 1 1 30 30 PHE N N 30 119.600 119.600 117.511 2.089 18531 7706 1 30 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.217 0.563 18531 7707 1 30 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.064 -4.464 18531 7708 1 30 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.602 -1.202 18531 7709 1 30 . 1 1 30 30 PHE H H 30 8.610 8.610 8.629 -0.019 18531 7710 1 30 . 1 1 31 31 LYS N N 31 122.800 122.800 118.032 4.768 18531 7711 1 30 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.648 0.442 18531 7712 1 30 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.442 0.258 18531 7713 1 30 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.525 0.075 18531 7714 1 30 . 1 1 31 31 LYS H H 31 9.030 9.030 7.495 1.535 18531 7715 1 30 . 1 1 32 32 GLN N N 32 119.600 119.600 117.564 2.036 18531 7716 1 30 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.061 -0.031 18531 7717 1 30 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.728 -1.028 18531 7718 1 30 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.199 -0.099 18531 7719 1 30 . 1 1 32 32 GLN H H 32 7.510 7.510 7.799 -0.289 18531 7720 1 30 . 1 1 33 33 TYR N N 33 120.400 120.400 119.882 0.518 18531 7721 1 30 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.429 -0.179 18531 7722 1 30 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.931 0.869 18531 7723 1 30 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.076 0.624 18531 7724 1 30 . 1 1 33 33 TYR H H 33 8.080 8.080 7.946 0.134 18531 7725 1 30 . 1 1 34 34 ALA N N 34 122.300 122.300 122.459 -0.159 18531 7726 1 30 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.046 -0.266 18531 7727 1 30 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.368 0.732 18531 7728 1 30 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.353 -0.653 18531 7729 1 30 . 1 1 34 34 ALA H H 34 9.210 9.210 7.744 1.466 18531 7730 1 30 . 1 1 35 35 ASN N N 35 117.700 117.700 117.024 0.676 18531 7731 1 30 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.499 -0.039 18531 7732 1 30 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.846 1.154 18531 7733 1 30 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.066 0.934 18531 7734 1 30 . 1 1 35 35 ASN H H 35 8.390 8.390 8.193 0.197 18531 7735 1 30 . 1 1 36 36 ASP N N 36 121.100 121.100 120.599 0.501 18531 7736 1 30 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.393 -0.033 18531 7737 1 30 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.698 0.002 18531 7738 1 30 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.070 -0.070 18531 7739 1 30 . 1 1 36 36 ASP H H 36 8.830 8.830 8.056 0.774 18531 7740 1 30 . 1 1 37 37 ASN N N 37 115.200 115.200 114.644 0.556 18531 7741 1 30 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.699 -0.089 18531 7742 1 30 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.559 0.141 18531 7743 1 30 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.345 0.655 18531 7744 1 30 . 1 1 37 37 ASN H H 37 7.390 7.390 7.964 -0.574 18531 7745 1 30 . 1 1 38 38 GLY N N 38 108.200 108.200 107.269 0.931 18531 7746 1 30 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.540 0.860 18531 7747 1 30 . 1 1 38 38 GLY H H 38 7.800 7.800 7.934 -0.134 18531 7748 1 30 . 1 1 39 39 VAL N N 39 120.800 120.800 121.290 -0.490 18531 7749 1 30 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.511 -0.371 18531 7750 1 30 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.864 -0.163 18531 7751 1 30 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.131 1.169 18531 7752 1 30 . 1 1 39 39 VAL H H 39 8.120 8.120 7.975 0.145 18531 7753 1 30 . 1 1 40 40 ASP N N 40 128.000 128.000 127.561 0.439 18531 7754 1 30 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.149 -0.259 18531 7755 1 30 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.819 -0.019 18531 7756 1 30 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.711 -1.611 18531 7757 1 30 . 1 1 40 40 ASP H H 40 8.770 8.770 8.117 0.653 18531 7758 1 30 . 1 1 41 41 GLY N N 41 107.100 107.100 108.108 -1.008 18531 7759 1 30 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.088 0.312 18531 7760 1 30 . 1 1 41 41 GLY H H 41 7.910 7.910 8.339 -0.429 18531 7761 1 30 . 1 1 42 42 VAL N N 42 120.300 120.300 120.667 -0.367 18531 7762 1 30 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.675 -0.295 18531 7763 1 30 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.329 0.771 18531 7764 1 30 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.712 0.688 18531 7765 1 30 . 1 1 42 42 VAL H H 42 8.250 8.250 8.137 0.113 18531 7766 1 30 . 1 1 43 43 TRP N N 43 130.700 130.700 126.470 4.230 18531 7767 1 30 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.676 -0.316 18531 7768 1 30 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.916 1.684 18531 7769 1 30 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.418 -2.218 18531 7770 1 30 . 1 1 43 43 TRP H H 43 9.360 9.360 8.524 0.836 18531 7771 1 30 . 1 1 44 44 THR N N 44 114.500 114.500 114.296 0.204 18531 7772 1 30 . 1 1 44 44 THR HA H 44 4.830 4.830 4.737 0.093 18531 7773 1 30 . 1 1 44 44 THR CA C 44 60.300 60.300 61.003 -0.703 18531 7774 1 30 . 1 1 44 44 THR CB C 44 72.100 72.100 71.640 0.460 18531 7775 1 30 . 1 1 44 44 THR H H 44 9.400 9.400 8.632 0.768 18531 7776 1 30 . 1 1 45 45 TYR N N 45 120.100 120.100 124.963 -4.863 18531 7777 1 30 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.007 -0.037 18531 7778 1 30 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.342 0.658 18531 7779 1 30 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.402 1.198 18531 7780 1 30 . 1 1 45 45 TYR H H 45 8.580 8.580 8.688 -0.108 18531 7781 1 30 . 1 1 46 46 ASP N N 46 128.300 128.300 129.679 -1.379 18531 7782 1 30 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.671 -0.091 18531 7783 1 30 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.630 -0.730 18531 7784 1 30 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.023 1.077 18531 7785 1 30 . 1 1 46 46 ASP H H 46 7.580 7.580 8.556 -0.976 18531 7786 1 30 . 1 1 47 47 ASP N N 47 124.800 124.800 126.615 -1.815 18531 7787 1 30 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.561 -0.451 18531 7788 1 30 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.940 -0.440 18531 7789 1 30 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.935 1.165 18531 7790 1 30 . 1 1 47 47 ASP H H 47 8.590 8.590 8.447 0.142 18531 7791 1 30 . 1 1 48 48 ALA N N 48 119.700 119.700 122.253 -2.553 18531 7792 1 30 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.121 -0.031 18531 7793 1 30 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.517 0.483 18531 7794 1 30 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.048 -0.748 18531 7795 1 30 . 1 1 48 48 ALA H H 48 8.340 8.340 7.729 0.611 18531 7796 1 30 . 1 1 49 49 THR N N 49 103.200 103.200 107.459 -4.259 18531 7797 1 30 . 1 1 49 49 THR HA H 49 4.390 4.390 4.526 -0.136 18531 7798 1 30 . 1 1 49 49 THR CA C 49 60.200 60.200 60.463 -0.263 18531 7799 1 30 . 1 1 49 49 THR CB C 49 70.000 70.000 69.440 0.560 18531 7800 1 30 . 1 1 49 49 THR H H 49 7.000 7.000 7.654 -0.654 18531 7801 1 30 . 1 1 50 50 LYS N N 50 123.100 123.100 119.211 3.889 18531 7802 1 30 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.172 0.018 18531 7803 1 30 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.824 -1.224 18531 7804 1 30 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.689 -1.089 18531 7805 1 30 . 1 1 50 50 LYS H H 50 7.860 7.860 7.848 0.012 18531 7806 1 30 . 1 1 51 51 THR N N 51 111.200 111.200 113.957 -2.757 18531 7807 1 30 . 1 1 51 51 THR HA H 51 5.490 5.490 4.810 0.680 18531 7808 1 30 . 1 1 51 51 THR CA C 51 62.300 62.300 61.456 0.844 18531 7809 1 30 . 1 1 51 51 THR CB C 51 72.100 72.100 72.245 -0.145 18531 7810 1 30 . 1 1 51 51 THR H H 51 7.390 7.390 7.479 -0.089 18531 7811 1 30 . 1 1 52 52 PHE N N 52 131.000 131.000 123.875 7.125 18531 7812 1 30 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.610 0.020 18531 7813 1 30 . 1 1 52 52 PHE CA C 52 57.300 57.300 54.342 2.958 18531 7814 1 30 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.663 0.938 18531 7815 1 30 . 1 1 52 52 PHE H H 52 10.390 10.390 8.308 2.082 18531 7816 1 30 . 1 1 53 53 THR N N 53 117.400 117.400 115.456 1.944 18531 7817 1 30 . 1 1 53 53 THR HA H 53 5.270 5.270 4.413 0.857 18531 7818 1 30 . 1 1 53 53 THR CA C 53 61.200 61.200 61.913 -0.712 18531 7819 1 30 . 1 1 53 53 THR CB C 53 71.000 71.000 71.033 -0.033 18531 7820 1 30 . 1 1 53 53 THR H H 53 9.180 9.180 8.510 0.670 18531 7821 1 30 . 1 1 54 54 VAL N N 54 123.000 123.000 127.197 -4.197 18531 7822 1 30 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.899 0.561 18531 7823 1 30 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.863 -0.763 18531 7824 1 30 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.565 -1.265 18531 7825 1 30 . 1 1 54 54 VAL H H 54 8.280 8.280 7.658 0.622 18531 7826 1 30 . 1 1 55 55 THR N N 55 123.900 123.900 123.685 0.215 18531 7827 1 30 . 1 1 55 55 THR HA H 55 4.700 4.700 4.603 0.097 18531 7828 1 30 . 1 1 55 55 THR CA C 55 61.200 61.200 60.390 0.810 18531 7829 1 30 . 1 1 55 55 THR CB C 55 70.700 70.700 70.528 0.171 18531 7830 1 30 . 1 1 55 55 THR H H 55 8.320 8.320 7.880 0.440 18531 7831 1 31 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.697 0.353 18531 7832 1 31 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.688 -0.088 18531 7833 1 31 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.443 -0.743 18531 7834 1 31 . 1 1 2 2 GLN H H 2 8.410 8.410 8.241 0.169 18531 7835 1 31 . 1 1 3 3 TYR N N 3 124.000 124.000 124.040 -0.040 18531 7836 1 31 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.912 0.448 18531 7837 1 31 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.215 -0.115 18531 7838 1 31 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.690 2.910 18531 7839 1 31 . 1 1 3 3 TYR H H 3 9.070 9.070 8.333 0.737 18531 7840 1 31 . 1 1 4 4 LYS N N 4 122.500 122.500 119.803 2.697 18531 7841 1 31 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.812 0.408 18531 7842 1 31 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.804 0.195 18531 7843 1 31 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.791 -0.791 18531 7844 1 31 . 1 1 4 4 LYS H H 4 9.100 9.100 8.569 0.531 18531 7845 1 31 . 1 1 5 5 LEU N N 5 126.400 126.400 125.960 0.440 18531 7846 1 31 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.781 0.189 18531 7847 1 31 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.914 -1.114 18531 7848 1 31 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.995 -3.394 18531 7849 1 31 . 1 1 5 5 LEU H H 5 8.620 8.620 8.916 -0.296 18531 7850 1 31 . 1 1 6 6 VAL N N 6 127.000 127.000 127.079 -0.079 18531 7851 1 31 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.327 -0.167 18531 7852 1 31 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.620 0.680 18531 7853 1 31 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.981 -1.281 18531 7854 1 31 . 1 1 6 6 VAL H H 6 9.190 9.190 7.937 1.253 18531 7855 1 31 . 1 1 7 7 ILE N N 7 125.400 125.400 128.269 -2.869 18531 7856 1 31 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.212 -0.122 18531 7857 1 31 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.737 -0.037 18531 7858 1 31 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.827 0.173 18531 7859 1 31 . 1 1 7 7 ILE H H 7 8.800 8.800 8.543 0.257 18531 7860 1 31 . 1 1 8 8 ASN N N 8 128.900 128.900 127.655 1.245 18531 7861 1 31 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.009 0.271 18531 7862 1 31 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.263 -1.463 18531 7863 1 31 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.647 -0.547 18531 7864 1 31 . 1 1 8 8 ASN H H 8 8.990 8.990 8.033 0.957 18531 7865 1 31 . 1 1 9 9 GLY N N 9 110.200 110.200 107.807 2.393 18531 7866 1 31 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.348 0.352 18531 7867 1 31 . 1 1 9 9 GLY H H 9 7.920 7.920 8.195 -0.275 18531 7868 1 31 . 1 1 10 10 LYS N N 10 120.700 120.700 123.121 -2.421 18531 7869 1 31 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.048 0.012 18531 7870 1 31 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.186 0.014 18531 7871 1 31 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.465 0.435 18531 7872 1 31 . 1 1 10 10 LYS H H 10 9.520 9.520 8.767 0.753 18531 7873 1 31 . 1 1 11 11 THR N N 11 108.900 108.900 107.619 1.281 18531 7874 1 31 . 1 1 11 11 THR HA H 11 4.360 4.360 4.394 -0.034 18531 7875 1 31 . 1 1 11 11 THR CA C 11 62.000 62.000 62.031 -0.031 18531 7876 1 31 . 1 1 11 11 THR CB C 11 69.800 69.800 69.850 -0.050 18531 7877 1 31 . 1 1 11 11 THR H H 11 8.790 8.790 7.993 0.797 18531 7878 1 31 . 1 1 12 12 LEU N N 12 125.700 125.700 123.684 2.016 18531 7879 1 31 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.577 -0.137 18531 7880 1 31 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.359 0.641 18531 7881 1 31 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.215 0.085 18531 7882 1 31 . 1 1 12 12 LEU H H 12 7.580 7.580 7.878 -0.298 18531 7883 1 31 . 1 1 13 13 LYS N N 13 123.500 123.500 125.821 -2.321 18531 7884 1 31 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.114 0.006 18531 7885 1 31 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.261 -1.361 18531 7886 1 31 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.376 -0.576 18531 7887 1 31 . 1 1 13 13 LYS H H 13 8.140 8.140 8.515 -0.375 18531 7888 1 31 . 1 1 14 14 GLY N N 14 109.100 109.100 111.331 -2.231 18531 7889 1 31 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.655 -0.455 18531 7890 1 31 . 1 1 14 14 GLY H H 14 8.340 8.340 8.878 -0.538 18531 7891 1 31 . 1 1 15 15 GLU N N 15 118.200 118.200 118.901 -0.701 18531 7892 1 31 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.052 0.548 18531 7893 1 31 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.651 -1.151 18531 7894 1 31 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.335 0.465 18531 7895 1 31 . 1 1 15 15 GLU H H 15 8.390 8.390 8.533 -0.143 18531 7896 1 31 . 1 1 16 16 THR N N 16 115.600 115.600 113.687 1.913 18531 7897 1 31 . 1 1 16 16 THR HA H 16 4.730 4.730 4.626 0.104 18531 7898 1 31 . 1 1 16 16 THR CA C 16 60.600 60.600 61.712 -1.112 18531 7899 1 31 . 1 1 16 16 THR CB C 16 69.500 69.500 70.261 -0.761 18531 7900 1 31 . 1 1 16 16 THR H H 16 8.820 8.820 8.949 -0.129 18531 7901 1 31 . 1 1 17 17 THR N N 17 111.800 111.800 113.528 -1.728 18531 7902 1 31 . 1 1 17 17 THR HA H 17 5.790 5.790 4.870 0.920 18531 7903 1 31 . 1 1 17 17 THR CA C 17 59.800 59.800 60.361 -0.561 18531 7904 1 31 . 1 1 17 17 THR CB C 17 73.100 73.100 72.002 1.098 18531 7905 1 31 . 1 1 17 17 THR H H 17 8.140 8.140 8.007 0.133 18531 7906 1 31 . 1 1 18 18 THR N N 18 115.100 115.100 113.972 1.128 18531 7907 1 31 . 1 1 18 18 THR HA H 18 4.640 4.640 4.497 0.143 18531 7908 1 31 . 1 1 18 18 THR CA C 18 61.900 61.900 61.385 0.515 18531 7909 1 31 . 1 1 18 18 THR CB C 18 70.000 70.000 69.561 0.438 18531 7910 1 31 . 1 1 18 18 THR H H 18 8.930 8.930 8.210 0.720 18531 7911 1 31 . 1 1 19 19 LYS N N 19 124.300 124.300 120.395 3.905 18531 7912 1 31 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.702 0.628 18531 7913 1 31 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.627 -0.626 18531 7914 1 31 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.313 -0.513 18531 7915 1 31 . 1 1 19 19 LYS H H 19 7.950 7.950 8.241 -0.291 18531 7916 1 31 . 1 1 20 20 ALA N N 20 124.600 124.600 125.766 -1.166 18531 7917 1 31 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.518 0.263 18531 7918 1 31 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.301 -0.401 18531 7919 1 31 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.241 2.559 18531 7920 1 31 . 1 1 20 20 ALA H H 20 9.110 9.110 8.024 1.086 18531 7921 1 31 . 1 1 21 21 VAL N N 21 115.300 115.300 115.827 -0.527 18531 7922 1 31 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.885 0.225 18531 7923 1 31 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.391 -1.091 18531 7924 1 31 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.415 0.785 18531 7925 1 31 . 1 1 21 21 VAL H H 21 8.480 8.480 8.264 0.216 18531 7926 1 31 . 1 1 22 22 ASP N N 22 115.200 115.200 115.143 0.057 18531 7927 1 31 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.755 -0.045 18531 7928 1 31 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.700 -0.300 18531 7929 1 31 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.907 0.292 18531 7930 1 31 . 1 1 22 22 ASP H H 22 7.310 7.310 7.736 -0.426 18531 7931 1 31 . 1 1 23 23 ALA N N 23 121.000 121.000 121.127 -0.127 18531 7932 1 31 . 1 1 23 23 ALA HA H 23 3.340 3.340 4.154 -0.814 18531 7933 1 31 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.776 0.124 18531 7934 1 31 . 1 1 23 23 ALA CB C 23 17.500 17.500 19.065 -1.565 18531 7935 1 31 . 1 1 23 23 ALA H H 23 8.370 8.370 8.675 -0.305 18531 7936 1 31 . 1 1 24 24 GLU N N 24 118.900 118.900 118.691 0.209 18531 7937 1 31 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.934 -0.074 18531 7938 1 31 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.312 0.389 18531 7939 1 31 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.340 -0.239 18531 7940 1 31 . 1 1 24 24 GLU H H 24 8.410 8.410 7.997 0.413 18531 7941 1 31 . 1 1 25 25 THR N N 25 117.400 117.400 115.484 1.916 18531 7942 1 31 . 1 1 25 25 THR HA H 25 3.670 3.670 3.942 -0.272 18531 7943 1 31 . 1 1 25 25 THR CA C 25 66.800 66.800 65.941 0.859 18531 7944 1 31 . 1 1 25 25 THR CB C 25 68.000 68.000 68.260 -0.260 18531 7945 1 31 . 1 1 25 25 THR H H 25 8.380 8.380 8.917 -0.537 18531 7946 1 31 . 1 1 26 26 ALA N N 26 125.100 125.100 123.464 1.636 18531 7947 1 31 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.808 -0.618 18531 7948 1 31 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.090 0.910 18531 7949 1 31 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.923 -0.623 18531 7950 1 31 . 1 1 26 26 ALA H H 26 7.220 7.220 7.237 -0.017 18531 7951 1 31 . 1 1 27 27 GLU N N 27 117.400 117.400 119.875 -2.475 18531 7952 1 31 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.921 -1.331 18531 7953 1 31 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.965 -0.265 18531 7954 1 31 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.509 -0.309 18531 7955 1 31 . 1 1 27 27 GLU H H 27 8.370 8.370 8.314 0.056 18531 7956 1 31 . 1 1 28 28 LYS N N 28 116.300 116.300 118.465 -2.165 18531 7957 1 31 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.931 -0.261 18531 7958 1 31 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.633 -0.033 18531 7959 1 31 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.069 0.131 18531 7960 1 31 . 1 1 28 28 LYS H H 28 7.170 7.170 7.598 -0.428 18531 7961 1 31 . 1 1 29 29 ALA N N 29 122.000 122.000 120.760 1.240 18531 7962 1 31 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.123 -0.033 18531 7963 1 31 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.240 0.460 18531 7964 1 31 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.218 -0.718 18531 7965 1 31 . 1 1 29 29 ALA H H 29 7.200 7.200 7.129 0.071 18531 7966 1 31 . 1 1 30 30 PHE N N 30 119.600 119.600 118.762 0.838 18531 7967 1 31 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.265 0.515 18531 7968 1 31 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.720 -3.120 18531 7969 1 31 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.443 -1.043 18531 7970 1 31 . 1 1 30 30 PHE H H 30 8.610 8.610 7.974 0.636 18531 7971 1 31 . 1 1 31 31 LYS N N 31 122.800 122.800 118.735 4.065 18531 7972 1 31 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.567 0.523 18531 7973 1 31 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.586 0.114 18531 7974 1 31 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.648 -0.049 18531 7975 1 31 . 1 1 31 31 LYS H H 31 9.030 9.030 8.464 0.566 18531 7976 1 31 . 1 1 32 32 GLN N N 32 119.600 119.600 119.026 0.574 18531 7977 1 31 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531 7978 1 31 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.425 -0.725 18531 7979 1 31 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.317 -0.217 18531 7980 1 31 . 1 1 32 32 GLN H H 32 7.510 7.510 7.663 -0.153 18531 7981 1 31 . 1 1 33 33 TYR N N 33 120.400 120.400 119.806 0.594 18531 7982 1 31 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.135 0.116 18531 7983 1 31 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.668 0.132 18531 7984 1 31 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.330 0.370 18531 7985 1 31 . 1 1 33 33 TYR H H 33 8.080 8.080 7.823 0.257 18531 7986 1 31 . 1 1 34 34 ALA N N 34 122.300 122.300 121.900 0.400 18531 7987 1 31 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.219 -0.439 18531 7988 1 31 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.239 0.861 18531 7989 1 31 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.821 -1.121 18531 7990 1 31 . 1 1 34 34 ALA H H 34 9.210 9.210 7.537 1.673 18531 7991 1 31 . 1 1 35 35 ASN N N 35 117.700 117.700 117.318 0.382 18531 7992 1 31 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.483 -0.023 18531 7993 1 31 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.725 1.274 18531 7994 1 31 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.195 0.805 18531 7995 1 31 . 1 1 35 35 ASN H H 35 8.390 8.390 8.258 0.132 18531 7996 1 31 . 1 1 36 36 ASP N N 36 121.100 121.100 120.844 0.256 18531 7997 1 31 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.449 -0.089 18531 7998 1 31 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.873 -0.173 18531 7999 1 31 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.945 -0.945 18531 8000 1 31 . 1 1 36 36 ASP H H 36 8.830 8.830 8.720 0.110 18531 8001 1 31 . 1 1 37 37 ASN N N 37 115.200 115.200 114.308 0.892 18531 8002 1 31 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.840 -0.230 18531 8003 1 31 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.062 0.638 18531 8004 1 31 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.212 0.788 18531 8005 1 31 . 1 1 37 37 ASN H H 37 7.390 7.390 7.590 -0.200 18531 8006 1 31 . 1 1 38 38 GLY N N 38 108.200 108.200 106.876 1.324 18531 8007 1 31 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.487 0.913 18531 8008 1 31 . 1 1 38 38 GLY H H 38 7.800 7.800 8.018 -0.218 18531 8009 1 31 . 1 1 39 39 VAL N N 39 120.800 120.800 121.940 -1.140 18531 8010 1 31 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.342 -0.202 18531 8011 1 31 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.300 0.400 18531 8012 1 31 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.609 1.691 18531 8013 1 31 . 1 1 39 39 VAL H H 39 8.120 8.120 7.904 0.216 18531 8014 1 31 . 1 1 40 40 ASP N N 40 128.000 128.000 126.664 1.336 18531 8015 1 31 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.059 -0.169 18531 8016 1 31 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.697 0.103 18531 8017 1 31 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.513 -1.413 18531 8018 1 31 . 1 1 40 40 ASP H H 40 8.770 8.770 8.180 0.590 18531 8019 1 31 . 1 1 41 41 GLY N N 41 107.100 107.100 109.219 -2.119 18531 8020 1 31 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.342 0.058 18531 8021 1 31 . 1 1 41 41 GLY H H 41 7.910 7.910 8.435 -0.525 18531 8022 1 31 . 1 1 42 42 VAL N N 42 120.300 120.300 123.928 -3.628 18531 8023 1 31 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.329 0.051 18531 8024 1 31 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.798 0.302 18531 8025 1 31 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.555 0.845 18531 8026 1 31 . 1 1 42 42 VAL H H 42 8.250 8.250 7.873 0.377 18531 8027 1 31 . 1 1 43 43 TRP N N 43 130.700 130.700 127.065 3.635 18531 8028 1 31 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.388 -0.028 18531 8029 1 31 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.843 1.757 18531 8030 1 31 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.703 -1.503 18531 8031 1 31 . 1 1 43 43 TRP H H 43 9.360 9.360 8.553 0.807 18531 8032 1 31 . 1 1 44 44 THR N N 44 114.500 114.500 116.605 -2.105 18531 8033 1 31 . 1 1 44 44 THR HA H 44 4.830 4.830 4.742 0.088 18531 8034 1 31 . 1 1 44 44 THR CA C 44 60.300 60.300 60.045 0.255 18531 8035 1 31 . 1 1 44 44 THR CB C 44 72.100 72.100 71.332 0.768 18531 8036 1 31 . 1 1 44 44 THR H H 44 9.400 9.400 8.418 0.982 18531 8037 1 31 . 1 1 45 45 TYR N N 45 120.100 120.100 118.425 1.675 18531 8038 1 31 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.026 -0.056 18531 8039 1 31 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.072 0.928 18531 8040 1 31 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.175 0.425 18531 8041 1 31 . 1 1 45 45 TYR H H 45 8.580 8.580 8.161 0.419 18531 8042 1 31 . 1 1 46 46 ASP N N 46 128.300 128.300 124.843 3.457 18531 8043 1 31 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.427 0.153 18531 8044 1 31 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.573 0.327 18531 8045 1 31 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.912 1.188 18531 8046 1 31 . 1 1 46 46 ASP H H 46 7.580 7.580 8.417 -0.837 18531 8047 1 31 . 1 1 47 47 ASP N N 47 124.800 124.800 125.561 -0.761 18531 8048 1 31 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.410 -0.300 18531 8049 1 31 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.846 -0.346 18531 8050 1 31 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.562 1.538 18531 8051 1 31 . 1 1 47 47 ASP H H 47 8.590 8.590 8.254 0.336 18531 8052 1 31 . 1 1 48 48 ALA N N 48 119.700 119.700 123.259 -3.559 18531 8053 1 31 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.101 -0.011 18531 8054 1 31 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.560 0.440 18531 8055 1 31 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.877 -0.577 18531 8056 1 31 . 1 1 48 48 ALA H H 48 8.340 8.340 7.912 0.428 18531 8057 1 31 . 1 1 49 49 THR N N 49 103.200 103.200 107.070 -3.870 18531 8058 1 31 . 1 1 49 49 THR HA H 49 4.390 4.390 4.506 -0.116 18531 8059 1 31 . 1 1 49 49 THR CA C 49 60.200 60.200 60.648 -0.448 18531 8060 1 31 . 1 1 49 49 THR CB C 49 70.000 70.000 69.204 0.797 18531 8061 1 31 . 1 1 49 49 THR H H 49 7.000 7.000 8.006 -1.006 18531 8062 1 31 . 1 1 50 50 LYS N N 50 123.100 123.100 118.963 4.137 18531 8063 1 31 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.990 0.200 18531 8064 1 31 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.304 -0.704 18531 8065 1 31 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.528 -0.928 18531 8066 1 31 . 1 1 50 50 LYS H H 50 7.860 7.860 7.555 0.305 18531 8067 1 31 . 1 1 51 51 THR N N 51 111.200 111.200 115.447 -4.247 18531 8068 1 31 . 1 1 51 51 THR HA H 51 5.490 5.490 4.824 0.666 18531 8069 1 31 . 1 1 51 51 THR CA C 51 62.300 62.300 62.261 0.039 18531 8070 1 31 . 1 1 51 51 THR CB C 51 72.100 72.100 69.975 2.124 18531 8071 1 31 . 1 1 51 51 THR H H 51 7.390 7.390 7.577 -0.187 18531 8072 1 31 . 1 1 52 52 PHE N N 52 131.000 131.000 128.716 2.284 18531 8073 1 31 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.299 0.331 18531 8074 1 31 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.469 0.831 18531 8075 1 31 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.051 0.549 18531 8076 1 31 . 1 1 52 52 PHE H H 52 10.390 10.390 8.663 1.727 18531 8077 1 31 . 1 1 53 53 THR N N 53 117.400 117.400 117.975 -0.575 18531 8078 1 31 . 1 1 53 53 THR HA H 53 5.270 5.270 4.538 0.732 18531 8079 1 31 . 1 1 53 53 THR CA C 53 61.200 61.200 61.373 -0.173 18531 8080 1 31 . 1 1 53 53 THR CB C 53 71.000 71.000 71.439 -0.439 18531 8081 1 31 . 1 1 53 53 THR H H 53 9.180 9.180 9.020 0.160 18531 8082 1 31 . 1 1 54 54 VAL N N 54 123.000 123.000 126.528 -3.528 18531 8083 1 31 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.159 0.301 18531 8084 1 31 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.143 -1.043 18531 8085 1 31 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.011 0.289 18531 8086 1 31 . 1 1 54 54 VAL H H 54 8.280 8.280 7.805 0.475 18531 8087 1 31 . 1 1 55 55 THR N N 55 123.900 123.900 124.074 -0.174 18531 8088 1 31 . 1 1 55 55 THR HA H 55 4.700 4.700 4.533 0.167 18531 8089 1 31 . 1 1 55 55 THR CA C 55 61.200 61.200 61.490 -0.290 18531 8090 1 31 . 1 1 55 55 THR CB C 55 70.700 70.700 70.525 0.174 18531 8091 1 31 . 1 1 55 55 THR H H 55 8.320 8.320 8.351 -0.031 18531 8092 1 32 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.537 0.513 18531 8093 1 32 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.737 -0.137 18531 8094 1 32 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.105 -1.405 18531 8095 1 32 . 1 1 2 2 GLN H H 2 8.410 8.410 7.897 0.513 18531 8096 1 32 . 1 1 3 3 TYR N N 3 124.000 124.000 122.595 1.405 18531 8097 1 32 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.302 0.058 18531 8098 1 32 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.669 0.431 18531 8099 1 32 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.812 1.788 18531 8100 1 32 . 1 1 3 3 TYR H H 3 9.070 9.070 8.323 0.747 18531 8101 1 32 . 1 1 4 4 LYS N N 4 122.500 122.500 122.345 0.155 18531 8102 1 32 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.915 0.305 18531 8103 1 32 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.831 0.169 18531 8104 1 32 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.663 0.337 18531 8105 1 32 . 1 1 4 4 LYS H H 4 9.100 9.100 8.879 0.221 18531 8106 1 32 . 1 1 5 5 LEU N N 5 126.400 126.400 126.301 0.099 18531 8107 1 32 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.987 -0.017 18531 8108 1 32 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.626 -0.826 18531 8109 1 32 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.492 -3.892 18531 8110 1 32 . 1 1 5 5 LEU H H 5 8.620 8.620 8.265 0.355 18531 8111 1 32 . 1 1 6 6 VAL N N 6 127.000 127.000 124.639 2.361 18531 8112 1 32 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.279 -0.119 18531 8113 1 32 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.598 0.702 18531 8114 1 32 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.946 -1.246 18531 8115 1 32 . 1 1 6 6 VAL H H 6 9.190 9.190 8.135 1.055 18531 8116 1 32 . 1 1 7 7 ILE N N 7 125.400 125.400 128.918 -3.518 18531 8117 1 32 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.130 -0.040 18531 8118 1 32 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.166 -0.466 18531 8119 1 32 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.164 0.836 18531 8120 1 32 . 1 1 7 7 ILE H H 7 8.800 8.800 8.653 0.147 18531 8121 1 32 . 1 1 8 8 ASN N N 8 128.900 128.900 127.894 1.006 18531 8122 1 32 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.981 0.299 18531 8123 1 32 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.267 -1.467 18531 8124 1 32 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.392 -0.292 18531 8125 1 32 . 1 1 8 8 ASN H H 8 8.990 8.990 7.921 1.069 18531 8126 1 32 . 1 1 9 9 GLY N N 9 110.200 110.200 107.833 2.367 18531 8127 1 32 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.302 0.398 18531 8128 1 32 . 1 1 9 9 GLY H H 9 7.920 7.920 8.064 -0.144 18531 8129 1 32 . 1 1 10 10 LYS N N 10 120.700 120.700 120.198 0.502 18531 8130 1 32 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.013 0.047 18531 8131 1 32 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.717 0.483 18531 8132 1 32 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.214 0.686 18531 8133 1 32 . 1 1 10 10 LYS H H 10 9.520 9.520 8.567 0.953 18531 8134 1 32 . 1 1 11 11 THR N N 11 108.900 108.900 108.558 0.342 18531 8135 1 32 . 1 1 11 11 THR HA H 11 4.360 4.360 4.301 0.059 18531 8136 1 32 . 1 1 11 11 THR CA C 11 62.000 62.000 62.063 -0.063 18531 8137 1 32 . 1 1 11 11 THR CB C 11 69.800 69.800 69.370 0.430 18531 8138 1 32 . 1 1 11 11 THR H H 11 8.790 8.790 7.509 1.281 18531 8139 1 32 . 1 1 12 12 LEU N N 12 125.700 125.700 123.922 1.778 18531 8140 1 32 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.653 -0.213 18531 8141 1 32 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.093 0.908 18531 8142 1 32 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.433 -0.133 18531 8143 1 32 . 1 1 12 12 LEU H H 12 7.580 7.580 7.745 -0.165 18531 8144 1 32 . 1 1 13 13 LYS N N 13 123.500 123.500 125.848 -2.348 18531 8145 1 32 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.056 0.064 18531 8146 1 32 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.340 -1.440 18531 8147 1 32 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.295 -0.495 18531 8148 1 32 . 1 1 13 13 LYS H H 13 8.140 8.140 8.501 -0.361 18531 8149 1 32 . 1 1 14 14 GLY N N 14 109.100 109.100 111.496 -2.396 18531 8150 1 32 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.390 -0.190 18531 8151 1 32 . 1 1 14 14 GLY H H 14 8.340 8.340 8.899 -0.559 18531 8152 1 32 . 1 1 15 15 GLU N N 15 118.200 118.200 118.862 -0.662 18531 8153 1 32 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.616 0.984 18531 8154 1 32 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.269 -1.769 18531 8155 1 32 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.720 0.080 18531 8156 1 32 . 1 1 15 15 GLU H H 15 8.390 8.390 8.595 -0.205 18531 8157 1 32 . 1 1 16 16 THR N N 16 115.600 115.600 117.034 -1.434 18531 8158 1 32 . 1 1 16 16 THR HA H 16 4.730 4.730 4.721 0.009 18531 8159 1 32 . 1 1 16 16 THR CA C 16 60.600 60.600 60.699 -0.099 18531 8160 1 32 . 1 1 16 16 THR CB C 16 69.500 69.500 70.053 -0.553 18531 8161 1 32 . 1 1 16 16 THR H H 16 8.820 8.820 8.200 0.620 18531 8162 1 32 . 1 1 17 17 THR N N 17 111.800 111.800 114.491 -2.691 18531 8163 1 32 . 1 1 17 17 THR HA H 17 5.790 5.790 5.106 0.684 18531 8164 1 32 . 1 1 17 17 THR CA C 17 59.800 59.800 60.338 -0.538 18531 8165 1 32 . 1 1 17 17 THR CB C 17 73.100 73.100 71.844 1.256 18531 8166 1 32 . 1 1 17 17 THR H H 17 8.140 8.140 8.176 -0.036 18531 8167 1 32 . 1 1 18 18 THR N N 18 115.100 115.100 115.501 -0.401 18531 8168 1 32 . 1 1 18 18 THR HA H 18 4.640 4.640 4.547 0.093 18531 8169 1 32 . 1 1 18 18 THR CA C 18 61.900 61.900 61.380 0.520 18531 8170 1 32 . 1 1 18 18 THR CB C 18 70.000 70.000 70.112 -0.112 18531 8171 1 32 . 1 1 18 18 THR H H 18 8.930 8.930 8.376 0.554 18531 8172 1 32 . 1 1 19 19 LYS N N 19 124.300 124.300 125.596 -1.296 18531 8173 1 32 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.767 0.563 18531 8174 1 32 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.556 -0.556 18531 8175 1 32 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.630 0.170 18531 8176 1 32 . 1 1 19 19 LYS H H 19 7.950 7.950 8.418 -0.468 18531 8177 1 32 . 1 1 20 20 ALA N N 20 124.600 124.600 126.105 -1.505 18531 8178 1 32 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.731 0.049 18531 8179 1 32 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.573 -0.673 18531 8180 1 32 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.696 2.104 18531 8181 1 32 . 1 1 20 20 ALA H H 20 9.110 9.110 8.204 0.906 18531 8182 1 32 . 1 1 21 21 VAL N N 21 115.300 115.300 117.573 -2.273 18531 8183 1 32 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.796 0.314 18531 8184 1 32 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.546 -1.246 18531 8185 1 32 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.541 0.659 18531 8186 1 32 . 1 1 21 21 VAL H H 21 8.480 8.480 8.712 -0.232 18531 8187 1 32 . 1 1 22 22 ASP N N 22 115.200 115.200 113.797 1.403 18531 8188 1 32 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.878 -0.168 18531 8189 1 32 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.168 0.232 18531 8190 1 32 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.460 -0.260 18531 8191 1 32 . 1 1 22 22 ASP H H 22 7.310 7.310 7.684 -0.374 18531 8192 1 32 . 1 1 23 23 ALA N N 23 121.000 121.000 121.336 -0.336 18531 8193 1 32 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.743 -0.403 18531 8194 1 32 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.381 0.519 18531 8195 1 32 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.761 -1.261 18531 8196 1 32 . 1 1 23 23 ALA H H 23 8.370 8.370 8.760 -0.390 18531 8197 1 32 . 1 1 24 24 GLU N N 24 118.900 118.900 119.659 -0.759 18531 8198 1 32 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.882 -0.022 18531 8199 1 32 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.413 0.287 18531 8200 1 32 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.959 0.141 18531 8201 1 32 . 1 1 24 24 GLU H H 24 8.410 8.410 8.240 0.170 18531 8202 1 32 . 1 1 25 25 THR N N 25 117.400 117.400 114.068 3.332 18531 8203 1 32 . 1 1 25 25 THR HA H 25 3.670 3.670 4.030 -0.360 18531 8204 1 32 . 1 1 25 25 THR CA C 25 66.800 66.800 64.703 2.097 18531 8205 1 32 . 1 1 25 25 THR CB C 25 68.000 68.000 68.646 -0.646 18531 8206 1 32 . 1 1 25 25 THR H H 25 8.380 8.380 8.849 -0.469 18531 8207 1 32 . 1 1 26 26 ALA N N 26 125.100 125.100 124.170 0.930 18531 8208 1 32 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.871 -0.681 18531 8209 1 32 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.041 -0.041 18531 8210 1 32 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.941 -0.641 18531 8211 1 32 . 1 1 26 26 ALA H H 26 7.220 7.220 7.339 -0.119 18531 8212 1 32 . 1 1 27 27 GLU N N 27 117.400 117.400 118.965 -1.565 18531 8213 1 32 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.628 -1.038 18531 8214 1 32 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.470 0.230 18531 8215 1 32 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.212 -0.012 18531 8216 1 32 . 1 1 27 27 GLU H H 27 8.370 8.370 8.000 0.370 18531 8217 1 32 . 1 1 28 28 LYS N N 28 116.300 116.300 118.428 -2.128 18531 8218 1 32 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.923 -0.253 18531 8219 1 32 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.291 0.309 18531 8220 1 32 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.007 0.193 18531 8221 1 32 . 1 1 28 28 LYS H H 28 7.170 7.170 7.554 -0.384 18531 8222 1 32 . 1 1 29 29 ALA N N 29 122.000 122.000 122.010 -0.010 18531 8223 1 32 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.220 -0.130 18531 8224 1 32 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.460 0.240 18531 8225 1 32 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.263 -0.763 18531 8226 1 32 . 1 1 29 29 ALA H H 29 7.200 7.200 7.198 0.002 18531 8227 1 32 . 1 1 30 30 PHE N N 30 119.600 119.600 118.769 0.831 18531 8228 1 32 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.154 0.626 18531 8229 1 32 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.568 -3.968 18531 8230 1 32 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.470 -1.070 18531 8231 1 32 . 1 1 30 30 PHE H H 30 8.610 8.610 8.399 0.211 18531 8232 1 32 . 1 1 31 31 LYS N N 31 122.800 122.800 117.410 5.390 18531 8233 1 32 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.542 0.548 18531 8234 1 32 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.972 0.728 18531 8235 1 32 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.498 0.102 18531 8236 1 32 . 1 1 31 31 LYS H H 31 9.030 9.030 8.387 0.643 18531 8237 1 32 . 1 1 32 32 GLN N N 32 119.600 119.600 119.104 0.496 18531 8238 1 32 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.986 0.044 18531 8239 1 32 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.450 -0.750 18531 8240 1 32 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.176 -0.076 18531 8241 1 32 . 1 1 32 32 GLN H H 32 7.510 7.510 7.847 -0.337 18531 8242 1 32 . 1 1 33 33 TYR N N 33 120.400 120.400 119.023 1.377 18531 8243 1 32 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.235 0.015 18531 8244 1 32 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.173 0.627 18531 8245 1 32 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.188 0.512 18531 8246 1 32 . 1 1 33 33 TYR H H 33 8.080 8.080 7.941 0.139 18531 8247 1 32 . 1 1 34 34 ALA N N 34 122.300 122.300 122.458 -0.158 18531 8248 1 32 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.160 -0.380 18531 8249 1 32 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.095 1.005 18531 8250 1 32 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.778 -1.078 18531 8251 1 32 . 1 1 34 34 ALA H H 34 9.210 9.210 7.962 1.248 18531 8252 1 32 . 1 1 35 35 ASN N N 35 117.700 117.700 117.412 0.288 18531 8253 1 32 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.475 -0.015 18531 8254 1 32 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.756 1.244 18531 8255 1 32 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.056 0.944 18531 8256 1 32 . 1 1 35 35 ASN H H 35 8.390 8.390 8.224 0.166 18531 8257 1 32 . 1 1 36 36 ASP N N 36 121.100 121.100 120.819 0.281 18531 8258 1 32 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.403 -0.043 18531 8259 1 32 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.756 -0.056 18531 8260 1 32 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.326 -0.326 18531 8261 1 32 . 1 1 36 36 ASP H H 36 8.830 8.830 8.769 0.061 18531 8262 1 32 . 1 1 37 37 ASN N N 37 115.200 115.200 114.880 0.320 18531 8263 1 32 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.665 -0.055 18531 8264 1 32 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.395 0.305 18531 8265 1 32 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.581 0.419 18531 8266 1 32 . 1 1 37 37 ASN H H 37 7.390 7.390 7.558 -0.168 18531 8267 1 32 . 1 1 38 38 GLY N N 38 108.200 108.200 107.858 0.342 18531 8268 1 32 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.658 0.742 18531 8269 1 32 . 1 1 38 38 GLY H H 38 7.800 7.800 7.901 -0.101 18531 8270 1 32 . 1 1 39 39 VAL N N 39 120.800 120.800 121.268 -0.468 18531 8271 1 32 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.324 -0.184 18531 8272 1 32 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.489 -0.789 18531 8273 1 32 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.435 0.865 18531 8274 1 32 . 1 1 39 39 VAL H H 39 8.120 8.120 7.953 0.167 18531 8275 1 32 . 1 1 40 40 ASP N N 40 128.000 128.000 126.305 1.695 18531 8276 1 32 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.127 -0.237 18531 8277 1 32 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.455 0.345 18531 8278 1 32 . 1 1 40 40 ASP CB C 40 43.100 43.100 45.044 -1.944 18531 8279 1 32 . 1 1 40 40 ASP H H 40 8.770 8.770 8.215 0.555 18531 8280 1 32 . 1 1 41 41 GLY N N 41 107.100 107.100 108.335 -1.235 18531 8281 1 32 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.265 0.135 18531 8282 1 32 . 1 1 41 41 GLY H H 41 7.910 7.910 8.295 -0.385 18531 8283 1 32 . 1 1 42 42 VAL N N 42 120.300 120.300 123.163 -2.863 18531 8284 1 32 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.584 -0.204 18531 8285 1 32 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.617 1.483 18531 8286 1 32 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.724 0.676 18531 8287 1 32 . 1 1 42 42 VAL H H 42 8.250 8.250 8.129 0.121 18531 8288 1 32 . 1 1 43 43 TRP N N 43 130.700 130.700 130.145 0.555 18531 8289 1 32 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.675 -0.315 18531 8290 1 32 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.742 1.858 18531 8291 1 32 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.219 -2.019 18531 8292 1 32 . 1 1 43 43 TRP H H 43 9.360 9.360 8.537 0.823 18531 8293 1 32 . 1 1 44 44 THR N N 44 114.500 114.500 113.071 1.429 18531 8294 1 32 . 1 1 44 44 THR HA H 44 4.830 4.830 4.673 0.157 18531 8295 1 32 . 1 1 44 44 THR CA C 44 60.300 60.300 60.613 -0.313 18531 8296 1 32 . 1 1 44 44 THR CB C 44 72.100 72.100 71.764 0.336 18531 8297 1 32 . 1 1 44 44 THR H H 44 9.400 9.400 8.764 0.636 18531 8298 1 32 . 1 1 45 45 TYR N N 45 120.100 120.100 123.142 -3.042 18531 8299 1 32 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.542 0.428 18531 8300 1 32 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.083 -0.083 18531 8301 1 32 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.579 0.021 18531 8302 1 32 . 1 1 45 45 TYR H H 45 8.580 8.580 8.464 0.116 18531 8303 1 32 . 1 1 46 46 ASP N N 46 128.300 128.300 128.784 -0.484 18531 8304 1 32 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.566 0.014 18531 8305 1 32 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.974 -0.074 18531 8306 1 32 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.986 1.113 18531 8307 1 32 . 1 1 46 46 ASP H H 46 7.580 7.580 7.888 -0.308 18531 8308 1 32 . 1 1 47 47 ASP N N 47 124.800 124.800 126.083 -1.283 18531 8309 1 32 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.320 -0.210 18531 8310 1 32 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.648 -0.148 18531 8311 1 32 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.551 1.549 18531 8312 1 32 . 1 1 47 47 ASP H H 47 8.590 8.590 8.088 0.502 18531 8313 1 32 . 1 1 48 48 ALA N N 48 119.700 119.700 121.533 -1.833 18531 8314 1 32 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.029 0.061 18531 8315 1 32 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.572 0.428 18531 8316 1 32 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.875 -0.576 18531 8317 1 32 . 1 1 48 48 ALA H H 48 8.340 8.340 7.842 0.498 18531 8318 1 32 . 1 1 49 49 THR N N 49 103.200 103.200 106.470 -3.270 18531 8319 1 32 . 1 1 49 49 THR HA H 49 4.390 4.390 4.452 -0.062 18531 8320 1 32 . 1 1 49 49 THR CA C 49 60.200 60.200 60.267 -0.067 18531 8321 1 32 . 1 1 49 49 THR CB C 49 70.000 70.000 68.790 1.210 18531 8322 1 32 . 1 1 49 49 THR H H 49 7.000 7.000 7.736 -0.736 18531 8323 1 32 . 1 1 50 50 LYS N N 50 123.100 123.100 120.108 2.992 18531 8324 1 32 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.919 0.271 18531 8325 1 32 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.677 -1.077 18531 8326 1 32 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.206 -0.605 18531 8327 1 32 . 1 1 50 50 LYS H H 50 7.860 7.860 7.976 -0.116 18531 8328 1 32 . 1 1 51 51 THR N N 51 111.200 111.200 114.249 -3.049 18531 8329 1 32 . 1 1 51 51 THR HA H 51 5.490 5.490 5.288 0.202 18531 8330 1 32 . 1 1 51 51 THR CA C 51 62.300 62.300 61.614 0.686 18531 8331 1 32 . 1 1 51 51 THR CB C 51 72.100 72.100 72.326 -0.226 18531 8332 1 32 . 1 1 51 51 THR H H 51 7.390 7.390 7.320 0.070 18531 8333 1 32 . 1 1 52 52 PHE N N 52 131.000 131.000 124.889 6.111 18531 8334 1 32 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.297 0.333 18531 8335 1 32 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.802 1.498 18531 8336 1 32 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.009 0.591 18531 8337 1 32 . 1 1 52 52 PHE H H 52 10.390 10.390 9.384 1.006 18531 8338 1 32 . 1 1 53 53 THR N N 53 117.400 117.400 116.180 1.220 18531 8339 1 32 . 1 1 53 53 THR HA H 53 5.270 5.270 4.457 0.813 18531 8340 1 32 . 1 1 53 53 THR CA C 53 61.200 61.200 61.967 -0.766 18531 8341 1 32 . 1 1 53 53 THR CB C 53 71.000 71.000 70.548 0.452 18531 8342 1 32 . 1 1 53 53 THR H H 53 9.180 9.180 8.466 0.714 18531 8343 1 32 . 1 1 54 54 VAL N N 54 123.000 123.000 127.231 -4.231 18531 8344 1 32 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.800 0.660 18531 8345 1 32 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.151 -1.051 18531 8346 1 32 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.085 -0.785 18531 8347 1 32 . 1 1 54 54 VAL H H 54 8.280 8.280 7.626 0.654 18531 8348 1 32 . 1 1 55 55 THR N N 55 123.900 123.900 123.005 0.895 18531 8349 1 32 . 1 1 55 55 THR HA H 55 4.700 4.700 4.605 0.095 18531 8350 1 32 . 1 1 55 55 THR CA C 55 61.200 61.200 60.342 0.858 18531 8351 1 32 . 1 1 55 55 THR CB C 55 70.700 70.700 70.855 -0.155 18531 8352 1 32 . 1 1 55 55 THR H H 55 8.320 8.320 7.643 0.677 18531 8353 1 33 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.840 0.210 18531 8354 1 33 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.558 0.042 18531 8355 1 33 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.881 -1.181 18531 8356 1 33 . 1 1 2 2 GLN H H 2 8.410 8.410 7.923 0.487 18531 8357 1 33 . 1 1 3 3 TYR N N 3 124.000 124.000 122.089 1.911 18531 8358 1 33 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.196 0.164 18531 8359 1 33 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.395 0.705 18531 8360 1 33 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.788 1.812 18531 8361 1 33 . 1 1 3 3 TYR H H 3 9.070 9.070 8.316 0.754 18531 8362 1 33 . 1 1 4 4 LYS N N 4 122.500 122.500 120.329 2.171 18531 8363 1 33 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.907 0.313 18531 8364 1 33 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.472 0.528 18531 8365 1 33 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.938 0.062 18531 8366 1 33 . 1 1 4 4 LYS H H 4 9.100 9.100 8.498 0.602 18531 8367 1 33 . 1 1 5 5 LEU N N 5 126.400 126.400 123.984 2.416 18531 8368 1 33 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.605 -0.635 18531 8369 1 33 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.123 -1.323 18531 8370 1 33 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.293 -2.693 18531 8371 1 33 . 1 1 5 5 LEU H H 5 8.620 8.620 8.689 -0.069 18531 8372 1 33 . 1 1 6 6 VAL N N 6 127.000 127.000 127.583 -0.583 18531 8373 1 33 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.362 -0.202 18531 8374 1 33 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.801 0.499 18531 8375 1 33 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.875 -1.175 18531 8376 1 33 . 1 1 6 6 VAL H H 6 9.190 9.190 8.705 0.485 18531 8377 1 33 . 1 1 7 7 ILE N N 7 125.400 125.400 128.388 -2.988 18531 8378 1 33 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.395 -0.305 18531 8379 1 33 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.771 -0.071 18531 8380 1 33 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.877 0.123 18531 8381 1 33 . 1 1 7 7 ILE H H 7 8.800 8.800 7.886 0.914 18531 8382 1 33 . 1 1 8 8 ASN N N 8 128.900 128.900 126.751 2.149 18531 8383 1 33 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531 8384 1 33 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.202 -1.402 18531 8385 1 33 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.418 -1.318 18531 8386 1 33 . 1 1 8 8 ASN H H 8 8.990 8.990 8.042 0.948 18531 8387 1 33 . 1 1 9 9 GLY N N 9 110.200 110.200 108.078 2.122 18531 8388 1 33 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.111 0.589 18531 8389 1 33 . 1 1 9 9 GLY H H 9 7.920 7.920 7.605 0.315 18531 8390 1 33 . 1 1 10 10 LYS N N 10 120.700 120.700 118.849 1.851 18531 8391 1 33 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.280 -0.220 18531 8392 1 33 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.212 0.988 18531 8393 1 33 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.824 0.076 18531 8394 1 33 . 1 1 10 10 LYS H H 10 9.520 9.520 8.550 0.970 18531 8395 1 33 . 1 1 11 11 THR N N 11 108.900 108.900 109.934 -1.034 18531 8396 1 33 . 1 1 11 11 THR HA H 11 4.360 4.360 4.351 0.009 18531 8397 1 33 . 1 1 11 11 THR CA C 11 62.000 62.000 61.475 0.525 18531 8398 1 33 . 1 1 11 11 THR CB C 11 69.800 69.800 69.293 0.507 18531 8399 1 33 . 1 1 11 11 THR H H 11 8.790 8.790 7.493 1.297 18531 8400 1 33 . 1 1 12 12 LEU N N 12 125.700 125.700 123.452 2.248 18531 8401 1 33 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.438 0.002 18531 8402 1 33 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.049 -0.049 18531 8403 1 33 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.048 0.252 18531 8404 1 33 . 1 1 12 12 LEU H H 12 7.580 7.580 7.832 -0.252 18531 8405 1 33 . 1 1 13 13 LYS N N 13 123.500 123.500 125.654 -2.154 18531 8406 1 33 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.556 0.564 18531 8407 1 33 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.255 -2.355 18531 8408 1 33 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.397 1.403 18531 8409 1 33 . 1 1 13 13 LYS H H 13 8.140 8.140 8.566 -0.426 18531 8410 1 33 . 1 1 14 14 GLY N N 14 109.100 109.100 108.972 0.128 18531 8411 1 33 . 1 1 14 14 GLY CA C 14 45.200 45.200 43.966 1.234 18531 8412 1 33 . 1 1 14 14 GLY H H 14 8.340 8.340 8.032 0.308 18531 8413 1 33 . 1 1 15 15 GLU N N 15 118.200 118.200 120.509 -2.309 18531 8414 1 33 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.820 0.780 18531 8415 1 33 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.362 -0.862 18531 8416 1 33 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.783 1.017 18531 8417 1 33 . 1 1 15 15 GLU H H 15 8.390 8.390 8.488 -0.098 18531 8418 1 33 . 1 1 16 16 THR N N 16 115.600 115.600 119.681 -4.081 18531 8419 1 33 . 1 1 16 16 THR HA H 16 4.730 4.730 4.509 0.221 18531 8420 1 33 . 1 1 16 16 THR CA C 16 60.600 60.600 61.407 -0.807 18531 8421 1 33 . 1 1 16 16 THR CB C 16 69.500 69.500 68.656 0.844 18531 8422 1 33 . 1 1 16 16 THR H H 16 8.820 8.820 8.383 0.437 18531 8423 1 33 . 1 1 17 17 THR N N 17 111.800 111.800 117.426 -5.626 18531 8424 1 33 . 1 1 17 17 THR HA H 17 5.790 5.790 4.536 1.254 18531 8425 1 33 . 1 1 17 17 THR CA C 17 59.800 59.800 60.879 -1.079 18531 8426 1 33 . 1 1 17 17 THR CB C 17 73.100 73.100 71.314 1.786 18531 8427 1 33 . 1 1 17 17 THR H H 17 8.140 8.140 8.140 -0.000 18531 8428 1 33 . 1 1 18 18 THR N N 18 115.100 115.100 115.706 -0.606 18531 8429 1 33 . 1 1 18 18 THR HA H 18 4.640 4.640 4.579 0.061 18531 8430 1 33 . 1 1 18 18 THR CA C 18 61.900 61.900 61.065 0.835 18531 8431 1 33 . 1 1 18 18 THR CB C 18 70.000 70.000 69.794 0.206 18531 8432 1 33 . 1 1 18 18 THR H H 18 8.930 8.930 8.612 0.318 18531 8433 1 33 . 1 1 19 19 LYS N N 19 124.300 124.300 119.470 4.830 18531 8434 1 33 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.967 0.363 18531 8435 1 33 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.382 -0.382 18531 8436 1 33 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.814 -1.014 18531 8437 1 33 . 1 1 19 19 LYS H H 19 7.950 7.950 8.392 -0.442 18531 8438 1 33 . 1 1 20 20 ALA N N 20 124.600 124.600 124.911 -0.311 18531 8439 1 33 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.715 0.065 18531 8440 1 33 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.589 -0.689 18531 8441 1 33 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.735 2.065 18531 8442 1 33 . 1 1 20 20 ALA H H 20 9.110 9.110 8.337 0.773 18531 8443 1 33 . 1 1 21 21 VAL N N 21 115.300 115.300 119.707 -4.407 18531 8444 1 33 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.847 0.263 18531 8445 1 33 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.555 -1.255 18531 8446 1 33 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.061 0.139 18531 8447 1 33 . 1 1 21 21 VAL H H 21 8.480 8.480 8.597 -0.117 18531 8448 1 33 . 1 1 22 22 ASP N N 22 115.200 115.200 115.936 -0.736 18531 8449 1 33 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.942 -0.232 18531 8450 1 33 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.139 -0.739 18531 8451 1 33 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.622 -0.422 18531 8452 1 33 . 1 1 22 22 ASP H H 22 7.310 7.310 7.613 -0.303 18531 8453 1 33 . 1 1 23 23 ALA N N 23 121.000 121.000 124.827 -3.827 18531 8454 1 33 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.318 0.022 18531 8455 1 33 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.974 -0.074 18531 8456 1 33 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.602 -1.102 18531 8457 1 33 . 1 1 23 23 ALA H H 23 8.370 8.370 8.698 -0.328 18531 8458 1 33 . 1 1 24 24 GLU N N 24 118.900 118.900 117.804 1.096 18531 8459 1 33 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.838 0.022 18531 8460 1 33 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.977 -0.277 18531 8461 1 33 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.879 0.221 18531 8462 1 33 . 1 1 24 24 GLU H H 24 8.410 8.410 8.880 -0.470 18531 8463 1 33 . 1 1 25 25 THR N N 25 117.400 117.400 114.487 2.913 18531 8464 1 33 . 1 1 25 25 THR HA H 25 3.670 3.670 3.954 -0.284 18531 8465 1 33 . 1 1 25 25 THR CA C 25 66.800 66.800 65.508 1.292 18531 8466 1 33 . 1 1 25 25 THR CB C 25 68.000 68.000 68.413 -0.413 18531 8467 1 33 . 1 1 25 25 THR H H 25 8.380 8.380 8.107 0.273 18531 8468 1 33 . 1 1 26 26 ALA N N 26 125.100 125.100 123.314 1.786 18531 8469 1 33 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.873 -0.683 18531 8470 1 33 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.775 0.225 18531 8471 1 33 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.617 -0.317 18531 8472 1 33 . 1 1 26 26 ALA H H 26 7.220 7.220 7.778 -0.558 18531 8473 1 33 . 1 1 27 27 GLU N N 27 117.400 117.400 118.724 -1.324 18531 8474 1 33 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.498 -0.908 18531 8475 1 33 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.283 0.417 18531 8476 1 33 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.160 0.040 18531 8477 1 33 . 1 1 27 27 GLU H H 27 8.370 8.370 7.934 0.436 18531 8478 1 33 . 1 1 28 28 LYS N N 28 116.300 116.300 118.542 -2.242 18531 8479 1 33 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.016 -0.346 18531 8480 1 33 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.807 0.793 18531 8481 1 33 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.474 -0.274 18531 8482 1 33 . 1 1 28 28 LYS H H 28 7.170 7.170 7.330 -0.160 18531 8483 1 33 . 1 1 29 29 ALA N N 29 122.000 122.000 121.886 0.114 18531 8484 1 33 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.070 0.020 18531 8485 1 33 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.721 -0.021 18531 8486 1 33 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.501 -1.001 18531 8487 1 33 . 1 1 29 29 ALA H H 29 7.200 7.200 7.305 -0.105 18531 8488 1 33 . 1 1 30 30 PHE N N 30 119.600 119.600 117.013 2.587 18531 8489 1 33 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.123 0.657 18531 8490 1 33 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.965 -3.365 18531 8491 1 33 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.165 -0.765 18531 8492 1 33 . 1 1 30 30 PHE H H 30 8.610 8.610 8.664 -0.054 18531 8493 1 33 . 1 1 31 31 LYS N N 31 122.800 122.800 117.585 5.215 18531 8494 1 33 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.697 0.393 18531 8495 1 33 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.987 0.713 18531 8496 1 33 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.761 -0.161 18531 8497 1 33 . 1 1 31 31 LYS H H 31 9.030 9.030 7.809 1.221 18531 8498 1 33 . 1 1 32 32 GLN N N 32 119.600 119.600 118.277 1.323 18531 8499 1 33 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.115 -0.085 18531 8500 1 33 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.435 0.265 18531 8501 1 33 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.842 -0.742 18531 8502 1 33 . 1 1 32 32 GLN H H 32 7.510 7.510 7.512 -0.002 18531 8503 1 33 . 1 1 33 33 TYR N N 33 120.400 120.400 121.342 -0.942 18531 8504 1 33 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.245 0.005 18531 8505 1 33 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.996 0.804 18531 8506 1 33 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.621 0.079 18531 8507 1 33 . 1 1 33 33 TYR H H 33 8.080 8.080 7.698 0.382 18531 8508 1 33 . 1 1 34 34 ALA N N 34 122.300 122.300 121.105 1.195 18531 8509 1 33 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.950 -0.170 18531 8510 1 33 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.590 0.510 18531 8511 1 33 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.515 -0.815 18531 8512 1 33 . 1 1 34 34 ALA H H 34 9.210 9.210 7.990 1.220 18531 8513 1 33 . 1 1 35 35 ASN N N 35 117.700 117.700 116.566 1.134 18531 8514 1 33 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.477 -0.017 18531 8515 1 33 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.814 1.186 18531 8516 1 33 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.250 0.750 18531 8517 1 33 . 1 1 35 35 ASN H H 35 8.390 8.390 8.000 0.390 18531 8518 1 33 . 1 1 36 36 ASP N N 36 121.100 121.100 119.851 1.249 18531 8519 1 33 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.556 -0.196 18531 8520 1 33 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.222 0.478 18531 8521 1 33 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.837 -0.837 18531 8522 1 33 . 1 1 36 36 ASP H H 36 8.830 8.830 7.816 1.014 18531 8523 1 33 . 1 1 37 37 ASN N N 37 115.200 115.200 116.218 -1.018 18531 8524 1 33 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.763 -0.153 18531 8525 1 33 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.673 1.027 18531 8526 1 33 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.845 1.155 18531 8527 1 33 . 1 1 37 37 ASN H H 37 7.390 7.390 7.596 -0.206 18531 8528 1 33 . 1 1 38 38 GLY N N 38 108.200 108.200 108.350 -0.150 18531 8529 1 33 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.196 0.204 18531 8530 1 33 . 1 1 38 38 GLY H H 38 7.800 7.800 7.600 0.200 18531 8531 1 33 . 1 1 39 39 VAL N N 39 120.800 120.800 119.953 0.847 18531 8532 1 33 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.459 -0.319 18531 8533 1 33 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.501 0.199 18531 8534 1 33 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.187 0.113 18531 8535 1 33 . 1 1 39 39 VAL H H 39 8.120 8.120 7.984 0.136 18531 8536 1 33 . 1 1 40 40 ASP N N 40 128.000 128.000 126.861 1.139 18531 8537 1 33 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.009 -0.119 18531 8538 1 33 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.080 -0.280 18531 8539 1 33 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.759 -1.659 18531 8540 1 33 . 1 1 40 40 ASP H H 40 8.770 8.770 8.680 0.090 18531 8541 1 33 . 1 1 41 41 GLY N N 41 107.100 107.100 110.154 -3.054 18531 8542 1 33 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.124 0.276 18531 8543 1 33 . 1 1 41 41 GLY H H 41 7.910 7.910 8.499 -0.589 18531 8544 1 33 . 1 1 42 42 VAL N N 42 120.300 120.300 124.179 -3.879 18531 8545 1 33 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.362 0.018 18531 8546 1 33 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.008 0.092 18531 8547 1 33 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.840 0.560 18531 8548 1 33 . 1 1 42 42 VAL H H 42 8.250 8.250 8.339 -0.089 18531 8549 1 33 . 1 1 43 43 TRP N N 43 130.700 130.700 127.939 2.761 18531 8550 1 33 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.353 0.007 18531 8551 1 33 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.002 1.598 18531 8552 1 33 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.718 -1.518 18531 8553 1 33 . 1 1 43 43 TRP H H 43 9.360 9.360 8.744 0.616 18531 8554 1 33 . 1 1 44 44 THR N N 44 114.500 114.500 115.709 -1.209 18531 8555 1 33 . 1 1 44 44 THR HA H 44 4.830 4.830 4.741 0.089 18531 8556 1 33 . 1 1 44 44 THR CA C 44 60.300 60.300 60.066 0.234 18531 8557 1 33 . 1 1 44 44 THR CB C 44 72.100 72.100 71.017 1.083 18531 8558 1 33 . 1 1 44 44 THR H H 44 9.400 9.400 8.791 0.609 18531 8559 1 33 . 1 1 45 45 TYR N N 45 120.100 120.100 118.358 1.742 18531 8560 1 33 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.001 -0.031 18531 8561 1 33 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.294 0.706 18531 8562 1 33 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.147 0.453 18531 8563 1 33 . 1 1 45 45 TYR H H 45 8.580 8.580 8.083 0.497 18531 8564 1 33 . 1 1 46 46 ASP N N 46 128.300 128.300 125.463 2.837 18531 8565 1 33 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531 8566 1 33 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.653 0.247 18531 8567 1 33 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.524 1.576 18531 8568 1 33 . 1 1 46 46 ASP H H 46 7.580 7.580 8.619 -1.039 18531 8569 1 33 . 1 1 47 47 ASP N N 47 124.800 124.800 125.917 -1.117 18531 8570 1 33 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.551 -0.441 18531 8571 1 33 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.934 -0.434 18531 8572 1 33 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.683 1.417 18531 8573 1 33 . 1 1 47 47 ASP H H 47 8.590 8.590 8.100 0.490 18531 8574 1 33 . 1 1 48 48 ALA N N 48 119.700 119.700 123.761 -4.061 18531 8575 1 33 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.138 -0.049 18531 8576 1 33 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.945 0.055 18531 8577 1 33 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.530 -0.230 18531 8578 1 33 . 1 1 48 48 ALA H H 48 8.340 8.340 8.261 0.079 18531 8579 1 33 . 1 1 49 49 THR N N 49 103.200 103.200 111.199 -7.999 18531 8580 1 33 . 1 1 49 49 THR HA H 49 4.390 4.390 4.423 -0.033 18531 8581 1 33 . 1 1 49 49 THR CA C 49 60.200 60.200 60.253 -0.053 18531 8582 1 33 . 1 1 49 49 THR CB C 49 70.000 70.000 68.305 1.696 18531 8583 1 33 . 1 1 49 49 THR H H 49 7.000 7.000 7.885 -0.885 18531 8584 1 33 . 1 1 50 50 LYS N N 50 123.100 123.100 121.796 1.304 18531 8585 1 33 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.171 0.019 18531 8586 1 33 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.821 -1.221 18531 8587 1 33 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.636 -2.036 18531 8588 1 33 . 1 1 50 50 LYS H H 50 7.860 7.860 7.619 0.241 18531 8589 1 33 . 1 1 51 51 THR N N 51 111.200 111.200 115.658 -4.458 18531 8590 1 33 . 1 1 51 51 THR HA H 51 5.490 5.490 4.873 0.617 18531 8591 1 33 . 1 1 51 51 THR CA C 51 62.300 62.300 61.937 0.363 18531 8592 1 33 . 1 1 51 51 THR CB C 51 72.100 72.100 71.882 0.217 18531 8593 1 33 . 1 1 51 51 THR H H 51 7.390 7.390 7.837 -0.447 18531 8594 1 33 . 1 1 52 52 PHE N N 52 131.000 131.000 126.250 4.750 18531 8595 1 33 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.325 0.305 18531 8596 1 33 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.790 0.510 18531 8597 1 33 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.344 -0.744 18531 8598 1 33 . 1 1 52 52 PHE H H 52 10.390 10.390 9.615 0.775 18531 8599 1 33 . 1 1 53 53 THR N N 53 117.400 117.400 120.496 -3.096 18531 8600 1 33 . 1 1 53 53 THR HA H 53 5.270 5.270 4.673 0.597 18531 8601 1 33 . 1 1 53 53 THR CA C 53 61.200 61.200 61.425 -0.225 18531 8602 1 33 . 1 1 53 53 THR CB C 53 71.000 71.000 70.048 0.952 18531 8603 1 33 . 1 1 53 53 THR H H 53 9.180 9.180 9.106 0.074 18531 8604 1 33 . 1 1 54 54 VAL N N 54 123.000 123.000 127.475 -4.475 18531 8605 1 33 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.345 0.115 18531 8606 1 33 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.798 -0.698 18531 8607 1 33 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.718 -0.418 18531 8608 1 33 . 1 1 54 54 VAL H H 54 8.280 8.280 8.112 0.168 18531 8609 1 33 . 1 1 55 55 THR N N 55 123.900 123.900 124.481 -0.581 18531 8610 1 33 . 1 1 55 55 THR HA H 55 4.700 4.700 4.570 0.130 18531 8611 1 33 . 1 1 55 55 THR CA C 55 61.200 61.200 61.194 0.006 18531 8612 1 33 . 1 1 55 55 THR CB C 55 70.700 70.700 70.410 0.289 18531 8613 1 33 . 1 1 55 55 THR H H 55 8.320 8.320 8.664 -0.344 18531 8614 1 34 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.098 0.952 18531 8615 1 34 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.737 -1.137 18531 8616 1 34 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.169 2.531 18531 8617 1 34 . 1 1 2 2 GLN H H 2 8.410 8.410 8.274 0.136 18531 8618 1 34 . 1 1 3 3 TYR N N 3 124.000 124.000 124.482 -0.482 18531 8619 1 34 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.386 -0.026 18531 8620 1 34 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.801 0.299 18531 8621 1 34 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.208 1.392 18531 8622 1 34 . 1 1 3 3 TYR H H 3 9.070 9.070 8.634 0.436 18531 8623 1 34 . 1 1 4 4 LYS N N 4 122.500 122.500 118.767 3.733 18531 8624 1 34 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.573 -0.353 18531 8625 1 34 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.753 0.247 18531 8626 1 34 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.418 -1.418 18531 8627 1 34 . 1 1 4 4 LYS H H 4 9.100 9.100 8.684 0.416 18531 8628 1 34 . 1 1 5 5 LEU N N 5 126.400 126.400 122.920 3.480 18531 8629 1 34 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.766 0.204 18531 8630 1 34 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.755 -0.955 18531 8631 1 34 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.232 -3.632 18531 8632 1 34 . 1 1 5 5 LEU H H 5 8.620 8.620 8.670 -0.050 18531 8633 1 34 . 1 1 6 6 VAL N N 6 127.000 127.000 126.272 0.728 18531 8634 1 34 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.367 -0.207 18531 8635 1 34 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.867 1.433 18531 8636 1 34 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.717 -0.017 18531 8637 1 34 . 1 1 6 6 VAL H H 6 9.190 9.190 7.947 1.243 18531 8638 1 34 . 1 1 7 7 ILE N N 7 125.400 125.400 128.836 -3.436 18531 8639 1 34 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.530 -0.440 18531 8640 1 34 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.592 0.108 18531 8641 1 34 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.065 -0.065 18531 8642 1 34 . 1 1 7 7 ILE H H 7 8.800 8.800 8.608 0.192 18531 8643 1 34 . 1 1 8 8 ASN N N 8 128.900 128.900 125.670 3.230 18531 8644 1 34 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.983 0.297 18531 8645 1 34 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.401 -1.601 18531 8646 1 34 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.262 -1.162 18531 8647 1 34 . 1 1 8 8 ASN H H 8 8.990 8.990 8.246 0.744 18531 8648 1 34 . 1 1 9 9 GLY N N 9 110.200 110.200 108.180 2.020 18531 8649 1 34 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.347 0.353 18531 8650 1 34 . 1 1 9 9 GLY H H 9 7.920 7.920 8.469 -0.549 18531 8651 1 34 . 1 1 10 10 LYS N N 10 120.700 120.700 120.830 -0.130 18531 8652 1 34 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.140 -0.080 18531 8653 1 34 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.465 0.735 18531 8654 1 34 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.493 0.407 18531 8655 1 34 . 1 1 10 10 LYS H H 10 9.520 9.520 8.841 0.679 18531 8656 1 34 . 1 1 11 11 THR N N 11 108.900 108.900 109.742 -0.842 18531 8657 1 34 . 1 1 11 11 THR HA H 11 4.360 4.360 4.392 -0.032 18531 8658 1 34 . 1 1 11 11 THR CA C 11 62.000 62.000 62.032 -0.032 18531 8659 1 34 . 1 1 11 11 THR CB C 11 69.800 69.800 70.311 -0.511 18531 8660 1 34 . 1 1 11 11 THR H H 11 8.790 8.790 7.794 0.996 18531 8661 1 34 . 1 1 12 12 LEU N N 12 125.700 125.700 123.646 2.054 18531 8662 1 34 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.552 -0.112 18531 8663 1 34 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.703 0.297 18531 8664 1 34 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.785 -0.485 18531 8665 1 34 . 1 1 12 12 LEU H H 12 7.580 7.580 8.222 -0.642 18531 8666 1 34 . 1 1 13 13 LYS N N 13 123.500 123.500 123.758 -0.258 18531 8667 1 34 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.977 0.143 18531 8668 1 34 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.804 -1.904 18531 8669 1 34 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.999 0.801 18531 8670 1 34 . 1 1 13 13 LYS H H 13 8.140 8.140 8.548 -0.408 18531 8671 1 34 . 1 1 14 14 GLY N N 14 109.100 109.100 111.275 -2.175 18531 8672 1 34 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.739 0.461 18531 8673 1 34 . 1 1 14 14 GLY H H 14 8.340 8.340 7.932 0.408 18531 8674 1 34 . 1 1 15 15 GLU N N 15 118.200 118.200 118.156 0.044 18531 8675 1 34 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.578 0.022 18531 8676 1 34 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.807 -0.307 18531 8677 1 34 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.897 -0.097 18531 8678 1 34 . 1 1 15 15 GLU H H 15 8.390 8.390 8.413 -0.023 18531 8679 1 34 . 1 1 16 16 THR N N 16 115.600 115.600 113.619 1.981 18531 8680 1 34 . 1 1 16 16 THR HA H 16 4.730 4.730 4.616 0.114 18531 8681 1 34 . 1 1 16 16 THR CA C 16 60.600 60.600 60.849 -0.249 18531 8682 1 34 . 1 1 16 16 THR CB C 16 69.500 69.500 70.596 -1.096 18531 8683 1 34 . 1 1 16 16 THR H H 16 8.820 8.820 8.333 0.487 18531 8684 1 34 . 1 1 17 17 THR N N 17 111.800 111.800 114.679 -2.879 18531 8685 1 34 . 1 1 17 17 THR HA H 17 5.790 5.790 5.550 0.240 18531 8686 1 34 . 1 1 17 17 THR CA C 17 59.800 59.800 60.031 -0.231 18531 8687 1 34 . 1 1 17 17 THR CB C 17 73.100 73.100 71.958 1.142 18531 8688 1 34 . 1 1 17 17 THR H H 17 8.140 8.140 8.234 -0.094 18531 8689 1 34 . 1 1 18 18 THR N N 18 115.100 115.100 114.983 0.117 18531 8690 1 34 . 1 1 18 18 THR HA H 18 4.640 4.640 4.517 0.123 18531 8691 1 34 . 1 1 18 18 THR CA C 18 61.900 61.900 61.256 0.644 18531 8692 1 34 . 1 1 18 18 THR CB C 18 70.000 70.000 70.000 -0.000 18531 8693 1 34 . 1 1 18 18 THR H H 18 8.930 8.930 8.364 0.566 18531 8694 1 34 . 1 1 19 19 LYS N N 19 124.300 124.300 125.643 -1.343 18531 8695 1 34 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.715 0.615 18531 8696 1 34 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.466 -0.466 18531 8697 1 34 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.972 -0.172 18531 8698 1 34 . 1 1 19 19 LYS H H 19 7.950 7.950 8.357 -0.407 18531 8699 1 34 . 1 1 20 20 ALA N N 20 124.600 124.600 126.129 -1.529 18531 8700 1 34 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.587 0.193 18531 8701 1 34 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.248 -0.348 18531 8702 1 34 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.896 1.904 18531 8703 1 34 . 1 1 20 20 ALA H H 20 9.110 9.110 8.283 0.827 18531 8704 1 34 . 1 1 21 21 VAL N N 21 115.300 115.300 118.895 -3.595 18531 8705 1 34 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.863 0.247 18531 8706 1 34 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.192 -1.892 18531 8707 1 34 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.634 0.566 18531 8708 1 34 . 1 1 21 21 VAL H H 21 8.480 8.480 8.510 -0.030 18531 8709 1 34 . 1 1 22 22 ASP N N 22 115.200 115.200 112.948 2.252 18531 8710 1 34 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.927 -0.217 18531 8711 1 34 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.693 -0.293 18531 8712 1 34 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.023 0.177 18531 8713 1 34 . 1 1 22 22 ASP H H 22 7.310 7.310 7.645 -0.335 18531 8714 1 34 . 1 1 23 23 ALA N N 23 121.000 121.000 122.387 -1.387 18531 8715 1 34 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.686 -0.346 18531 8716 1 34 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.529 -0.629 18531 8717 1 34 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.587 -1.087 18531 8718 1 34 . 1 1 23 23 ALA H H 23 8.370 8.370 8.801 -0.431 18531 8719 1 34 . 1 1 24 24 GLU N N 24 118.900 118.900 119.243 -0.343 18531 8720 1 34 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.919 -0.059 18531 8721 1 34 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.077 0.623 18531 8722 1 34 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.850 0.250 18531 8723 1 34 . 1 1 24 24 GLU H H 24 8.410 8.410 8.666 -0.256 18531 8724 1 34 . 1 1 25 25 THR N N 25 117.400 117.400 115.889 1.511 18531 8725 1 34 . 1 1 25 25 THR HA H 25 3.670 3.670 4.028 -0.358 18531 8726 1 34 . 1 1 25 25 THR CA C 25 66.800 66.800 66.145 0.655 18531 8727 1 34 . 1 1 25 25 THR CB C 25 68.000 68.000 68.639 -0.639 18531 8728 1 34 . 1 1 25 25 THR H H 25 8.380 8.380 8.184 0.196 18531 8729 1 34 . 1 1 26 26 ALA N N 26 125.100 125.100 124.067 1.033 18531 8730 1 34 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.777 -0.587 18531 8731 1 34 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.792 0.208 18531 8732 1 34 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.682 -0.382 18531 8733 1 34 . 1 1 26 26 ALA H H 26 7.220 7.220 7.700 -0.480 18531 8734 1 34 . 1 1 27 27 GLU N N 27 117.400 117.400 117.133 0.267 18531 8735 1 34 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.659 -1.069 18531 8736 1 34 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.226 0.474 18531 8737 1 34 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.391 -0.191 18531 8738 1 34 . 1 1 27 27 GLU H H 27 8.370 8.370 8.468 -0.098 18531 8739 1 34 . 1 1 28 28 LYS N N 28 116.300 116.300 119.378 -3.078 18531 8740 1 34 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531 8741 1 34 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.834 0.766 18531 8742 1 34 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.434 -0.234 18531 8743 1 34 . 1 1 28 28 LYS H H 28 7.170 7.170 7.456 -0.286 18531 8744 1 34 . 1 1 29 29 ALA N N 29 122.000 122.000 122.862 -0.862 18531 8745 1 34 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.080 0.010 18531 8746 1 34 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.746 -0.046 18531 8747 1 34 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.341 -0.841 18531 8748 1 34 . 1 1 29 29 ALA H H 29 7.200 7.200 7.324 -0.124 18531 8749 1 34 . 1 1 30 30 PHE N N 30 119.600 119.600 117.890 1.710 18531 8750 1 34 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.103 0.677 18531 8751 1 34 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.051 -4.451 18531 8752 1 34 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.349 -0.949 18531 8753 1 34 . 1 1 30 30 PHE H H 30 8.610 8.610 8.577 0.033 18531 8754 1 34 . 1 1 31 31 LYS N N 31 122.800 122.800 117.188 5.612 18531 8755 1 34 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.769 0.321 18531 8756 1 34 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.289 0.411 18531 8757 1 34 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.477 0.123 18531 8758 1 34 . 1 1 31 31 LYS H H 31 9.030 9.030 7.544 1.486 18531 8759 1 34 . 1 1 32 32 GLN N N 32 119.600 119.600 119.496 0.104 18531 8760 1 34 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.055 -0.025 18531 8761 1 34 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.408 -0.708 18531 8762 1 34 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.352 -0.252 18531 8763 1 34 . 1 1 32 32 GLN H H 32 7.510 7.510 7.717 -0.207 18531 8764 1 34 . 1 1 33 33 TYR N N 33 120.400 120.400 120.563 -0.163 18531 8765 1 34 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.088 0.162 18531 8766 1 34 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.217 0.583 18531 8767 1 34 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.449 0.251 18531 8768 1 34 . 1 1 33 33 TYR H H 33 8.080 8.080 7.787 0.293 18531 8769 1 34 . 1 1 34 34 ALA N N 34 122.300 122.300 121.141 1.159 18531 8770 1 34 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.096 -0.316 18531 8771 1 34 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.491 1.609 18531 8772 1 34 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.965 -1.264 18531 8773 1 34 . 1 1 34 34 ALA H H 34 9.210 9.210 7.940 1.270 18531 8774 1 34 . 1 1 35 35 ASN N N 35 117.700 117.700 118.920 -1.220 18531 8775 1 34 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.432 0.028 18531 8776 1 34 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.112 0.888 18531 8777 1 34 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.926 1.074 18531 8778 1 34 . 1 1 35 35 ASN H H 35 8.390 8.390 8.591 -0.201 18531 8779 1 34 . 1 1 36 36 ASP N N 36 121.100 121.100 119.976 1.124 18531 8780 1 34 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.480 -0.120 18531 8781 1 34 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.609 0.090 18531 8782 1 34 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.535 -0.535 18531 8783 1 34 . 1 1 36 36 ASP H H 36 8.830 8.830 8.539 0.291 18531 8784 1 34 . 1 1 37 37 ASN N N 37 115.200 115.200 115.490 -0.290 18531 8785 1 34 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.706 -0.096 18531 8786 1 34 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.211 1.489 18531 8787 1 34 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.184 0.816 18531 8788 1 34 . 1 1 37 37 ASN H H 37 7.390 7.390 7.662 -0.272 18531 8789 1 34 . 1 1 38 38 GLY N N 38 108.200 108.200 110.247 -2.047 18531 8790 1 34 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.125 1.275 18531 8791 1 34 . 1 1 38 38 GLY H H 38 7.800 7.800 8.073 -0.273 18531 8792 1 34 . 1 1 39 39 VAL N N 39 120.800 120.800 119.808 0.992 18531 8793 1 34 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.807 0.333 18531 8794 1 34 . 1 1 39 39 VAL CA C 39 61.700 61.700 63.012 -1.312 18531 8795 1 34 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531 8796 1 34 . 1 1 39 39 VAL H H 39 8.120 8.120 8.281 -0.161 18531 8797 1 34 . 1 1 40 40 ASP N N 40 128.000 128.000 125.033 2.967 18531 8798 1 34 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.871 0.019 18531 8799 1 34 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.731 -0.931 18531 8800 1 34 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.636 -0.536 18531 8801 1 34 . 1 1 40 40 ASP H H 40 8.770 8.770 8.217 0.553 18531 8802 1 34 . 1 1 41 41 GLY N N 41 107.100 107.100 108.901 -1.801 18531 8803 1 34 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.560 -0.160 18531 8804 1 34 . 1 1 41 41 GLY H H 41 7.910 7.910 8.318 -0.408 18531 8805 1 34 . 1 1 42 42 VAL N N 42 120.300 120.300 122.882 -2.582 18531 8806 1 34 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531 8807 1 34 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.798 0.302 18531 8808 1 34 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.895 0.505 18531 8809 1 34 . 1 1 42 42 VAL H H 42 8.250 8.250 8.053 0.197 18531 8810 1 34 . 1 1 43 43 TRP N N 43 130.700 130.700 127.718 2.982 18531 8811 1 34 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.716 -0.356 18531 8812 1 34 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.030 1.570 18531 8813 1 34 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.518 -2.318 18531 8814 1 34 . 1 1 43 43 TRP H H 43 9.360 9.360 8.638 0.722 18531 8815 1 34 . 1 1 44 44 THR N N 44 114.500 114.500 118.166 -3.666 18531 8816 1 34 . 1 1 44 44 THR HA H 44 4.830 4.830 4.724 0.106 18531 8817 1 34 . 1 1 44 44 THR CA C 44 60.300 60.300 61.398 -1.098 18531 8818 1 34 . 1 1 44 44 THR CB C 44 72.100 72.100 70.734 1.366 18531 8819 1 34 . 1 1 44 44 THR H H 44 9.400 9.400 8.927 0.473 18531 8820 1 34 . 1 1 45 45 TYR N N 45 120.100 120.100 128.200 -8.100 18531 8821 1 34 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.522 0.448 18531 8822 1 34 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.082 0.918 18531 8823 1 34 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.358 1.242 18531 8824 1 34 . 1 1 45 45 TYR H H 45 8.580 8.580 8.802 -0.222 18531 8825 1 34 . 1 1 46 46 ASP N N 46 128.300 128.300 128.372 -0.072 18531 8826 1 34 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.466 0.114 18531 8827 1 34 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.436 -0.536 18531 8828 1 34 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.216 0.884 18531 8829 1 34 . 1 1 46 46 ASP H H 46 7.580 7.580 7.861 -0.281 18531 8830 1 34 . 1 1 47 47 ASP N N 47 124.800 124.800 125.570 -0.770 18531 8831 1 34 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.261 -0.151 18531 8832 1 34 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.870 -0.370 18531 8833 1 34 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.346 1.754 18531 8834 1 34 . 1 1 47 47 ASP H H 47 8.590 8.590 8.117 0.473 18531 8835 1 34 . 1 1 48 48 ALA N N 48 119.700 119.700 122.559 -2.859 18531 8836 1 34 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.058 0.032 18531 8837 1 34 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.352 0.647 18531 8838 1 34 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.745 -0.445 18531 8839 1 34 . 1 1 48 48 ALA H H 48 8.340 8.340 8.228 0.112 18531 8840 1 34 . 1 1 49 49 THR N N 49 103.200 103.200 106.772 -3.572 18531 8841 1 34 . 1 1 49 49 THR HA H 49 4.390 4.390 4.441 -0.051 18531 8842 1 34 . 1 1 49 49 THR CA C 49 60.200 60.200 60.499 -0.299 18531 8843 1 34 . 1 1 49 49 THR CB C 49 70.000 70.000 69.437 0.563 18531 8844 1 34 . 1 1 49 49 THR H H 49 7.000 7.000 7.709 -0.709 18531 8845 1 34 . 1 1 50 50 LYS N N 50 123.100 123.100 119.021 4.079 18531 8846 1 34 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.085 0.105 18531 8847 1 34 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.569 -0.969 18531 8848 1 34 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.687 -1.087 18531 8849 1 34 . 1 1 50 50 LYS H H 50 7.860 7.860 7.957 -0.097 18531 8850 1 34 . 1 1 51 51 THR N N 51 111.200 111.200 113.416 -2.216 18531 8851 1 34 . 1 1 51 51 THR HA H 51 5.490 5.490 4.931 0.559 18531 8852 1 34 . 1 1 51 51 THR CA C 51 62.300 62.300 61.445 0.855 18531 8853 1 34 . 1 1 51 51 THR CB C 51 72.100 72.100 71.426 0.674 18531 8854 1 34 . 1 1 51 51 THR H H 51 7.390 7.390 7.433 -0.043 18531 8855 1 34 . 1 1 52 52 PHE N N 52 131.000 131.000 126.845 4.155 18531 8856 1 34 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.843 -0.213 18531 8857 1 34 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.660 1.640 18531 8858 1 34 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.717 -0.117 18531 8859 1 34 . 1 1 52 52 PHE H H 52 10.390 10.390 8.710 1.680 18531 8860 1 34 . 1 1 53 53 THR N N 53 117.400 117.400 116.498 0.902 18531 8861 1 34 . 1 1 53 53 THR HA H 53 5.270 5.270 4.458 0.812 18531 8862 1 34 . 1 1 53 53 THR CA C 53 61.200 61.200 61.924 -0.724 18531 8863 1 34 . 1 1 53 53 THR CB C 53 71.000 71.000 70.634 0.366 18531 8864 1 34 . 1 1 53 53 THR H H 53 9.180 9.180 8.845 0.335 18531 8865 1 34 . 1 1 54 54 VAL N N 54 123.000 123.000 128.302 -5.302 18531 8866 1 34 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.844 0.616 18531 8867 1 34 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.001 -0.901 18531 8868 1 34 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.654 -1.353 18531 8869 1 34 . 1 1 54 54 VAL H H 54 8.280 8.280 8.172 0.108 18531 8870 1 34 . 1 1 55 55 THR N N 55 123.900 123.900 124.166 -0.266 18531 8871 1 34 . 1 1 55 55 THR HA H 55 4.700 4.700 4.613 0.087 18531 8872 1 34 . 1 1 55 55 THR CA C 55 61.200 61.200 60.102 1.097 18531 8873 1 34 . 1 1 55 55 THR CB C 55 70.700 70.700 70.656 0.043 18531 8874 1 34 . 1 1 55 55 THR H H 55 8.320 8.320 8.099 0.221 18531 8875 1 35 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.398 0.652 18531 8876 1 35 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.873 -0.273 18531 8877 1 35 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.974 -1.274 18531 8878 1 35 . 1 1 2 2 GLN H H 2 8.410 8.410 7.853 0.557 18531 8879 1 35 . 1 1 3 3 TYR N N 3 124.000 124.000 122.689 1.311 18531 8880 1 35 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.339 0.021 18531 8881 1 35 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.572 0.528 18531 8882 1 35 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.994 1.606 18531 8883 1 35 . 1 1 3 3 TYR H H 3 9.070 9.070 8.874 0.196 18531 8884 1 35 . 1 1 4 4 LYS N N 4 122.500 122.500 122.394 0.106 18531 8885 1 35 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.934 0.286 18531 8886 1 35 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.824 0.176 18531 8887 1 35 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.773 0.227 18531 8888 1 35 . 1 1 4 4 LYS H H 4 9.100 9.100 8.869 0.231 18531 8889 1 35 . 1 1 5 5 LEU N N 5 126.400 126.400 126.712 -0.312 18531 8890 1 35 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.102 -0.132 18531 8891 1 35 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.514 -0.714 18531 8892 1 35 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.555 -3.955 18531 8893 1 35 . 1 1 5 5 LEU H H 5 8.620 8.620 8.343 0.277 18531 8894 1 35 . 1 1 6 6 VAL N N 6 127.000 127.000 125.093 1.907 18531 8895 1 35 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.336 -0.176 18531 8896 1 35 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.669 0.631 18531 8897 1 35 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.890 -1.190 18531 8898 1 35 . 1 1 6 6 VAL H H 6 9.190 9.190 7.992 1.198 18531 8899 1 35 . 1 1 7 7 ILE N N 7 125.400 125.400 128.690 -3.290 18531 8900 1 35 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.189 -0.099 18531 8901 1 35 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.852 -0.152 18531 8902 1 35 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.431 0.569 18531 8903 1 35 . 1 1 7 7 ILE H H 7 8.800 8.800 8.661 0.139 18531 8904 1 35 . 1 1 8 8 ASN N N 8 128.900 128.900 127.472 1.428 18531 8905 1 35 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.001 0.279 18531 8906 1 35 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.295 -1.495 18531 8907 1 35 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.874 -0.774 18531 8908 1 35 . 1 1 8 8 ASN H H 8 8.990 8.990 8.000 0.990 18531 8909 1 35 . 1 1 9 9 GLY N N 9 110.200 110.200 107.172 3.028 18531 8910 1 35 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.394 0.306 18531 8911 1 35 . 1 1 9 9 GLY H H 9 7.920 7.920 8.283 -0.363 18531 8912 1 35 . 1 1 10 10 LYS N N 10 120.700 120.700 123.396 -2.696 18531 8913 1 35 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.031 0.029 18531 8914 1 35 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.939 0.261 18531 8915 1 35 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.562 0.338 18531 8916 1 35 . 1 1 10 10 LYS H H 10 9.520 9.520 8.688 0.832 18531 8917 1 35 . 1 1 11 11 THR N N 11 108.900 108.900 106.595 2.305 18531 8918 1 35 . 1 1 11 11 THR HA H 11 4.360 4.360 4.338 0.022 18531 8919 1 35 . 1 1 11 11 THR CA C 11 62.000 62.000 61.706 0.294 18531 8920 1 35 . 1 1 11 11 THR CB C 11 69.800 69.800 69.897 -0.097 18531 8921 1 35 . 1 1 11 11 THR H H 11 8.790 8.790 7.916 0.874 18531 8922 1 35 . 1 1 12 12 LEU N N 12 125.700 125.700 123.649 2.051 18531 8923 1 35 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.546 -0.106 18531 8924 1 35 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.335 0.665 18531 8925 1 35 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.271 0.029 18531 8926 1 35 . 1 1 12 12 LEU H H 12 7.580 7.580 7.812 -0.232 18531 8927 1 35 . 1 1 13 13 LYS N N 13 123.500 123.500 125.716 -2.216 18531 8928 1 35 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.057 0.063 18531 8929 1 35 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.194 -1.294 18531 8930 1 35 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.411 -0.611 18531 8931 1 35 . 1 1 13 13 LYS H H 13 8.140 8.140 8.492 -0.352 18531 8932 1 35 . 1 1 14 14 GLY N N 14 109.100 109.100 111.295 -2.195 18531 8933 1 35 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.872 -0.672 18531 8934 1 35 . 1 1 14 14 GLY H H 14 8.340 8.340 8.864 -0.524 18531 8935 1 35 . 1 1 15 15 GLU N N 15 118.200 118.200 118.935 -0.735 18531 8936 1 35 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.732 0.868 18531 8937 1 35 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.769 -1.269 18531 8938 1 35 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.516 0.284 18531 8939 1 35 . 1 1 15 15 GLU H H 15 8.390 8.390 8.513 -0.123 18531 8940 1 35 . 1 1 16 16 THR N N 16 115.600 115.600 115.556 0.044 18531 8941 1 35 . 1 1 16 16 THR HA H 16 4.730 4.730 4.700 0.030 18531 8942 1 35 . 1 1 16 16 THR CA C 16 60.600 60.600 61.539 -0.939 18531 8943 1 35 . 1 1 16 16 THR CB C 16 69.500 69.500 69.700 -0.200 18531 8944 1 35 . 1 1 16 16 THR H H 16 8.820 8.820 8.336 0.484 18531 8945 1 35 . 1 1 17 17 THR N N 17 111.800 111.800 114.866 -3.066 18531 8946 1 35 . 1 1 17 17 THR HA H 17 5.790 5.790 5.223 0.567 18531 8947 1 35 . 1 1 17 17 THR CA C 17 59.800 59.800 60.502 -0.702 18531 8948 1 35 . 1 1 17 17 THR CB C 17 73.100 73.100 71.971 1.129 18531 8949 1 35 . 1 1 17 17 THR H H 17 8.140 8.140 8.252 -0.112 18531 8950 1 35 . 1 1 18 18 THR N N 18 115.100 115.100 114.705 0.395 18531 8951 1 35 . 1 1 18 18 THR HA H 18 4.640 4.640 4.559 0.081 18531 8952 1 35 . 1 1 18 18 THR CA C 18 61.900 61.900 61.287 0.613 18531 8953 1 35 . 1 1 18 18 THR CB C 18 70.000 70.000 70.231 -0.231 18531 8954 1 35 . 1 1 18 18 THR H H 18 8.930 8.930 8.613 0.317 18531 8955 1 35 . 1 1 19 19 LYS N N 19 124.300 124.300 125.889 -1.589 18531 8956 1 35 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.804 0.526 18531 8957 1 35 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.032 -0.032 18531 8958 1 35 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.490 0.310 18531 8959 1 35 . 1 1 19 19 LYS H H 19 7.950 7.950 8.440 -0.490 18531 8960 1 35 . 1 1 20 20 ALA N N 20 124.600 124.600 128.221 -3.621 18531 8961 1 35 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531 8962 1 35 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.250 -0.350 18531 8963 1 35 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.400 2.400 18531 8964 1 35 . 1 1 20 20 ALA H H 20 9.110 9.110 8.471 0.639 18531 8965 1 35 . 1 1 21 21 VAL N N 21 115.300 115.300 118.871 -3.571 18531 8966 1 35 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.911 0.199 18531 8967 1 35 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.620 -1.320 18531 8968 1 35 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.601 0.599 18531 8969 1 35 . 1 1 21 21 VAL H H 21 8.480 8.480 8.494 -0.014 18531 8970 1 35 . 1 1 22 22 ASP N N 22 115.200 115.200 114.351 0.849 18531 8971 1 35 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.842 -0.132 18531 8972 1 35 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.274 0.126 18531 8973 1 35 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.216 -0.016 18531 8974 1 35 . 1 1 22 22 ASP H H 22 7.310 7.310 7.835 -0.525 18531 8975 1 35 . 1 1 23 23 ALA N N 23 121.000 121.000 122.192 -1.192 18531 8976 1 35 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.709 -0.369 18531 8977 1 35 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.946 -0.046 18531 8978 1 35 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.378 -0.878 18531 8979 1 35 . 1 1 23 23 ALA H H 23 8.370 8.370 8.721 -0.351 18531 8980 1 35 . 1 1 24 24 GLU N N 24 118.900 118.900 119.679 -0.779 18531 8981 1 35 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.896 -0.036 18531 8982 1 35 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.156 0.544 18531 8983 1 35 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.889 0.211 18531 8984 1 35 . 1 1 24 24 GLU H H 24 8.410 8.410 8.652 -0.242 18531 8985 1 35 . 1 1 25 25 THR N N 25 117.400 117.400 116.080 1.320 18531 8986 1 35 . 1 1 25 25 THR HA H 25 3.670 3.670 4.002 -0.332 18531 8987 1 35 . 1 1 25 25 THR CA C 25 66.800 66.800 65.733 1.067 18531 8988 1 35 . 1 1 25 25 THR CB C 25 68.000 68.000 68.779 -0.779 18531 8989 1 35 . 1 1 25 25 THR H H 25 8.380 8.380 7.689 0.691 18531 8990 1 35 . 1 1 26 26 ALA N N 26 125.100 125.100 123.970 1.130 18531 8991 1 35 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.774 -0.584 18531 8992 1 35 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.604 0.396 18531 8993 1 35 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.701 -0.401 18531 8994 1 35 . 1 1 26 26 ALA H H 26 7.220 7.220 7.442 -0.222 18531 8995 1 35 . 1 1 27 27 GLU N N 27 117.400 117.400 117.550 -0.150 18531 8996 1 35 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.781 -1.191 18531 8997 1 35 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.497 0.203 18531 8998 1 35 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.479 -0.279 18531 8999 1 35 . 1 1 27 27 GLU H H 27 8.370 8.370 8.191 0.179 18531 9000 1 35 . 1 1 28 28 LYS N N 28 116.300 116.300 119.481 -3.181 18531 9001 1 35 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.021 -0.351 18531 9002 1 35 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.695 0.905 18531 9003 1 35 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.334 -0.134 18531 9004 1 35 . 1 1 28 28 LYS H H 28 7.170 7.170 7.363 -0.193 18531 9005 1 35 . 1 1 29 29 ALA N N 29 122.000 122.000 122.413 -0.413 18531 9006 1 35 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.097 -0.007 18531 9007 1 35 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.743 -0.043 18531 9008 1 35 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.144 -0.644 18531 9009 1 35 . 1 1 29 29 ALA H H 29 7.200 7.200 7.311 -0.111 18531 9010 1 35 . 1 1 30 30 PHE N N 30 119.600 119.600 117.977 1.623 18531 9011 1 35 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.085 0.695 18531 9012 1 35 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.006 -4.406 18531 9013 1 35 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.255 -0.855 18531 9014 1 35 . 1 1 30 30 PHE H H 30 8.610 8.610 8.520 0.090 18531 9015 1 35 . 1 1 31 31 LYS N N 31 122.800 122.800 117.138 5.662 18531 9016 1 35 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.637 0.453 18531 9017 1 35 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.000 0.700 18531 9018 1 35 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.432 0.168 18531 9019 1 35 . 1 1 31 31 LYS H H 31 9.030 9.030 7.495 1.535 18531 9020 1 35 . 1 1 32 32 GLN N N 32 119.600 119.600 119.652 -0.052 18531 9021 1 35 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.046 -0.016 18531 9022 1 35 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.263 -0.563 18531 9023 1 35 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.294 -0.194 18531 9024 1 35 . 1 1 32 32 GLN H H 32 7.510 7.510 7.782 -0.272 18531 9025 1 35 . 1 1 33 33 TYR N N 33 120.400 120.400 120.824 -0.424 18531 9026 1 35 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.149 0.101 18531 9027 1 35 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.170 0.630 18531 9028 1 35 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.286 0.414 18531 9029 1 35 . 1 1 33 33 TYR H H 33 8.080 8.080 7.762 0.318 18531 9030 1 35 . 1 1 34 34 ALA N N 34 122.300 122.300 121.742 0.558 18531 9031 1 35 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.982 -0.202 18531 9032 1 35 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.675 1.425 18531 9033 1 35 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.765 -1.065 18531 9034 1 35 . 1 1 34 34 ALA H H 34 9.210 9.210 8.055 1.155 18531 9035 1 35 . 1 1 35 35 ASN N N 35 117.700 117.700 118.586 -0.886 18531 9036 1 35 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.398 0.062 18531 9037 1 35 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.052 0.948 18531 9038 1 35 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.867 1.133 18531 9039 1 35 . 1 1 35 35 ASN H H 35 8.390 8.390 8.445 -0.055 18531 9040 1 35 . 1 1 36 36 ASP N N 36 121.100 121.100 120.468 0.632 18531 9041 1 35 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.447 -0.087 18531 9042 1 35 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.849 -0.149 18531 9043 1 35 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.417 -0.417 18531 9044 1 35 . 1 1 36 36 ASP H H 36 8.830 8.830 8.633 0.197 18531 9045 1 35 . 1 1 37 37 ASN N N 37 115.200 115.200 115.879 -0.679 18531 9046 1 35 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.697 -0.087 18531 9047 1 35 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.353 1.347 18531 9048 1 35 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.110 0.890 18531 9049 1 35 . 1 1 37 37 ASN H H 37 7.390 7.390 7.674 -0.284 18531 9050 1 35 . 1 1 38 38 GLY N N 38 108.200 108.200 109.811 -1.611 18531 9051 1 35 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.206 1.194 18531 9052 1 35 . 1 1 38 38 GLY H H 38 7.800 7.800 8.191 -0.391 18531 9053 1 35 . 1 1 39 39 VAL N N 39 120.800 120.800 118.907 1.893 18531 9054 1 35 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.757 0.383 18531 9055 1 35 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.975 -1.275 18531 9056 1 35 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.839 1.461 18531 9057 1 35 . 1 1 39 39 VAL H H 39 8.120 8.120 8.147 -0.027 18531 9058 1 35 . 1 1 40 40 ASP N N 40 128.000 128.000 126.010 1.990 18531 9059 1 35 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.935 -0.045 18531 9060 1 35 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.161 -1.361 18531 9061 1 35 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.367 -0.267 18531 9062 1 35 . 1 1 40 40 ASP H H 40 8.770 8.770 8.066 0.705 18531 9063 1 35 . 1 1 41 41 GLY N N 41 107.100 107.100 111.113 -4.013 18531 9064 1 35 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.799 0.601 18531 9065 1 35 . 1 1 41 41 GLY H H 41 7.910 7.910 8.284 -0.374 18531 9066 1 35 . 1 1 42 42 VAL N N 42 120.300 120.300 121.248 -0.948 18531 9067 1 35 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.438 -0.058 18531 9068 1 35 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.757 0.343 18531 9069 1 35 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.211 0.189 18531 9070 1 35 . 1 1 42 42 VAL H H 42 8.250 8.250 8.160 0.090 18531 9071 1 35 . 1 1 43 43 TRP N N 43 130.700 130.700 129.664 1.036 18531 9072 1 35 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.657 -0.297 18531 9073 1 35 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.941 1.659 18531 9074 1 35 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.353 -1.153 18531 9075 1 35 . 1 1 43 43 TRP H H 43 9.360 9.360 8.651 0.709 18531 9076 1 35 . 1 1 44 44 THR N N 44 114.500 114.500 112.069 2.431 18531 9077 1 35 . 1 1 44 44 THR HA H 44 4.830 4.830 4.752 0.078 18531 9078 1 35 . 1 1 44 44 THR CA C 44 60.300 60.300 60.632 -0.332 18531 9079 1 35 . 1 1 44 44 THR CB C 44 72.100 72.100 71.415 0.685 18531 9080 1 35 . 1 1 44 44 THR H H 44 9.400 9.400 8.816 0.584 18531 9081 1 35 . 1 1 45 45 TYR N N 45 120.100 120.100 122.400 -2.300 18531 9082 1 35 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.618 0.352 18531 9083 1 35 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.279 -0.279 18531 9084 1 35 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.776 -0.176 18531 9085 1 35 . 1 1 45 45 TYR H H 45 8.580 8.580 8.497 0.083 18531 9086 1 35 . 1 1 46 46 ASP N N 46 128.300 128.300 127.762 0.538 18531 9087 1 35 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.472 0.108 18531 9088 1 35 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.182 -0.282 18531 9089 1 35 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.713 1.387 18531 9090 1 35 . 1 1 46 46 ASP H H 46 7.580 7.580 7.851 -0.271 18531 9091 1 35 . 1 1 47 47 ASP N N 47 124.800 124.800 123.998 0.802 18531 9092 1 35 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.235 -0.125 18531 9093 1 35 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.529 -0.029 18531 9094 1 35 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.481 1.619 18531 9095 1 35 . 1 1 47 47 ASP H H 47 8.590 8.590 8.044 0.546 18531 9096 1 35 . 1 1 48 48 ALA N N 48 119.700 119.700 122.491 -2.791 18531 9097 1 35 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.044 0.046 18531 9098 1 35 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.603 0.397 18531 9099 1 35 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.706 -0.406 18531 9100 1 35 . 1 1 48 48 ALA H H 48 8.340 8.340 7.917 0.423 18531 9101 1 35 . 1 1 49 49 THR N N 49 103.200 103.200 108.551 -5.351 18531 9102 1 35 . 1 1 49 49 THR HA H 49 4.390 4.390 4.356 0.034 18531 9103 1 35 . 1 1 49 49 THR CA C 49 60.200 60.200 60.304 -0.104 18531 9104 1 35 . 1 1 49 49 THR CB C 49 70.000 70.000 68.668 1.333 18531 9105 1 35 . 1 1 49 49 THR H H 49 7.000 7.000 7.735 -0.735 18531 9106 1 35 . 1 1 50 50 LYS N N 50 123.100 123.100 119.688 3.412 18531 9107 1 35 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.975 0.215 18531 9108 1 35 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.525 -0.925 18531 9109 1 35 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.736 -1.136 18531 9110 1 35 . 1 1 50 50 LYS H H 50 7.860 7.860 7.599 0.261 18531 9111 1 35 . 1 1 51 51 THR N N 51 111.200 111.200 114.831 -3.631 18531 9112 1 35 . 1 1 51 51 THR HA H 51 5.490 5.490 5.166 0.324 18531 9113 1 35 . 1 1 51 51 THR CA C 51 62.300 62.300 61.906 0.394 18531 9114 1 35 . 1 1 51 51 THR CB C 51 72.100 72.100 71.651 0.449 18531 9115 1 35 . 1 1 51 51 THR H H 51 7.390 7.390 7.342 0.048 18531 9116 1 35 . 1 1 52 52 PHE N N 52 131.000 131.000 125.786 5.214 18531 9117 1 35 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.272 0.358 18531 9118 1 35 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.147 1.153 18531 9119 1 35 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.042 0.558 18531 9120 1 35 . 1 1 52 52 PHE H H 52 10.390 10.390 9.455 0.935 18531 9121 1 35 . 1 1 53 53 THR N N 53 117.400 117.400 116.340 1.060 18531 9122 1 35 . 1 1 53 53 THR HA H 53 5.270 5.270 4.491 0.779 18531 9123 1 35 . 1 1 53 53 THR CA C 53 61.200 61.200 61.759 -0.559 18531 9124 1 35 . 1 1 53 53 THR CB C 53 71.000 71.000 70.607 0.393 18531 9125 1 35 . 1 1 53 53 THR H H 53 9.180 9.180 8.434 0.746 18531 9126 1 35 . 1 1 54 54 VAL N N 54 123.000 123.000 126.739 -3.739 18531 9127 1 35 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.696 0.764 18531 9128 1 35 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.916 -0.816 18531 9129 1 35 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.761 -0.461 18531 9130 1 35 . 1 1 54 54 VAL H H 54 8.280 8.280 7.705 0.575 18531 9131 1 35 . 1 1 55 55 THR N N 55 123.900 123.900 122.722 1.178 18531 9132 1 35 . 1 1 55 55 THR HA H 55 4.700 4.700 4.615 0.085 18531 9133 1 35 . 1 1 55 55 THR CA C 55 61.200 61.200 60.271 0.929 18531 9134 1 35 . 1 1 55 55 THR CB C 55 70.700 70.700 70.689 0.011 18531 9135 1 35 . 1 1 55 55 THR H H 55 8.320 8.320 7.663 0.657 18531 9136 1 36 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.624 0.426 18531 9137 1 36 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.512 0.088 18531 9138 1 36 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.616 -0.916 18531 9139 1 36 . 1 1 2 2 GLN H H 2 8.410 8.410 8.066 0.344 18531 9140 1 36 . 1 1 3 3 TYR N N 3 124.000 124.000 123.730 0.270 18531 9141 1 36 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.156 0.204 18531 9142 1 36 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.401 -0.301 18531 9143 1 36 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.828 2.772 18531 9144 1 36 . 1 1 3 3 TYR H H 3 9.070 9.070 8.459 0.611 18531 9145 1 36 . 1 1 4 4 LYS N N 4 122.500 122.500 121.259 1.241 18531 9146 1 36 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.855 0.365 18531 9147 1 36 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.845 0.155 18531 9148 1 36 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.422 0.578 18531 9149 1 36 . 1 1 4 4 LYS H H 4 9.100 9.100 9.219 -0.119 18531 9150 1 36 . 1 1 5 5 LEU N N 5 126.400 126.400 127.089 -0.689 18531 9151 1 36 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.076 -0.106 18531 9152 1 36 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.614 -0.814 18531 9153 1 36 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.448 -3.848 18531 9154 1 36 . 1 1 5 5 LEU H H 5 8.620 8.620 8.087 0.533 18531 9155 1 36 . 1 1 6 6 VAL N N 6 127.000 127.000 125.356 1.644 18531 9156 1 36 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.298 -0.138 18531 9157 1 36 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.572 0.728 18531 9158 1 36 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.149 -1.449 18531 9159 1 36 . 1 1 6 6 VAL H H 6 9.190 9.190 7.898 1.292 18531 9160 1 36 . 1 1 7 7 ILE N N 7 125.400 125.400 128.597 -3.197 18531 9161 1 36 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.335 -0.245 18531 9162 1 36 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.811 -0.111 18531 9163 1 36 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.220 0.780 18531 9164 1 36 . 1 1 7 7 ILE H H 7 8.800 8.800 7.849 0.951 18531 9165 1 36 . 1 1 8 8 ASN N N 8 128.900 128.900 126.627 2.273 18531 9166 1 36 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.008 0.272 18531 9167 1 36 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.383 -1.583 18531 9168 1 36 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.683 -1.583 18531 9169 1 36 . 1 1 8 8 ASN H H 8 8.990 8.990 8.021 0.969 18531 9170 1 36 . 1 1 9 9 GLY N N 9 110.200 110.200 107.429 2.771 18531 9171 1 36 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.016 0.684 18531 9172 1 36 . 1 1 9 9 GLY H H 9 7.920 7.920 8.360 -0.440 18531 9173 1 36 . 1 1 10 10 LYS N N 10 120.700 120.700 120.753 -0.053 18531 9174 1 36 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.128 -0.068 18531 9175 1 36 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.983 0.217 18531 9176 1 36 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.659 0.241 18531 9177 1 36 . 1 1 10 10 LYS H H 10 9.520 9.520 8.244 1.276 18531 9178 1 36 . 1 1 11 11 THR N N 11 108.900 108.900 109.825 -0.925 18531 9179 1 36 . 1 1 11 11 THR HA H 11 4.360 4.360 4.343 0.017 18531 9180 1 36 . 1 1 11 11 THR CA C 11 62.000 62.000 61.834 0.166 18531 9181 1 36 . 1 1 11 11 THR CB C 11 69.800 69.800 69.520 0.280 18531 9182 1 36 . 1 1 11 11 THR H H 11 8.790 8.790 7.574 1.216 18531 9183 1 36 . 1 1 12 12 LEU N N 12 125.700 125.700 122.997 2.703 18531 9184 1 36 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.595 -0.155 18531 9185 1 36 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.541 0.459 18531 9186 1 36 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.124 -1.824 18531 9187 1 36 . 1 1 12 12 LEU H H 12 7.580 7.580 7.516 0.064 18531 9188 1 36 . 1 1 13 13 LYS N N 13 123.500 123.500 122.522 0.978 18531 9189 1 36 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.862 0.258 18531 9190 1 36 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.963 -2.063 18531 9191 1 36 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.696 1.104 18531 9192 1 36 . 1 1 13 13 LYS H H 13 8.140 8.140 8.553 -0.413 18531 9193 1 36 . 1 1 14 14 GLY N N 14 109.100 109.100 110.479 -1.379 18531 9194 1 36 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.633 0.567 18531 9195 1 36 . 1 1 14 14 GLY H H 14 8.340 8.340 7.815 0.525 18531 9196 1 36 . 1 1 15 15 GLU N N 15 118.200 118.200 118.659 -0.459 18531 9197 1 36 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.587 1.013 18531 9198 1 36 . 1 1 15 15 GLU CA C 15 54.500 54.500 56.173 -1.673 18531 9199 1 36 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.300 0.500 18531 9200 1 36 . 1 1 15 15 GLU H H 15 8.390 8.390 8.265 0.125 18531 9201 1 36 . 1 1 16 16 THR N N 16 115.600 115.600 114.860 0.740 18531 9202 1 36 . 1 1 16 16 THR HA H 16 4.730 4.730 4.577 0.153 18531 9203 1 36 . 1 1 16 16 THR CA C 16 60.600 60.600 61.502 -0.902 18531 9204 1 36 . 1 1 16 16 THR CB C 16 69.500 69.500 69.630 -0.130 18531 9205 1 36 . 1 1 16 16 THR H H 16 8.820 8.820 8.497 0.323 18531 9206 1 36 . 1 1 17 17 THR N N 17 111.800 111.800 114.055 -2.255 18531 9207 1 36 . 1 1 17 17 THR HA H 17 5.790 5.790 5.021 0.769 18531 9208 1 36 . 1 1 17 17 THR CA C 17 59.800 59.800 61.040 -1.240 18531 9209 1 36 . 1 1 17 17 THR CB C 17 73.100 73.100 72.018 1.082 18531 9210 1 36 . 1 1 17 17 THR H H 17 8.140 8.140 8.238 -0.098 18531 9211 1 36 . 1 1 18 18 THR N N 18 115.100 115.100 113.510 1.590 18531 9212 1 36 . 1 1 18 18 THR HA H 18 4.640 4.640 4.500 0.140 18531 9213 1 36 . 1 1 18 18 THR CA C 18 61.900 61.900 61.560 0.340 18531 9214 1 36 . 1 1 18 18 THR CB C 18 70.000 70.000 69.324 0.676 18531 9215 1 36 . 1 1 18 18 THR H H 18 8.930 8.930 8.580 0.350 18531 9216 1 36 . 1 1 19 19 LYS N N 19 124.300 124.300 120.505 3.795 18531 9217 1 36 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.774 0.556 18531 9218 1 36 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.619 -0.619 18531 9219 1 36 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.902 -0.102 18531 9220 1 36 . 1 1 19 19 LYS H H 19 7.950 7.950 8.252 -0.302 18531 9221 1 36 . 1 1 20 20 ALA N N 20 124.600 124.600 126.110 -1.510 18531 9222 1 36 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.614 0.166 18531 9223 1 36 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.192 -0.292 18531 9224 1 36 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.097 2.703 18531 9225 1 36 . 1 1 20 20 ALA H H 20 9.110 9.110 8.456 0.654 18531 9226 1 36 . 1 1 21 21 VAL N N 21 115.300 115.300 117.471 -2.171 18531 9227 1 36 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.750 0.360 18531 9228 1 36 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.089 -0.789 18531 9229 1 36 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.998 0.202 18531 9230 1 36 . 1 1 21 21 VAL H H 21 8.480 8.480 8.438 0.042 18531 9231 1 36 . 1 1 22 22 ASP N N 22 115.200 115.200 114.042 1.158 18531 9232 1 36 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.943 -0.233 18531 9233 1 36 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.643 -0.243 18531 9234 1 36 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.428 -0.228 18531 9235 1 36 . 1 1 22 22 ASP H H 22 7.310 7.310 7.547 -0.237 18531 9236 1 36 . 1 1 23 23 ALA N N 23 121.000 121.000 121.250 -0.250 18531 9237 1 36 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.765 -0.425 18531 9238 1 36 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.277 -0.377 18531 9239 1 36 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.362 -0.862 18531 9240 1 36 . 1 1 23 23 ALA H H 23 8.370 8.370 8.799 -0.429 18531 9241 1 36 . 1 1 24 24 GLU N N 24 118.900 118.900 118.363 0.537 18531 9242 1 36 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.932 -0.072 18531 9243 1 36 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.176 0.524 18531 9244 1 36 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.239 -0.139 18531 9245 1 36 . 1 1 24 24 GLU H H 24 8.410 8.410 8.637 -0.227 18531 9246 1 36 . 1 1 25 25 THR N N 25 117.400 117.400 115.302 2.098 18531 9247 1 36 . 1 1 25 25 THR HA H 25 3.670 3.670 4.064 -0.394 18531 9248 1 36 . 1 1 25 25 THR CA C 25 66.800 66.800 65.815 0.985 18531 9249 1 36 . 1 1 25 25 THR CB C 25 68.000 68.000 68.770 -0.770 18531 9250 1 36 . 1 1 25 25 THR H H 25 8.380 8.380 8.039 0.341 18531 9251 1 36 . 1 1 26 26 ALA N N 26 125.100 125.100 124.519 0.581 18531 9252 1 36 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.773 -0.583 18531 9253 1 36 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.558 0.442 18531 9254 1 36 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.584 -0.284 18531 9255 1 36 . 1 1 26 26 ALA H H 26 7.220 7.220 7.713 -0.493 18531 9256 1 36 . 1 1 27 27 GLU N N 27 117.400 117.400 117.684 -0.284 18531 9257 1 36 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.784 -1.194 18531 9258 1 36 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.361 0.340 18531 9259 1 36 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.451 -0.251 18531 9260 1 36 . 1 1 27 27 GLU H H 27 8.370 8.370 8.259 0.111 18531 9261 1 36 . 1 1 28 28 LYS N N 28 116.300 116.300 119.248 -2.948 18531 9262 1 36 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.030 -0.360 18531 9263 1 36 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.681 0.919 18531 9264 1 36 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.231 -0.031 18531 9265 1 36 . 1 1 28 28 LYS H H 28 7.170 7.170 7.564 -0.394 18531 9266 1 36 . 1 1 29 29 ALA N N 29 122.000 122.000 123.523 -1.523 18531 9267 1 36 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.111 -0.021 18531 9268 1 36 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.596 0.104 18531 9269 1 36 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.284 -0.784 18531 9270 1 36 . 1 1 29 29 ALA H H 29 7.200 7.200 7.199 0.001 18531 9271 1 36 . 1 1 30 30 PHE N N 30 119.600 119.600 117.263 2.337 18531 9272 1 36 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.091 0.689 18531 9273 1 36 . 1 1 30 30 PHE CA C 30 56.600 56.600 61.280 -4.680 18531 9274 1 36 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.342 -0.942 18531 9275 1 36 . 1 1 30 30 PHE H H 30 8.610 8.610 8.433 0.177 18531 9276 1 36 . 1 1 31 31 LYS N N 31 122.800 122.800 117.351 5.449 18531 9277 1 36 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.567 0.523 18531 9278 1 36 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.455 1.245 18531 9279 1 36 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.761 -0.161 18531 9280 1 36 . 1 1 31 31 LYS H H 31 9.030 9.030 7.437 1.593 18531 9281 1 36 . 1 1 32 32 GLN N N 32 119.600 119.600 119.878 -0.278 18531 9282 1 36 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.958 0.072 18531 9283 1 36 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.297 -0.597 18531 9284 1 36 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.361 -0.261 18531 9285 1 36 . 1 1 32 32 GLN H H 32 7.510 7.510 7.621 -0.111 18531 9286 1 36 . 1 1 33 33 TYR N N 33 120.400 120.400 119.086 1.314 18531 9287 1 36 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.436 -0.186 18531 9288 1 36 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.850 0.950 18531 9289 1 36 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.396 0.304 18531 9290 1 36 . 1 1 33 33 TYR H H 33 8.080 8.080 7.929 0.151 18531 9291 1 36 . 1 1 34 34 ALA N N 34 122.300 122.300 122.054 0.246 18531 9292 1 36 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.138 -0.358 18531 9293 1 36 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.213 0.887 18531 9294 1 36 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.411 -0.711 18531 9295 1 36 . 1 1 34 34 ALA H H 34 9.210 9.210 8.033 1.177 18531 9296 1 36 . 1 1 35 35 ASN N N 35 117.700 117.700 117.856 -0.156 18531 9297 1 36 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.448 0.012 18531 9298 1 36 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.938 1.062 18531 9299 1 36 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.019 0.981 18531 9300 1 36 . 1 1 35 35 ASN H H 35 8.390 8.390 8.053 0.337 18531 9301 1 36 . 1 1 36 36 ASP N N 36 121.100 121.100 120.421 0.679 18531 9302 1 36 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.388 -0.028 18531 9303 1 36 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.852 -0.152 18531 9304 1 36 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.138 -0.138 18531 9305 1 36 . 1 1 36 36 ASP H H 36 8.830 8.830 8.277 0.553 18531 9306 1 36 . 1 1 37 37 ASN N N 37 115.200 115.200 114.448 0.752 18531 9307 1 36 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.756 -0.146 18531 9308 1 36 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.871 0.829 18531 9309 1 36 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.335 0.665 18531 9310 1 36 . 1 1 37 37 ASN H H 37 7.390 7.390 7.442 -0.052 18531 9311 1 36 . 1 1 38 38 GLY N N 38 108.200 108.200 108.836 -0.636 18531 9312 1 36 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.198 0.202 18531 9313 1 36 . 1 1 38 38 GLY H H 38 7.800 7.800 8.107 -0.307 18531 9314 1 36 . 1 1 39 39 VAL N N 39 120.800 120.800 120.808 -0.008 18531 9315 1 36 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.214 -0.074 18531 9316 1 36 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.883 -0.183 18531 9317 1 36 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.346 1.954 18531 9318 1 36 . 1 1 39 39 VAL H H 39 8.120 8.120 8.213 -0.093 18531 9319 1 36 . 1 1 40 40 ASP N N 40 128.000 128.000 127.625 0.375 18531 9320 1 36 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.111 -0.221 18531 9321 1 36 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.714 0.086 18531 9322 1 36 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.493 -1.393 18531 9323 1 36 . 1 1 40 40 ASP H H 40 8.770 8.770 8.407 0.363 18531 9324 1 36 . 1 1 41 41 GLY N N 41 107.100 107.100 109.162 -2.062 18531 9325 1 36 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.247 0.153 18531 9326 1 36 . 1 1 41 41 GLY H H 41 7.910 7.910 8.268 -0.358 18531 9327 1 36 . 1 1 42 42 VAL N N 42 120.300 120.300 122.943 -2.643 18531 9328 1 36 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.347 0.033 18531 9329 1 36 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.370 -0.270 18531 9330 1 36 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.505 0.895 18531 9331 1 36 . 1 1 42 42 VAL H H 42 8.250 8.250 8.285 -0.035 18531 9332 1 36 . 1 1 43 43 TRP N N 43 130.700 130.700 130.031 0.669 18531 9333 1 36 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.426 -0.066 18531 9334 1 36 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.762 0.838 18531 9335 1 36 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.443 -1.243 18531 9336 1 36 . 1 1 43 43 TRP H H 43 9.360 9.360 8.570 0.790 18531 9337 1 36 . 1 1 44 44 THR N N 44 114.500 114.500 113.754 0.746 18531 9338 1 36 . 1 1 44 44 THR HA H 44 4.830 4.830 4.642 0.188 18531 9339 1 36 . 1 1 44 44 THR CA C 44 60.300 60.300 61.063 -0.763 18531 9340 1 36 . 1 1 44 44 THR CB C 44 72.100 72.100 71.757 0.343 18531 9341 1 36 . 1 1 44 44 THR H H 44 9.400 9.400 8.351 1.049 18531 9342 1 36 . 1 1 45 45 TYR N N 45 120.100 120.100 123.630 -3.530 18531 9343 1 36 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.250 0.720 18531 9344 1 36 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.523 0.477 18531 9345 1 36 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.743 0.856 18531 9346 1 36 . 1 1 45 45 TYR H H 45 8.580 8.580 8.585 -0.005 18531 9347 1 36 . 1 1 46 46 ASP N N 46 128.300 128.300 129.180 -0.880 18531 9348 1 36 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.535 0.045 18531 9349 1 36 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.102 -0.202 18531 9350 1 36 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.757 1.343 18531 9351 1 36 . 1 1 46 46 ASP H H 46 7.580 7.580 7.795 -0.215 18531 9352 1 36 . 1 1 47 47 ASP N N 47 124.800 124.800 125.581 -0.781 18531 9353 1 36 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.363 -0.253 18531 9354 1 36 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.533 -0.033 18531 9355 1 36 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.558 1.542 18531 9356 1 36 . 1 1 47 47 ASP H H 47 8.590 8.590 8.017 0.573 18531 9357 1 36 . 1 1 48 48 ALA N N 48 119.700 119.700 123.021 -3.321 18531 9358 1 36 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.093 -0.003 18531 9359 1 36 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.636 0.364 18531 9360 1 36 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.613 -0.313 18531 9361 1 36 . 1 1 48 48 ALA H H 48 8.340 8.340 7.885 0.455 18531 9362 1 36 . 1 1 49 49 THR N N 49 103.200 103.200 107.093 -3.893 18531 9363 1 36 . 1 1 49 49 THR HA H 49 4.390 4.390 4.518 -0.128 18531 9364 1 36 . 1 1 49 49 THR CA C 49 60.200 60.200 60.928 -0.728 18531 9365 1 36 . 1 1 49 49 THR CB C 49 70.000 70.000 69.919 0.081 18531 9366 1 36 . 1 1 49 49 THR H H 49 7.000 7.000 7.669 -0.669 18531 9367 1 36 . 1 1 50 50 LYS N N 50 123.100 123.100 119.870 3.230 18531 9368 1 36 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.995 0.195 18531 9369 1 36 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.538 -0.938 18531 9370 1 36 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.786 -1.186 18531 9371 1 36 . 1 1 50 50 LYS H H 50 7.860 7.860 7.690 0.170 18531 9372 1 36 . 1 1 51 51 THR N N 51 111.200 111.200 114.893 -3.693 18531 9373 1 36 . 1 1 51 51 THR HA H 51 5.490 5.490 5.497 -0.007 18531 9374 1 36 . 1 1 51 51 THR CA C 51 62.300 62.300 61.872 0.428 18531 9375 1 36 . 1 1 51 51 THR CB C 51 72.100 72.100 71.727 0.373 18531 9376 1 36 . 1 1 51 51 THR H H 51 7.390 7.390 7.380 0.010 18531 9377 1 36 . 1 1 52 52 PHE N N 52 131.000 131.000 125.878 5.122 18531 9378 1 36 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.384 0.246 18531 9379 1 36 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.850 1.450 18531 9380 1 36 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.551 0.049 18531 9381 1 36 . 1 1 52 52 PHE H H 52 10.390 10.390 9.458 0.932 18531 9382 1 36 . 1 1 53 53 THR N N 53 117.400 117.400 116.660 0.740 18531 9383 1 36 . 1 1 53 53 THR HA H 53 5.270 5.270 4.461 0.809 18531 9384 1 36 . 1 1 53 53 THR CA C 53 61.200 61.200 61.843 -0.643 18531 9385 1 36 . 1 1 53 53 THR CB C 53 71.000 71.000 70.395 0.605 18531 9386 1 36 . 1 1 53 53 THR H H 53 9.180 9.180 8.434 0.746 18531 9387 1 36 . 1 1 54 54 VAL N N 54 123.000 123.000 127.874 -4.874 18531 9388 1 36 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.600 0.860 18531 9389 1 36 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.579 -0.479 18531 9390 1 36 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.594 -0.294 18531 9391 1 36 . 1 1 54 54 VAL H H 54 8.280 8.280 7.664 0.616 18531 9392 1 36 . 1 1 55 55 THR N N 55 123.900 123.900 122.909 0.991 18531 9393 1 36 . 1 1 55 55 THR HA H 55 4.700 4.700 4.703 -0.003 18531 9394 1 36 . 1 1 55 55 THR CA C 55 61.200 61.200 60.342 0.858 18531 9395 1 36 . 1 1 55 55 THR CB C 55 70.700 70.700 70.871 -0.171 18531 9396 1 36 . 1 1 55 55 THR H H 55 8.320 8.320 7.702 0.618 18531 9397 1 37 . 1 1 2 2 GLN HA H 2 5.050 5.050 3.967 1.083 18531 9398 1 37 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.993 -0.393 18531 9399 1 37 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.913 1.787 18531 9400 1 37 . 1 1 2 2 GLN H H 2 8.410 8.410 8.107 0.303 18531 9401 1 37 . 1 1 3 3 TYR N N 3 124.000 124.000 122.050 1.950 18531 9402 1 37 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.959 0.401 18531 9403 1 37 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.984 0.115 18531 9404 1 37 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.732 1.868 18531 9405 1 37 . 1 1 3 3 TYR H H 3 9.070 9.070 8.423 0.647 18531 9406 1 37 . 1 1 4 4 LYS N N 4 122.500 122.500 123.477 -0.977 18531 9407 1 37 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.884 0.336 18531 9408 1 37 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.412 -0.412 18531 9409 1 37 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.694 0.306 18531 9410 1 37 . 1 1 4 4 LYS H H 4 9.100 9.100 8.571 0.529 18531 9411 1 37 . 1 1 5 5 LEU N N 5 126.400 126.400 128.189 -1.789 18531 9412 1 37 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.556 -0.586 18531 9413 1 37 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.092 -0.292 18531 9414 1 37 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.249 -3.649 18531 9415 1 37 . 1 1 5 5 LEU H H 5 8.620 8.620 9.041 -0.421 18531 9416 1 37 . 1 1 6 6 VAL N N 6 127.000 127.000 125.634 1.366 18531 9417 1 37 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.360 -0.200 18531 9418 1 37 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.380 0.920 18531 9419 1 37 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.895 -2.195 18531 9420 1 37 . 1 1 6 6 VAL H H 6 9.190 9.190 7.976 1.214 18531 9421 1 37 . 1 1 7 7 ILE N N 7 125.400 125.400 126.737 -1.337 18531 9422 1 37 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.295 -0.205 18531 9423 1 37 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.576 0.124 18531 9424 1 37 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.410 -0.410 18531 9425 1 37 . 1 1 7 7 ILE H H 7 8.800 8.800 8.996 -0.196 18531 9426 1 37 . 1 1 8 8 ASN N N 8 128.900 128.900 126.958 1.942 18531 9427 1 37 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.983 0.297 18531 9428 1 37 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.403 -1.603 18531 9429 1 37 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.002 -0.902 18531 9430 1 37 . 1 1 8 8 ASN H H 8 8.990 8.990 8.024 0.966 18531 9431 1 37 . 1 1 9 9 GLY N N 9 110.200 110.200 107.934 2.266 18531 9432 1 37 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.261 0.439 18531 9433 1 37 . 1 1 9 9 GLY H H 9 7.920 7.920 8.094 -0.174 18531 9434 1 37 . 1 1 10 10 LYS N N 10 120.700 120.700 123.265 -2.565 18531 9435 1 37 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.976 0.084 18531 9436 1 37 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.916 0.284 18531 9437 1 37 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.381 0.519 18531 9438 1 37 . 1 1 10 10 LYS H H 10 9.520 9.520 8.727 0.793 18531 9439 1 37 . 1 1 11 11 THR N N 11 108.900 108.900 108.081 0.819 18531 9440 1 37 . 1 1 11 11 THR HA H 11 4.360 4.360 4.280 0.080 18531 9441 1 37 . 1 1 11 11 THR CA C 11 62.000 62.000 62.162 -0.162 18531 9442 1 37 . 1 1 11 11 THR CB C 11 69.800 69.800 69.258 0.542 18531 9443 1 37 . 1 1 11 11 THR H H 11 8.790 8.790 7.538 1.252 18531 9444 1 37 . 1 1 12 12 LEU N N 12 125.700 125.700 123.335 2.365 18531 9445 1 37 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.646 -0.206 18531 9446 1 37 . 1 1 12 12 LEU CA C 12 55.000 55.000 53.888 1.112 18531 9447 1 37 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.699 -0.399 18531 9448 1 37 . 1 1 12 12 LEU H H 12 7.580 7.580 7.711 -0.131 18531 9449 1 37 . 1 1 13 13 LYS N N 13 123.500 123.500 125.281 -1.781 18531 9450 1 37 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.780 0.340 18531 9451 1 37 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.225 -1.325 18531 9452 1 37 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.611 -0.811 18531 9453 1 37 . 1 1 13 13 LYS H H 13 8.140 8.140 8.521 -0.381 18531 9454 1 37 . 1 1 14 14 GLY N N 14 109.100 109.100 110.219 -1.119 18531 9455 1 37 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.061 -0.861 18531 9456 1 37 . 1 1 14 14 GLY H H 14 8.340 8.340 8.724 -0.384 18531 9457 1 37 . 1 1 15 15 GLU N N 15 118.200 118.200 119.476 -1.276 18531 9458 1 37 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.109 0.491 18531 9459 1 37 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.400 -0.900 18531 9460 1 37 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.693 0.107 18531 9461 1 37 . 1 1 15 15 GLU H H 15 8.390 8.390 8.420 -0.030 18531 9462 1 37 . 1 1 16 16 THR N N 16 115.600 115.600 114.377 1.223 18531 9463 1 37 . 1 1 16 16 THR HA H 16 4.730 4.730 4.587 0.143 18531 9464 1 37 . 1 1 16 16 THR CA C 16 60.600 60.600 61.935 -1.335 18531 9465 1 37 . 1 1 16 16 THR CB C 16 69.500 69.500 69.756 -0.256 18531 9466 1 37 . 1 1 16 16 THR H H 16 8.820 8.820 8.651 0.169 18531 9467 1 37 . 1 1 17 17 THR N N 17 111.800 111.800 114.610 -2.810 18531 9468 1 37 . 1 1 17 17 THR HA H 17 5.790 5.790 5.399 0.391 18531 9469 1 37 . 1 1 17 17 THR CA C 17 59.800 59.800 60.429 -0.630 18531 9470 1 37 . 1 1 17 17 THR CB C 17 73.100 73.100 72.429 0.671 18531 9471 1 37 . 1 1 17 17 THR H H 17 8.140 8.140 8.205 -0.065 18531 9472 1 37 . 1 1 18 18 THR N N 18 115.100 115.100 114.668 0.432 18531 9473 1 37 . 1 1 18 18 THR HA H 18 4.640 4.640 4.535 0.105 18531 9474 1 37 . 1 1 18 18 THR CA C 18 61.900 61.900 61.336 0.564 18531 9475 1 37 . 1 1 18 18 THR CB C 18 70.000 70.000 69.996 0.004 18531 9476 1 37 . 1 1 18 18 THR H H 18 8.930 8.930 8.526 0.404 18531 9477 1 37 . 1 1 19 19 LYS N N 19 124.300 124.300 120.353 3.947 18531 9478 1 37 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.674 0.656 18531 9479 1 37 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.568 -0.568 18531 9480 1 37 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.654 -0.854 18531 9481 1 37 . 1 1 19 19 LYS H H 19 7.950 7.950 8.305 -0.355 18531 9482 1 37 . 1 1 20 20 ALA N N 20 124.600 124.600 125.969 -1.369 18531 9483 1 37 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.596 0.184 18531 9484 1 37 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.384 -0.484 18531 9485 1 37 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.380 2.420 18531 9486 1 37 . 1 1 20 20 ALA H H 20 9.110 9.110 8.263 0.847 18531 9487 1 37 . 1 1 21 21 VAL N N 21 115.300 115.300 118.812 -3.512 18531 9488 1 37 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.888 0.222 18531 9489 1 37 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.667 -1.367 18531 9490 1 37 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.433 0.767 18531 9491 1 37 . 1 1 21 21 VAL H H 21 8.480 8.480 8.498 -0.018 18531 9492 1 37 . 1 1 22 22 ASP N N 22 115.200 115.200 113.887 1.313 18531 9493 1 37 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.864 -0.154 18531 9494 1 37 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.446 -0.046 18531 9495 1 37 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.838 0.362 18531 9496 1 37 . 1 1 22 22 ASP H H 22 7.310 7.310 7.759 -0.449 18531 9497 1 37 . 1 1 23 23 ALA N N 23 121.000 121.000 121.014 -0.014 18531 9498 1 37 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.710 -0.370 18531 9499 1 37 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.936 -0.036 18531 9500 1 37 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.650 -1.150 18531 9501 1 37 . 1 1 23 23 ALA H H 23 8.370 8.370 8.782 -0.412 18531 9502 1 37 . 1 1 24 24 GLU N N 24 118.900 118.900 119.430 -0.530 18531 9503 1 37 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.936 -0.076 18531 9504 1 37 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.411 0.289 18531 9505 1 37 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.284 -0.184 18531 9506 1 37 . 1 1 24 24 GLU H H 24 8.410 8.410 8.379 0.031 18531 9507 1 37 . 1 1 25 25 THR N N 25 117.400 117.400 115.713 1.687 18531 9508 1 37 . 1 1 25 25 THR HA H 25 3.670 3.670 3.953 -0.283 18531 9509 1 37 . 1 1 25 25 THR CA C 25 66.800 66.800 66.235 0.565 18531 9510 1 37 . 1 1 25 25 THR CB C 25 68.000 68.000 68.434 -0.434 18531 9511 1 37 . 1 1 25 25 THR H H 25 8.380 8.380 8.468 -0.088 18531 9512 1 37 . 1 1 26 26 ALA N N 26 125.100 125.100 123.202 1.898 18531 9513 1 37 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.979 -0.789 18531 9514 1 37 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.231 0.769 18531 9515 1 37 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.942 -0.642 18531 9516 1 37 . 1 1 26 26 ALA H H 26 7.220 7.220 7.261 -0.041 18531 9517 1 37 . 1 1 27 27 GLU N N 27 117.400 117.400 119.728 -2.328 18531 9518 1 37 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.823 -1.233 18531 9519 1 37 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.791 -0.091 18531 9520 1 37 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.409 -0.209 18531 9521 1 37 . 1 1 27 27 GLU H H 27 8.370 8.370 8.080 0.290 18531 9522 1 37 . 1 1 28 28 LYS N N 28 116.300 116.300 118.204 -1.904 18531 9523 1 37 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.016 -0.346 18531 9524 1 37 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.934 0.666 18531 9525 1 37 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.652 0.548 18531 9526 1 37 . 1 1 28 28 LYS H H 28 7.170 7.170 7.615 -0.445 18531 9527 1 37 . 1 1 29 29 ALA N N 29 122.000 122.000 121.907 0.093 18531 9528 1 37 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.155 -0.065 18531 9529 1 37 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.431 0.269 18531 9530 1 37 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.130 -0.630 18531 9531 1 37 . 1 1 29 29 ALA H H 29 7.200 7.200 7.267 -0.067 18531 9532 1 37 . 1 1 30 30 PHE N N 30 119.600 119.600 118.524 1.076 18531 9533 1 37 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.378 0.402 18531 9534 1 37 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.378 -3.778 18531 9535 1 37 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.885 -1.485 18531 9536 1 37 . 1 1 30 30 PHE H H 30 8.610 8.610 8.258 0.352 18531 9537 1 37 . 1 1 31 31 LYS N N 31 122.800 122.800 118.668 4.132 18531 9538 1 37 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.626 0.464 18531 9539 1 37 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.552 1.148 18531 9540 1 37 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.685 -0.085 18531 9541 1 37 . 1 1 31 31 LYS H H 31 9.030 9.030 8.412 0.618 18531 9542 1 37 . 1 1 32 32 GLN N N 32 119.600 119.600 119.199 0.401 18531 9543 1 37 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.964 0.066 18531 9544 1 37 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.324 -0.624 18531 9545 1 37 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.376 -0.276 18531 9546 1 37 . 1 1 32 32 GLN H H 32 7.510 7.510 7.825 -0.315 18531 9547 1 37 . 1 1 33 33 TYR N N 33 120.400 120.400 119.837 0.563 18531 9548 1 37 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.455 -0.205 18531 9549 1 37 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.515 1.285 18531 9550 1 37 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.173 0.527 18531 9551 1 37 . 1 1 33 33 TYR H H 33 8.080 8.080 7.760 0.320 18531 9552 1 37 . 1 1 34 34 ALA N N 34 122.300 122.300 121.643 0.657 18531 9553 1 37 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.943 -0.163 18531 9554 1 37 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.022 1.078 18531 9555 1 37 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.406 -0.706 18531 9556 1 37 . 1 1 34 34 ALA H H 34 9.210 9.210 7.944 1.266 18531 9557 1 37 . 1 1 35 35 ASN N N 35 117.700 117.700 117.603 0.097 18531 9558 1 37 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.452 0.008 18531 9559 1 37 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.937 1.063 18531 9560 1 37 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.065 0.935 18531 9561 1 37 . 1 1 35 35 ASN H H 35 8.390 8.390 8.005 0.385 18531 9562 1 37 . 1 1 36 36 ASP N N 36 121.100 121.100 120.847 0.253 18531 9563 1 37 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.411 -0.051 18531 9564 1 37 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.968 -0.267 18531 9565 1 37 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.264 -0.264 18531 9566 1 37 . 1 1 36 36 ASP H H 36 8.830 8.830 8.257 0.573 18531 9567 1 37 . 1 1 37 37 ASN N N 37 115.200 115.200 114.617 0.583 18531 9568 1 37 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.719 -0.109 18531 9569 1 37 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.776 0.924 18531 9570 1 37 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.024 0.976 18531 9571 1 37 . 1 1 37 37 ASN H H 37 7.390 7.390 7.241 0.149 18531 9572 1 37 . 1 1 38 38 GLY N N 38 108.200 108.200 106.894 1.306 18531 9573 1 37 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.269 1.131 18531 9574 1 37 . 1 1 38 38 GLY H H 38 7.800 7.800 7.853 -0.053 18531 9575 1 37 . 1 1 39 39 VAL N N 39 120.800 120.800 121.045 -0.245 18531 9576 1 37 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.520 -0.380 18531 9577 1 37 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.108 -0.409 18531 9578 1 37 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.298 1.002 18531 9579 1 37 . 1 1 39 39 VAL H H 39 8.120 8.120 8.146 -0.026 18531 9580 1 37 . 1 1 40 40 ASP N N 40 128.000 128.000 127.768 0.232 18531 9581 1 37 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.095 -0.205 18531 9582 1 37 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.401 -0.601 18531 9583 1 37 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.900 -1.800 18531 9584 1 37 . 1 1 40 40 ASP H H 40 8.770 8.770 8.270 0.500 18531 9585 1 37 . 1 1 41 41 GLY N N 41 107.100 107.100 110.622 -3.522 18531 9586 1 37 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.514 -0.113 18531 9587 1 37 . 1 1 41 41 GLY H H 41 7.910 7.910 8.416 -0.506 18531 9588 1 37 . 1 1 42 42 VAL N N 42 120.300 120.300 123.424 -3.124 18531 9589 1 37 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.444 -0.064 18531 9590 1 37 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.911 0.189 18531 9591 1 37 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.620 -0.220 18531 9592 1 37 . 1 1 42 42 VAL H H 42 8.250 8.250 8.170 0.080 18531 9593 1 37 . 1 1 43 43 TRP N N 43 130.700 130.700 127.507 3.193 18531 9594 1 37 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.567 -0.207 18531 9595 1 37 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.183 1.417 18531 9596 1 37 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.635 -2.435 18531 9597 1 37 . 1 1 43 43 TRP H H 43 9.360 9.360 8.773 0.587 18531 9598 1 37 . 1 1 44 44 THR N N 44 114.500 114.500 115.503 -1.003 18531 9599 1 37 . 1 1 44 44 THR HA H 44 4.830 4.830 4.756 0.074 18531 9600 1 37 . 1 1 44 44 THR CA C 44 60.300 60.300 61.029 -0.730 18531 9601 1 37 . 1 1 44 44 THR CB C 44 72.100 72.100 71.415 0.685 18531 9602 1 37 . 1 1 44 44 THR H H 44 9.400 9.400 8.623 0.777 18531 9603 1 37 . 1 1 45 45 TYR N N 45 120.100 120.100 125.172 -5.072 18531 9604 1 37 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.309 0.661 18531 9605 1 37 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.199 0.801 18531 9606 1 37 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.412 1.188 18531 9607 1 37 . 1 1 45 45 TYR H H 45 8.580 8.580 8.635 -0.055 18531 9608 1 37 . 1 1 46 46 ASP N N 46 128.300 128.300 129.140 -0.840 18531 9609 1 37 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.468 0.112 18531 9610 1 37 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.169 -0.268 18531 9611 1 37 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.399 1.701 18531 9612 1 37 . 1 1 46 46 ASP H H 46 7.580 7.580 7.971 -0.391 18531 9613 1 37 . 1 1 47 47 ASP N N 47 124.800 124.800 124.615 0.185 18531 9614 1 37 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.358 -0.248 18531 9615 1 37 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.695 -0.195 18531 9616 1 37 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.551 1.549 18531 9617 1 37 . 1 1 47 47 ASP H H 47 8.590 8.590 8.127 0.463 18531 9618 1 37 . 1 1 48 48 ALA N N 48 119.700 119.700 123.080 -3.380 18531 9619 1 37 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.017 0.073 18531 9620 1 37 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.551 0.449 18531 9621 1 37 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.712 -0.412 18531 9622 1 37 . 1 1 48 48 ALA H H 48 8.340 8.340 7.811 0.529 18531 9623 1 37 . 1 1 49 49 THR N N 49 103.200 103.200 110.705 -7.505 18531 9624 1 37 . 1 1 49 49 THR HA H 49 4.390 4.390 4.431 -0.041 18531 9625 1 37 . 1 1 49 49 THR CA C 49 60.200 60.200 60.323 -0.123 18531 9626 1 37 . 1 1 49 49 THR CB C 49 70.000 70.000 68.644 1.356 18531 9627 1 37 . 1 1 49 49 THR H H 49 7.000 7.000 7.624 -0.624 18531 9628 1 37 . 1 1 50 50 LYS N N 50 123.100 123.100 120.220 2.880 18531 9629 1 37 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.045 0.145 18531 9630 1 37 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.315 -0.715 18531 9631 1 37 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.876 -1.276 18531 9632 1 37 . 1 1 50 50 LYS H H 50 7.860 7.860 7.647 0.213 18531 9633 1 37 . 1 1 51 51 THR N N 51 111.200 111.200 115.822 -4.622 18531 9634 1 37 . 1 1 51 51 THR HA H 51 5.490 5.490 4.812 0.678 18531 9635 1 37 . 1 1 51 51 THR CA C 51 62.300 62.300 62.447 -0.146 18531 9636 1 37 . 1 1 51 51 THR CB C 51 72.100 72.100 69.338 2.763 18531 9637 1 37 . 1 1 51 51 THR H H 51 7.390 7.390 7.442 -0.052 18531 9638 1 37 . 1 1 52 52 PHE N N 52 131.000 131.000 128.895 2.105 18531 9639 1 37 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.542 0.088 18531 9640 1 37 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.221 1.079 18531 9641 1 37 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.070 1.530 18531 9642 1 37 . 1 1 52 52 PHE H H 52 10.390 10.390 8.945 1.445 18531 9643 1 37 . 1 1 53 53 THR N N 53 117.400 117.400 117.545 -0.145 18531 9644 1 37 . 1 1 53 53 THR HA H 53 5.270 5.270 4.650 0.620 18531 9645 1 37 . 1 1 53 53 THR CA C 53 61.200 61.200 61.205 -0.005 18531 9646 1 37 . 1 1 53 53 THR CB C 53 71.000 71.000 72.415 -1.415 18531 9647 1 37 . 1 1 53 53 THR H H 53 9.180 9.180 8.469 0.711 18531 9648 1 37 . 1 1 54 54 VAL N N 54 123.000 123.000 123.250 -0.250 18531 9649 1 37 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.883 0.577 18531 9650 1 37 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.298 -1.198 18531 9651 1 37 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.055 -0.755 18531 9652 1 37 . 1 1 54 54 VAL H H 54 8.280 8.280 7.929 0.351 18531 9653 1 37 . 1 1 55 55 THR N N 55 123.900 123.900 123.683 0.217 18531 9654 1 37 . 1 1 55 55 THR HA H 55 4.700 4.700 4.596 0.104 18531 9655 1 37 . 1 1 55 55 THR CA C 55 61.200 61.200 60.948 0.252 18531 9656 1 37 . 1 1 55 55 THR CB C 55 70.700 70.700 70.695 0.005 18531 9657 1 37 . 1 1 55 55 THR H H 55 8.320 8.320 8.669 -0.349 18531 9658 1 38 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.531 0.519 18531 9659 1 38 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.276 0.324 18531 9660 1 38 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.426 -0.726 18531 9661 1 38 . 1 1 2 2 GLN H H 2 8.410 8.410 8.095 0.315 18531 9662 1 38 . 1 1 3 3 TYR N N 3 124.000 124.000 122.440 1.560 18531 9663 1 38 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.360 0.000 18531 9664 1 38 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.974 0.126 18531 9665 1 38 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.440 3.160 18531 9666 1 38 . 1 1 3 3 TYR H H 3 9.070 9.070 9.184 -0.114 18531 9667 1 38 . 1 1 4 4 LYS N N 4 122.500 122.500 122.476 0.024 18531 9668 1 38 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.915 0.305 18531 9669 1 38 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.807 0.193 18531 9670 1 38 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.685 0.315 18531 9671 1 38 . 1 1 4 4 LYS H H 4 9.100 9.100 8.623 0.477 18531 9672 1 38 . 1 1 5 5 LEU N N 5 126.400 126.400 126.715 -0.315 18531 9673 1 38 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.818 0.152 18531 9674 1 38 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.459 -0.659 18531 9675 1 38 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.543 -3.943 18531 9676 1 38 . 1 1 5 5 LEU H H 5 8.620 8.620 8.615 0.005 18531 9677 1 38 . 1 1 6 6 VAL N N 6 127.000 127.000 125.264 1.736 18531 9678 1 38 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.295 -0.135 18531 9679 1 38 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.733 0.567 18531 9680 1 38 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.225 -0.525 18531 9681 1 38 . 1 1 6 6 VAL H H 6 9.190 9.190 8.176 1.014 18531 9682 1 38 . 1 1 7 7 ILE N N 7 125.400 125.400 129.148 -3.748 18531 9683 1 38 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.134 -0.044 18531 9684 1 38 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.209 -0.509 18531 9685 1 38 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.180 0.820 18531 9686 1 38 . 1 1 7 7 ILE H H 7 8.800 8.800 8.412 0.388 18531 9687 1 38 . 1 1 8 8 ASN N N 8 128.900 128.900 127.765 1.135 18531 9688 1 38 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.984 0.296 18531 9689 1 38 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.301 -1.501 18531 9690 1 38 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.529 -0.430 18531 9691 1 38 . 1 1 8 8 ASN H H 8 8.990 8.990 7.938 1.052 18531 9692 1 38 . 1 1 9 9 GLY N N 9 110.200 110.200 107.012 3.188 18531 9693 1 38 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.270 0.430 18531 9694 1 38 . 1 1 9 9 GLY H H 9 7.920 7.920 8.268 -0.348 18531 9695 1 38 . 1 1 10 10 LYS N N 10 120.700 120.700 121.761 -1.061 18531 9696 1 38 . 1 1 10 10 LYS HA H 10 4.060 4.060 3.993 0.067 18531 9697 1 38 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.770 0.430 18531 9698 1 38 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.442 0.458 18531 9699 1 38 . 1 1 10 10 LYS H H 10 9.520 9.520 8.642 0.878 18531 9700 1 38 . 1 1 11 11 THR N N 11 108.900 108.900 107.606 1.294 18531 9701 1 38 . 1 1 11 11 THR HA H 11 4.360 4.360 4.298 0.062 18531 9702 1 38 . 1 1 11 11 THR CA C 11 62.000 62.000 61.895 0.105 18531 9703 1 38 . 1 1 11 11 THR CB C 11 69.800 69.800 69.486 0.314 18531 9704 1 38 . 1 1 11 11 THR H H 11 8.790 8.790 7.672 1.118 18531 9705 1 38 . 1 1 12 12 LEU N N 12 125.700 125.700 123.884 1.816 18531 9706 1 38 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.557 -0.117 18531 9707 1 38 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.340 0.660 18531 9708 1 38 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.111 0.189 18531 9709 1 38 . 1 1 12 12 LEU H H 12 7.580 7.580 7.835 -0.255 18531 9710 1 38 . 1 1 13 13 LYS N N 13 123.500 123.500 126.116 -2.616 18531 9711 1 38 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.001 0.119 18531 9712 1 38 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.342 -1.442 18531 9713 1 38 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.162 -0.362 18531 9714 1 38 . 1 1 13 13 LYS H H 13 8.140 8.140 8.546 -0.406 18531 9715 1 38 . 1 1 14 14 GLY N N 14 109.100 109.100 111.557 -2.457 18531 9716 1 38 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.656 -0.456 18531 9717 1 38 . 1 1 14 14 GLY H H 14 8.340 8.340 8.732 -0.392 18531 9718 1 38 . 1 1 15 15 GLU N N 15 118.200 118.200 118.929 -0.729 18531 9719 1 38 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.760 0.840 18531 9720 1 38 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.642 -1.142 18531 9721 1 38 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.341 0.459 18531 9722 1 38 . 1 1 15 15 GLU H H 15 8.390 8.390 8.426 -0.036 18531 9723 1 38 . 1 1 16 16 THR N N 16 115.600 115.600 115.485 0.115 18531 9724 1 38 . 1 1 16 16 THR HA H 16 4.730 4.730 4.587 0.143 18531 9725 1 38 . 1 1 16 16 THR CA C 16 60.600 60.600 61.561 -0.961 18531 9726 1 38 . 1 1 16 16 THR CB C 16 69.500 69.500 69.367 0.133 18531 9727 1 38 . 1 1 16 16 THR H H 16 8.820 8.820 8.338 0.482 18531 9728 1 38 . 1 1 17 17 THR N N 17 111.800 111.800 115.179 -3.379 18531 9729 1 38 . 1 1 17 17 THR HA H 17 5.790 5.790 5.458 0.332 18531 9730 1 38 . 1 1 17 17 THR CA C 17 59.800 59.800 60.108 -0.308 18531 9731 1 38 . 1 1 17 17 THR CB C 17 73.100 73.100 72.295 0.805 18531 9732 1 38 . 1 1 17 17 THR H H 17 8.140 8.140 8.194 -0.054 18531 9733 1 38 . 1 1 18 18 THR N N 18 115.100 115.100 114.946 0.154 18531 9734 1 38 . 1 1 18 18 THR HA H 18 4.640 4.640 4.631 0.009 18531 9735 1 38 . 1 1 18 18 THR CA C 18 61.900 61.900 61.371 0.529 18531 9736 1 38 . 1 1 18 18 THR CB C 18 70.000 70.000 71.393 -1.393 18531 9737 1 38 . 1 1 18 18 THR H H 18 8.930 8.930 8.690 0.240 18531 9738 1 38 . 1 1 19 19 LYS N N 19 124.300 124.300 122.742 1.558 18531 9739 1 38 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.689 0.641 18531 9740 1 38 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.038 -0.038 18531 9741 1 38 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.368 -0.568 18531 9742 1 38 . 1 1 19 19 LYS H H 19 7.950 7.950 8.378 -0.428 18531 9743 1 38 . 1 1 20 20 ALA N N 20 124.600 124.600 127.059 -2.459 18531 9744 1 38 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.650 0.130 18531 9745 1 38 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.224 -0.324 18531 9746 1 38 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.700 2.100 18531 9747 1 38 . 1 1 20 20 ALA H H 20 9.110 9.110 8.194 0.916 18531 9748 1 38 . 1 1 21 21 VAL N N 21 115.300 115.300 115.823 -0.523 18531 9749 1 38 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.828 0.282 18531 9750 1 38 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.362 -1.062 18531 9751 1 38 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.197 1.003 18531 9752 1 38 . 1 1 21 21 VAL H H 21 8.480 8.480 8.468 0.012 18531 9753 1 38 . 1 1 22 22 ASP N N 22 115.200 115.200 114.743 0.457 18531 9754 1 38 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.850 -0.140 18531 9755 1 38 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.423 -0.023 18531 9756 1 38 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.433 -0.233 18531 9757 1 38 . 1 1 22 22 ASP H H 22 7.310 7.310 7.759 -0.449 18531 9758 1 38 . 1 1 23 23 ALA N N 23 121.000 121.000 120.835 0.165 18531 9759 1 38 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.856 -0.516 18531 9760 1 38 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.275 0.625 18531 9761 1 38 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.784 -1.284 18531 9762 1 38 . 1 1 23 23 ALA H H 23 8.370 8.370 8.734 -0.364 18531 9763 1 38 . 1 1 24 24 GLU N N 24 118.900 118.900 120.037 -1.137 18531 9764 1 38 . 1 1 24 24 GLU HA H 24 3.860 3.860 4.031 -0.171 18531 9765 1 38 . 1 1 24 24 GLU CA C 24 59.700 59.700 58.711 0.989 18531 9766 1 38 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.404 -0.304 18531 9767 1 38 . 1 1 24 24 GLU H H 24 8.410 8.410 8.042 0.368 18531 9768 1 38 . 1 1 25 25 THR N N 25 117.400 117.400 115.391 2.009 18531 9769 1 38 . 1 1 25 25 THR HA H 25 3.670 3.670 3.953 -0.283 18531 9770 1 38 . 1 1 25 25 THR CA C 25 66.800 66.800 65.939 0.861 18531 9771 1 38 . 1 1 25 25 THR CB C 25 68.000 68.000 68.887 -0.887 18531 9772 1 38 . 1 1 25 25 THR H H 25 8.380 8.380 8.798 -0.418 18531 9773 1 38 . 1 1 26 26 ALA N N 26 125.100 125.100 122.234 2.866 18531 9774 1 38 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.969 -0.779 18531 9775 1 38 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.756 0.244 18531 9776 1 38 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.061 -0.761 18531 9777 1 38 . 1 1 26 26 ALA H H 26 7.220 7.220 7.520 -0.300 18531 9778 1 38 . 1 1 27 27 GLU N N 27 117.400 117.400 118.348 -0.948 18531 9779 1 38 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.654 -1.064 18531 9780 1 38 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.821 -0.121 18531 9781 1 38 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.168 0.032 18531 9782 1 38 . 1 1 27 27 GLU H H 27 8.370 8.370 7.786 0.584 18531 9783 1 38 . 1 1 28 28 LYS N N 28 116.300 116.300 118.528 -2.228 18531 9784 1 38 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.942 -0.272 18531 9785 1 38 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.497 0.103 18531 9786 1 38 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.934 0.266 18531 9787 1 38 . 1 1 28 28 LYS H H 28 7.170 7.170 7.639 -0.469 18531 9788 1 38 . 1 1 29 29 ALA N N 29 122.000 122.000 121.918 0.082 18531 9789 1 38 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.084 0.006 18531 9790 1 38 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.588 0.112 18531 9791 1 38 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.219 -0.719 18531 9792 1 38 . 1 1 29 29 ALA H H 29 7.200 7.200 7.180 0.020 18531 9793 1 38 . 1 1 30 30 PHE N N 30 119.600 119.600 118.727 0.873 18531 9794 1 38 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.173 0.607 18531 9795 1 38 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.972 -4.372 18531 9796 1 38 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.572 -1.172 18531 9797 1 38 . 1 1 30 30 PHE H H 30 8.610 8.610 8.534 0.076 18531 9798 1 38 . 1 1 31 31 LYS N N 31 122.800 122.800 118.745 4.055 18531 9799 1 38 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.466 0.624 18531 9800 1 38 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.395 0.305 18531 9801 1 38 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.952 -0.352 18531 9802 1 38 . 1 1 31 31 LYS H H 31 9.030 9.030 8.153 0.877 18531 9803 1 38 . 1 1 32 32 GLN N N 32 119.600 119.600 118.758 0.842 18531 9804 1 38 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.999 0.031 18531 9805 1 38 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.440 -0.740 18531 9806 1 38 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.339 -0.239 18531 9807 1 38 . 1 1 32 32 GLN H H 32 7.510 7.510 7.630 -0.120 18531 9808 1 38 . 1 1 33 33 TYR N N 33 120.400 120.400 120.551 -0.151 18531 9809 1 38 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.063 0.187 18531 9810 1 38 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.283 0.517 18531 9811 1 38 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.154 0.546 18531 9812 1 38 . 1 1 33 33 TYR H H 33 8.080 8.080 7.640 0.440 18531 9813 1 38 . 1 1 34 34 ALA N N 34 122.300 122.300 120.463 1.837 18531 9814 1 38 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.881 -0.101 18531 9815 1 38 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.462 0.638 18531 9816 1 38 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.396 -0.696 18531 9817 1 38 . 1 1 34 34 ALA H H 34 9.210 9.210 7.970 1.240 18531 9818 1 38 . 1 1 35 35 ASN N N 35 117.700 117.700 117.061 0.639 18531 9819 1 38 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.434 0.026 18531 9820 1 38 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.044 0.956 18531 9821 1 38 . 1 1 35 35 ASN CB C 35 39.000 39.000 37.957 1.043 18531 9822 1 38 . 1 1 35 35 ASN H H 35 8.390 8.390 8.126 0.264 18531 9823 1 38 . 1 1 36 36 ASP N N 36 121.100 121.100 119.695 1.405 18531 9824 1 38 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.443 -0.083 18531 9825 1 38 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.395 0.305 18531 9826 1 38 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.626 -0.626 18531 9827 1 38 . 1 1 36 36 ASP H H 36 8.830 8.830 8.582 0.248 18531 9828 1 38 . 1 1 37 37 ASN N N 37 115.200 115.200 114.673 0.527 18531 9829 1 38 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531 9830 1 38 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.534 0.166 18531 9831 1 38 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.739 0.261 18531 9832 1 38 . 1 1 37 37 ASN H H 37 7.390 7.390 7.902 -0.512 18531 9833 1 38 . 1 1 38 38 GLY N N 38 108.200 108.200 107.287 0.913 18531 9834 1 38 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.479 0.921 18531 9835 1 38 . 1 1 38 38 GLY H H 38 7.800 7.800 8.070 -0.270 18531 9836 1 38 . 1 1 39 39 VAL N N 39 120.800 120.800 121.362 -0.562 18531 9837 1 38 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.300 -0.160 18531 9838 1 38 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.271 -0.571 18531 9839 1 38 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.756 0.544 18531 9840 1 38 . 1 1 39 39 VAL H H 39 8.120 8.120 7.882 0.238 18531 9841 1 38 . 1 1 40 40 ASP N N 40 128.000 128.000 124.963 3.037 18531 9842 1 38 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.927 -0.037 18531 9843 1 38 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.206 -0.406 18531 9844 1 38 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.760 -0.660 18531 9845 1 38 . 1 1 40 40 ASP H H 40 8.770 8.770 7.953 0.817 18531 9846 1 38 . 1 1 41 41 GLY N N 41 107.100 107.100 109.071 -1.971 18531 9847 1 38 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.124 0.276 18531 9848 1 38 . 1 1 41 41 GLY H H 41 7.910 7.910 8.484 -0.574 18531 9849 1 38 . 1 1 42 42 VAL N N 42 120.300 120.300 122.580 -2.280 18531 9850 1 38 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.487 -0.107 18531 9851 1 38 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.697 0.403 18531 9852 1 38 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.935 0.465 18531 9853 1 38 . 1 1 42 42 VAL H H 42 8.250 8.250 8.190 0.060 18531 9854 1 38 . 1 1 43 43 TRP N N 43 130.700 130.700 129.031 1.669 18531 9855 1 38 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.718 -0.358 18531 9856 1 38 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.734 1.866 18531 9857 1 38 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.133 -1.933 18531 9858 1 38 . 1 1 43 43 TRP H H 43 9.360 9.360 8.570 0.790 18531 9859 1 38 . 1 1 44 44 THR N N 44 114.500 114.500 112.769 1.731 18531 9860 1 38 . 1 1 44 44 THR HA H 44 4.830 4.830 4.806 0.024 18531 9861 1 38 . 1 1 44 44 THR CA C 44 60.300 60.300 60.496 -0.196 18531 9862 1 38 . 1 1 44 44 THR CB C 44 72.100 72.100 71.570 0.530 18531 9863 1 38 . 1 1 44 44 THR H H 44 9.400 9.400 8.824 0.576 18531 9864 1 38 . 1 1 45 45 TYR N N 45 120.100 120.100 122.141 -2.041 18531 9865 1 38 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.633 0.337 18531 9866 1 38 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.444 -0.445 18531 9867 1 38 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.911 -0.311 18531 9868 1 38 . 1 1 45 45 TYR H H 45 8.580 8.580 8.483 0.097 18531 9869 1 38 . 1 1 46 46 ASP N N 46 128.300 128.300 127.966 0.334 18531 9870 1 38 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.528 0.052 18531 9871 1 38 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.899 0.001 18531 9872 1 38 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.882 1.218 18531 9873 1 38 . 1 1 46 46 ASP H H 46 7.580 7.580 7.860 -0.280 18531 9874 1 38 . 1 1 47 47 ASP N N 47 124.800 124.800 125.649 -0.849 18531 9875 1 38 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.227 -0.117 18531 9876 1 38 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.364 0.137 18531 9877 1 38 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.503 1.597 18531 9878 1 38 . 1 1 47 47 ASP H H 47 8.590 8.590 7.989 0.601 18531 9879 1 38 . 1 1 48 48 ALA N N 48 119.700 119.700 122.519 -2.819 18531 9880 1 38 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.042 0.048 18531 9881 1 38 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.503 0.497 18531 9882 1 38 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.750 -0.450 18531 9883 1 38 . 1 1 48 48 ALA H H 48 8.340 8.340 7.668 0.672 18531 9884 1 38 . 1 1 49 49 THR N N 49 103.200 103.200 106.870 -3.670 18531 9885 1 38 . 1 1 49 49 THR HA H 49 4.390 4.390 4.534 -0.144 18531 9886 1 38 . 1 1 49 49 THR CA C 49 60.200 60.200 60.515 -0.315 18531 9887 1 38 . 1 1 49 49 THR CB C 49 70.000 70.000 69.430 0.570 18531 9888 1 38 . 1 1 49 49 THR H H 49 7.000 7.000 7.708 -0.708 18531 9889 1 38 . 1 1 50 50 LYS N N 50 123.100 123.100 119.957 3.143 18531 9890 1 38 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.969 0.221 18531 9891 1 38 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.551 -0.951 18531 9892 1 38 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.896 -1.296 18531 9893 1 38 . 1 1 50 50 LYS H H 50 7.860 7.860 7.817 0.043 18531 9894 1 38 . 1 1 51 51 THR N N 51 111.200 111.200 114.012 -2.812 18531 9895 1 38 . 1 1 51 51 THR HA H 51 5.490 5.490 5.246 0.244 18531 9896 1 38 . 1 1 51 51 THR CA C 51 62.300 62.300 61.789 0.511 18531 9897 1 38 . 1 1 51 51 THR CB C 51 72.100 72.100 71.916 0.184 18531 9898 1 38 . 1 1 51 51 THR H H 51 7.390 7.390 7.279 0.111 18531 9899 1 38 . 1 1 52 52 PHE N N 52 131.000 131.000 125.010 5.990 18531 9900 1 38 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.034 0.596 18531 9901 1 38 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.298 1.002 18531 9902 1 38 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.513 1.087 18531 9903 1 38 . 1 1 52 52 PHE H H 52 10.390 10.390 9.217 1.173 18531 9904 1 38 . 1 1 53 53 THR N N 53 117.400 117.400 115.247 2.153 18531 9905 1 38 . 1 1 53 53 THR HA H 53 5.270 5.270 4.465 0.805 18531 9906 1 38 . 1 1 53 53 THR CA C 53 61.200 61.200 61.820 -0.620 18531 9907 1 38 . 1 1 53 53 THR CB C 53 71.000 71.000 70.820 0.179 18531 9908 1 38 . 1 1 53 53 THR H H 53 9.180 9.180 8.456 0.724 18531 9909 1 38 . 1 1 54 54 VAL N N 54 123.000 123.000 126.611 -3.611 18531 9910 1 38 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.025 0.435 18531 9911 1 38 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.933 -0.833 18531 9912 1 38 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.328 -1.028 18531 9913 1 38 . 1 1 54 54 VAL H H 54 8.280 8.280 7.672 0.608 18531 9914 1 38 . 1 1 55 55 THR N N 55 123.900 123.900 122.869 1.031 18531 9915 1 38 . 1 1 55 55 THR HA H 55 4.700 4.700 4.707 -0.007 18531 9916 1 38 . 1 1 55 55 THR CA C 55 61.200 61.200 59.760 1.440 18531 9917 1 38 . 1 1 55 55 THR CB C 55 70.700 70.700 70.673 0.027 18531 9918 1 38 . 1 1 55 55 THR H H 55 8.320 8.320 7.895 0.425 18531 9919 1 39 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.760 0.290 18531 9920 1 39 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.287 0.313 18531 9921 1 39 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.096 -0.396 18531 9922 1 39 . 1 1 2 2 GLN H H 2 8.410 8.410 8.287 0.123 18531 9923 1 39 . 1 1 3 3 TYR N N 3 124.000 124.000 123.945 0.055 18531 9924 1 39 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.886 0.474 18531 9925 1 39 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.543 -0.443 18531 9926 1 39 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.544 3.056 18531 9927 1 39 . 1 1 3 3 TYR H H 3 9.070 9.070 9.016 0.054 18531 9928 1 39 . 1 1 4 4 LYS N N 4 122.500 122.500 123.447 -0.947 18531 9929 1 39 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.774 0.446 18531 9930 1 39 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.893 0.107 18531 9931 1 39 . 1 1 4 4 LYS CB C 4 36.000 36.000 33.862 2.138 18531 9932 1 39 . 1 1 4 4 LYS H H 4 9.100 9.100 8.872 0.228 18531 9933 1 39 . 1 1 5 5 LEU N N 5 126.400 126.400 130.222 -3.822 18531 9934 1 39 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.358 -0.388 18531 9935 1 39 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.620 -0.820 18531 9936 1 39 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.787 -2.187 18531 9937 1 39 . 1 1 5 5 LEU H H 5 8.620 8.620 8.894 -0.274 18531 9938 1 39 . 1 1 6 6 VAL N N 6 127.000 127.000 128.244 -1.244 18531 9939 1 39 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.317 -0.157 18531 9940 1 39 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.391 0.909 18531 9941 1 39 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.791 -0.091 18531 9942 1 39 . 1 1 6 6 VAL H H 6 9.190 9.190 9.237 -0.047 18531 9943 1 39 . 1 1 7 7 ILE N N 7 125.400 125.400 128.936 -3.536 18531 9944 1 39 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.296 -0.206 18531 9945 1 39 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.774 -0.074 18531 9946 1 39 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.807 0.193 18531 9947 1 39 . 1 1 7 7 ILE H H 7 8.800 8.800 7.970 0.830 18531 9948 1 39 . 1 1 8 8 ASN N N 8 128.900 128.900 126.822 2.078 18531 9949 1 39 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.028 0.252 18531 9950 1 39 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.359 -1.559 18531 9951 1 39 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.395 -1.295 18531 9952 1 39 . 1 1 8 8 ASN H H 8 8.990 8.990 8.833 0.157 18531 9953 1 39 . 1 1 9 9 GLY N N 9 110.200 110.200 108.878 1.322 18531 9954 1 39 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.167 0.533 18531 9955 1 39 . 1 1 9 9 GLY H H 9 7.920 7.920 8.391 -0.471 18531 9956 1 39 . 1 1 10 10 LYS N N 10 120.700 120.700 122.161 -1.461 18531 9957 1 39 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.015 0.045 18531 9958 1 39 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.391 -0.191 18531 9959 1 39 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.271 0.629 18531 9960 1 39 . 1 1 10 10 LYS H H 10 9.520 9.520 8.766 0.754 18531 9961 1 39 . 1 1 11 11 THR N N 11 108.900 108.900 109.217 -0.317 18531 9962 1 39 . 1 1 11 11 THR HA H 11 4.360 4.360 4.348 0.012 18531 9963 1 39 . 1 1 11 11 THR CA C 11 62.000 62.000 63.111 -1.111 18531 9964 1 39 . 1 1 11 11 THR CB C 11 69.800 69.800 68.945 0.855 18531 9965 1 39 . 1 1 11 11 THR H H 11 8.790 8.790 7.728 1.062 18531 9966 1 39 . 1 1 12 12 LEU N N 12 125.700 125.700 123.792 1.908 18531 9967 1 39 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.593 -0.153 18531 9968 1 39 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.195 0.805 18531 9969 1 39 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.635 -0.335 18531 9970 1 39 . 1 1 12 12 LEU H H 12 7.580 7.580 7.755 -0.175 18531 9971 1 39 . 1 1 13 13 LYS N N 13 123.500 123.500 126.048 -2.548 18531 9972 1 39 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.809 0.311 18531 9973 1 39 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.540 -1.640 18531 9974 1 39 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.513 0.287 18531 9975 1 39 . 1 1 13 13 LYS H H 13 8.140 8.140 8.580 -0.440 18531 9976 1 39 . 1 1 14 14 GLY N N 14 109.100 109.100 111.763 -2.663 18531 9977 1 39 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.014 0.186 18531 9978 1 39 . 1 1 14 14 GLY H H 14 8.340 8.340 8.314 0.026 18531 9979 1 39 . 1 1 15 15 GLU N N 15 118.200 118.200 118.472 -0.272 18531 9980 1 39 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.156 0.444 18531 9981 1 39 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.876 -1.376 18531 9982 1 39 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.186 0.614 18531 9983 1 39 . 1 1 15 15 GLU H H 15 8.390 8.390 8.493 -0.103 18531 9984 1 39 . 1 1 16 16 THR N N 16 115.600 115.600 113.522 2.078 18531 9985 1 39 . 1 1 16 16 THR HA H 16 4.730 4.730 4.592 0.138 18531 9986 1 39 . 1 1 16 16 THR CA C 16 60.600 60.600 61.751 -1.151 18531 9987 1 39 . 1 1 16 16 THR CB C 16 69.500 69.500 70.320 -0.820 18531 9988 1 39 . 1 1 16 16 THR H H 16 8.820 8.820 8.440 0.380 18531 9989 1 39 . 1 1 17 17 THR N N 17 111.800 111.800 114.896 -3.096 18531 9990 1 39 . 1 1 17 17 THR HA H 17 5.790 5.790 5.282 0.508 18531 9991 1 39 . 1 1 17 17 THR CA C 17 59.800 59.800 60.762 -0.962 18531 9992 1 39 . 1 1 17 17 THR CB C 17 73.100 73.100 72.007 1.093 18531 9993 1 39 . 1 1 17 17 THR H H 17 8.140 8.140 8.304 -0.164 18531 9994 1 39 . 1 1 18 18 THR N N 18 115.100 115.100 114.677 0.423 18531 9995 1 39 . 1 1 18 18 THR HA H 18 4.640 4.640 4.523 0.117 18531 9996 1 39 . 1 1 18 18 THR CA C 18 61.900 61.900 61.126 0.774 18531 9997 1 39 . 1 1 18 18 THR CB C 18 70.000 70.000 69.474 0.526 18531 9998 1 39 . 1 1 18 18 THR H H 18 8.930 8.930 8.422 0.508 18531 9999 1 39 . 1 1 19 19 LYS N N 19 124.300 124.300 127.582 -3.282 18531 10000 1 39 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.973 0.357 18531 10001 1 39 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.403 -0.403 18531 10002 1 39 . 1 1 19 19 LYS CB C 19 33.800 33.800 32.786 1.014 18531 10003 1 39 . 1 1 19 19 LYS H H 19 7.950 7.950 8.309 -0.359 18531 10004 1 39 . 1 1 20 20 ALA N N 20 124.600 124.600 128.412 -3.812 18531 10005 1 39 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.586 0.194 18531 10006 1 39 . 1 1 20 20 ALA CA C 20 50.900 50.900 50.846 0.054 18531 10007 1 39 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.359 2.441 18531 10008 1 39 . 1 1 20 20 ALA H H 20 9.110 9.110 8.231 0.879 18531 10009 1 39 . 1 1 21 21 VAL N N 21 115.300 115.300 115.554 -0.254 18531 10010 1 39 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.802 0.308 18531 10011 1 39 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.262 -0.962 18531 10012 1 39 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.654 0.546 18531 10013 1 39 . 1 1 21 21 VAL H H 21 8.480 8.480 8.508 -0.028 18531 10014 1 39 . 1 1 22 22 ASP N N 22 115.200 115.200 114.404 0.796 18531 10015 1 39 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.015 -0.305 18531 10016 1 39 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.730 -0.330 18531 10017 1 39 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.040 0.160 18531 10018 1 39 . 1 1 22 22 ASP H H 22 7.310 7.310 7.558 -0.248 18531 10019 1 39 . 1 1 23 23 ALA N N 23 121.000 121.000 121.778 -0.778 18531 10020 1 39 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.771 -0.431 18531 10021 1 39 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.008 -0.108 18531 10022 1 39 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.443 -0.943 18531 10023 1 39 . 1 1 23 23 ALA H H 23 8.370 8.370 8.693 -0.323 18531 10024 1 39 . 1 1 24 24 GLU N N 24 118.900 118.900 119.179 -0.279 18531 10025 1 39 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.916 -0.056 18531 10026 1 39 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.017 0.683 18531 10027 1 39 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.261 0.840 18531 10028 1 39 . 1 1 24 24 GLU H H 24 8.410 8.410 8.804 -0.394 18531 10029 1 39 . 1 1 25 25 THR N N 25 117.400 117.400 116.421 0.979 18531 10030 1 39 . 1 1 25 25 THR HA H 25 3.670 3.670 4.070 -0.400 18531 10031 1 39 . 1 1 25 25 THR CA C 25 66.800 66.800 65.337 1.463 18531 10032 1 39 . 1 1 25 25 THR CB C 25 68.000 68.000 68.858 -0.858 18531 10033 1 39 . 1 1 25 25 THR H H 25 8.380 8.380 7.557 0.823 18531 10034 1 39 . 1 1 26 26 ALA N N 26 125.100 125.100 124.360 0.740 18531 10035 1 39 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.638 -0.448 18531 10036 1 39 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.598 0.402 18531 10037 1 39 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.532 -0.232 18531 10038 1 39 . 1 1 26 26 ALA H H 26 7.220 7.220 7.440 -0.220 18531 10039 1 39 . 1 1 27 27 GLU N N 27 117.400 117.400 118.083 -0.683 18531 10040 1 39 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.840 -1.250 18531 10041 1 39 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.863 -0.163 18531 10042 1 39 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.428 -0.228 18531 10043 1 39 . 1 1 27 27 GLU H H 27 8.370 8.370 8.519 -0.149 18531 10044 1 39 . 1 1 28 28 LYS N N 28 116.300 116.300 118.391 -2.091 18531 10045 1 39 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.977 -0.307 18531 10046 1 39 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.075 0.525 18531 10047 1 39 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.616 0.584 18531 10048 1 39 . 1 1 28 28 LYS H H 28 7.170 7.170 7.559 -0.389 18531 10049 1 39 . 1 1 29 29 ALA N N 29 122.000 122.000 121.363 0.637 18531 10050 1 39 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.132 -0.042 18531 10051 1 39 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.402 0.298 18531 10052 1 39 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.162 -0.662 18531 10053 1 39 . 1 1 29 29 ALA H H 29 7.200 7.200 7.132 0.068 18531 10054 1 39 . 1 1 30 30 PHE N N 30 119.600 119.600 118.550 1.050 18531 10055 1 39 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.267 0.513 18531 10056 1 39 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.420 -3.820 18531 10057 1 39 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.562 -1.162 18531 10058 1 39 . 1 1 30 30 PHE H H 30 8.610 8.610 8.230 0.380 18531 10059 1 39 . 1 1 31 31 LYS N N 31 122.800 122.800 118.853 3.947 18531 10060 1 39 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.954 0.136 18531 10061 1 39 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.482 0.218 18531 10062 1 39 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.570 0.030 18531 10063 1 39 . 1 1 31 31 LYS H H 31 9.030 9.030 8.661 0.369 18531 10064 1 39 . 1 1 32 32 GLN N N 32 119.600 119.600 118.204 1.396 18531 10065 1 39 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.043 -0.013 18531 10066 1 39 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.305 -0.605 18531 10067 1 39 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.395 -0.295 18531 10068 1 39 . 1 1 32 32 GLN H H 32 7.510 7.510 7.811 -0.301 18531 10069 1 39 . 1 1 33 33 TYR N N 33 120.400 120.400 121.179 -0.779 18531 10070 1 39 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.304 -0.054 18531 10071 1 39 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.033 0.767 18531 10072 1 39 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.329 0.371 18531 10073 1 39 . 1 1 33 33 TYR H H 33 8.080 8.080 7.893 0.187 18531 10074 1 39 . 1 1 34 34 ALA N N 34 122.300 122.300 120.856 1.444 18531 10075 1 39 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.863 -0.083 18531 10076 1 39 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.386 0.714 18531 10077 1 39 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.300 -0.600 18531 10078 1 39 . 1 1 34 34 ALA H H 34 9.210 9.210 8.289 0.921 18531 10079 1 39 . 1 1 35 35 ASN N N 35 117.700 117.700 117.298 0.402 18531 10080 1 39 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.511 -0.051 18531 10081 1 39 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.944 1.056 18531 10082 1 39 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.067 0.933 18531 10083 1 39 . 1 1 35 35 ASN H H 35 8.390 8.390 8.333 0.057 18531 10084 1 39 . 1 1 36 36 ASP N N 36 121.100 121.100 120.594 0.506 18531 10085 1 39 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.395 -0.035 18531 10086 1 39 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.711 -0.011 18531 10087 1 39 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.057 -0.057 18531 10088 1 39 . 1 1 36 36 ASP H H 36 8.830 8.830 8.266 0.564 18531 10089 1 39 . 1 1 37 37 ASN N N 37 115.200 115.200 114.835 0.365 18531 10090 1 39 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.705 -0.095 18531 10091 1 39 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.438 0.262 18531 10092 1 39 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.187 0.813 18531 10093 1 39 . 1 1 37 37 ASN H H 37 7.390 7.390 7.858 -0.468 18531 10094 1 39 . 1 1 38 38 GLY N N 38 108.200 108.200 107.421 0.779 18531 10095 1 39 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.631 0.769 18531 10096 1 39 . 1 1 38 38 GLY H H 38 7.800 7.800 7.937 -0.137 18531 10097 1 39 . 1 1 39 39 VAL N N 39 120.800 120.800 120.510 0.290 18531 10098 1 39 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.306 -0.166 18531 10099 1 39 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.769 -0.069 18531 10100 1 39 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.611 0.689 18531 10101 1 39 . 1 1 39 39 VAL H H 39 8.120 8.120 8.093 0.027 18531 10102 1 39 . 1 1 40 40 ASP N N 40 128.000 128.000 128.543 -0.543 18531 10103 1 39 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.049 -0.159 18531 10104 1 39 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.800 0.000 18531 10105 1 39 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.820 -1.720 18531 10106 1 39 . 1 1 40 40 ASP H H 40 8.770 8.770 8.120 0.650 18531 10107 1 39 . 1 1 41 41 GLY N N 41 107.100 107.100 108.908 -1.808 18531 10108 1 39 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.535 -0.135 18531 10109 1 39 . 1 1 41 41 GLY H H 41 7.910 7.910 8.346 -0.436 18531 10110 1 39 . 1 1 42 42 VAL N N 42 120.300 120.300 122.705 -2.405 18531 10111 1 39 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.541 -0.161 18531 10112 1 39 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.352 0.748 18531 10113 1 39 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.770 0.630 18531 10114 1 39 . 1 1 42 42 VAL H H 42 8.250 8.250 8.165 0.085 18531 10115 1 39 . 1 1 43 43 TRP N N 43 130.700 130.700 127.995 2.705 18531 10116 1 39 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.445 -0.085 18531 10117 1 39 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.519 2.081 18531 10118 1 39 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.171 -1.971 18531 10119 1 39 . 1 1 43 43 TRP H H 43 9.360 9.360 8.656 0.704 18531 10120 1 39 . 1 1 44 44 THR N N 44 114.500 114.500 117.285 -2.785 18531 10121 1 39 . 1 1 44 44 THR HA H 44 4.830 4.830 4.597 0.233 18531 10122 1 39 . 1 1 44 44 THR CA C 44 60.300 60.300 61.624 -1.324 18531 10123 1 39 . 1 1 44 44 THR CB C 44 72.100 72.100 70.430 1.670 18531 10124 1 39 . 1 1 44 44 THR H H 44 9.400 9.400 8.556 0.844 18531 10125 1 39 . 1 1 45 45 TYR N N 45 120.100 120.100 128.347 -8.247 18531 10126 1 39 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.542 0.428 18531 10127 1 39 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.296 1.704 18531 10128 1 39 . 1 1 45 45 TYR CB C 45 41.600 41.600 39.785 1.815 18531 10129 1 39 . 1 1 45 45 TYR H H 45 8.580 8.580 8.682 -0.102 18531 10130 1 39 . 1 1 46 46 ASP N N 46 128.300 128.300 129.424 -1.124 18531 10131 1 39 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.534 0.046 18531 10132 1 39 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.968 -0.068 18531 10133 1 39 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.432 1.668 18531 10134 1 39 . 1 1 46 46 ASP H H 46 7.580 7.580 8.054 -0.474 18531 10135 1 39 . 1 1 47 47 ASP N N 47 124.800 124.800 124.906 -0.106 18531 10136 1 39 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.311 -0.201 18531 10137 1 39 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.910 -0.410 18531 10138 1 39 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.335 1.765 18531 10139 1 39 . 1 1 47 47 ASP H H 47 8.590 8.590 8.114 0.476 18531 10140 1 39 . 1 1 48 48 ALA N N 48 119.700 119.700 122.471 -2.771 18531 10141 1 39 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.071 0.019 18531 10142 1 39 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.291 0.709 18531 10143 1 39 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.976 -0.676 18531 10144 1 39 . 1 1 48 48 ALA H H 48 8.340 8.340 7.788 0.552 18531 10145 1 39 . 1 1 49 49 THR N N 49 103.200 103.200 110.393 -7.193 18531 10146 1 39 . 1 1 49 49 THR HA H 49 4.390 4.390 4.465 -0.075 18531 10147 1 39 . 1 1 49 49 THR CA C 49 60.200 60.200 61.159 -0.959 18531 10148 1 39 . 1 1 49 49 THR CB C 49 70.000 70.000 68.582 1.418 18531 10149 1 39 . 1 1 49 49 THR H H 49 7.000 7.000 7.922 -0.922 18531 10150 1 39 . 1 1 50 50 LYS N N 50 123.100 123.100 121.882 1.218 18531 10151 1 39 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.050 0.140 18531 10152 1 39 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.721 -1.121 18531 10153 1 39 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.584 -1.984 18531 10154 1 39 . 1 1 50 50 LYS H H 50 7.860 7.860 7.690 0.170 18531 10155 1 39 . 1 1 51 51 THR N N 51 111.200 111.200 114.774 -3.574 18531 10156 1 39 . 1 1 51 51 THR HA H 51 5.490 5.490 5.211 0.279 18531 10157 1 39 . 1 1 51 51 THR CA C 51 62.300 62.300 62.468 -0.168 18531 10158 1 39 . 1 1 51 51 THR CB C 51 72.100 72.100 70.491 1.609 18531 10159 1 39 . 1 1 51 51 THR H H 51 7.390 7.390 7.464 -0.074 18531 10160 1 39 . 1 1 52 52 PHE N N 52 131.000 131.000 126.931 4.069 18531 10161 1 39 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.555 0.075 18531 10162 1 39 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.318 0.982 18531 10163 1 39 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.707 -0.107 18531 10164 1 39 . 1 1 52 52 PHE H H 52 10.390 10.390 9.602 0.788 18531 10165 1 39 . 1 1 53 53 THR N N 53 117.400 117.400 119.482 -2.082 18531 10166 1 39 . 1 1 53 53 THR HA H 53 5.270 5.270 5.156 0.114 18531 10167 1 39 . 1 1 53 53 THR CA C 53 61.200 61.200 60.733 0.467 18531 10168 1 39 . 1 1 53 53 THR CB C 53 71.000 71.000 70.754 0.246 18531 10169 1 39 . 1 1 53 53 THR H H 53 9.180 9.180 8.624 0.556 18531 10170 1 39 . 1 1 54 54 VAL N N 54 123.000 123.000 123.280 -0.280 18531 10171 1 39 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.773 0.687 18531 10172 1 39 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.926 -2.826 18531 10173 1 39 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.648 -1.348 18531 10174 1 39 . 1 1 54 54 VAL H H 54 8.280 8.280 8.297 -0.017 18531 10175 1 39 . 1 1 55 55 THR N N 55 123.900 123.900 121.157 2.743 18531 10176 1 39 . 1 1 55 55 THR HA H 55 4.700 4.700 4.718 -0.018 18531 10177 1 39 . 1 1 55 55 THR CA C 55 61.200 61.200 59.950 1.250 18531 10178 1 39 . 1 1 55 55 THR CB C 55 70.700 70.700 70.720 -0.020 18531 10179 1 39 . 1 1 55 55 THR H H 55 8.320 8.320 7.858 0.462 18531 10180 1 40 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.537 0.513 18531 10181 1 40 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.631 0.969 18531 10182 1 40 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.095 0.605 18531 10183 1 40 . 1 1 2 2 GLN H H 2 8.410 8.410 8.109 0.301 18531 10184 1 40 . 1 1 3 3 TYR N N 3 124.000 124.000 123.370 0.630 18531 10185 1 40 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.175 0.185 18531 10186 1 40 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.019 0.081 18531 10187 1 40 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.229 1.371 18531 10188 1 40 . 1 1 3 3 TYR H H 3 9.070 9.070 9.058 0.012 18531 10189 1 40 . 1 1 4 4 LYS N N 4 122.500 122.500 121.622 0.878 18531 10190 1 40 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.211 0.009 18531 10191 1 40 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.307 -0.307 18531 10192 1 40 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.799 -0.799 18531 10193 1 40 . 1 1 4 4 LYS H H 4 9.100 9.100 8.571 0.529 18531 10194 1 40 . 1 1 5 5 LEU N N 5 126.400 126.400 125.374 1.026 18531 10195 1 40 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.747 0.223 18531 10196 1 40 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.274 -0.474 18531 10197 1 40 . 1 1 5 5 LEU CB C 5 42.600 42.600 46.670 -4.070 18531 10198 1 40 . 1 1 5 5 LEU H H 5 8.620 8.620 9.141 -0.521 18531 10199 1 40 . 1 1 6 6 VAL N N 6 127.000 127.000 124.870 2.130 18531 10200 1 40 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.316 -0.156 18531 10201 1 40 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.642 0.659 18531 10202 1 40 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.130 -0.430 18531 10203 1 40 . 1 1 6 6 VAL H H 6 9.190 9.190 8.161 1.029 18531 10204 1 40 . 1 1 7 7 ILE N N 7 125.400 125.400 129.306 -3.906 18531 10205 1 40 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.053 0.037 18531 10206 1 40 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.321 -0.621 18531 10207 1 40 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.089 0.911 18531 10208 1 40 . 1 1 7 7 ILE H H 7 8.800 8.800 8.816 -0.016 18531 10209 1 40 . 1 1 8 8 ASN N N 8 128.900 128.900 127.559 1.341 18531 10210 1 40 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.000 0.280 18531 10211 1 40 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.319 -1.519 18531 10212 1 40 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.877 -0.777 18531 10213 1 40 . 1 1 8 8 ASN H H 8 8.990 8.990 8.025 0.965 18531 10214 1 40 . 1 1 9 9 GLY N N 9 110.200 110.200 107.420 2.780 18531 10215 1 40 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.245 0.455 18531 10216 1 40 . 1 1 9 9 GLY H H 9 7.920 7.920 8.321 -0.401 18531 10217 1 40 . 1 1 10 10 LYS N N 10 120.700 120.700 122.967 -2.267 18531 10218 1 40 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.071 -0.011 18531 10219 1 40 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.841 0.359 18531 10220 1 40 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.587 0.313 18531 10221 1 40 . 1 1 10 10 LYS H H 10 9.520 9.520 8.774 0.746 18531 10222 1 40 . 1 1 11 11 THR N N 11 108.900 108.900 107.910 0.990 18531 10223 1 40 . 1 1 11 11 THR HA H 11 4.360 4.360 4.392 -0.032 18531 10224 1 40 . 1 1 11 11 THR CA C 11 62.000 62.000 62.366 -0.366 18531 10225 1 40 . 1 1 11 11 THR CB C 11 69.800 69.800 70.121 -0.321 18531 10226 1 40 . 1 1 11 11 THR H H 11 8.790 8.790 7.632 1.158 18531 10227 1 40 . 1 1 12 12 LEU N N 12 125.700 125.700 123.987 1.713 18531 10228 1 40 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.593 -0.153 18531 10229 1 40 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.249 0.751 18531 10230 1 40 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.408 -0.109 18531 10231 1 40 . 1 1 12 12 LEU H H 12 7.580 7.580 7.978 -0.398 18531 10232 1 40 . 1 1 13 13 LYS N N 13 123.500 123.500 126.182 -2.682 18531 10233 1 40 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.092 0.028 18531 10234 1 40 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.283 -1.383 18531 10235 1 40 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.063 -0.263 18531 10236 1 40 . 1 1 13 13 LYS H H 13 8.140 8.140 8.536 -0.396 18531 10237 1 40 . 1 1 14 14 GLY N N 14 109.100 109.100 112.152 -3.052 18531 10238 1 40 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.846 -0.646 18531 10239 1 40 . 1 1 14 14 GLY H H 14 8.340 8.340 8.796 -0.456 18531 10240 1 40 . 1 1 15 15 GLU N N 15 118.200 118.200 118.344 -0.144 18531 10241 1 40 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.106 0.494 18531 10242 1 40 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.528 -1.028 18531 10243 1 40 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.524 0.276 18531 10244 1 40 . 1 1 15 15 GLU H H 15 8.390 8.390 8.528 -0.138 18531 10245 1 40 . 1 1 16 16 THR N N 16 115.600 115.600 113.877 1.723 18531 10246 1 40 . 1 1 16 16 THR HA H 16 4.730 4.730 4.681 0.049 18531 10247 1 40 . 1 1 16 16 THR CA C 16 60.600 60.600 62.053 -1.453 18531 10248 1 40 . 1 1 16 16 THR CB C 16 69.500 69.500 70.492 -0.992 18531 10249 1 40 . 1 1 16 16 THR H H 16 8.820 8.820 8.439 0.381 18531 10250 1 40 . 1 1 17 17 THR N N 17 111.800 111.800 114.258 -2.458 18531 10251 1 40 . 1 1 17 17 THR HA H 17 5.790 5.790 5.322 0.468 18531 10252 1 40 . 1 1 17 17 THR CA C 17 59.800 59.800 60.696 -0.896 18531 10253 1 40 . 1 1 17 17 THR CB C 17 73.100 73.100 72.442 0.658 18531 10254 1 40 . 1 1 17 17 THR H H 17 8.140 8.140 8.170 -0.030 18531 10255 1 40 . 1 1 18 18 THR N N 18 115.100 115.100 117.060 -1.960 18531 10256 1 40 . 1 1 18 18 THR HA H 18 4.640 4.640 4.410 0.230 18531 10257 1 40 . 1 1 18 18 THR CA C 18 61.900 61.900 62.176 -0.276 18531 10258 1 40 . 1 1 18 18 THR CB C 18 70.000 70.000 71.606 -1.606 18531 10259 1 40 . 1 1 18 18 THR H H 18 8.930 8.930 8.994 -0.064 18531 10260 1 40 . 1 1 19 19 LYS N N 19 124.300 124.300 128.668 -4.368 18531 10261 1 40 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.956 0.374 18531 10262 1 40 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.449 -0.449 18531 10263 1 40 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.413 0.387 18531 10264 1 40 . 1 1 19 19 LYS H H 19 7.950 7.950 8.582 -0.632 18531 10265 1 40 . 1 1 20 20 ALA N N 20 124.600 124.600 128.683 -4.083 18531 10266 1 40 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.659 0.121 18531 10267 1 40 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.125 -0.225 18531 10268 1 40 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.492 2.308 18531 10269 1 40 . 1 1 20 20 ALA H H 20 9.110 9.110 8.120 0.990 18531 10270 1 40 . 1 1 21 21 VAL N N 21 115.300 115.300 119.555 -4.255 18531 10271 1 40 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.874 0.236 18531 10272 1 40 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.064 -0.764 18531 10273 1 40 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.995 0.205 18531 10274 1 40 . 1 1 21 21 VAL H H 21 8.480 8.480 8.460 0.020 18531 10275 1 40 . 1 1 22 22 ASP N N 22 115.200 115.200 115.967 -0.767 18531 10276 1 40 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.913 -0.203 18531 10277 1 40 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.783 -0.383 18531 10278 1 40 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.751 -0.551 18531 10279 1 40 . 1 1 22 22 ASP H H 22 7.310 7.310 7.656 -0.346 18531 10280 1 40 . 1 1 23 23 ALA N N 23 121.000 121.000 123.494 -2.494 18531 10281 1 40 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.578 -0.238 18531 10282 1 40 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.079 -0.179 18531 10283 1 40 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.579 -1.079 18531 10284 1 40 . 1 1 23 23 ALA H H 23 8.370 8.370 8.608 -0.238 18531 10285 1 40 . 1 1 24 24 GLU N N 24 118.900 118.900 116.127 2.773 18531 10286 1 40 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531 10287 1 40 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.040 0.660 18531 10288 1 40 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.875 0.225 18531 10289 1 40 . 1 1 24 24 GLU H H 24 8.410 8.410 8.151 0.259 18531 10290 1 40 . 1 1 25 25 THR N N 25 117.400 117.400 115.735 1.665 18531 10291 1 40 . 1 1 25 25 THR HA H 25 3.670 3.670 4.117 -0.447 18531 10292 1 40 . 1 1 25 25 THR CA C 25 66.800 66.800 65.737 1.063 18531 10293 1 40 . 1 1 25 25 THR CB C 25 68.000 68.000 68.231 -0.231 18531 10294 1 40 . 1 1 25 25 THR H H 25 8.380 8.380 7.854 0.526 18531 10295 1 40 . 1 1 26 26 ALA N N 26 125.100 125.100 123.996 1.104 18531 10296 1 40 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.945 -0.755 18531 10297 1 40 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.384 0.616 18531 10298 1 40 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.058 -0.758 18531 10299 1 40 . 1 1 26 26 ALA H H 26 7.220 7.220 7.332 -0.112 18531 10300 1 40 . 1 1 27 27 GLU N N 27 117.400 117.400 119.237 -1.837 18531 10301 1 40 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.654 -1.064 18531 10302 1 40 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.991 -0.291 18531 10303 1 40 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.152 0.048 18531 10304 1 40 . 1 1 27 27 GLU H H 27 8.370 8.370 7.879 0.491 18531 10305 1 40 . 1 1 28 28 LYS N N 28 116.300 116.300 117.908 -1.608 18531 10306 1 40 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.877 -0.207 18531 10307 1 40 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.413 0.188 18531 10308 1 40 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.083 0.117 18531 10309 1 40 . 1 1 28 28 LYS H H 28 7.170 7.170 7.627 -0.457 18531 10310 1 40 . 1 1 29 29 ALA N N 29 122.000 122.000 122.097 -0.097 18531 10311 1 40 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.194 -0.104 18531 10312 1 40 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.511 0.189 18531 10313 1 40 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.226 -0.726 18531 10314 1 40 . 1 1 29 29 ALA H H 29 7.200 7.200 7.470 -0.270 18531 10315 1 40 . 1 1 30 30 PHE N N 30 119.600 119.600 118.934 0.666 18531 10316 1 40 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.157 0.623 18531 10317 1 40 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.791 -4.191 18531 10318 1 40 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.457 -1.057 18531 10319 1 40 . 1 1 30 30 PHE H H 30 8.610 8.610 8.410 0.200 18531 10320 1 40 . 1 1 31 31 LYS N N 31 122.800 122.800 117.506 5.294 18531 10321 1 40 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.542 0.548 18531 10322 1 40 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.179 0.520 18531 10323 1 40 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.727 -0.127 18531 10324 1 40 . 1 1 31 31 LYS H H 31 9.030 9.030 8.322 0.708 18531 10325 1 40 . 1 1 32 32 GLN N N 32 119.600 119.600 119.258 0.342 18531 10326 1 40 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.025 0.005 18531 10327 1 40 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.923 -1.223 18531 10328 1 40 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.073 0.027 18531 10329 1 40 . 1 1 32 32 GLN H H 32 7.510 7.510 7.518 -0.008 18531 10330 1 40 . 1 1 33 33 TYR N N 33 120.400 120.400 118.250 2.150 18531 10331 1 40 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.325 -0.075 18531 10332 1 40 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.608 1.192 18531 10333 1 40 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.248 0.452 18531 10334 1 40 . 1 1 33 33 TYR H H 33 8.080 8.080 7.890 0.190 18531 10335 1 40 . 1 1 34 34 ALA N N 34 122.300 122.300 122.575 -0.275 18531 10336 1 40 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.107 -0.327 18531 10337 1 40 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.136 0.964 18531 10338 1 40 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.690 -0.990 18531 10339 1 40 . 1 1 34 34 ALA H H 34 9.210 9.210 8.034 1.176 18531 10340 1 40 . 1 1 35 35 ASN N N 35 117.700 117.700 117.442 0.258 18531 10341 1 40 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.458 0.002 18531 10342 1 40 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.864 1.136 18531 10343 1 40 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.039 0.961 18531 10344 1 40 . 1 1 35 35 ASN H H 35 8.390 8.390 8.156 0.234 18531 10345 1 40 . 1 1 36 36 ASP N N 36 121.100 121.100 120.704 0.396 18531 10346 1 40 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.418 -0.058 18531 10347 1 40 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.778 -0.078 18531 10348 1 40 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.127 -0.127 18531 10349 1 40 . 1 1 36 36 ASP H H 36 8.830 8.830 8.451 0.379 18531 10350 1 40 . 1 1 37 37 ASN N N 37 115.200 115.200 114.419 0.781 18531 10351 1 40 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.736 -0.126 18531 10352 1 40 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.178 0.522 18531 10353 1 40 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.364 0.636 18531 10354 1 40 . 1 1 37 37 ASN H H 37 7.390 7.390 7.483 -0.093 18531 10355 1 40 . 1 1 38 38 GLY N N 38 108.200 108.200 107.322 0.878 18531 10356 1 40 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.662 0.738 18531 10357 1 40 . 1 1 38 38 GLY H H 38 7.800 7.800 7.999 -0.199 18531 10358 1 40 . 1 1 39 39 VAL N N 39 120.800 120.800 122.319 -1.519 18531 10359 1 40 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.135 0.005 18531 10360 1 40 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.514 -0.813 18531 10361 1 40 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.361 1.939 18531 10362 1 40 . 1 1 39 39 VAL H H 39 8.120 8.120 7.935 0.185 18531 10363 1 40 . 1 1 40 40 ASP N N 40 128.000 128.000 127.549 0.451 18531 10364 1 40 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.092 -0.202 18531 10365 1 40 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.896 -0.096 18531 10366 1 40 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.654 -1.554 18531 10367 1 40 . 1 1 40 40 ASP H H 40 8.770 8.770 8.258 0.512 18531 10368 1 40 . 1 1 41 41 GLY N N 41 107.100 107.100 108.305 -1.205 18531 10369 1 40 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.308 0.092 18531 10370 1 40 . 1 1 41 41 GLY H H 41 7.910 7.910 8.322 -0.412 18531 10371 1 40 . 1 1 42 42 VAL N N 42 120.300 120.300 119.499 0.801 18531 10372 1 40 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.664 -0.284 18531 10373 1 40 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.813 0.287 18531 10374 1 40 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.995 0.405 18531 10375 1 40 . 1 1 42 42 VAL H H 42 8.250 8.250 8.135 0.115 18531 10376 1 40 . 1 1 43 43 TRP N N 43 130.700 130.700 126.884 3.816 18531 10377 1 40 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.760 -0.400 18531 10378 1 40 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.024 1.576 18531 10379 1 40 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.639 -2.439 18531 10380 1 40 . 1 1 43 43 TRP H H 43 9.360 9.360 8.487 0.873 18531 10381 1 40 . 1 1 44 44 THR N N 44 114.500 114.500 114.533 -0.033 18531 10382 1 40 . 1 1 44 44 THR HA H 44 4.830 4.830 4.750 0.080 18531 10383 1 40 . 1 1 44 44 THR CA C 44 60.300 60.300 61.024 -0.724 18531 10384 1 40 . 1 1 44 44 THR CB C 44 72.100 72.100 71.714 0.386 18531 10385 1 40 . 1 1 44 44 THR H H 44 9.400 9.400 8.558 0.842 18531 10386 1 40 . 1 1 45 45 TYR N N 45 120.100 120.100 124.327 -4.227 18531 10387 1 40 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.596 0.374 18531 10388 1 40 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.569 0.431 18531 10389 1 40 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.927 0.673 18531 10390 1 40 . 1 1 45 45 TYR H H 45 8.580 8.580 8.662 -0.082 18531 10391 1 40 . 1 1 46 46 ASP N N 46 128.300 128.300 129.023 -0.723 18531 10392 1 40 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.515 0.065 18531 10393 1 40 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.999 -0.099 18531 10394 1 40 . 1 1 46 46 ASP CB C 46 43.100 43.100 41.629 1.471 18531 10395 1 40 . 1 1 46 46 ASP H H 46 7.580 7.580 7.890 -0.310 18531 10396 1 40 . 1 1 47 47 ASP N N 47 124.800 124.800 125.310 -0.510 18531 10397 1 40 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.329 -0.219 18531 10398 1 40 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.802 -0.302 18531 10399 1 40 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.306 1.794 18531 10400 1 40 . 1 1 47 47 ASP H H 47 8.590 8.590 8.088 0.502 18531 10401 1 40 . 1 1 48 48 ALA N N 48 119.700 119.700 122.294 -2.594 18531 10402 1 40 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.045 0.045 18531 10403 1 40 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.433 0.567 18531 10404 1 40 . 1 1 48 48 ALA CB C 48 18.300 18.300 18.976 -0.676 18531 10405 1 40 . 1 1 48 48 ALA H H 48 8.340 8.340 7.977 0.363 18531 10406 1 40 . 1 1 49 49 THR N N 49 103.200 103.200 106.203 -3.003 18531 10407 1 40 . 1 1 49 49 THR HA H 49 4.390 4.390 4.487 -0.097 18531 10408 1 40 . 1 1 49 49 THR CA C 49 60.200 60.200 60.167 0.033 18531 10409 1 40 . 1 1 49 49 THR CB C 49 70.000 70.000 69.151 0.849 18531 10410 1 40 . 1 1 49 49 THR H H 49 7.000 7.000 7.816 -0.816 18531 10411 1 40 . 1 1 50 50 LYS N N 50 123.100 123.100 120.072 3.028 18531 10412 1 40 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.930 0.260 18531 10413 1 40 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.452 -0.852 18531 10414 1 40 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.255 -0.655 18531 10415 1 40 . 1 1 50 50 LYS H H 50 7.860 7.860 7.952 -0.092 18531 10416 1 40 . 1 1 51 51 THR N N 51 111.200 111.200 114.009 -2.809 18531 10417 1 40 . 1 1 51 51 THR HA H 51 5.490 5.490 5.120 0.370 18531 10418 1 40 . 1 1 51 51 THR CA C 51 62.300 62.300 61.787 0.513 18531 10419 1 40 . 1 1 51 51 THR CB C 51 72.100 72.100 72.346 -0.246 18531 10420 1 40 . 1 1 51 51 THR H H 51 7.390 7.390 7.260 0.130 18531 10421 1 40 . 1 1 52 52 PHE N N 52 131.000 131.000 125.426 5.574 18531 10422 1 40 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.525 0.105 18531 10423 1 40 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.689 1.611 18531 10424 1 40 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.954 0.646 18531 10425 1 40 . 1 1 52 52 PHE H H 52 10.390 10.390 8.636 1.754 18531 10426 1 40 . 1 1 53 53 THR N N 53 117.400 117.400 115.423 1.977 18531 10427 1 40 . 1 1 53 53 THR HA H 53 5.270 5.270 4.451 0.819 18531 10428 1 40 . 1 1 53 53 THR CA C 53 61.200 61.200 62.010 -0.810 18531 10429 1 40 . 1 1 53 53 THR CB C 53 71.000 71.000 70.812 0.188 18531 10430 1 40 . 1 1 53 53 THR H H 53 9.180 9.180 8.448 0.732 18531 10431 1 40 . 1 1 54 54 VAL N N 54 123.000 123.000 127.384 -4.384 18531 10432 1 40 . 1 1 54 54 VAL HA H 54 4.460 4.460 3.866 0.594 18531 10433 1 40 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.166 -1.066 18531 10434 1 40 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.356 -1.056 18531 10435 1 40 . 1 1 54 54 VAL H H 54 8.280 8.280 7.649 0.631 18531 10436 1 40 . 1 1 55 55 THR N N 55 123.900 123.900 122.960 0.940 18531 10437 1 40 . 1 1 55 55 THR HA H 55 4.700 4.700 4.704 -0.004 18531 10438 1 40 . 1 1 55 55 THR CA C 55 61.200 61.200 60.090 1.109 18531 10439 1 40 . 1 1 55 55 THR CB C 55 70.700 70.700 70.982 -0.282 18531 10440 1 40 . 1 1 55 55 THR H H 55 8.320 8.320 7.745 0.575 18531 10441 1 41 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.192 -0.142 18531 10442 1 41 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.920 -0.320 18531 10443 1 41 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.778 -1.078 18531 10444 1 41 . 1 1 2 2 GLN H H 2 8.410 8.410 8.079 0.331 18531 10445 1 41 . 1 1 3 3 TYR N N 3 124.000 124.000 123.086 0.914 18531 10446 1 41 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.973 0.387 18531 10447 1 41 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.381 0.719 18531 10448 1 41 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.642 0.959 18531 10449 1 41 . 1 1 3 3 TYR H H 3 9.070 9.070 9.548 -0.478 18531 10450 1 41 . 1 1 4 4 LYS N N 4 122.500 122.500 122.558 -0.058 18531 10451 1 41 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531 10452 1 41 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.866 0.134 18531 10453 1 41 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.620 0.380 18531 10454 1 41 . 1 1 4 4 LYS H H 4 9.100 9.100 8.685 0.415 18531 10455 1 41 . 1 1 5 5 LEU N N 5 126.400 126.400 128.781 -2.381 18531 10456 1 41 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.833 0.137 18531 10457 1 41 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.318 -0.518 18531 10458 1 41 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.858 -0.258 18531 10459 1 41 . 1 1 5 5 LEU H H 5 8.620 8.620 8.446 0.174 18531 10460 1 41 . 1 1 6 6 VAL N N 6 127.000 127.000 128.935 -1.935 18531 10461 1 41 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.207 -0.047 18531 10462 1 41 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.786 0.514 18531 10463 1 41 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.427 0.273 18531 10464 1 41 . 1 1 6 6 VAL H H 6 9.190 9.190 9.144 0.046 18531 10465 1 41 . 1 1 7 7 ILE N N 7 125.400 125.400 128.214 -2.814 18531 10466 1 41 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.508 -0.418 18531 10467 1 41 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.301 0.399 18531 10468 1 41 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.935 -0.935 18531 10469 1 41 . 1 1 7 7 ILE H H 7 8.800 8.800 7.721 1.079 18531 10470 1 41 . 1 1 8 8 ASN N N 8 128.900 128.900 123.970 4.930 18531 10471 1 41 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.986 0.294 18531 10472 1 41 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.642 -1.842 18531 10473 1 41 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.957 -1.857 18531 10474 1 41 . 1 1 8 8 ASN H H 8 8.990 8.990 8.770 0.220 18531 10475 1 41 . 1 1 9 9 GLY N N 9 110.200 110.200 108.203 1.997 18531 10476 1 41 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.633 1.067 18531 10477 1 41 . 1 1 9 9 GLY H H 9 7.920 7.920 8.327 -0.407 18531 10478 1 41 . 1 1 10 10 LYS N N 10 120.700 120.700 120.559 0.141 18531 10479 1 41 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.254 -0.194 18531 10480 1 41 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.761 0.438 18531 10481 1 41 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.570 0.330 18531 10482 1 41 . 1 1 10 10 LYS H H 10 9.520 9.520 8.617 0.903 18531 10483 1 41 . 1 1 11 11 THR N N 11 108.900 108.900 111.266 -2.366 18531 10484 1 41 . 1 1 11 11 THR HA H 11 4.360 4.360 4.420 -0.060 18531 10485 1 41 . 1 1 11 11 THR CA C 11 62.000 62.000 61.607 0.393 18531 10486 1 41 . 1 1 11 11 THR CB C 11 69.800 69.800 69.696 0.104 18531 10487 1 41 . 1 1 11 11 THR H H 11 8.790 8.790 8.117 0.673 18531 10488 1 41 . 1 1 12 12 LEU N N 12 125.700 125.700 123.578 2.122 18531 10489 1 41 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.566 -0.126 18531 10490 1 41 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.507 -0.507 18531 10491 1 41 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.868 -1.568 18531 10492 1 41 . 1 1 12 12 LEU H H 12 7.580 7.580 7.522 0.058 18531 10493 1 41 . 1 1 13 13 LYS N N 13 123.500 123.500 124.269 -0.769 18531 10494 1 41 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.653 0.467 18531 10495 1 41 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.246 -2.346 18531 10496 1 41 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.333 1.467 18531 10497 1 41 . 1 1 13 13 LYS H H 13 8.140 8.140 8.533 -0.393 18531 10498 1 41 . 1 1 14 14 GLY N N 14 109.100 109.100 109.043 0.057 18531 10499 1 41 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.388 0.812 18531 10500 1 41 . 1 1 14 14 GLY H H 14 8.340 8.340 8.033 0.307 18531 10501 1 41 . 1 1 15 15 GLU N N 15 118.200 118.200 120.314 -2.114 18531 10502 1 41 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.138 0.462 18531 10503 1 41 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.458 -0.958 18531 10504 1 41 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.929 0.871 18531 10505 1 41 . 1 1 15 15 GLU H H 15 8.390 8.390 8.466 -0.076 18531 10506 1 41 . 1 1 16 16 THR N N 16 115.600 115.600 120.222 -4.622 18531 10507 1 41 . 1 1 16 16 THR HA H 16 4.730 4.730 4.549 0.181 18531 10508 1 41 . 1 1 16 16 THR CA C 16 60.600 60.600 61.518 -0.918 18531 10509 1 41 . 1 1 16 16 THR CB C 16 69.500 69.500 68.771 0.729 18531 10510 1 41 . 1 1 16 16 THR H H 16 8.820 8.820 8.784 0.036 18531 10511 1 41 . 1 1 17 17 THR N N 17 111.800 111.800 118.276 -6.476 18531 10512 1 41 . 1 1 17 17 THR HA H 17 5.790 5.790 5.280 0.510 18531 10513 1 41 . 1 1 17 17 THR CA C 17 59.800 59.800 60.379 -0.579 18531 10514 1 41 . 1 1 17 17 THR CB C 17 73.100 73.100 70.745 2.355 18531 10515 1 41 . 1 1 17 17 THR H H 17 8.140 8.140 8.578 -0.438 18531 10516 1 41 . 1 1 18 18 THR N N 18 115.100 115.100 117.579 -2.479 18531 10517 1 41 . 1 1 18 18 THR HA H 18 4.640 4.640 4.755 -0.115 18531 10518 1 41 . 1 1 18 18 THR CA C 18 61.900 61.900 60.877 1.023 18531 10519 1 41 . 1 1 18 18 THR CB C 18 70.000 70.000 69.900 0.100 18531 10520 1 41 . 1 1 18 18 THR H H 18 8.930 8.930 9.422 -0.492 18531 10521 1 41 . 1 1 19 19 LYS N N 19 124.300 124.300 119.072 5.228 18531 10522 1 41 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.908 0.422 18531 10523 1 41 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.328 -0.328 18531 10524 1 41 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.720 -0.920 18531 10525 1 41 . 1 1 19 19 LYS H H 19 7.950 7.950 8.315 -0.365 18531 10526 1 41 . 1 1 20 20 ALA N N 20 124.600 124.600 122.792 1.808 18531 10527 1 41 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.479 0.301 18531 10528 1 41 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.517 -0.618 18531 10529 1 41 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.582 2.218 18531 10530 1 41 . 1 1 20 20 ALA H H 20 9.110 9.110 7.947 1.163 18531 10531 1 41 . 1 1 21 21 VAL N N 21 115.300 115.300 116.554 -1.254 18531 10532 1 41 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.981 0.129 18531 10533 1 41 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.819 -1.519 18531 10534 1 41 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.596 0.604 18531 10535 1 41 . 1 1 21 21 VAL H H 21 8.480 8.480 8.284 0.196 18531 10536 1 41 . 1 1 22 22 ASP N N 22 115.200 115.200 114.382 0.818 18531 10537 1 41 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.877 -0.167 18531 10538 1 41 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.500 -0.100 18531 10539 1 41 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.378 -0.178 18531 10540 1 41 . 1 1 22 22 ASP H H 22 7.310 7.310 7.629 -0.319 18531 10541 1 41 . 1 1 23 23 ALA N N 23 121.000 121.000 122.922 -1.922 18531 10542 1 41 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.371 -0.031 18531 10543 1 41 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.260 -0.360 18531 10544 1 41 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.622 -1.122 18531 10545 1 41 . 1 1 23 23 ALA H H 23 8.370 8.370 8.725 -0.355 18531 10546 1 41 . 1 1 24 24 GLU N N 24 118.900 118.900 117.902 0.998 18531 10547 1 41 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.869 -0.009 18531 10548 1 41 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.325 0.375 18531 10549 1 41 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.027 0.073 18531 10550 1 41 . 1 1 24 24 GLU H H 24 8.410 8.410 8.584 -0.174 18531 10551 1 41 . 1 1 25 25 THR N N 25 117.400 117.400 114.977 2.423 18531 10552 1 41 . 1 1 25 25 THR HA H 25 3.670 3.670 4.042 -0.372 18531 10553 1 41 . 1 1 25 25 THR CA C 25 66.800 66.800 65.944 0.856 18531 10554 1 41 . 1 1 25 25 THR CB C 25 68.000 68.000 68.903 -0.904 18531 10555 1 41 . 1 1 25 25 THR H H 25 8.380 8.380 7.987 0.393 18531 10556 1 41 . 1 1 26 26 ALA N N 26 125.100 125.100 124.418 0.682 18531 10557 1 41 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.397 -0.207 18531 10558 1 41 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.639 0.361 18531 10559 1 41 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.267 0.033 18531 10560 1 41 . 1 1 26 26 ALA H H 26 7.220 7.220 7.388 -0.168 18531 10561 1 41 . 1 1 27 27 GLU N N 27 117.400 117.400 118.396 -0.996 18531 10562 1 41 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.782 -1.192 18531 10563 1 41 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.849 -0.149 18531 10564 1 41 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.398 -0.198 18531 10565 1 41 . 1 1 27 27 GLU H H 27 8.370 8.370 8.348 0.022 18531 10566 1 41 . 1 1 28 28 LYS N N 28 116.300 116.300 119.242 -2.942 18531 10567 1 41 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.813 -0.143 18531 10568 1 41 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.337 0.264 18531 10569 1 41 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.985 0.215 18531 10570 1 41 . 1 1 28 28 LYS H H 28 7.170 7.170 7.643 -0.473 18531 10571 1 41 . 1 1 29 29 ALA N N 29 122.000 122.000 122.163 -0.163 18531 10572 1 41 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.009 0.081 18531 10573 1 41 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.797 -0.097 18531 10574 1 41 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.010 -0.510 18531 10575 1 41 . 1 1 29 29 ALA H H 29 7.200 7.200 7.394 -0.194 18531 10576 1 41 . 1 1 30 30 PHE N N 30 119.600 119.600 117.143 2.457 18531 10577 1 41 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.344 0.436 18531 10578 1 41 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.716 -3.116 18531 10579 1 41 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.453 -1.053 18531 10580 1 41 . 1 1 30 30 PHE H H 30 8.610 8.610 7.895 0.715 18531 10581 1 41 . 1 1 31 31 LYS N N 31 122.800 122.800 120.088 2.712 18531 10582 1 41 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.171 -0.081 18531 10583 1 41 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.306 -0.606 18531 10584 1 41 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.710 -0.110 18531 10585 1 41 . 1 1 31 31 LYS H H 31 9.030 9.030 8.689 0.341 18531 10586 1 41 . 1 1 32 32 GLN N N 32 119.600 119.600 117.212 2.388 18531 10587 1 41 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.099 -0.069 18531 10588 1 41 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.727 -0.027 18531 10589 1 41 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.781 -0.681 18531 10590 1 41 . 1 1 32 32 GLN H H 32 7.510 7.510 8.053 -0.543 18531 10591 1 41 . 1 1 33 33 TYR N N 33 120.400 120.400 120.858 -0.458 18531 10592 1 41 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.300 -0.050 18531 10593 1 41 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.280 0.520 18531 10594 1 41 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.818 -0.118 18531 10595 1 41 . 1 1 33 33 TYR H H 33 8.080 8.080 8.043 0.037 18531 10596 1 41 . 1 1 34 34 ALA N N 34 122.300 122.300 121.589 0.711 18531 10597 1 41 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.976 -0.196 18531 10598 1 41 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.463 0.637 18531 10599 1 41 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.540 -0.840 18531 10600 1 41 . 1 1 34 34 ALA H H 34 9.210 9.210 8.601 0.609 18531 10601 1 41 . 1 1 35 35 ASN N N 35 117.700 117.700 116.566 1.134 18531 10602 1 41 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.664 -0.204 18531 10603 1 41 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.583 1.417 18531 10604 1 41 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.325 0.675 18531 10605 1 41 . 1 1 35 35 ASN H H 35 8.390 8.390 8.569 -0.179 18531 10606 1 41 . 1 1 36 36 ASP N N 36 121.100 121.100 119.345 1.755 18531 10607 1 41 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.610 -0.250 18531 10608 1 41 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.801 0.899 18531 10609 1 41 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.084 -1.084 18531 10610 1 41 . 1 1 36 36 ASP H H 36 8.830 8.830 7.778 1.052 18531 10611 1 41 . 1 1 37 37 ASN N N 37 115.200 115.200 116.972 -1.772 18531 10612 1 41 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.814 -0.204 18531 10613 1 41 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.521 1.179 18531 10614 1 41 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.853 1.147 18531 10615 1 41 . 1 1 37 37 ASN H H 37 7.390 7.390 7.619 -0.229 18531 10616 1 41 . 1 1 38 38 GLY N N 38 108.200 108.200 107.944 0.256 18531 10617 1 41 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.155 0.245 18531 10618 1 41 . 1 1 38 38 GLY H H 38 7.800 7.800 7.721 0.079 18531 10619 1 41 . 1 1 39 39 VAL N N 39 120.800 120.800 119.537 1.263 18531 10620 1 41 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.313 -0.173 18531 10621 1 41 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.199 0.501 18531 10622 1 41 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.482 -1.182 18531 10623 1 41 . 1 1 39 39 VAL H H 39 8.120 8.120 7.770 0.350 18531 10624 1 41 . 1 1 40 40 ASP N N 40 128.000 128.000 125.830 2.170 18531 10625 1 41 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.807 0.083 18531 10626 1 41 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.032 -1.232 18531 10627 1 41 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.955 -0.855 18531 10628 1 41 . 1 1 40 40 ASP H H 40 8.770 8.770 8.422 0.348 18531 10629 1 41 . 1 1 41 41 GLY N N 41 107.100 107.100 111.161 -4.061 18531 10630 1 41 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.702 -0.302 18531 10631 1 41 . 1 1 41 41 GLY H H 41 7.910 7.910 8.050 -0.140 18531 10632 1 41 . 1 1 42 42 VAL N N 42 120.300 120.300 119.603 0.697 18531 10633 1 41 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.392 -0.012 18531 10634 1 41 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.207 0.893 18531 10635 1 41 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.444 -0.044 18531 10636 1 41 . 1 1 42 42 VAL H H 42 8.250 8.250 8.530 -0.280 18531 10637 1 41 . 1 1 43 43 TRP N N 43 130.700 130.700 122.553 8.147 18531 10638 1 41 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.298 0.062 18531 10639 1 41 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.198 1.402 18531 10640 1 41 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.017 -0.817 18531 10641 1 41 . 1 1 43 43 TRP H H 43 9.360 9.360 8.625 0.735 18531 10642 1 41 . 1 1 44 44 THR N N 44 114.500 114.500 119.531 -5.031 18531 10643 1 41 . 1 1 44 44 THR HA H 44 4.830 4.830 4.731 0.099 18531 10644 1 41 . 1 1 44 44 THR CA C 44 60.300 60.300 61.249 -0.949 18531 10645 1 41 . 1 1 44 44 THR CB C 44 72.100 72.100 69.055 3.045 18531 10646 1 41 . 1 1 44 44 THR H H 44 9.400 9.400 8.493 0.907 18531 10647 1 41 . 1 1 45 45 TYR N N 45 120.100 120.100 127.321 -7.221 18531 10648 1 41 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.255 -0.285 18531 10649 1 41 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.825 2.175 18531 10650 1 41 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.484 1.116 18531 10651 1 41 . 1 1 45 45 TYR H H 45 8.580 8.580 8.283 0.297 18531 10652 1 41 . 1 1 46 46 ASP N N 46 128.300 128.300 123.953 4.347 18531 10653 1 41 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.447 0.133 18531 10654 1 41 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.599 0.302 18531 10655 1 41 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.883 -0.783 18531 10656 1 41 . 1 1 46 46 ASP H H 46 7.580 7.580 8.122 -0.542 18531 10657 1 41 . 1 1 47 47 ASP N N 47 124.800 124.800 123.842 0.958 18531 10658 1 41 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.789 -0.679 18531 10659 1 41 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.812 1.688 18531 10660 1 41 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.617 1.483 18531 10661 1 41 . 1 1 47 47 ASP H H 47 8.590 8.590 8.552 0.038 18531 10662 1 41 . 1 1 48 48 ALA N N 48 119.700 119.700 122.038 -2.338 18531 10663 1 41 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.495 -0.405 18531 10664 1 41 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.521 1.479 18531 10665 1 41 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.401 -2.101 18531 10666 1 41 . 1 1 48 48 ALA H H 48 8.340 8.340 7.812 0.528 18531 10667 1 41 . 1 1 49 49 THR N N 49 103.200 103.200 113.769 -10.569 18531 10668 1 41 . 1 1 49 49 THR HA H 49 4.390 4.390 4.546 -0.156 18531 10669 1 41 . 1 1 49 49 THR CA C 49 60.200 60.200 61.054 -0.854 18531 10670 1 41 . 1 1 49 49 THR CB C 49 70.000 70.000 68.585 1.415 18531 10671 1 41 . 1 1 49 49 THR H H 49 7.000 7.000 8.215 -1.215 18531 10672 1 41 . 1 1 50 50 LYS N N 50 123.100 123.100 121.569 1.531 18531 10673 1 41 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.233 -0.043 18531 10674 1 41 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.718 -1.118 18531 10675 1 41 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.387 -1.787 18531 10676 1 41 . 1 1 50 50 LYS H H 50 7.860 7.860 8.194 -0.334 18531 10677 1 41 . 1 1 51 51 THR N N 51 111.200 111.200 115.122 -3.922 18531 10678 1 41 . 1 1 51 51 THR HA H 51 5.490 5.490 4.702 0.788 18531 10679 1 41 . 1 1 51 51 THR CA C 51 62.300 62.300 62.322 -0.022 18531 10680 1 41 . 1 1 51 51 THR CB C 51 72.100 72.100 70.202 1.898 18531 10681 1 41 . 1 1 51 51 THR H H 51 7.390 7.390 7.657 -0.267 18531 10682 1 41 . 1 1 52 52 PHE N N 52 131.000 131.000 129.103 1.897 18531 10683 1 41 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.062 0.568 18531 10684 1 41 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.822 0.478 18531 10685 1 41 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.654 1.946 18531 10686 1 41 . 1 1 52 52 PHE H H 52 10.390 10.390 9.135 1.255 18531 10687 1 41 . 1 1 53 53 THR N N 53 117.400 117.400 121.439 -4.039 18531 10688 1 41 . 1 1 53 53 THR HA H 53 5.270 5.270 5.130 0.140 18531 10689 1 41 . 1 1 53 53 THR CA C 53 61.200 61.200 61.206 -0.007 18531 10690 1 41 . 1 1 53 53 THR CB C 53 71.000 71.000 70.136 0.864 18531 10691 1 41 . 1 1 53 53 THR H H 53 9.180 9.180 9.155 0.025 18531 10692 1 41 . 1 1 54 54 VAL N N 54 123.000 123.000 126.194 -3.194 18531 10693 1 41 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.267 0.193 18531 10694 1 41 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.860 -2.760 18531 10695 1 41 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.597 -0.297 18531 10696 1 41 . 1 1 54 54 VAL H H 54 8.280 8.280 9.028 -0.748 18531 10697 1 41 . 1 1 55 55 THR N N 55 123.900 123.900 122.283 1.617 18531 10698 1 41 . 1 1 55 55 THR HA H 55 4.700 4.700 4.401 0.299 18531 10699 1 41 . 1 1 55 55 THR CA C 55 61.200 61.200 60.610 0.590 18531 10700 1 41 . 1 1 55 55 THR CB C 55 70.700 70.700 69.659 1.041 18531 10701 1 41 . 1 1 55 55 THR H H 55 8.320 8.320 8.432 -0.112 18531 10702 1 42 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.927 0.123 18531 10703 1 42 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.060 0.539 18531 10704 1 42 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.980 -1.280 18531 10705 1 42 . 1 1 2 2 GLN H H 2 8.410 8.410 7.926 0.484 18531 10706 1 42 . 1 1 3 3 TYR N N 3 124.000 124.000 121.988 2.012 18531 10707 1 42 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.990 0.370 18531 10708 1 42 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.251 0.849 18531 10709 1 42 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.518 1.082 18531 10710 1 42 . 1 1 3 3 TYR H H 3 9.070 9.070 9.178 -0.108 18531 10711 1 42 . 1 1 4 4 LYS N N 4 122.500 122.500 121.374 1.126 18531 10712 1 42 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.853 0.367 18531 10713 1 42 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.990 0.010 18531 10714 1 42 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.305 -0.305 18531 10715 1 42 . 1 1 4 4 LYS H H 4 9.100 9.100 8.996 0.104 18531 10716 1 42 . 1 1 5 5 LEU N N 5 126.400 126.400 128.330 -1.930 18531 10717 1 42 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.954 0.016 18531 10718 1 42 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.109 -0.309 18531 10719 1 42 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.822 -1.222 18531 10720 1 42 . 1 1 5 5 LEU H H 5 8.620 8.620 8.616 0.004 18531 10721 1 42 . 1 1 6 6 VAL N N 6 127.000 127.000 127.034 -0.034 18531 10722 1 42 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.623 -0.463 18531 10723 1 42 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.128 1.172 18531 10724 1 42 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.905 -1.205 18531 10725 1 42 . 1 1 6 6 VAL H H 6 9.190 9.190 8.962 0.228 18531 10726 1 42 . 1 1 7 7 ILE N N 7 125.400 125.400 124.509 0.891 18531 10727 1 42 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.264 -0.174 18531 10728 1 42 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.571 0.130 18531 10729 1 42 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.913 1.087 18531 10730 1 42 . 1 1 7 7 ILE H H 7 8.800 8.800 8.173 0.627 18531 10731 1 42 . 1 1 8 8 ASN N N 8 128.900 128.900 125.463 3.437 18531 10732 1 42 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.905 0.375 18531 10733 1 42 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.260 -1.460 18531 10734 1 42 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.999 -0.900 18531 10735 1 42 . 1 1 8 8 ASN H H 8 8.990 8.990 8.128 0.862 18531 10736 1 42 . 1 1 9 9 GLY N N 9 110.200 110.200 108.352 1.848 18531 10737 1 42 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.810 -0.110 18531 10738 1 42 . 1 1 9 9 GLY H H 9 7.920 7.920 7.554 0.366 18531 10739 1 42 . 1 1 10 10 LYS N N 10 120.700 120.700 120.164 0.536 18531 10740 1 42 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.229 -0.169 18531 10741 1 42 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.931 0.269 18531 10742 1 42 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.907 -0.007 18531 10743 1 42 . 1 1 10 10 LYS H H 10 9.520 9.520 8.569 0.951 18531 10744 1 42 . 1 1 11 11 THR N N 11 108.900 108.900 113.186 -4.286 18531 10745 1 42 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.070 18531 10746 1 42 . 1 1 11 11 THR CA C 11 62.000 62.000 61.955 0.045 18531 10747 1 42 . 1 1 11 11 THR CB C 11 69.800 69.800 68.824 0.976 18531 10748 1 42 . 1 1 11 11 THR H H 11 8.790 8.790 8.202 0.588 18531 10749 1 42 . 1 1 12 12 LEU N N 12 125.700 125.700 124.576 1.124 18531 10750 1 42 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.563 -0.123 18531 10751 1 42 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.112 -0.112 18531 10752 1 42 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.100 -0.800 18531 10753 1 42 . 1 1 12 12 LEU H H 12 7.580 7.580 7.679 -0.099 18531 10754 1 42 . 1 1 13 13 LYS N N 13 123.500 123.500 123.797 -0.297 18531 10755 1 42 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.636 -0.516 18531 10756 1 42 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.613 -0.713 18531 10757 1 42 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.378 -0.578 18531 10758 1 42 . 1 1 13 13 LYS H H 13 8.140 8.140 8.333 -0.193 18531 10759 1 42 . 1 1 14 14 GLY N N 14 109.100 109.100 110.299 -1.199 18531 10760 1 42 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.942 -0.742 18531 10761 1 42 . 1 1 14 14 GLY H H 14 8.340 8.340 8.224 0.116 18531 10762 1 42 . 1 1 15 15 GLU N N 15 118.200 118.200 120.242 -2.042 18531 10763 1 42 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.904 0.696 18531 10764 1 42 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.662 -1.162 18531 10765 1 42 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.070 0.730 18531 10766 1 42 . 1 1 15 15 GLU H H 15 8.390 8.390 8.481 -0.091 18531 10767 1 42 . 1 1 16 16 THR N N 16 115.600 115.600 123.160 -7.560 18531 10768 1 42 . 1 1 16 16 THR HA H 16 4.730 4.730 4.595 0.135 18531 10769 1 42 . 1 1 16 16 THR CA C 16 60.600 60.600 61.382 -0.782 18531 10770 1 42 . 1 1 16 16 THR CB C 16 69.500 69.500 69.302 0.198 18531 10771 1 42 . 1 1 16 16 THR H H 16 8.820 8.820 8.767 0.053 18531 10772 1 42 . 1 1 17 17 THR N N 17 111.800 111.800 119.948 -8.148 18531 10773 1 42 . 1 1 17 17 THR HA H 17 5.790 5.790 5.202 0.588 18531 10774 1 42 . 1 1 17 17 THR CA C 17 59.800 59.800 60.761 -0.961 18531 10775 1 42 . 1 1 17 17 THR CB C 17 73.100 73.100 70.200 2.900 18531 10776 1 42 . 1 1 17 17 THR H H 17 8.140 8.140 8.538 -0.398 18531 10777 1 42 . 1 1 18 18 THR N N 18 115.100 115.100 116.632 -1.532 18531 10778 1 42 . 1 1 18 18 THR HA H 18 4.640 4.640 4.644 -0.004 18531 10779 1 42 . 1 1 18 18 THR CA C 18 61.900 61.900 60.764 1.135 18531 10780 1 42 . 1 1 18 18 THR CB C 18 70.000 70.000 70.485 -0.485 18531 10781 1 42 . 1 1 18 18 THR H H 18 8.930 8.930 9.281 -0.351 18531 10782 1 42 . 1 1 19 19 LYS N N 19 124.300 124.300 119.741 4.559 18531 10783 1 42 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.046 0.284 18531 10784 1 42 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.902 0.098 18531 10785 1 42 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.802 -2.002 18531 10786 1 42 . 1 1 19 19 LYS H H 19 7.950 7.950 8.320 -0.370 18531 10787 1 42 . 1 1 20 20 ALA N N 20 124.600 124.600 124.320 0.280 18531 10788 1 42 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.631 0.149 18531 10789 1 42 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.749 -0.849 18531 10790 1 42 . 1 1 20 20 ALA CB C 20 23.800 23.800 22.088 1.712 18531 10791 1 42 . 1 1 20 20 ALA H H 20 9.110 9.110 8.129 0.981 18531 10792 1 42 . 1 1 21 21 VAL N N 21 115.300 115.300 114.349 0.951 18531 10793 1 42 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.262 -0.152 18531 10794 1 42 . 1 1 21 21 VAL CA C 21 63.300 63.300 63.742 -0.442 18531 10795 1 42 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.590 0.610 18531 10796 1 42 . 1 1 21 21 VAL H H 21 8.480 8.480 8.313 0.167 18531 10797 1 42 . 1 1 22 22 ASP N N 22 115.200 115.200 115.780 -0.580 18531 10798 1 42 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.752 -0.042 18531 10799 1 42 . 1 1 22 22 ASP CA C 22 52.400 52.400 53.741 -1.341 18531 10800 1 42 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.832 0.368 18531 10801 1 42 . 1 1 22 22 ASP H H 22 7.310 7.310 7.682 -0.372 18531 10802 1 42 . 1 1 23 23 ALA N N 23 121.000 121.000 125.130 -4.130 18531 10803 1 42 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.386 -0.046 18531 10804 1 42 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.402 -0.502 18531 10805 1 42 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.423 -0.923 18531 10806 1 42 . 1 1 23 23 ALA H H 23 8.370 8.370 8.852 -0.482 18531 10807 1 42 . 1 1 24 24 GLU N N 24 118.900 118.900 117.639 1.261 18531 10808 1 42 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.896 -0.036 18531 10809 1 42 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.153 0.547 18531 10810 1 42 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.012 0.089 18531 10811 1 42 . 1 1 24 24 GLU H H 24 8.410 8.410 8.779 -0.369 18531 10812 1 42 . 1 1 25 25 THR N N 25 117.400 117.400 115.354 2.046 18531 10813 1 42 . 1 1 25 25 THR HA H 25 3.670 3.670 4.073 -0.403 18531 10814 1 42 . 1 1 25 25 THR CA C 25 66.800 66.800 65.141 1.659 18531 10815 1 42 . 1 1 25 25 THR CB C 25 68.000 68.000 68.709 -0.709 18531 10816 1 42 . 1 1 25 25 THR H H 25 8.380 8.380 7.748 0.632 18531 10817 1 42 . 1 1 26 26 ALA N N 26 125.100 125.100 124.633 0.467 18531 10818 1 42 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.624 -0.434 18531 10819 1 42 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.547 0.453 18531 10820 1 42 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.480 -0.180 18531 10821 1 42 . 1 1 26 26 ALA H H 26 7.220 7.220 8.039 -0.819 18531 10822 1 42 . 1 1 27 27 GLU N N 27 117.400 117.400 118.317 -0.917 18531 10823 1 42 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.715 -1.125 18531 10824 1 42 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.682 0.018 18531 10825 1 42 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.361 -0.161 18531 10826 1 42 . 1 1 27 27 GLU H H 27 8.370 8.370 8.430 -0.060 18531 10827 1 42 . 1 1 28 28 LYS N N 28 116.300 116.300 118.664 -2.364 18531 10828 1 42 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.939 -0.269 18531 10829 1 42 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.023 0.577 18531 10830 1 42 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.138 0.062 18531 10831 1 42 . 1 1 28 28 LYS H H 28 7.170 7.170 7.581 -0.411 18531 10832 1 42 . 1 1 29 29 ALA N N 29 122.000 122.000 121.939 0.061 18531 10833 1 42 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.038 0.052 18531 10834 1 42 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.578 0.122 18531 10835 1 42 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.940 -0.440 18531 10836 1 42 . 1 1 29 29 ALA H H 29 7.200 7.200 7.015 0.185 18531 10837 1 42 . 1 1 30 30 PHE N N 30 119.600 119.600 117.022 2.578 18531 10838 1 42 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.384 0.396 18531 10839 1 42 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.624 -3.024 18531 10840 1 42 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.561 -1.161 18531 10841 1 42 . 1 1 30 30 PHE H H 30 8.610 8.610 7.578 1.032 18531 10842 1 42 . 1 1 31 31 LYS N N 31 122.800 122.800 119.083 3.717 18531 10843 1 42 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.188 -0.098 18531 10844 1 42 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.696 0.004 18531 10845 1 42 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.118 -0.518 18531 10846 1 42 . 1 1 31 31 LYS H H 31 9.030 9.030 8.294 0.736 18531 10847 1 42 . 1 1 32 32 GLN N N 32 119.600 119.600 116.615 2.985 18531 10848 1 42 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.253 -0.223 18531 10849 1 42 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.703 0.997 18531 10850 1 42 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.740 -0.640 18531 10851 1 42 . 1 1 32 32 GLN H H 32 7.510 7.510 7.700 -0.190 18531 10852 1 42 . 1 1 33 33 TYR N N 33 120.400 120.400 121.175 -0.775 18531 10853 1 42 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.342 -0.092 18531 10854 1 42 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.816 0.984 18531 10855 1 42 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.331 -0.631 18531 10856 1 42 . 1 1 33 33 TYR H H 33 8.080 8.080 8.128 -0.048 18531 10857 1 42 . 1 1 34 34 ALA N N 34 122.300 122.300 120.757 1.543 18531 10858 1 42 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.838 -0.058 18531 10859 1 42 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.438 0.662 18531 10860 1 42 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.279 -0.579 18531 10861 1 42 . 1 1 34 34 ALA H H 34 9.210 9.210 8.244 0.966 18531 10862 1 42 . 1 1 35 35 ASN N N 35 117.700 117.700 115.766 1.934 18531 10863 1 42 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.523 -0.063 18531 10864 1 42 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.587 1.413 18531 10865 1 42 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.356 0.644 18531 10866 1 42 . 1 1 35 35 ASN H H 35 8.390 8.390 8.149 0.241 18531 10867 1 42 . 1 1 36 36 ASP N N 36 121.100 121.100 118.778 2.322 18531 10868 1 42 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.684 -0.324 18531 10869 1 42 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.853 1.847 18531 10870 1 42 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.367 -1.367 18531 10871 1 42 . 1 1 36 36 ASP H H 36 8.830 8.830 7.993 0.837 18531 10872 1 42 . 1 1 37 37 ASN N N 37 115.200 115.200 116.898 -1.698 18531 10873 1 42 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531 10874 1 42 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.544 1.156 18531 10875 1 42 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.806 1.194 18531 10876 1 42 . 1 1 37 37 ASN H H 37 7.390 7.390 7.696 -0.306 18531 10877 1 42 . 1 1 38 38 GLY N N 38 108.200 108.200 108.823 -0.623 18531 10878 1 42 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.297 0.103 18531 10879 1 42 . 1 1 38 38 GLY H H 38 7.800 7.800 7.718 0.082 18531 10880 1 42 . 1 1 39 39 VAL N N 39 120.800 120.800 120.221 0.579 18531 10881 1 42 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.608 -0.468 18531 10882 1 42 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.072 0.628 18531 10883 1 42 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.376 -1.076 18531 10884 1 42 . 1 1 39 39 VAL H H 39 8.120 8.120 7.841 0.279 18531 10885 1 42 . 1 1 40 40 ASP N N 40 128.000 128.000 124.843 3.157 18531 10886 1 42 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.886 0.004 18531 10887 1 42 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.874 -1.074 18531 10888 1 42 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.578 -1.478 18531 10889 1 42 . 1 1 40 40 ASP H H 40 8.770 8.770 8.620 0.150 18531 10890 1 42 . 1 1 41 41 GLY N N 41 107.100 107.100 111.897 -4.797 18531 10891 1 42 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.651 -0.251 18531 10892 1 42 . 1 1 41 41 GLY H H 41 7.910 7.910 8.307 -0.397 18531 10893 1 42 . 1 1 42 42 VAL N N 42 120.300 120.300 119.593 0.707 18531 10894 1 42 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.536 -0.156 18531 10895 1 42 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.828 1.272 18531 10896 1 42 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.251 0.149 18531 10897 1 42 . 1 1 42 42 VAL H H 42 8.250 8.250 8.520 -0.270 18531 10898 1 42 . 1 1 43 43 TRP N N 43 130.700 130.700 122.169 8.531 18531 10899 1 42 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.432 -0.072 18531 10900 1 42 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.229 1.371 18531 10901 1 42 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.945 -0.745 18531 10902 1 42 . 1 1 43 43 TRP H H 43 9.360 9.360 8.641 0.719 18531 10903 1 42 . 1 1 44 44 THR N N 44 114.500 114.500 118.797 -4.297 18531 10904 1 42 . 1 1 44 44 THR HA H 44 4.830 4.830 4.531 0.299 18531 10905 1 42 . 1 1 44 44 THR CA C 44 60.300 60.300 61.696 -1.396 18531 10906 1 42 . 1 1 44 44 THR CB C 44 72.100 72.100 69.336 2.764 18531 10907 1 42 . 1 1 44 44 THR H H 44 9.400 9.400 8.266 1.134 18531 10908 1 42 . 1 1 45 45 TYR N N 45 120.100 120.100 128.570 -8.470 18531 10909 1 42 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.885 0.085 18531 10910 1 42 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.209 1.791 18531 10911 1 42 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.835 0.765 18531 10912 1 42 . 1 1 45 45 TYR H H 45 8.580 8.580 8.376 0.204 18531 10913 1 42 . 1 1 46 46 ASP N N 46 128.300 128.300 126.793 1.507 18531 10914 1 42 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.412 0.168 18531 10915 1 42 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.735 0.165 18531 10916 1 42 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.691 -0.591 18531 10917 1 42 . 1 1 46 46 ASP H H 46 7.580 7.580 7.837 -0.257 18531 10918 1 42 . 1 1 47 47 ASP N N 47 124.800 124.800 123.872 0.928 18531 10919 1 42 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.669 -0.559 18531 10920 1 42 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.004 1.496 18531 10921 1 42 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.370 1.730 18531 10922 1 42 . 1 1 47 47 ASP H H 47 8.590 8.590 8.283 0.307 18531 10923 1 42 . 1 1 48 48 ALA N N 48 119.700 119.700 122.534 -2.834 18531 10924 1 42 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.439 -0.349 18531 10925 1 42 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.644 1.356 18531 10926 1 42 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.572 -2.272 18531 10927 1 42 . 1 1 48 48 ALA H H 48 8.340 8.340 7.841 0.499 18531 10928 1 42 . 1 1 49 49 THR N N 49 103.200 103.200 114.102 -10.902 18531 10929 1 42 . 1 1 49 49 THR HA H 49 4.390 4.390 4.400 -0.010 18531 10930 1 42 . 1 1 49 49 THR CA C 49 60.200 60.200 61.552 -1.352 18531 10931 1 42 . 1 1 49 49 THR CB C 49 70.000 70.000 68.538 1.462 18531 10932 1 42 . 1 1 49 49 THR H H 49 7.000 7.000 8.513 -1.513 18531 10933 1 42 . 1 1 50 50 LYS N N 50 123.100 123.100 120.370 2.730 18531 10934 1 42 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.318 -0.128 18531 10935 1 42 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.748 -1.148 18531 10936 1 42 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.506 -1.906 18531 10937 1 42 . 1 1 50 50 LYS H H 50 7.860 7.860 7.976 -0.116 18531 10938 1 42 . 1 1 51 51 THR N N 51 111.200 111.200 115.855 -4.655 18531 10939 1 42 . 1 1 51 51 THR HA H 51 5.490 5.490 4.644 0.846 18531 10940 1 42 . 1 1 51 51 THR CA C 51 62.300 62.300 62.559 -0.259 18531 10941 1 42 . 1 1 51 51 THR CB C 51 72.100 72.100 70.588 1.512 18531 10942 1 42 . 1 1 51 51 THR H H 51 7.390 7.390 7.575 -0.185 18531 10943 1 42 . 1 1 52 52 PHE N N 52 131.000 131.000 127.773 3.227 18531 10944 1 42 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.297 0.333 18531 10945 1 42 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.726 0.574 18531 10946 1 42 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.612 -0.012 18531 10947 1 42 . 1 1 52 52 PHE H H 52 10.390 10.390 8.503 1.887 18531 10948 1 42 . 1 1 53 53 THR N N 53 117.400 117.400 120.367 -2.967 18531 10949 1 42 . 1 1 53 53 THR HA H 53 5.270 5.270 4.916 0.354 18531 10950 1 42 . 1 1 53 53 THR CA C 53 61.200 61.200 61.130 0.070 18531 10951 1 42 . 1 1 53 53 THR CB C 53 71.000 71.000 71.939 -0.939 18531 10952 1 42 . 1 1 53 53 THR H H 53 9.180 9.180 8.309 0.871 18531 10953 1 42 . 1 1 54 54 VAL N N 54 123.000 123.000 124.430 -1.430 18531 10954 1 42 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.255 0.205 18531 10955 1 42 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.255 -2.155 18531 10956 1 42 . 1 1 54 54 VAL CB C 54 32.300 32.300 31.499 0.801 18531 10957 1 42 . 1 1 54 54 VAL H H 54 8.280 8.280 8.122 0.158 18531 10958 1 42 . 1 1 55 55 THR N N 55 123.900 123.900 123.170 0.730 18531 10959 1 42 . 1 1 55 55 THR HA H 55 4.700 4.700 4.691 0.009 18531 10960 1 42 . 1 1 55 55 THR CA C 55 61.200 61.200 60.983 0.217 18531 10961 1 42 . 1 1 55 55 THR CB C 55 70.700 70.700 69.861 0.839 18531 10962 1 42 . 1 1 55 55 THR H H 55 8.320 8.320 7.927 0.393 18531 10963 1 43 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.618 0.432 18531 10964 1 43 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.590 0.010 18531 10965 1 43 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.667 -0.967 18531 10966 1 43 . 1 1 2 2 GLN H H 2 8.410 8.410 7.843 0.567 18531 10967 1 43 . 1 1 3 3 TYR N N 3 124.000 124.000 123.184 0.816 18531 10968 1 43 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.953 0.407 18531 10969 1 43 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.403 0.697 18531 10970 1 43 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.203 1.397 18531 10971 1 43 . 1 1 3 3 TYR H H 3 9.070 9.070 9.316 -0.246 18531 10972 1 43 . 1 1 4 4 LYS N N 4 122.500 122.500 122.881 -0.381 18531 10973 1 43 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.797 0.423 18531 10974 1 43 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.579 0.421 18531 10975 1 43 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.911 0.089 18531 10976 1 43 . 1 1 4 4 LYS H H 4 9.100 9.100 8.487 0.613 18531 10977 1 43 . 1 1 5 5 LEU N N 5 126.400 126.400 128.810 -2.410 18531 10978 1 43 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.021 -0.051 18531 10979 1 43 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.407 -0.607 18531 10980 1 43 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.880 -1.280 18531 10981 1 43 . 1 1 5 5 LEU H H 5 8.620 8.620 8.744 -0.124 18531 10982 1 43 . 1 1 6 6 VAL N N 6 127.000 127.000 127.748 -0.748 18531 10983 1 43 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.293 -0.133 18531 10984 1 43 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.936 1.364 18531 10985 1 43 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.658 0.042 18531 10986 1 43 . 1 1 6 6 VAL H H 6 9.190 9.190 9.176 0.014 18531 10987 1 43 . 1 1 7 7 ILE N N 7 125.400 125.400 128.025 -2.625 18531 10988 1 43 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.475 -0.385 18531 10989 1 43 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.572 0.128 18531 10990 1 43 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.605 -0.605 18531 10991 1 43 . 1 1 7 7 ILE H H 7 8.800 8.800 7.796 1.004 18531 10992 1 43 . 1 1 8 8 ASN N N 8 128.900 128.900 124.948 3.952 18531 10993 1 43 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.988 0.292 18531 10994 1 43 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.553 -1.753 18531 10995 1 43 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.856 -1.756 18531 10996 1 43 . 1 1 8 8 ASN H H 8 8.990 8.990 8.873 0.117 18531 10997 1 43 . 1 1 9 9 GLY N N 9 110.200 110.200 108.537 1.663 18531 10998 1 43 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.872 0.828 18531 10999 1 43 . 1 1 9 9 GLY H H 9 7.920 7.920 7.730 0.190 18531 11000 1 43 . 1 1 10 10 LYS N N 10 120.700 120.700 119.609 1.091 18531 11001 1 43 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.221 -0.161 18531 11002 1 43 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.586 0.615 18531 11003 1 43 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.984 -0.084 18531 11004 1 43 . 1 1 10 10 LYS H H 10 9.520 9.520 8.762 0.758 18531 11005 1 43 . 1 1 11 11 THR N N 11 108.900 108.900 109.389 -0.489 18531 11006 1 43 . 1 1 11 11 THR HA H 11 4.360 4.360 4.342 0.018 18531 11007 1 43 . 1 1 11 11 THR CA C 11 62.000 62.000 61.923 0.077 18531 11008 1 43 . 1 1 11 11 THR CB C 11 69.800 69.800 69.562 0.238 18531 11009 1 43 . 1 1 11 11 THR H H 11 8.790 8.790 7.857 0.933 18531 11010 1 43 . 1 1 12 12 LEU N N 12 125.700 125.700 124.179 1.521 18531 11011 1 43 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.392 0.048 18531 11012 1 43 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.103 -0.103 18531 11013 1 43 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.805 0.495 18531 11014 1 43 . 1 1 12 12 LEU H H 12 7.580 7.580 7.977 -0.397 18531 11015 1 43 . 1 1 13 13 LYS N N 13 123.500 123.500 125.693 -2.193 18531 11016 1 43 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.566 0.554 18531 11017 1 43 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.125 -2.225 18531 11018 1 43 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.469 1.331 18531 11019 1 43 . 1 1 13 13 LYS H H 13 8.140 8.140 8.540 -0.400 18531 11020 1 43 . 1 1 14 14 GLY N N 14 109.100 109.100 110.083 -0.983 18531 11021 1 43 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.594 0.606 18531 11022 1 43 . 1 1 14 14 GLY H H 14 8.340 8.340 8.016 0.324 18531 11023 1 43 . 1 1 15 15 GLU N N 15 118.200 118.200 119.291 -1.091 18531 11024 1 43 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.865 0.735 18531 11025 1 43 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.191 -0.691 18531 11026 1 43 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.316 1.484 18531 11027 1 43 . 1 1 15 15 GLU H H 15 8.390 8.390 8.393 -0.003 18531 11028 1 43 . 1 1 16 16 THR N N 16 115.600 115.600 119.285 -3.685 18531 11029 1 43 . 1 1 16 16 THR HA H 16 4.730 4.730 4.576 0.154 18531 11030 1 43 . 1 1 16 16 THR CA C 16 60.600 60.600 61.959 -1.359 18531 11031 1 43 . 1 1 16 16 THR CB C 16 69.500 69.500 70.096 -0.596 18531 11032 1 43 . 1 1 16 16 THR H H 16 8.820 8.820 8.322 0.498 18531 11033 1 43 . 1 1 17 17 THR N N 17 111.800 111.800 119.185 -7.385 18531 11034 1 43 . 1 1 17 17 THR HA H 17 5.790 5.790 5.086 0.704 18531 11035 1 43 . 1 1 17 17 THR CA C 17 59.800 59.800 60.544 -0.744 18531 11036 1 43 . 1 1 17 17 THR CB C 17 73.100 73.100 70.324 2.776 18531 11037 1 43 . 1 1 17 17 THR H H 17 8.140 8.140 8.345 -0.205 18531 11038 1 43 . 1 1 18 18 THR N N 18 115.100 115.100 117.475 -2.375 18531 11039 1 43 . 1 1 18 18 THR HA H 18 4.640 4.640 4.698 -0.058 18531 11040 1 43 . 1 1 18 18 THR CA C 18 61.900 61.900 61.730 0.170 18531 11041 1 43 . 1 1 18 18 THR CB C 18 70.000 70.000 72.030 -2.030 18531 11042 1 43 . 1 1 18 18 THR H H 18 8.930 8.930 9.314 -0.384 18531 11043 1 43 . 1 1 19 19 LYS N N 19 124.300 124.300 120.138 4.162 18531 11044 1 43 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.724 0.606 18531 11045 1 43 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.136 -0.136 18531 11046 1 43 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.497 -0.697 18531 11047 1 43 . 1 1 19 19 LYS H H 19 7.950 7.950 8.352 -0.402 18531 11048 1 43 . 1 1 20 20 ALA N N 20 124.600 124.600 123.959 0.641 18531 11049 1 43 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.586 0.194 18531 11050 1 43 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.801 -0.901 18531 11051 1 43 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.599 2.201 18531 11052 1 43 . 1 1 20 20 ALA H H 20 9.110 9.110 7.704 1.406 18531 11053 1 43 . 1 1 21 21 VAL N N 21 115.300 115.300 115.298 0.002 18531 11054 1 43 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.054 0.056 18531 11055 1 43 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.665 -1.365 18531 11056 1 43 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.792 0.408 18531 11057 1 43 . 1 1 21 21 VAL H H 21 8.480 8.480 8.341 0.139 18531 11058 1 43 . 1 1 22 22 ASP N N 22 115.200 115.200 113.835 1.365 18531 11059 1 43 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.934 -0.224 18531 11060 1 43 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.546 -0.146 18531 11061 1 43 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.036 0.164 18531 11062 1 43 . 1 1 22 22 ASP H H 22 7.310 7.310 7.733 -0.423 18531 11063 1 43 . 1 1 23 23 ALA N N 23 121.000 121.000 122.431 -1.431 18531 11064 1 43 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.403 -0.063 18531 11065 1 43 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.889 0.011 18531 11066 1 43 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.438 -0.938 18531 11067 1 43 . 1 1 23 23 ALA H H 23 8.370 8.370 8.656 -0.286 18531 11068 1 43 . 1 1 24 24 GLU N N 24 118.900 118.900 119.390 -0.490 18531 11069 1 43 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.841 0.019 18531 11070 1 43 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.584 0.117 18531 11071 1 43 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.924 0.176 18531 11072 1 43 . 1 1 24 24 GLU H H 24 8.410 8.410 8.351 0.059 18531 11073 1 43 . 1 1 25 25 THR N N 25 117.400 117.400 113.331 4.069 18531 11074 1 43 . 1 1 25 25 THR HA H 25 3.670 3.670 4.136 -0.466 18531 11075 1 43 . 1 1 25 25 THR CA C 25 66.800 66.800 64.120 2.680 18531 11076 1 43 . 1 1 25 25 THR CB C 25 68.000 68.000 68.667 -0.667 18531 11077 1 43 . 1 1 25 25 THR H H 25 8.380 8.380 7.621 0.759 18531 11078 1 43 . 1 1 26 26 ALA N N 26 125.100 125.100 124.359 0.741 18531 11079 1 43 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.598 -0.408 18531 11080 1 43 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.826 0.174 18531 11081 1 43 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.555 -0.255 18531 11082 1 43 . 1 1 26 26 ALA H H 26 7.220 7.220 8.009 -0.789 18531 11083 1 43 . 1 1 27 27 GLU N N 27 117.400 117.400 118.505 -1.105 18531 11084 1 43 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.798 -1.208 18531 11085 1 43 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.704 -0.004 18531 11086 1 43 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.433 -0.233 18531 11087 1 43 . 1 1 27 27 GLU H H 27 8.370 8.370 8.285 0.085 18531 11088 1 43 . 1 1 28 28 LYS N N 28 116.300 116.300 119.001 -2.701 18531 11089 1 43 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.794 -0.124 18531 11090 1 43 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.297 0.303 18531 11091 1 43 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.818 0.382 18531 11092 1 43 . 1 1 28 28 LYS H H 28 7.170 7.170 7.593 -0.423 18531 11093 1 43 . 1 1 29 29 ALA N N 29 122.000 122.000 120.587 1.413 18531 11094 1 43 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.968 0.122 18531 11095 1 43 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.608 0.092 18531 11096 1 43 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.171 -0.671 18531 11097 1 43 . 1 1 29 29 ALA H H 29 7.200 7.200 7.307 -0.107 18531 11098 1 43 . 1 1 30 30 PHE N N 30 119.600 119.600 116.252 3.348 18531 11099 1 43 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.382 0.398 18531 11100 1 43 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.825 -3.225 18531 11101 1 43 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.759 -1.359 18531 11102 1 43 . 1 1 30 30 PHE H H 30 8.610 8.610 7.232 1.378 18531 11103 1 43 . 1 1 31 31 LYS N N 31 122.800 122.800 120.257 2.543 18531 11104 1 43 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.114 -0.024 18531 11105 1 43 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.151 -0.451 18531 11106 1 43 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.802 -0.202 18531 11107 1 43 . 1 1 31 31 LYS H H 31 9.030 9.030 8.526 0.504 18531 11108 1 43 . 1 1 32 32 GLN N N 32 119.600 119.600 117.446 2.154 18531 11109 1 43 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.082 -0.052 18531 11110 1 43 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.730 -0.030 18531 11111 1 43 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.439 -0.339 18531 11112 1 43 . 1 1 32 32 GLN H H 32 7.510 7.510 8.517 -1.007 18531 11113 1 43 . 1 1 33 33 TYR N N 33 120.400 120.400 121.119 -0.719 18531 11114 1 43 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.291 -0.041 18531 11115 1 43 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.796 1.004 18531 11116 1 43 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.819 -0.119 18531 11117 1 43 . 1 1 33 33 TYR H H 33 8.080 8.080 7.883 0.197 18531 11118 1 43 . 1 1 34 34 ALA N N 34 122.300 122.300 120.666 1.634 18531 11119 1 43 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.818 -0.038 18531 11120 1 43 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.667 0.433 18531 11121 1 43 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.473 -0.773 18531 11122 1 43 . 1 1 34 34 ALA H H 34 9.210 9.210 8.205 1.005 18531 11123 1 43 . 1 1 35 35 ASN N N 35 117.700 117.700 115.817 1.883 18531 11124 1 43 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.546 -0.086 18531 11125 1 43 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.689 1.311 18531 11126 1 43 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.378 0.622 18531 11127 1 43 . 1 1 35 35 ASN H H 35 8.390 8.390 8.551 -0.161 18531 11128 1 43 . 1 1 36 36 ASP N N 36 121.100 121.100 119.134 1.966 18531 11129 1 43 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531 11130 1 43 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.065 1.635 18531 11131 1 43 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.654 -0.654 18531 11132 1 43 . 1 1 36 36 ASP H H 36 8.830 8.830 7.872 0.958 18531 11133 1 43 . 1 1 37 37 ASN N N 37 115.200 115.200 116.532 -1.332 18531 11134 1 43 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.803 -0.193 18531 11135 1 43 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.470 1.230 18531 11136 1 43 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.096 0.904 18531 11137 1 43 . 1 1 37 37 ASN H H 37 7.390 7.390 7.692 -0.302 18531 11138 1 43 . 1 1 38 38 GLY N N 38 108.200 108.200 108.683 -0.483 18531 11139 1 43 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.082 0.318 18531 11140 1 43 . 1 1 38 38 GLY H H 38 7.800 7.800 7.713 0.087 18531 11141 1 43 . 1 1 39 39 VAL N N 39 120.800 120.800 119.963 0.837 18531 11142 1 43 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.223 -0.083 18531 11143 1 43 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.285 0.415 18531 11144 1 43 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.633 -1.333 18531 11145 1 43 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531 11146 1 43 . 1 1 40 40 ASP N N 40 128.000 128.000 124.950 3.050 18531 11147 1 43 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.810 0.080 18531 11148 1 43 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.187 -1.387 18531 11149 1 43 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.900 -0.800 18531 11150 1 43 . 1 1 40 40 ASP H H 40 8.770 8.770 8.414 0.356 18531 11151 1 43 . 1 1 41 41 GLY N N 41 107.100 107.100 111.105 -4.005 18531 11152 1 43 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.528 -0.128 18531 11153 1 43 . 1 1 41 41 GLY H H 41 7.910 7.910 8.154 -0.244 18531 11154 1 43 . 1 1 42 42 VAL N N 42 120.300 120.300 119.679 0.621 18531 11155 1 43 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.405 -0.025 18531 11156 1 43 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.609 0.491 18531 11157 1 43 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.896 -0.496 18531 11158 1 43 . 1 1 42 42 VAL H H 42 8.250 8.250 8.451 -0.201 18531 11159 1 43 . 1 1 43 43 TRP N N 43 130.700 130.700 123.098 7.602 18531 11160 1 43 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.349 0.011 18531 11161 1 43 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.157 1.443 18531 11162 1 43 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.020 -0.820 18531 11163 1 43 . 1 1 43 43 TRP H H 43 9.360 9.360 8.617 0.743 18531 11164 1 43 . 1 1 44 44 THR N N 44 114.500 114.500 119.568 -5.068 18531 11165 1 43 . 1 1 44 44 THR HA H 44 4.830 4.830 4.654 0.176 18531 11166 1 43 . 1 1 44 44 THR CA C 44 60.300 60.300 61.687 -1.387 18531 11167 1 43 . 1 1 44 44 THR CB C 44 72.100 72.100 69.036 3.064 18531 11168 1 43 . 1 1 44 44 THR H H 44 9.400 9.400 8.587 0.813 18531 11169 1 43 . 1 1 45 45 TYR N N 45 120.100 120.100 127.405 -7.305 18531 11170 1 43 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.130 -0.160 18531 11171 1 43 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.029 1.971 18531 11172 1 43 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.481 1.119 18531 11173 1 43 . 1 1 45 45 TYR H H 45 8.580 8.580 8.281 0.298 18531 11174 1 43 . 1 1 46 46 ASP N N 46 128.300 128.300 123.884 4.416 18531 11175 1 43 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531 11176 1 43 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.608 0.292 18531 11177 1 43 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.273 -1.173 18531 11178 1 43 . 1 1 46 46 ASP H H 46 7.580 7.580 7.870 -0.290 18531 11179 1 43 . 1 1 47 47 ASP N N 47 124.800 124.800 123.908 0.892 18531 11180 1 43 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.783 -0.673 18531 11181 1 43 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.160 1.340 18531 11182 1 43 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.738 1.362 18531 11183 1 43 . 1 1 47 47 ASP H H 47 8.590 8.590 8.295 0.295 18531 11184 1 43 . 1 1 48 48 ALA N N 48 119.700 119.700 122.392 -2.692 18531 11185 1 43 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.516 -0.426 18531 11186 1 43 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.873 1.127 18531 11187 1 43 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.311 -2.011 18531 11188 1 43 . 1 1 48 48 ALA H H 48 8.340 8.340 8.160 0.180 18531 11189 1 43 . 1 1 49 49 THR N N 49 103.200 103.200 111.241 -8.041 18531 11190 1 43 . 1 1 49 49 THR HA H 49 4.390 4.390 4.471 -0.081 18531 11191 1 43 . 1 1 49 49 THR CA C 49 60.200 60.200 60.726 -0.526 18531 11192 1 43 . 1 1 49 49 THR CB C 49 70.000 70.000 69.272 0.729 18531 11193 1 43 . 1 1 49 49 THR H H 49 7.000 7.000 7.804 -0.804 18531 11194 1 43 . 1 1 50 50 LYS N N 50 123.100 123.100 117.317 5.783 18531 11195 1 43 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.372 -0.182 18531 11196 1 43 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.451 -0.851 18531 11197 1 43 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.587 -0.987 18531 11198 1 43 . 1 1 50 50 LYS H H 50 7.860 7.860 8.149 -0.289 18531 11199 1 43 . 1 1 51 51 THR N N 51 111.200 111.200 116.111 -4.911 18531 11200 1 43 . 1 1 51 51 THR HA H 51 5.490 5.490 4.719 0.771 18531 11201 1 43 . 1 1 51 51 THR CA C 51 62.300 62.300 62.633 -0.333 18531 11202 1 43 . 1 1 51 51 THR CB C 51 72.100 72.100 70.084 2.016 18531 11203 1 43 . 1 1 51 51 THR H H 51 7.390 7.390 7.746 -0.356 18531 11204 1 43 . 1 1 52 52 PHE N N 52 131.000 131.000 129.865 1.135 18531 11205 1 43 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.107 0.523 18531 11206 1 43 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.980 0.320 18531 11207 1 43 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.404 2.196 18531 11208 1 43 . 1 1 52 52 PHE H H 52 10.390 10.390 9.012 1.378 18531 11209 1 43 . 1 1 53 53 THR N N 53 117.400 117.400 120.600 -3.200 18531 11210 1 43 . 1 1 53 53 THR HA H 53 5.270 5.270 5.065 0.205 18531 11211 1 43 . 1 1 53 53 THR CA C 53 61.200 61.200 60.883 0.318 18531 11212 1 43 . 1 1 53 53 THR CB C 53 71.000 71.000 70.784 0.216 18531 11213 1 43 . 1 1 53 53 THR H H 53 9.180 9.180 9.193 -0.013 18531 11214 1 43 . 1 1 54 54 VAL N N 54 123.000 123.000 125.825 -2.825 18531 11215 1 43 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.285 0.175 18531 11216 1 43 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.865 -2.765 18531 11217 1 43 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.218 -0.918 18531 11218 1 43 . 1 1 54 54 VAL H H 54 8.280 8.280 8.935 -0.655 18531 11219 1 43 . 1 1 55 55 THR N N 55 123.900 123.900 124.132 -0.232 18531 11220 1 43 . 1 1 55 55 THR HA H 55 4.700 4.700 4.442 0.258 18531 11221 1 43 . 1 1 55 55 THR CA C 55 61.200 61.200 62.325 -1.125 18531 11222 1 43 . 1 1 55 55 THR CB C 55 70.700 70.700 69.768 0.932 18531 11223 1 43 . 1 1 55 55 THR H H 55 8.320 8.320 8.442 -0.122 18531 11224 1 44 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.654 0.397 18531 11225 1 44 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.699 -0.099 18531 11226 1 44 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.459 -0.759 18531 11227 1 44 . 1 1 2 2 GLN H H 2 8.410 8.410 7.926 0.484 18531 11228 1 44 . 1 1 3 3 TYR N N 3 124.000 124.000 122.982 1.018 18531 11229 1 44 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.882 0.478 18531 11230 1 44 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.467 0.633 18531 11231 1 44 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.920 1.680 18531 11232 1 44 . 1 1 3 3 TYR H H 3 9.070 9.070 8.425 0.645 18531 11233 1 44 . 1 1 4 4 LYS N N 4 122.500 122.500 121.181 1.319 18531 11234 1 44 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.861 0.359 18531 11235 1 44 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.682 0.318 18531 11236 1 44 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.397 -0.397 18531 11237 1 44 . 1 1 4 4 LYS H H 4 9.100 9.100 8.504 0.596 18531 11238 1 44 . 1 1 5 5 LEU N N 5 126.400 126.400 128.259 -1.859 18531 11239 1 44 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.709 0.261 18531 11240 1 44 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.664 -0.864 18531 11241 1 44 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.484 -0.885 18531 11242 1 44 . 1 1 5 5 LEU H H 5 8.620 8.620 8.812 -0.192 18531 11243 1 44 . 1 1 6 6 VAL N N 6 127.000 127.000 128.525 -1.525 18531 11244 1 44 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.226 -0.066 18531 11245 1 44 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.884 0.416 18531 11246 1 44 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.720 -0.020 18531 11247 1 44 . 1 1 6 6 VAL H H 6 9.190 9.190 9.191 -0.001 18531 11248 1 44 . 1 1 7 7 ILE N N 7 125.400 125.400 127.528 -2.128 18531 11249 1 44 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.581 -0.491 18531 11250 1 44 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.262 0.438 18531 11251 1 44 . 1 1 7 7 ILE CB C 7 39.000 39.000 40.155 -1.155 18531 11252 1 44 . 1 1 7 7 ILE H H 7 8.800 8.800 7.726 1.074 18531 11253 1 44 . 1 1 8 8 ASN N N 8 128.900 128.900 123.322 5.578 18531 11254 1 44 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.991 0.289 18531 11255 1 44 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.683 -1.883 18531 11256 1 44 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.063 -1.963 18531 11257 1 44 . 1 1 8 8 ASN H H 8 8.990 8.990 8.910 0.080 18531 11258 1 44 . 1 1 9 9 GLY N N 9 110.200 110.200 108.179 2.021 18531 11259 1 44 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.562 1.138 18531 11260 1 44 . 1 1 9 9 GLY H H 9 7.920 7.920 8.292 -0.372 18531 11261 1 44 . 1 1 10 10 LYS N N 10 120.700 120.700 121.851 -1.151 18531 11262 1 44 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.148 -0.088 18531 11263 1 44 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.226 -0.026 18531 11264 1 44 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.858 0.042 18531 11265 1 44 . 1 1 10 10 LYS H H 10 9.520 9.520 8.350 1.170 18531 11266 1 44 . 1 1 11 11 THR N N 11 108.900 108.900 111.630 -2.730 18531 11267 1 44 . 1 1 11 11 THR HA H 11 4.360 4.360 4.390 -0.030 18531 11268 1 44 . 1 1 11 11 THR CA C 11 62.000 62.000 61.940 0.060 18531 11269 1 44 . 1 1 11 11 THR CB C 11 69.800 69.800 69.293 0.506 18531 11270 1 44 . 1 1 11 11 THR H H 11 8.790 8.790 8.168 0.622 18531 11271 1 44 . 1 1 12 12 LEU N N 12 125.700 125.700 123.454 2.246 18531 11272 1 44 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.508 -0.068 18531 11273 1 44 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.634 -0.634 18531 11274 1 44 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.216 -1.916 18531 11275 1 44 . 1 1 12 12 LEU H H 12 7.580 7.580 7.530 0.050 18531 11276 1 44 . 1 1 13 13 LYS N N 13 123.500 123.500 124.331 -0.831 18531 11277 1 44 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.648 0.472 18531 11278 1 44 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.261 -2.361 18531 11279 1 44 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.188 1.612 18531 11280 1 44 . 1 1 13 13 LYS H H 13 8.140 8.140 8.535 -0.395 18531 11281 1 44 . 1 1 14 14 GLY N N 14 109.100 109.100 110.010 -0.910 18531 11282 1 44 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.817 0.383 18531 11283 1 44 . 1 1 14 14 GLY H H 14 8.340 8.340 7.819 0.521 18531 11284 1 44 . 1 1 15 15 GLU N N 15 118.200 118.200 119.086 -0.886 18531 11285 1 44 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.872 0.728 18531 11286 1 44 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.725 -1.225 18531 11287 1 44 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.080 0.720 18531 11288 1 44 . 1 1 15 15 GLU H H 15 8.390 8.390 8.482 -0.092 18531 11289 1 44 . 1 1 16 16 THR N N 16 115.600 115.600 119.965 -4.365 18531 11290 1 44 . 1 1 16 16 THR HA H 16 4.730 4.730 4.580 0.150 18531 11291 1 44 . 1 1 16 16 THR CA C 16 60.600 60.600 61.853 -1.253 18531 11292 1 44 . 1 1 16 16 THR CB C 16 69.500 69.500 69.915 -0.415 18531 11293 1 44 . 1 1 16 16 THR H H 16 8.820 8.820 8.369 0.451 18531 11294 1 44 . 1 1 17 17 THR N N 17 111.800 111.800 120.070 -8.270 18531 11295 1 44 . 1 1 17 17 THR HA H 17 5.790 5.790 5.269 0.521 18531 11296 1 44 . 1 1 17 17 THR CA C 17 59.800 59.800 60.497 -0.697 18531 11297 1 44 . 1 1 17 17 THR CB C 17 73.100 73.100 70.559 2.541 18531 11298 1 44 . 1 1 17 17 THR H H 17 8.140 8.140 8.507 -0.367 18531 11299 1 44 . 1 1 18 18 THR N N 18 115.100 115.100 117.428 -2.328 18531 11300 1 44 . 1 1 18 18 THR HA H 18 4.640 4.640 4.694 -0.054 18531 11301 1 44 . 1 1 18 18 THR CA C 18 61.900 61.900 61.133 0.767 18531 11302 1 44 . 1 1 18 18 THR CB C 18 70.000 70.000 70.494 -0.494 18531 11303 1 44 . 1 1 18 18 THR H H 18 8.930 8.930 8.938 -0.008 18531 11304 1 44 . 1 1 19 19 LYS N N 19 124.300 124.300 119.183 5.117 18531 11305 1 44 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.805 0.525 18531 11306 1 44 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.998 0.002 18531 11307 1 44 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.594 -0.794 18531 11308 1 44 . 1 1 19 19 LYS H H 19 7.950 7.950 8.220 -0.270 18531 11309 1 44 . 1 1 20 20 ALA N N 20 124.600 124.600 124.283 0.317 18531 11310 1 44 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.595 0.185 18531 11311 1 44 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.748 -0.848 18531 11312 1 44 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.214 2.586 18531 11313 1 44 . 1 1 20 20 ALA H H 20 9.110 9.110 8.128 0.982 18531 11314 1 44 . 1 1 21 21 VAL N N 21 115.300 115.300 118.616 -3.316 18531 11315 1 44 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.935 0.175 18531 11316 1 44 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.631 -1.331 18531 11317 1 44 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.076 0.124 18531 11318 1 44 . 1 1 21 21 VAL H H 21 8.480 8.480 8.446 0.034 18531 11319 1 44 . 1 1 22 22 ASP N N 22 115.200 115.200 113.659 1.541 18531 11320 1 44 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531 11321 1 44 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.466 -0.066 18531 11322 1 44 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.920 0.280 18531 11323 1 44 . 1 1 22 22 ASP H H 22 7.310 7.310 7.642 -0.332 18531 11324 1 44 . 1 1 23 23 ALA N N 23 121.000 121.000 122.247 -1.247 18531 11325 1 44 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.529 -0.189 18531 11326 1 44 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.985 -0.085 18531 11327 1 44 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.442 -0.942 18531 11328 1 44 . 1 1 23 23 ALA H H 23 8.370 8.370 8.721 -0.351 18531 11329 1 44 . 1 1 24 24 GLU N N 24 118.900 118.900 118.400 0.500 18531 11330 1 44 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.857 0.003 18531 11331 1 44 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.367 0.333 18531 11332 1 44 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.057 0.043 18531 11333 1 44 . 1 1 24 24 GLU H H 24 8.410 8.410 8.205 0.205 18531 11334 1 44 . 1 1 25 25 THR N N 25 117.400 117.400 113.501 3.899 18531 11335 1 44 . 1 1 25 25 THR HA H 25 3.670 3.670 4.112 -0.442 18531 11336 1 44 . 1 1 25 25 THR CA C 25 66.800 66.800 64.205 2.595 18531 11337 1 44 . 1 1 25 25 THR CB C 25 68.000 68.000 68.754 -0.754 18531 11338 1 44 . 1 1 25 25 THR H H 25 8.380 8.380 7.848 0.532 18531 11339 1 44 . 1 1 26 26 ALA N N 26 125.100 125.100 124.328 0.772 18531 11340 1 44 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.679 -0.489 18531 11341 1 44 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.982 0.018 18531 11342 1 44 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.721 -0.422 18531 11343 1 44 . 1 1 26 26 ALA H H 26 7.220 7.220 8.263 -1.043 18531 11344 1 44 . 1 1 27 27 GLU N N 27 117.400 117.400 118.658 -1.258 18531 11345 1 44 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.007 -1.417 18531 11346 1 44 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.794 -0.094 18531 11347 1 44 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.506 -0.306 18531 11348 1 44 . 1 1 27 27 GLU H H 27 8.370 8.370 8.335 0.035 18531 11349 1 44 . 1 1 28 28 LYS N N 28 116.300 116.300 119.048 -2.748 18531 11350 1 44 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.799 -0.129 18531 11351 1 44 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.187 0.413 18531 11352 1 44 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.914 0.286 18531 11353 1 44 . 1 1 28 28 LYS H H 28 7.170 7.170 7.465 -0.295 18531 11354 1 44 . 1 1 29 29 ALA N N 29 122.000 122.000 120.709 1.291 18531 11355 1 44 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.007 0.083 18531 11356 1 44 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.536 0.164 18531 11357 1 44 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.905 -0.405 18531 11358 1 44 . 1 1 29 29 ALA H H 29 7.200 7.200 7.271 -0.071 18531 11359 1 44 . 1 1 30 30 PHE N N 30 119.600 119.600 117.179 2.421 18531 11360 1 44 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.488 0.292 18531 11361 1 44 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.435 -3.835 18531 11362 1 44 . 1 1 30 30 PHE CB C 30 37.400 37.400 39.009 -1.609 18531 11363 1 44 . 1 1 30 30 PHE H H 30 8.610 8.610 7.255 1.355 18531 11364 1 44 . 1 1 31 31 LYS N N 31 122.800 122.800 118.614 4.186 18531 11365 1 44 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.157 -0.067 18531 11366 1 44 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.224 0.476 18531 11367 1 44 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.378 0.222 18531 11368 1 44 . 1 1 31 31 LYS H H 31 9.030 9.030 8.544 0.486 18531 11369 1 44 . 1 1 32 32 GLN N N 32 119.600 119.600 117.574 2.026 18531 11370 1 44 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.215 -0.185 18531 11371 1 44 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.972 0.728 18531 11372 1 44 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.832 -0.732 18531 11373 1 44 . 1 1 32 32 GLN H H 32 7.510 7.510 7.671 -0.161 18531 11374 1 44 . 1 1 33 33 TYR N N 33 120.400 120.400 120.096 0.304 18531 11375 1 44 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.453 -0.203 18531 11376 1 44 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.214 1.586 18531 11377 1 44 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.774 -1.074 18531 11378 1 44 . 1 1 33 33 TYR H H 33 8.080 8.080 8.160 -0.080 18531 11379 1 44 . 1 1 34 34 ALA N N 34 122.300 122.300 121.196 1.104 18531 11380 1 44 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.827 -0.047 18531 11381 1 44 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.584 0.516 18531 11382 1 44 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.214 -0.514 18531 11383 1 44 . 1 1 34 34 ALA H H 34 9.210 9.210 8.151 1.059 18531 11384 1 44 . 1 1 35 35 ASN N N 35 117.700 117.700 115.354 2.346 18531 11385 1 44 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531 11386 1 44 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.758 1.242 18531 11387 1 44 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.338 0.662 18531 11388 1 44 . 1 1 35 35 ASN H H 35 8.390 8.390 8.089 0.301 18531 11389 1 44 . 1 1 36 36 ASP N N 36 121.100 121.100 117.595 3.505 18531 11390 1 44 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.629 -0.269 18531 11391 1 44 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.757 1.944 18531 11392 1 44 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.151 -1.151 18531 11393 1 44 . 1 1 36 36 ASP H H 36 8.830 8.830 7.877 0.953 18531 11394 1 44 . 1 1 37 37 ASN N N 37 115.200 115.200 115.902 -0.702 18531 11395 1 44 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.641 -0.031 18531 11396 1 44 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.291 0.409 18531 11397 1 44 . 1 1 37 37 ASN CB C 37 40.000 40.000 40.175 -0.175 18531 11398 1 44 . 1 1 37 37 ASN H H 37 7.390 7.390 7.535 -0.145 18531 11399 1 44 . 1 1 38 38 GLY N N 38 108.200 108.200 108.492 -0.292 18531 11400 1 44 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.338 1.062 18531 11401 1 44 . 1 1 38 38 GLY H H 38 7.800 7.800 8.024 -0.224 18531 11402 1 44 . 1 1 39 39 VAL N N 39 120.800 120.800 121.477 -0.677 18531 11403 1 44 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.152 -0.012 18531 11404 1 44 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.010 -0.310 18531 11405 1 44 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.827 0.473 18531 11406 1 44 . 1 1 39 39 VAL H H 39 8.120 8.120 8.155 -0.035 18531 11407 1 44 . 1 1 40 40 ASP N N 40 128.000 128.000 126.296 1.704 18531 11408 1 44 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.822 0.068 18531 11409 1 44 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.042 -0.242 18531 11410 1 44 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.257 -1.157 18531 11411 1 44 . 1 1 40 40 ASP H H 40 8.770 8.770 8.365 0.405 18531 11412 1 44 . 1 1 41 41 GLY N N 41 107.100 107.100 111.152 -4.052 18531 11413 1 44 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.370 0.030 18531 11414 1 44 . 1 1 41 41 GLY H H 41 7.910 7.910 8.357 -0.447 18531 11415 1 44 . 1 1 42 42 VAL N N 42 120.300 120.300 122.576 -2.276 18531 11416 1 44 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.213 0.167 18531 11417 1 44 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.311 -0.211 18531 11418 1 44 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.136 0.264 18531 11419 1 44 . 1 1 42 42 VAL H H 42 8.250 8.250 8.387 -0.137 18531 11420 1 44 . 1 1 43 43 TRP N N 43 130.700 130.700 126.400 4.300 18531 11421 1 44 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.096 0.264 18531 11422 1 44 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.810 1.790 18531 11423 1 44 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.928 -0.728 18531 11424 1 44 . 1 1 43 43 TRP H H 43 9.360 9.360 8.501 0.859 18531 11425 1 44 . 1 1 44 44 THR N N 44 114.500 114.500 115.902 -1.402 18531 11426 1 44 . 1 1 44 44 THR HA H 44 4.830 4.830 4.744 0.086 18531 11427 1 44 . 1 1 44 44 THR CA C 44 60.300 60.300 59.702 0.598 18531 11428 1 44 . 1 1 44 44 THR CB C 44 72.100 72.100 71.040 1.060 18531 11429 1 44 . 1 1 44 44 THR H H 44 9.400 9.400 8.187 1.213 18531 11430 1 44 . 1 1 45 45 TYR N N 45 120.100 120.100 119.779 0.321 18531 11431 1 44 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.881 0.089 18531 11432 1 44 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.266 0.734 18531 11433 1 44 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.660 0.940 18531 11434 1 44 . 1 1 45 45 TYR H H 45 8.580 8.580 8.035 0.545 18531 11435 1 44 . 1 1 46 46 ASP N N 46 128.300 128.300 123.458 4.842 18531 11436 1 44 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.484 0.096 18531 11437 1 44 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.515 0.385 18531 11438 1 44 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.362 -0.262 18531 11439 1 44 . 1 1 46 46 ASP H H 46 7.580 7.580 8.463 -0.883 18531 11440 1 44 . 1 1 47 47 ASP N N 47 124.800 124.800 125.151 -0.351 18531 11441 1 44 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.782 -0.672 18531 11442 1 44 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.816 1.683 18531 11443 1 44 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.204 1.896 18531 11444 1 44 . 1 1 47 47 ASP H H 47 8.590 8.590 8.534 0.056 18531 11445 1 44 . 1 1 48 48 ALA N N 48 119.700 119.700 121.447 -1.747 18531 11446 1 44 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.525 -0.435 18531 11447 1 44 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.413 1.587 18531 11448 1 44 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.491 -2.191 18531 11449 1 44 . 1 1 48 48 ALA H H 48 8.340 8.340 8.243 0.097 18531 11450 1 44 . 1 1 49 49 THR N N 49 103.200 103.200 113.740 -10.540 18531 11451 1 44 . 1 1 49 49 THR HA H 49 4.390 4.390 4.580 -0.190 18531 11452 1 44 . 1 1 49 49 THR CA C 49 60.200 60.200 61.550 -1.350 18531 11453 1 44 . 1 1 49 49 THR CB C 49 70.000 70.000 69.567 0.433 18531 11454 1 44 . 1 1 49 49 THR H H 49 7.000 7.000 8.072 -1.072 18531 11455 1 44 . 1 1 50 50 LYS N N 50 123.100 123.100 117.585 5.515 18531 11456 1 44 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.398 -0.208 18531 11457 1 44 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.395 -0.795 18531 11458 1 44 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.947 -1.347 18531 11459 1 44 . 1 1 50 50 LYS H H 50 7.860 7.860 8.083 -0.223 18531 11460 1 44 . 1 1 51 51 THR N N 51 111.200 111.200 115.647 -4.447 18531 11461 1 44 . 1 1 51 51 THR HA H 51 5.490 5.490 4.885 0.605 18531 11462 1 44 . 1 1 51 51 THR CA C 51 62.300 62.300 62.416 -0.116 18531 11463 1 44 . 1 1 51 51 THR CB C 51 72.100 72.100 71.602 0.498 18531 11464 1 44 . 1 1 51 51 THR H H 51 7.390 7.390 7.748 -0.358 18531 11465 1 44 . 1 1 52 52 PHE N N 52 131.000 131.000 127.700 3.300 18531 11466 1 44 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.177 0.453 18531 11467 1 44 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.337 0.963 18531 11468 1 44 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.338 0.262 18531 11469 1 44 . 1 1 52 52 PHE H H 52 10.390 10.390 9.070 1.320 18531 11470 1 44 . 1 1 53 53 THR N N 53 117.400 117.400 120.441 -3.041 18531 11471 1 44 . 1 1 53 53 THR HA H 53 5.270 5.270 5.136 0.134 18531 11472 1 44 . 1 1 53 53 THR CA C 53 61.200 61.200 60.969 0.231 18531 11473 1 44 . 1 1 53 53 THR CB C 53 71.000 71.000 70.449 0.551 18531 11474 1 44 . 1 1 53 53 THR H H 53 9.180 9.180 8.772 0.408 18531 11475 1 44 . 1 1 54 54 VAL N N 54 123.000 123.000 126.424 -3.424 18531 11476 1 44 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.392 0.068 18531 11477 1 44 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.978 -2.878 18531 11478 1 44 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.695 -0.395 18531 11479 1 44 . 1 1 54 54 VAL H H 54 8.280 8.280 9.025 -0.745 18531 11480 1 44 . 1 1 55 55 THR N N 55 123.900 123.900 123.565 0.335 18531 11481 1 44 . 1 1 55 55 THR HA H 55 4.700 4.700 4.428 0.272 18531 11482 1 44 . 1 1 55 55 THR CA C 55 61.200 61.200 62.297 -1.097 18531 11483 1 44 . 1 1 55 55 THR CB C 55 70.700 70.700 69.843 0.857 18531 11484 1 44 . 1 1 55 55 THR H H 55 8.320 8.320 8.030 0.290 18531 11485 1 45 . 1 1 2 2 GLN HA H 2 5.050 5.050 3.919 1.131 18531 11486 1 45 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.061 -0.461 18531 11487 1 45 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.415 2.285 18531 11488 1 45 . 1 1 2 2 GLN H H 2 8.410 8.410 8.247 0.163 18531 11489 1 45 . 1 1 3 3 TYR N N 3 124.000 124.000 121.700 2.300 18531 11490 1 45 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.958 0.402 18531 11491 1 45 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.348 0.752 18531 11492 1 45 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.989 1.611 18531 11493 1 45 . 1 1 3 3 TYR H H 3 9.070 9.070 8.472 0.598 18531 11494 1 45 . 1 1 4 4 LYS N N 4 122.500 122.500 121.337 1.163 18531 11495 1 45 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.692 0.528 18531 11496 1 45 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.055 -0.055 18531 11497 1 45 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.158 -0.158 18531 11498 1 45 . 1 1 4 4 LYS H H 4 9.100 9.100 8.554 0.546 18531 11499 1 45 . 1 1 5 5 LEU N N 5 126.400 126.400 128.479 -2.079 18531 11500 1 45 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.624 0.346 18531 11501 1 45 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.641 -0.841 18531 11502 1 45 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.690 -1.089 18531 11503 1 45 . 1 1 5 5 LEU H H 5 8.620 8.620 8.690 -0.070 18531 11504 1 45 . 1 1 6 6 VAL N N 6 127.000 127.000 128.753 -1.753 18531 11505 1 45 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.214 -0.054 18531 11506 1 45 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.747 0.553 18531 11507 1 45 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.388 0.312 18531 11508 1 45 . 1 1 6 6 VAL H H 6 9.190 9.190 9.146 0.044 18531 11509 1 45 . 1 1 7 7 ILE N N 7 125.400 125.400 127.794 -2.394 18531 11510 1 45 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.447 -0.357 18531 11511 1 45 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.409 0.291 18531 11512 1 45 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.890 -0.890 18531 11513 1 45 . 1 1 7 7 ILE H H 7 8.800 8.800 7.715 1.085 18531 11514 1 45 . 1 1 8 8 ASN N N 8 128.900 128.900 123.342 5.558 18531 11515 1 45 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.982 0.298 18531 11516 1 45 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.688 -1.888 18531 11517 1 45 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.101 -2.001 18531 11518 1 45 . 1 1 8 8 ASN H H 8 8.990 8.990 8.930 0.060 18531 11519 1 45 . 1 1 9 9 GLY N N 9 110.200 110.200 107.407 2.793 18531 11520 1 45 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.751 0.949 18531 11521 1 45 . 1 1 9 9 GLY H H 9 7.920 7.920 8.215 -0.295 18531 11522 1 45 . 1 1 10 10 LYS N N 10 120.700 120.700 121.111 -0.411 18531 11523 1 45 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.207 -0.147 18531 11524 1 45 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.246 0.954 18531 11525 1 45 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.670 0.230 18531 11526 1 45 . 1 1 10 10 LYS H H 10 9.520 9.520 8.689 0.831 18531 11527 1 45 . 1 1 11 11 THR N N 11 108.900 108.900 111.601 -2.701 18531 11528 1 45 . 1 1 11 11 THR HA H 11 4.360 4.360 4.373 -0.013 18531 11529 1 45 . 1 1 11 11 THR CA C 11 62.000 62.000 61.863 0.137 18531 11530 1 45 . 1 1 11 11 THR CB C 11 69.800 69.800 69.825 -0.025 18531 11531 1 45 . 1 1 11 11 THR H H 11 8.790 8.790 7.732 1.058 18531 11532 1 45 . 1 1 12 12 LEU N N 12 125.700 125.700 123.741 1.959 18531 11533 1 45 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.502 -0.062 18531 11534 1 45 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.287 -0.287 18531 11535 1 45 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.985 -1.685 18531 11536 1 45 . 1 1 12 12 LEU H H 12 7.580 7.580 7.496 0.084 18531 11537 1 45 . 1 1 13 13 LYS N N 13 123.500 123.500 124.649 -1.149 18531 11538 1 45 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.596 0.524 18531 11539 1 45 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.997 -2.097 18531 11540 1 45 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.201 1.599 18531 11541 1 45 . 1 1 13 13 LYS H H 13 8.140 8.140 8.539 -0.399 18531 11542 1 45 . 1 1 14 14 GLY N N 14 109.100 109.100 110.542 -1.442 18531 11543 1 45 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.590 0.610 18531 11544 1 45 . 1 1 14 14 GLY H H 14 8.340 8.340 7.988 0.352 18531 11545 1 45 . 1 1 15 15 GLU N N 15 118.200 118.200 119.481 -1.281 18531 11546 1 45 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.855 0.745 18531 11547 1 45 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.735 -1.235 18531 11548 1 45 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.874 0.926 18531 11549 1 45 . 1 1 15 15 GLU H H 15 8.390 8.390 8.460 -0.070 18531 11550 1 45 . 1 1 16 16 THR N N 16 115.600 115.600 122.734 -7.134 18531 11551 1 45 . 1 1 16 16 THR HA H 16 4.730 4.730 4.679 0.050 18531 11552 1 45 . 1 1 16 16 THR CA C 16 60.600 60.600 61.590 -0.991 18531 11553 1 45 . 1 1 16 16 THR CB C 16 69.500 69.500 69.606 -0.106 18531 11554 1 45 . 1 1 16 16 THR H H 16 8.820 8.820 8.578 0.242 18531 11555 1 45 . 1 1 17 17 THR N N 17 111.800 111.800 119.106 -7.306 18531 11556 1 45 . 1 1 17 17 THR HA H 17 5.790 5.790 5.323 0.467 18531 11557 1 45 . 1 1 17 17 THR CA C 17 59.800 59.800 60.240 -0.440 18531 11558 1 45 . 1 1 17 17 THR CB C 17 73.100 73.100 70.886 2.214 18531 11559 1 45 . 1 1 17 17 THR H H 17 8.140 8.140 8.572 -0.432 18531 11560 1 45 . 1 1 18 18 THR N N 18 115.100 115.100 117.330 -2.230 18531 11561 1 45 . 1 1 18 18 THR HA H 18 4.640 4.640 4.684 -0.044 18531 11562 1 45 . 1 1 18 18 THR CA C 18 61.900 61.900 61.440 0.460 18531 11563 1 45 . 1 1 18 18 THR CB C 18 70.000 70.000 69.856 0.144 18531 11564 1 45 . 1 1 18 18 THR H H 18 8.930 8.930 8.827 0.103 18531 11565 1 45 . 1 1 19 19 LYS N N 19 124.300 124.300 119.215 5.085 18531 11566 1 45 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.882 0.448 18531 11567 1 45 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.045 -0.045 18531 11568 1 45 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.971 -1.171 18531 11569 1 45 . 1 1 19 19 LYS H H 19 7.950 7.950 8.372 -0.422 18531 11570 1 45 . 1 1 20 20 ALA N N 20 124.600 124.600 123.858 0.742 18531 11571 1 45 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.550 0.230 18531 11572 1 45 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.517 -0.617 18531 11573 1 45 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.902 1.898 18531 11574 1 45 . 1 1 20 20 ALA H H 20 9.110 9.110 8.084 1.026 18531 11575 1 45 . 1 1 21 21 VAL N N 21 115.300 115.300 119.548 -4.248 18531 11576 1 45 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.929 0.181 18531 11577 1 45 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.144 -1.844 18531 11578 1 45 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.378 0.822 18531 11579 1 45 . 1 1 21 21 VAL H H 21 8.480 8.480 8.537 -0.057 18531 11580 1 45 . 1 1 22 22 ASP N N 22 115.200 115.200 114.343 0.857 18531 11581 1 45 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.022 -0.312 18531 11582 1 45 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.689 -0.289 18531 11583 1 45 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.355 -0.155 18531 11584 1 45 . 1 1 22 22 ASP H H 22 7.310 7.310 7.782 -0.472 18531 11585 1 45 . 1 1 23 23 ALA N N 23 121.000 121.000 122.358 -1.358 18531 11586 1 45 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.244 0.096 18531 11587 1 45 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.351 -0.451 18531 11588 1 45 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.504 -1.004 18531 11589 1 45 . 1 1 23 23 ALA H H 23 8.370 8.370 8.708 -0.338 18531 11590 1 45 . 1 1 24 24 GLU N N 24 118.900 118.900 118.185 0.715 18531 11591 1 45 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.879 -0.019 18531 11592 1 45 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.275 0.425 18531 11593 1 45 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.867 0.233 18531 11594 1 45 . 1 1 24 24 GLU H H 24 8.410 8.410 8.713 -0.303 18531 11595 1 45 . 1 1 25 25 THR N N 25 117.400 117.400 115.555 1.845 18531 11596 1 45 . 1 1 25 25 THR HA H 25 3.670 3.670 4.016 -0.346 18531 11597 1 45 . 1 1 25 25 THR CA C 25 66.800 66.800 66.084 0.716 18531 11598 1 45 . 1 1 25 25 THR CB C 25 68.000 68.000 68.905 -0.905 18531 11599 1 45 . 1 1 25 25 THR H H 25 8.380 8.380 7.647 0.733 18531 11600 1 45 . 1 1 26 26 ALA N N 26 125.100 125.100 124.456 0.644 18531 11601 1 45 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.511 -0.321 18531 11602 1 45 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.896 0.104 18531 11603 1 45 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.501 -0.201 18531 11604 1 45 . 1 1 26 26 ALA H H 26 7.220 7.220 7.595 -0.375 18531 11605 1 45 . 1 1 27 27 GLU N N 27 117.400 117.400 117.480 -0.080 18531 11606 1 45 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.038 -1.448 18531 11607 1 45 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.677 0.023 18531 11608 1 45 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.442 -0.242 18531 11609 1 45 . 1 1 27 27 GLU H H 27 8.370 8.370 8.571 -0.201 18531 11610 1 45 . 1 1 28 28 LYS N N 28 116.300 116.300 118.571 -2.271 18531 11611 1 45 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.006 -0.336 18531 11612 1 45 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.323 1.277 18531 11613 1 45 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.637 -0.437 18531 11614 1 45 . 1 1 28 28 LYS H H 28 7.170 7.170 7.369 -0.199 18531 11615 1 45 . 1 1 29 29 ALA N N 29 122.000 122.000 122.647 -0.647 18531 11616 1 45 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.958 0.132 18531 11617 1 45 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.740 -0.041 18531 11618 1 45 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.154 -0.654 18531 11619 1 45 . 1 1 29 29 ALA H H 29 7.200 7.200 7.494 -0.294 18531 11620 1 45 . 1 1 30 30 PHE N N 30 119.600 119.600 117.070 2.530 18531 11621 1 45 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.326 0.454 18531 11622 1 45 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.722 -4.122 18531 11623 1 45 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.421 -1.021 18531 11624 1 45 . 1 1 30 30 PHE H H 30 8.610 8.610 8.375 0.235 18531 11625 1 45 . 1 1 31 31 LYS N N 31 122.800 122.800 118.602 4.198 18531 11626 1 45 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.002 0.088 18531 11627 1 45 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.688 1.012 18531 11628 1 45 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.564 0.036 18531 11629 1 45 . 1 1 31 31 LYS H H 31 9.030 9.030 7.830 1.200 18531 11630 1 45 . 1 1 32 32 GLN N N 32 119.600 119.600 117.352 2.248 18531 11631 1 45 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.263 -0.234 18531 11632 1 45 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.924 0.776 18531 11633 1 45 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.746 -0.646 18531 11634 1 45 . 1 1 32 32 GLN H H 32 7.510 7.510 7.651 -0.141 18531 11635 1 45 . 1 1 33 33 TYR N N 33 120.400 120.400 120.206 0.194 18531 11636 1 45 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.452 -0.202 18531 11637 1 45 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.591 2.209 18531 11638 1 45 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.602 -0.902 18531 11639 1 45 . 1 1 33 33 TYR H H 33 8.080 8.080 8.058 0.022 18531 11640 1 45 . 1 1 34 34 ALA N N 34 122.300 122.300 121.060 1.240 18531 11641 1 45 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.834 -0.054 18531 11642 1 45 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.971 0.129 18531 11643 1 45 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.434 -0.734 18531 11644 1 45 . 1 1 34 34 ALA H H 34 9.210 9.210 8.141 1.069 18531 11645 1 45 . 1 1 35 35 ASN N N 35 117.700 117.700 116.072 1.628 18531 11646 1 45 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.526 -0.066 18531 11647 1 45 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.601 1.399 18531 11648 1 45 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.340 0.660 18531 11649 1 45 . 1 1 35 35 ASN H H 35 8.390 8.390 8.257 0.133 18531 11650 1 45 . 1 1 36 36 ASP N N 36 121.100 121.100 119.318 1.782 18531 11651 1 45 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.643 -0.283 18531 11652 1 45 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.518 1.182 18531 11653 1 45 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.157 -1.157 18531 11654 1 45 . 1 1 36 36 ASP H H 36 8.830 8.830 8.024 0.806 18531 11655 1 45 . 1 1 37 37 ASN N N 37 115.200 115.200 116.379 -1.179 18531 11656 1 45 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.704 -0.094 18531 11657 1 45 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.945 0.755 18531 11658 1 45 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.022 0.978 18531 11659 1 45 . 1 1 37 37 ASN H H 37 7.390 7.390 7.748 -0.358 18531 11660 1 45 . 1 1 38 38 GLY N N 38 108.200 108.200 109.012 -0.812 18531 11661 1 45 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.708 0.692 18531 11662 1 45 . 1 1 38 38 GLY H H 38 7.800 7.800 7.549 0.251 18531 11663 1 45 . 1 1 39 39 VAL N N 39 120.800 120.800 119.773 1.027 18531 11664 1 45 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.549 -0.409 18531 11665 1 45 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.946 0.754 18531 11666 1 45 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.867 0.433 18531 11667 1 45 . 1 1 39 39 VAL H H 39 8.120 8.120 7.977 0.143 18531 11668 1 45 . 1 1 40 40 ASP N N 40 128.000 128.000 125.340 2.660 18531 11669 1 45 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.892 -0.002 18531 11670 1 45 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.557 -0.757 18531 11671 1 45 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.343 -1.243 18531 11672 1 45 . 1 1 40 40 ASP H H 40 8.770 8.770 8.433 0.337 18531 11673 1 45 . 1 1 41 41 GLY N N 41 107.100 107.100 111.134 -4.034 18531 11674 1 45 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.545 -0.145 18531 11675 1 45 . 1 1 41 41 GLY H H 41 7.910 7.910 8.236 -0.326 18531 11676 1 45 . 1 1 42 42 VAL N N 42 120.300 120.300 122.204 -1.904 18531 11677 1 45 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.276 0.104 18531 11678 1 45 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.465 -0.365 18531 11679 1 45 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.060 0.340 18531 11680 1 45 . 1 1 42 42 VAL H H 42 8.250 8.250 8.409 -0.159 18531 11681 1 45 . 1 1 43 43 TRP N N 43 130.700 130.700 125.774 4.926 18531 11682 1 45 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.291 0.069 18531 11683 1 45 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.023 1.577 18531 11684 1 45 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.792 -0.592 18531 11685 1 45 . 1 1 43 43 TRP H H 43 9.360 9.360 8.358 1.002 18531 11686 1 45 . 1 1 44 44 THR N N 44 114.500 114.500 115.096 -0.596 18531 11687 1 45 . 1 1 44 44 THR HA H 44 4.830 4.830 4.804 0.026 18531 11688 1 45 . 1 1 44 44 THR CA C 44 60.300 60.300 60.416 -0.116 18531 11689 1 45 . 1 1 44 44 THR CB C 44 72.100 72.100 71.024 1.076 18531 11690 1 45 . 1 1 44 44 THR H H 44 9.400 9.400 8.106 1.294 18531 11691 1 45 . 1 1 45 45 TYR N N 45 120.100 120.100 120.358 -0.258 18531 11692 1 45 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.975 -0.005 18531 11693 1 45 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.170 0.830 18531 11694 1 45 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.667 0.933 18531 11695 1 45 . 1 1 45 45 TYR H H 45 8.580 8.580 8.124 0.456 18531 11696 1 45 . 1 1 46 46 ASP N N 46 128.300 128.300 123.475 4.825 18531 11697 1 45 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.415 0.165 18531 11698 1 45 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.022 -0.122 18531 11699 1 45 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.588 -0.488 18531 11700 1 45 . 1 1 46 46 ASP H H 46 7.580 7.580 8.472 -0.892 18531 11701 1 45 . 1 1 47 47 ASP N N 47 124.800 124.800 126.889 -2.089 18531 11702 1 45 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.801 -0.691 18531 11703 1 45 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.346 1.154 18531 11704 1 45 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.063 1.037 18531 11705 1 45 . 1 1 47 47 ASP H H 47 8.590 8.590 8.429 0.161 18531 11706 1 45 . 1 1 48 48 ALA N N 48 119.700 119.700 121.840 -2.140 18531 11707 1 45 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.437 -0.347 18531 11708 1 45 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.045 0.955 18531 11709 1 45 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.087 -1.787 18531 11710 1 45 . 1 1 48 48 ALA H H 48 8.340 8.340 7.988 0.352 18531 11711 1 45 . 1 1 49 49 THR N N 49 103.200 103.200 114.049 -10.849 18531 11712 1 45 . 1 1 49 49 THR HA H 49 4.390 4.390 4.516 -0.126 18531 11713 1 45 . 1 1 49 49 THR CA C 49 60.200 60.200 61.129 -0.929 18531 11714 1 45 . 1 1 49 49 THR CB C 49 70.000 70.000 69.474 0.526 18531 11715 1 45 . 1 1 49 49 THR H H 49 7.000 7.000 8.184 -1.184 18531 11716 1 45 . 1 1 50 50 LYS N N 50 123.100 123.100 117.258 5.842 18531 11717 1 45 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.317 -0.127 18531 11718 1 45 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.419 -0.819 18531 11719 1 45 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.667 -1.067 18531 11720 1 45 . 1 1 50 50 LYS H H 50 7.860 7.860 8.067 -0.207 18531 11721 1 45 . 1 1 51 51 THR N N 51 111.200 111.200 115.427 -4.227 18531 11722 1 45 . 1 1 51 51 THR HA H 51 5.490 5.490 4.950 0.540 18531 11723 1 45 . 1 1 51 51 THR CA C 51 62.300 62.300 62.176 0.124 18531 11724 1 45 . 1 1 51 51 THR CB C 51 72.100 72.100 71.618 0.481 18531 11725 1 45 . 1 1 51 51 THR H H 51 7.390 7.390 7.715 -0.325 18531 11726 1 45 . 1 1 52 52 PHE N N 52 131.000 131.000 126.870 4.130 18531 11727 1 45 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.233 0.397 18531 11728 1 45 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.350 0.950 18531 11729 1 45 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.757 -0.157 18531 11730 1 45 . 1 1 52 52 PHE H H 52 10.390 10.390 9.149 1.242 18531 11731 1 45 . 1 1 53 53 THR N N 53 117.400 117.400 119.355 -1.955 18531 11732 1 45 . 1 1 53 53 THR HA H 53 5.270 5.270 5.177 0.093 18531 11733 1 45 . 1 1 53 53 THR CA C 53 61.200 61.200 61.342 -0.142 18531 11734 1 45 . 1 1 53 53 THR CB C 53 71.000 71.000 71.103 -0.103 18531 11735 1 45 . 1 1 53 53 THR H H 53 9.180 9.180 8.913 0.267 18531 11736 1 45 . 1 1 54 54 VAL N N 54 123.000 123.000 126.773 -3.773 18531 11737 1 45 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.304 0.156 18531 11738 1 45 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.766 -2.666 18531 11739 1 45 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.152 -0.852 18531 11740 1 45 . 1 1 54 54 VAL H H 54 8.280 8.280 9.018 -0.738 18531 11741 1 45 . 1 1 55 55 THR N N 55 123.900 123.900 123.883 0.017 18531 11742 1 45 . 1 1 55 55 THR HA H 55 4.700 4.700 4.456 0.244 18531 11743 1 45 . 1 1 55 55 THR CA C 55 61.200 61.200 62.221 -1.021 18531 11744 1 45 . 1 1 55 55 THR CB C 55 70.700 70.700 69.659 1.041 18531 11745 1 45 . 1 1 55 55 THR H H 55 8.320 8.320 8.051 0.269 18531 11746 1 46 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.958 0.092 18531 11747 1 46 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.462 1.138 18531 11748 1 46 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.017 0.683 18531 11749 1 46 . 1 1 2 2 GLN H H 2 8.410 8.410 8.071 0.339 18531 11750 1 46 . 1 1 3 3 TYR N N 3 124.000 124.000 123.062 0.938 18531 11751 1 46 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.964 0.396 18531 11752 1 46 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.851 0.249 18531 11753 1 46 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.079 1.521 18531 11754 1 46 . 1 1 3 3 TYR H H 3 9.070 9.070 8.990 0.080 18531 11755 1 46 . 1 1 4 4 LYS N N 4 122.500 122.500 121.924 0.576 18531 11756 1 46 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.967 0.253 18531 11757 1 46 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.860 0.140 18531 11758 1 46 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.524 -0.524 18531 11759 1 46 . 1 1 4 4 LYS H H 4 9.100 9.100 8.579 0.521 18531 11760 1 46 . 1 1 5 5 LEU N N 5 126.400 126.400 127.307 -0.907 18531 11761 1 46 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.531 0.439 18531 11762 1 46 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.320 -0.520 18531 11763 1 46 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.627 -1.027 18531 11764 1 46 . 1 1 5 5 LEU H H 5 8.620 8.620 8.460 0.160 18531 11765 1 46 . 1 1 6 6 VAL N N 6 127.000 127.000 127.751 -0.751 18531 11766 1 46 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.182 -0.022 18531 11767 1 46 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.338 0.962 18531 11768 1 46 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.035 0.665 18531 11769 1 46 . 1 1 6 6 VAL H H 6 9.190 9.190 8.534 0.656 18531 11770 1 46 . 1 1 7 7 ILE N N 7 125.400 125.400 128.858 -3.458 18531 11771 1 46 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.489 -0.399 18531 11772 1 46 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.763 -0.063 18531 11773 1 46 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.337 -0.337 18531 11774 1 46 . 1 1 7 7 ILE H H 7 8.800 8.800 7.737 1.063 18531 11775 1 46 . 1 1 8 8 ASN N N 8 128.900 128.900 124.249 4.651 18531 11776 1 46 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.997 0.283 18531 11777 1 46 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.539 -1.739 18531 11778 1 46 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.776 -1.676 18531 11779 1 46 . 1 1 8 8 ASN H H 8 8.990 8.990 8.911 0.079 18531 11780 1 46 . 1 1 9 9 GLY N N 9 110.200 110.200 107.583 2.617 18531 11781 1 46 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.802 0.898 18531 11782 1 46 . 1 1 9 9 GLY H H 9 7.920 7.920 8.342 -0.422 18531 11783 1 46 . 1 1 10 10 LYS N N 10 120.700 120.700 121.714 -1.014 18531 11784 1 46 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.185 -0.125 18531 11785 1 46 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.167 0.033 18531 11786 1 46 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.729 0.171 18531 11787 1 46 . 1 1 10 10 LYS H H 10 9.520 9.520 8.788 0.732 18531 11788 1 46 . 1 1 11 11 THR N N 11 108.900 108.900 109.545 -0.645 18531 11789 1 46 . 1 1 11 11 THR HA H 11 4.360 4.360 4.468 -0.108 18531 11790 1 46 . 1 1 11 11 THR CA C 11 62.000 62.000 61.512 0.488 18531 11791 1 46 . 1 1 11 11 THR CB C 11 69.800 69.800 69.652 0.148 18531 11792 1 46 . 1 1 11 11 THR H H 11 8.790 8.790 7.948 0.842 18531 11793 1 46 . 1 1 12 12 LEU N N 12 125.700 125.700 124.067 1.633 18531 11794 1 46 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.523 -0.083 18531 11795 1 46 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.551 -0.551 18531 11796 1 46 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.309 -2.010 18531 11797 1 46 . 1 1 12 12 LEU H H 12 7.580 7.580 7.064 0.516 18531 11798 1 46 . 1 1 13 13 LYS N N 13 123.500 123.500 124.053 -0.553 18531 11799 1 46 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.648 0.472 18531 11800 1 46 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.138 -2.238 18531 11801 1 46 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.293 1.507 18531 11802 1 46 . 1 1 13 13 LYS H H 13 8.140 8.140 8.504 -0.364 18531 11803 1 46 . 1 1 14 14 GLY N N 14 109.100 109.100 109.164 -0.064 18531 11804 1 46 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.286 0.914 18531 11805 1 46 . 1 1 14 14 GLY H H 14 8.340 8.340 8.000 0.340 18531 11806 1 46 . 1 1 15 15 GLU N N 15 118.200 118.200 119.197 -0.997 18531 11807 1 46 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.916 0.684 18531 11808 1 46 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.491 -0.991 18531 11809 1 46 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.815 0.985 18531 11810 1 46 . 1 1 15 15 GLU H H 15 8.390 8.390 8.439 -0.049 18531 11811 1 46 . 1 1 16 16 THR N N 16 115.600 115.600 117.893 -2.293 18531 11812 1 46 . 1 1 16 16 THR HA H 16 4.730 4.730 4.582 0.148 18531 11813 1 46 . 1 1 16 16 THR CA C 16 60.600 60.600 61.765 -1.165 18531 11814 1 46 . 1 1 16 16 THR CB C 16 69.500 69.500 69.301 0.199 18531 11815 1 46 . 1 1 16 16 THR H H 16 8.820 8.820 8.408 0.412 18531 11816 1 46 . 1 1 17 17 THR N N 17 111.800 111.800 120.059 -8.259 18531 11817 1 46 . 1 1 17 17 THR HA H 17 5.790 5.790 5.607 0.183 18531 11818 1 46 . 1 1 17 17 THR CA C 17 59.800 59.800 60.448 -0.648 18531 11819 1 46 . 1 1 17 17 THR CB C 17 73.100 73.100 70.640 2.460 18531 11820 1 46 . 1 1 17 17 THR H H 17 8.140 8.140 8.321 -0.181 18531 11821 1 46 . 1 1 18 18 THR N N 18 115.100 115.100 118.382 -3.282 18531 11822 1 46 . 1 1 18 18 THR HA H 18 4.640 4.640 4.722 -0.082 18531 11823 1 46 . 1 1 18 18 THR CA C 18 61.900 61.900 61.125 0.775 18531 11824 1 46 . 1 1 18 18 THR CB C 18 70.000 70.000 69.978 0.022 18531 11825 1 46 . 1 1 18 18 THR H H 18 8.930 8.930 9.346 -0.416 18531 11826 1 46 . 1 1 19 19 LYS N N 19 124.300 124.300 119.878 4.422 18531 11827 1 46 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.217 0.113 18531 11828 1 46 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.749 0.251 18531 11829 1 46 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.995 -2.195 18531 11830 1 46 . 1 1 19 19 LYS H H 19 7.950 7.950 8.275 -0.325 18531 11831 1 46 . 1 1 20 20 ALA N N 20 124.600 124.600 124.982 -0.382 18531 11832 1 46 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.690 0.090 18531 11833 1 46 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.753 -0.853 18531 11834 1 46 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.894 1.906 18531 11835 1 46 . 1 1 20 20 ALA H H 20 9.110 9.110 8.082 1.028 18531 11836 1 46 . 1 1 21 21 VAL N N 21 115.300 115.300 116.851 -1.551 18531 11837 1 46 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.920 0.190 18531 11838 1 46 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.071 -1.771 18531 11839 1 46 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.794 0.406 18531 11840 1 46 . 1 1 21 21 VAL H H 21 8.480 8.480 8.382 0.098 18531 11841 1 46 . 1 1 22 22 ASP N N 22 115.200 115.200 115.062 0.138 18531 11842 1 46 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.863 -0.153 18531 11843 1 46 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.282 0.118 18531 11844 1 46 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.349 -0.149 18531 11845 1 46 . 1 1 22 22 ASP H H 22 7.310 7.310 7.771 -0.461 18531 11846 1 46 . 1 1 23 23 ALA N N 23 121.000 121.000 121.606 -0.606 18531 11847 1 46 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.794 -0.454 18531 11848 1 46 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.435 -0.535 18531 11849 1 46 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.606 -1.106 18531 11850 1 46 . 1 1 23 23 ALA H H 23 8.370 8.370 8.711 -0.341 18531 11851 1 46 . 1 1 24 24 GLU N N 24 118.900 118.900 118.791 0.109 18531 11852 1 46 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.913 -0.053 18531 11853 1 46 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.561 0.139 18531 11854 1 46 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.000 0.100 18531 11855 1 46 . 1 1 24 24 GLU H H 24 8.410 8.410 8.699 -0.289 18531 11856 1 46 . 1 1 25 25 THR N N 25 117.400 117.400 116.034 1.366 18531 11857 1 46 . 1 1 25 25 THR HA H 25 3.670 3.670 3.973 -0.303 18531 11858 1 46 . 1 1 25 25 THR CA C 25 66.800 66.800 66.409 0.391 18531 11859 1 46 . 1 1 25 25 THR CB C 25 68.000 68.000 68.488 -0.488 18531 11860 1 46 . 1 1 25 25 THR H H 25 8.380 8.380 8.413 -0.033 18531 11861 1 46 . 1 1 26 26 ALA N N 26 125.100 125.100 123.987 1.113 18531 11862 1 46 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.745 -0.555 18531 11863 1 46 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.933 0.067 18531 11864 1 46 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.925 -0.625 18531 11865 1 46 . 1 1 26 26 ALA H H 26 7.220 7.220 7.431 -0.211 18531 11866 1 46 . 1 1 27 27 GLU N N 27 117.400 117.400 119.554 -2.154 18531 11867 1 46 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.653 -1.063 18531 11868 1 46 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.028 -0.328 18531 11869 1 46 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.524 -0.324 18531 11870 1 46 . 1 1 27 27 GLU H H 27 8.370 8.370 8.733 -0.363 18531 11871 1 46 . 1 1 28 28 LYS N N 28 116.300 116.300 118.867 -2.567 18531 11872 1 46 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.884 -0.214 18531 11873 1 46 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.089 0.511 18531 11874 1 46 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.323 -0.123 18531 11875 1 46 . 1 1 28 28 LYS H H 28 7.170 7.170 7.433 -0.263 18531 11876 1 46 . 1 1 29 29 ALA N N 29 122.000 122.000 122.025 -0.025 18531 11877 1 46 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.031 0.059 18531 11878 1 46 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.749 -0.049 18531 11879 1 46 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.014 -0.514 18531 11880 1 46 . 1 1 29 29 ALA H H 29 7.200 7.200 7.388 -0.188 18531 11881 1 46 . 1 1 30 30 PHE N N 30 119.600 119.600 118.856 0.744 18531 11882 1 46 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.264 0.516 18531 11883 1 46 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.188 -3.588 18531 11884 1 46 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.320 -0.920 18531 11885 1 46 . 1 1 30 30 PHE H H 30 8.610 8.610 8.434 0.176 18531 11886 1 46 . 1 1 31 31 LYS N N 31 122.800 122.800 119.389 3.411 18531 11887 1 46 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.065 0.025 18531 11888 1 46 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.132 0.568 18531 11889 1 46 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.810 -0.210 18531 11890 1 46 . 1 1 31 31 LYS H H 31 9.030 9.030 8.335 0.695 18531 11891 1 46 . 1 1 32 32 GLN N N 32 119.600 119.600 116.856 2.744 18531 11892 1 46 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.251 -0.221 18531 11893 1 46 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.551 1.149 18531 11894 1 46 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.188 -1.088 18531 11895 1 46 . 1 1 32 32 GLN H H 32 7.510 7.510 7.662 -0.152 18531 11896 1 46 . 1 1 33 33 TYR N N 33 120.400 120.400 120.642 -0.242 18531 11897 1 46 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.396 -0.146 18531 11898 1 46 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.580 1.220 18531 11899 1 46 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.533 -0.833 18531 11900 1 46 . 1 1 33 33 TYR H H 33 8.080 8.080 8.234 -0.154 18531 11901 1 46 . 1 1 34 34 ALA N N 34 122.300 122.300 120.933 1.367 18531 11902 1 46 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.831 -0.051 18531 11903 1 46 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.456 0.643 18531 11904 1 46 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.262 -0.562 18531 11905 1 46 . 1 1 34 34 ALA H H 34 9.210 9.210 8.112 1.098 18531 11906 1 46 . 1 1 35 35 ASN N N 35 117.700 117.700 115.839 1.861 18531 11907 1 46 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.483 -0.023 18531 11908 1 46 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.656 1.344 18531 11909 1 46 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.291 0.709 18531 11910 1 46 . 1 1 35 35 ASN H H 35 8.390 8.390 8.070 0.320 18531 11911 1 46 . 1 1 36 36 ASP N N 36 121.100 121.100 117.267 3.833 18531 11912 1 46 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.590 -0.230 18531 11913 1 46 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.849 1.851 18531 11914 1 46 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.327 -1.327 18531 11915 1 46 . 1 1 36 36 ASP H H 36 8.830 8.830 7.846 0.984 18531 11916 1 46 . 1 1 37 37 ASN N N 37 115.200 115.200 117.093 -1.893 18531 11917 1 46 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.774 -0.164 18531 11918 1 46 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.590 1.110 18531 11919 1 46 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.592 0.408 18531 11920 1 46 . 1 1 37 37 ASN H H 37 7.390 7.390 7.841 -0.451 18531 11921 1 46 . 1 1 38 38 GLY N N 38 108.200 108.200 107.848 0.352 18531 11922 1 46 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.552 0.848 18531 11923 1 46 . 1 1 38 38 GLY H H 38 7.800 7.800 7.792 0.008 18531 11924 1 46 . 1 1 39 39 VAL N N 39 120.800 120.800 119.219 1.581 18531 11925 1 46 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.419 -0.279 18531 11926 1 46 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.904 0.796 18531 11927 1 46 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.580 -1.280 18531 11928 1 46 . 1 1 39 39 VAL H H 39 8.120 8.120 7.990 0.130 18531 11929 1 46 . 1 1 40 40 ASP N N 40 128.000 128.000 124.747 3.253 18531 11930 1 46 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.914 -0.024 18531 11931 1 46 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.290 -1.490 18531 11932 1 46 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.587 -1.487 18531 11933 1 46 . 1 1 40 40 ASP H H 40 8.770 8.770 8.785 -0.015 18531 11934 1 46 . 1 1 41 41 GLY N N 41 107.100 107.100 112.006 -4.906 18531 11935 1 46 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.637 -0.237 18531 11936 1 46 . 1 1 41 41 GLY H H 41 7.910 7.910 8.303 -0.393 18531 11937 1 46 . 1 1 42 42 VAL N N 42 120.300 120.300 122.152 -1.852 18531 11938 1 46 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.248 0.132 18531 11939 1 46 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.583 -0.483 18531 11940 1 46 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.157 0.242 18531 11941 1 46 . 1 1 42 42 VAL H H 42 8.250 8.250 8.508 -0.258 18531 11942 1 46 . 1 1 43 43 TRP N N 43 130.700 130.700 125.073 5.627 18531 11943 1 46 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.055 0.305 18531 11944 1 46 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.078 1.522 18531 11945 1 46 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.417 -0.217 18531 11946 1 46 . 1 1 43 43 TRP H H 43 9.360 9.360 8.531 0.829 18531 11947 1 46 . 1 1 44 44 THR N N 44 114.500 114.500 115.075 -0.575 18531 11948 1 46 . 1 1 44 44 THR HA H 44 4.830 4.830 4.634 0.196 18531 11949 1 46 . 1 1 44 44 THR CA C 44 60.300 60.300 61.024 -0.724 18531 11950 1 46 . 1 1 44 44 THR CB C 44 72.100 72.100 70.748 1.352 18531 11951 1 46 . 1 1 44 44 THR H H 44 9.400 9.400 8.192 1.208 18531 11952 1 46 . 1 1 45 45 TYR N N 45 120.100 120.100 120.969 -0.869 18531 11953 1 46 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.688 0.282 18531 11954 1 46 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.414 -0.414 18531 11955 1 46 . 1 1 45 45 TYR CB C 45 41.600 41.600 42.056 -0.456 18531 11956 1 46 . 1 1 45 45 TYR H H 45 8.580 8.580 8.260 0.320 18531 11957 1 46 . 1 1 46 46 ASP N N 46 128.300 128.300 125.673 2.627 18531 11958 1 46 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.494 0.086 18531 11959 1 46 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.146 -0.246 18531 11960 1 46 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.874 -0.774 18531 11961 1 46 . 1 1 46 46 ASP H H 46 7.580 7.580 7.649 -0.069 18531 11962 1 46 . 1 1 47 47 ASP N N 47 124.800 124.800 126.142 -1.342 18531 11963 1 46 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.327 -0.217 18531 11964 1 46 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.627 1.873 18531 11965 1 46 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.647 1.453 18531 11966 1 46 . 1 1 47 47 ASP H H 47 8.590 8.590 8.487 0.103 18531 11967 1 46 . 1 1 48 48 ALA N N 48 119.700 119.700 122.595 -2.895 18531 11968 1 46 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.418 -0.328 18531 11969 1 46 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.753 1.247 18531 11970 1 46 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.097 -1.797 18531 11971 1 46 . 1 1 48 48 ALA H H 48 8.340 8.340 8.228 0.112 18531 11972 1 46 . 1 1 49 49 THR N N 49 103.200 103.200 114.332 -11.132 18531 11973 1 46 . 1 1 49 49 THR HA H 49 4.390 4.390 4.391 -0.001 18531 11974 1 46 . 1 1 49 49 THR CA C 49 60.200 60.200 61.295 -1.095 18531 11975 1 46 . 1 1 49 49 THR CB C 49 70.000 70.000 69.235 0.765 18531 11976 1 46 . 1 1 49 49 THR H H 49 7.000 7.000 7.897 -0.897 18531 11977 1 46 . 1 1 50 50 LYS N N 50 123.100 123.100 117.066 6.034 18531 11978 1 46 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.968 0.222 18531 11979 1 46 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.133 -0.533 18531 11980 1 46 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.672 -1.072 18531 11981 1 46 . 1 1 50 50 LYS H H 50 7.860 7.860 7.808 0.052 18531 11982 1 46 . 1 1 51 51 THR N N 51 111.200 111.200 114.132 -2.932 18531 11983 1 46 . 1 1 51 51 THR HA H 51 5.490 5.490 4.883 0.607 18531 11984 1 46 . 1 1 51 51 THR CA C 51 62.300 62.300 61.543 0.757 18531 11985 1 46 . 1 1 51 51 THR CB C 51 72.100 72.100 71.811 0.288 18531 11986 1 46 . 1 1 51 51 THR H H 51 7.390 7.390 7.296 0.094 18531 11987 1 46 . 1 1 52 52 PHE N N 52 131.000 131.000 125.946 5.054 18531 11988 1 46 . 1 1 52 52 PHE HA H 52 5.630 5.630 4.996 0.634 18531 11989 1 46 . 1 1 52 52 PHE CA C 52 57.300 57.300 59.671 -2.371 18531 11990 1 46 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.212 1.388 18531 11991 1 46 . 1 1 52 52 PHE H H 52 10.390 10.390 8.079 2.311 18531 11992 1 46 . 1 1 53 53 THR N N 53 117.400 117.400 113.656 3.744 18531 11993 1 46 . 1 1 53 53 THR HA H 53 5.270 5.270 4.060 1.210 18531 11994 1 46 . 1 1 53 53 THR CA C 53 61.200 61.200 63.114 -1.914 18531 11995 1 46 . 1 1 53 53 THR CB C 53 71.000 71.000 68.646 2.354 18531 11996 1 46 . 1 1 53 53 THR H H 53 9.180 9.180 8.134 1.046 18531 11997 1 46 . 1 1 54 54 VAL N N 54 123.000 123.000 126.277 -3.277 18531 11998 1 46 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.520 -0.060 18531 11999 1 46 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.289 -2.189 18531 12000 1 46 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.944 -1.644 18531 12001 1 46 . 1 1 54 54 VAL H H 54 8.280 8.280 8.855 -0.575 18531 12002 1 46 . 1 1 55 55 THR N N 55 123.900 123.900 124.165 -0.265 18531 12003 1 46 . 1 1 55 55 THR HA H 55 4.700 4.700 4.571 0.129 18531 12004 1 46 . 1 1 55 55 THR CA C 55 61.200 61.200 60.944 0.256 18531 12005 1 46 . 1 1 55 55 THR CB C 55 70.700 70.700 69.839 0.861 18531 12006 1 46 . 1 1 55 55 THR H H 55 8.320 8.320 8.137 0.183 18531 12007 1 47 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.571 0.479 18531 12008 1 47 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.883 -0.283 18531 12009 1 47 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.426 -0.726 18531 12010 1 47 . 1 1 2 2 GLN H H 2 8.410 8.410 7.850 0.560 18531 12011 1 47 . 1 1 3 3 TYR N N 3 124.000 124.000 122.862 1.138 18531 12012 1 47 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.046 0.314 18531 12013 1 47 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.609 0.491 18531 12014 1 47 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.435 2.164 18531 12015 1 47 . 1 1 3 3 TYR H H 3 9.070 9.070 8.411 0.659 18531 12016 1 47 . 1 1 4 4 LYS N N 4 122.500 122.500 121.407 1.093 18531 12017 1 47 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.678 0.542 18531 12018 1 47 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.746 0.254 18531 12019 1 47 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.605 1.395 18531 12020 1 47 . 1 1 4 4 LYS H H 4 9.100 9.100 8.510 0.590 18531 12021 1 47 . 1 1 5 5 LEU N N 5 126.400 126.400 129.726 -3.326 18531 12022 1 47 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.973 -0.003 18531 12023 1 47 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.402 -0.602 18531 12024 1 47 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.219 -0.619 18531 12025 1 47 . 1 1 5 5 LEU H H 5 8.620 8.620 8.318 0.302 18531 12026 1 47 . 1 1 6 6 VAL N N 6 127.000 127.000 127.170 -0.170 18531 12027 1 47 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.502 -0.342 18531 12028 1 47 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.984 0.316 18531 12029 1 47 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.776 -0.076 18531 12030 1 47 . 1 1 6 6 VAL H H 6 9.190 9.190 8.888 0.302 18531 12031 1 47 . 1 1 7 7 ILE N N 7 125.400 125.400 127.564 -2.164 18531 12032 1 47 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.403 -0.313 18531 12033 1 47 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.383 0.317 18531 12034 1 47 . 1 1 7 7 ILE CB C 7 39.000 39.000 40.252 -1.252 18531 12035 1 47 . 1 1 7 7 ILE H H 7 8.800 8.800 7.788 1.012 18531 12036 1 47 . 1 1 8 8 ASN N N 8 128.900 128.900 125.433 3.467 18531 12037 1 47 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.017 0.263 18531 12038 1 47 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.413 -1.613 18531 12039 1 47 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.439 -1.339 18531 12040 1 47 . 1 1 8 8 ASN H H 8 8.990 8.990 8.803 0.187 18531 12041 1 47 . 1 1 9 9 GLY N N 9 110.200 110.200 107.122 3.078 18531 12042 1 47 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.599 1.101 18531 12043 1 47 . 1 1 9 9 GLY H H 9 7.920 7.920 7.578 0.342 18531 12044 1 47 . 1 1 10 10 LYS N N 10 120.700 120.700 120.884 -0.184 18531 12045 1 47 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.075 -0.015 18531 12046 1 47 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.961 0.239 18531 12047 1 47 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.473 0.427 18531 12048 1 47 . 1 1 10 10 LYS H H 10 9.520 9.520 8.558 0.962 18531 12049 1 47 . 1 1 11 11 THR N N 11 108.900 108.900 109.596 -0.696 18531 12050 1 47 . 1 1 11 11 THR HA H 11 4.360 4.360 4.281 0.079 18531 12051 1 47 . 1 1 11 11 THR CA C 11 62.000 62.000 61.823 0.177 18531 12052 1 47 . 1 1 11 11 THR CB C 11 69.800 69.800 69.355 0.445 18531 12053 1 47 . 1 1 11 11 THR H H 11 8.790 8.790 7.930 0.860 18531 12054 1 47 . 1 1 12 12 LEU N N 12 125.700 125.700 123.838 1.862 18531 12055 1 47 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.438 0.002 18531 12056 1 47 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.126 -0.126 18531 12057 1 47 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.928 0.372 18531 12058 1 47 . 1 1 12 12 LEU H H 12 7.580 7.580 7.870 -0.290 18531 12059 1 47 . 1 1 13 13 LYS N N 13 123.500 123.500 125.602 -2.102 18531 12060 1 47 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.570 0.550 18531 12061 1 47 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.421 -2.521 18531 12062 1 47 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.433 1.367 18531 12063 1 47 . 1 1 13 13 LYS H H 13 8.140 8.140 8.540 -0.400 18531 12064 1 47 . 1 1 14 14 GLY N N 14 109.100 109.100 109.386 -0.286 18531 12065 1 47 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.127 1.073 18531 12066 1 47 . 1 1 14 14 GLY H H 14 8.340 8.340 8.009 0.331 18531 12067 1 47 . 1 1 15 15 GLU N N 15 118.200 118.200 119.437 -1.237 18531 12068 1 47 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.124 0.476 18531 12069 1 47 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.741 -0.241 18531 12070 1 47 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.926 0.874 18531 12071 1 47 . 1 1 15 15 GLU H H 15 8.390 8.390 8.468 -0.078 18531 12072 1 47 . 1 1 16 16 THR N N 16 115.600 115.600 116.993 -1.393 18531 12073 1 47 . 1 1 16 16 THR HA H 16 4.730 4.730 4.512 0.218 18531 12074 1 47 . 1 1 16 16 THR CA C 16 60.600 60.600 61.865 -1.266 18531 12075 1 47 . 1 1 16 16 THR CB C 16 69.500 69.500 69.829 -0.329 18531 12076 1 47 . 1 1 16 16 THR H H 16 8.820 8.820 8.321 0.499 18531 12077 1 47 . 1 1 17 17 THR N N 17 111.800 111.800 117.331 -5.531 18531 12078 1 47 . 1 1 17 17 THR HA H 17 5.790 5.790 5.190 0.600 18531 12079 1 47 . 1 1 17 17 THR CA C 17 59.800 59.800 60.212 -0.412 18531 12080 1 47 . 1 1 17 17 THR CB C 17 73.100 73.100 70.905 2.195 18531 12081 1 47 . 1 1 17 17 THR H H 17 8.140 8.140 8.294 -0.154 18531 12082 1 47 . 1 1 18 18 THR N N 18 115.100 115.100 117.381 -2.281 18531 12083 1 47 . 1 1 18 18 THR HA H 18 4.640 4.640 4.611 0.029 18531 12084 1 47 . 1 1 18 18 THR CA C 18 61.900 61.900 61.615 0.285 18531 12085 1 47 . 1 1 18 18 THR CB C 18 70.000 70.000 69.955 0.045 18531 12086 1 47 . 1 1 18 18 THR H H 18 8.930 8.930 8.491 0.439 18531 12087 1 47 . 1 1 19 19 LYS N N 19 124.300 124.300 120.785 3.515 18531 12088 1 47 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.762 0.568 18531 12089 1 47 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.277 -0.277 18531 12090 1 47 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.619 0.181 18531 12091 1 47 . 1 1 19 19 LYS H H 19 7.950 7.950 8.353 -0.403 18531 12092 1 47 . 1 1 20 20 ALA N N 20 124.600 124.600 126.309 -1.709 18531 12093 1 47 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.644 0.136 18531 12094 1 47 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.627 -0.727 18531 12095 1 47 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.131 2.669 18531 12096 1 47 . 1 1 20 20 ALA H H 20 9.110 9.110 8.166 0.944 18531 12097 1 47 . 1 1 21 21 VAL N N 21 115.300 115.300 118.198 -2.898 18531 12098 1 47 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.891 0.219 18531 12099 1 47 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.504 -1.204 18531 12100 1 47 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.155 0.045 18531 12101 1 47 . 1 1 21 21 VAL H H 21 8.480 8.480 8.543 -0.063 18531 12102 1 47 . 1 1 22 22 ASP N N 22 115.200 115.200 113.496 1.704 18531 12103 1 47 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531 12104 1 47 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.636 -0.236 18531 12105 1 47 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.973 0.227 18531 12106 1 47 . 1 1 22 22 ASP H H 22 7.310 7.310 7.579 -0.269 18531 12107 1 47 . 1 1 23 23 ALA N N 23 121.000 121.000 122.001 -1.001 18531 12108 1 47 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.517 -0.177 18531 12109 1 47 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.983 -0.083 18531 12110 1 47 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.296 -0.796 18531 12111 1 47 . 1 1 23 23 ALA H H 23 8.370 8.370 8.843 -0.473 18531 12112 1 47 . 1 1 24 24 GLU N N 24 118.900 118.900 118.976 -0.076 18531 12113 1 47 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.933 -0.073 18531 12114 1 47 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.435 0.265 18531 12115 1 47 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.120 -0.020 18531 12116 1 47 . 1 1 24 24 GLU H H 24 8.410 8.410 8.266 0.144 18531 12117 1 47 . 1 1 25 25 THR N N 25 117.400 117.400 113.543 3.857 18531 12118 1 47 . 1 1 25 25 THR HA H 25 3.670 3.670 4.149 -0.479 18531 12119 1 47 . 1 1 25 25 THR CA C 25 66.800 66.800 63.619 3.181 18531 12120 1 47 . 1 1 25 25 THR CB C 25 68.000 68.000 68.764 -0.764 18531 12121 1 47 . 1 1 25 25 THR H H 25 8.380 8.380 7.873 0.507 18531 12122 1 47 . 1 1 26 26 ALA N N 26 125.100 125.100 124.452 0.648 18531 12123 1 47 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.593 -0.403 18531 12124 1 47 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.675 0.325 18531 12125 1 47 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.583 -0.283 18531 12126 1 47 . 1 1 26 26 ALA H H 26 7.220 7.220 8.157 -0.937 18531 12127 1 47 . 1 1 27 27 GLU N N 27 117.400 117.400 118.331 -0.931 18531 12128 1 47 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.592 -1.002 18531 12129 1 47 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.352 0.347 18531 12130 1 47 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.349 -0.149 18531 12131 1 47 . 1 1 27 27 GLU H H 27 8.370 8.370 8.063 0.307 18531 12132 1 47 . 1 1 28 28 LYS N N 28 116.300 116.300 118.303 -2.003 18531 12133 1 47 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.850 -0.180 18531 12134 1 47 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.891 0.709 18531 12135 1 47 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.170 0.030 18531 12136 1 47 . 1 1 28 28 LYS H H 28 7.170 7.170 7.579 -0.409 18531 12137 1 47 . 1 1 29 29 ALA N N 29 122.000 122.000 120.692 1.308 18531 12138 1 47 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.004 0.086 18531 12139 1 47 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.526 0.174 18531 12140 1 47 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.972 -0.472 18531 12141 1 47 . 1 1 29 29 ALA H H 29 7.200 7.200 7.321 -0.121 18531 12142 1 47 . 1 1 30 30 PHE N N 30 119.600 119.600 117.120 2.480 18531 12143 1 47 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.381 0.399 18531 12144 1 47 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.093 -2.493 18531 12145 1 47 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.208 -0.808 18531 12146 1 47 . 1 1 30 30 PHE H H 30 8.610 8.610 7.129 1.481 18531 12147 1 47 . 1 1 31 31 LYS N N 31 122.800 122.800 117.871 4.929 18531 12148 1 47 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.921 0.169 18531 12149 1 47 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.135 0.565 18531 12150 1 47 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.559 0.041 18531 12151 1 47 . 1 1 31 31 LYS H H 31 9.030 9.030 8.055 0.975 18531 12152 1 47 . 1 1 32 32 GLN N N 32 119.600 119.600 117.479 2.121 18531 12153 1 47 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.215 -0.185 18531 12154 1 47 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.362 0.338 18531 12155 1 47 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.945 -0.845 18531 12156 1 47 . 1 1 32 32 GLN H H 32 7.510 7.510 7.683 -0.173 18531 12157 1 47 . 1 1 33 33 TYR N N 33 120.400 120.400 121.764 -1.364 18531 12158 1 47 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.256 -0.006 18531 12159 1 47 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.180 0.620 18531 12160 1 47 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.774 -0.074 18531 12161 1 47 . 1 1 33 33 TYR H H 33 8.080 8.080 8.085 -0.005 18531 12162 1 47 . 1 1 34 34 ALA N N 34 122.300 122.300 121.035 1.265 18531 12163 1 47 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.853 -0.073 18531 12164 1 47 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.845 0.255 18531 12165 1 47 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.232 -0.532 18531 12166 1 47 . 1 1 34 34 ALA H H 34 9.210 9.210 8.500 0.710 18531 12167 1 47 . 1 1 35 35 ASN N N 35 117.700 117.700 116.046 1.654 18531 12168 1 47 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.522 -0.062 18531 12169 1 47 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.652 1.348 18531 12170 1 47 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.281 0.720 18531 12171 1 47 . 1 1 35 35 ASN H H 35 8.390 8.390 8.142 0.248 18531 12172 1 47 . 1 1 36 36 ASP N N 36 121.100 121.100 118.839 2.261 18531 12173 1 47 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531 12174 1 47 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.766 1.934 18531 12175 1 47 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.218 -1.218 18531 12176 1 47 . 1 1 36 36 ASP H H 36 8.830 8.830 8.023 0.807 18531 12177 1 47 . 1 1 37 37 ASN N N 37 115.200 115.200 116.308 -1.108 18531 12178 1 47 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.811 -0.201 18531 12179 1 47 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.520 1.180 18531 12180 1 47 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.312 0.688 18531 12181 1 47 . 1 1 37 37 ASN H H 37 7.390 7.390 7.663 -0.273 18531 12182 1 47 . 1 1 38 38 GLY N N 38 108.200 108.200 108.890 -0.690 18531 12183 1 47 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.994 0.406 18531 12184 1 47 . 1 1 38 38 GLY H H 38 7.800 7.800 7.639 0.161 18531 12185 1 47 . 1 1 39 39 VAL N N 39 120.800 120.800 119.196 1.604 18531 12186 1 47 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.481 -0.341 18531 12187 1 47 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.262 0.438 18531 12188 1 47 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.004 -0.704 18531 12189 1 47 . 1 1 39 39 VAL H H 39 8.120 8.120 7.851 0.269 18531 12190 1 47 . 1 1 40 40 ASP N N 40 128.000 128.000 124.362 3.638 18531 12191 1 47 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.893 -0.003 18531 12192 1 47 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.971 -1.171 18531 12193 1 47 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.254 -1.154 18531 12194 1 47 . 1 1 40 40 ASP H H 40 8.770 8.770 8.527 0.243 18531 12195 1 47 . 1 1 41 41 GLY N N 41 107.100 107.100 110.906 -3.806 18531 12196 1 47 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.587 -0.187 18531 12197 1 47 . 1 1 41 41 GLY H H 41 7.910 7.910 8.367 -0.457 18531 12198 1 47 . 1 1 42 42 VAL N N 42 120.300 120.300 121.550 -1.250 18531 12199 1 47 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.483 -0.103 18531 12200 1 47 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.500 0.600 18531 12201 1 47 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.356 0.044 18531 12202 1 47 . 1 1 42 42 VAL H H 42 8.250 8.250 8.341 -0.091 18531 12203 1 47 . 1 1 43 43 TRP N N 43 130.700 130.700 123.185 7.515 18531 12204 1 47 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.485 -0.125 18531 12205 1 47 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.790 1.810 18531 12206 1 47 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.010 -0.810 18531 12207 1 47 . 1 1 43 43 TRP H H 43 9.360 9.360 8.330 1.030 18531 12208 1 47 . 1 1 44 44 THR N N 44 114.500 114.500 119.117 -4.617 18531 12209 1 47 . 1 1 44 44 THR HA H 44 4.830 4.830 4.531 0.299 18531 12210 1 47 . 1 1 44 44 THR CA C 44 60.300 60.300 61.409 -1.109 18531 12211 1 47 . 1 1 44 44 THR CB C 44 72.100 72.100 69.055 3.045 18531 12212 1 47 . 1 1 44 44 THR H H 44 9.400 9.400 8.483 0.917 18531 12213 1 47 . 1 1 45 45 TYR N N 45 120.100 120.100 128.870 -8.770 18531 12214 1 47 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.952 0.018 18531 12215 1 47 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.002 1.998 18531 12216 1 47 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.806 0.794 18531 12217 1 47 . 1 1 45 45 TYR H H 45 8.580 8.580 8.326 0.254 18531 12218 1 47 . 1 1 46 46 ASP N N 46 128.300 128.300 126.750 1.550 18531 12219 1 47 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.468 0.112 18531 12220 1 47 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.583 0.317 18531 12221 1 47 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.732 -0.632 18531 12222 1 47 . 1 1 46 46 ASP H H 46 7.580 7.580 7.853 -0.273 18531 12223 1 47 . 1 1 47 47 ASP N N 47 124.800 124.800 124.172 0.628 18531 12224 1 47 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.532 -0.422 18531 12225 1 47 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.957 1.543 18531 12226 1 47 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.577 1.523 18531 12227 1 47 . 1 1 47 47 ASP H H 47 8.590 8.590 8.459 0.131 18531 12228 1 47 . 1 1 48 48 ALA N N 48 119.700 119.700 121.575 -1.875 18531 12229 1 47 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.399 -0.309 18531 12230 1 47 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.474 1.526 18531 12231 1 47 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.891 -1.591 18531 12232 1 47 . 1 1 48 48 ALA H H 48 8.340 8.340 7.629 0.711 18531 12233 1 47 . 1 1 49 49 THR N N 49 103.200 103.200 113.923 -10.723 18531 12234 1 47 . 1 1 49 49 THR HA H 49 4.390 4.390 4.405 -0.015 18531 12235 1 47 . 1 1 49 49 THR CA C 49 60.200 60.200 60.858 -0.658 18531 12236 1 47 . 1 1 49 49 THR CB C 49 70.000 70.000 68.858 1.142 18531 12237 1 47 . 1 1 49 49 THR H H 49 7.000 7.000 8.134 -1.134 18531 12238 1 47 . 1 1 50 50 LYS N N 50 123.100 123.100 117.873 5.227 18531 12239 1 47 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.379 -0.189 18531 12240 1 47 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.173 -0.573 18531 12241 1 47 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.449 -0.849 18531 12242 1 47 . 1 1 50 50 LYS H H 50 7.860 7.860 7.833 0.027 18531 12243 1 47 . 1 1 51 51 THR N N 51 111.200 111.200 116.271 -5.071 18531 12244 1 47 . 1 1 51 51 THR HA H 51 5.490 5.490 4.731 0.759 18531 12245 1 47 . 1 1 51 51 THR CA C 51 62.300 62.300 62.529 -0.229 18531 12246 1 47 . 1 1 51 51 THR CB C 51 72.100 72.100 71.671 0.429 18531 12247 1 47 . 1 1 51 51 THR H H 51 7.390 7.390 7.704 -0.314 18531 12248 1 47 . 1 1 52 52 PHE N N 52 131.000 131.000 128.176 2.824 18531 12249 1 47 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.313 0.317 18531 12250 1 47 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.482 0.818 18531 12251 1 47 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.129 1.471 18531 12252 1 47 . 1 1 52 52 PHE H H 52 10.390 10.390 9.359 1.031 18531 12253 1 47 . 1 1 53 53 THR N N 53 117.400 117.400 121.271 -3.871 18531 12254 1 47 . 1 1 53 53 THR HA H 53 5.270 5.270 5.179 0.090 18531 12255 1 47 . 1 1 53 53 THR CA C 53 61.200 61.200 61.486 -0.286 18531 12256 1 47 . 1 1 53 53 THR CB C 53 71.000 71.000 70.312 0.688 18531 12257 1 47 . 1 1 53 53 THR H H 53 9.180 9.180 8.522 0.658 18531 12258 1 47 . 1 1 54 54 VAL N N 54 123.000 123.000 126.676 -3.676 18531 12259 1 47 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.480 -0.020 18531 12260 1 47 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.361 -2.261 18531 12261 1 47 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.051 0.249 18531 12262 1 47 . 1 1 54 54 VAL H H 54 8.280 8.280 8.968 -0.688 18531 12263 1 47 . 1 1 55 55 THR N N 55 123.900 123.900 122.976 0.924 18531 12264 1 47 . 1 1 55 55 THR HA H 55 4.700 4.700 4.458 0.242 18531 12265 1 47 . 1 1 55 55 THR CA C 55 61.200 61.200 60.865 0.335 18531 12266 1 47 . 1 1 55 55 THR CB C 55 70.700 70.700 69.879 0.821 18531 12267 1 47 . 1 1 55 55 THR H H 55 8.320 8.320 8.185 0.135 18531 12268 1 48 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.956 0.094 18531 12269 1 48 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.964 0.636 18531 12270 1 48 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.777 -1.077 18531 12271 1 48 . 1 1 2 2 GLN H H 2 8.410 8.410 7.837 0.573 18531 12272 1 48 . 1 1 3 3 TYR N N 3 124.000 124.000 122.634 1.366 18531 12273 1 48 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.974 0.386 18531 12274 1 48 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.325 0.775 18531 12275 1 48 . 1 1 3 3 TYR CB C 3 43.600 43.600 43.085 0.515 18531 12276 1 48 . 1 1 3 3 TYR H H 3 9.070 9.070 9.381 -0.311 18531 12277 1 48 . 1 1 4 4 LYS N N 4 122.500 122.500 121.317 1.183 18531 12278 1 48 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.775 0.445 18531 12279 1 48 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.783 0.217 18531 12280 1 48 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.344 -0.344 18531 12281 1 48 . 1 1 4 4 LYS H H 4 9.100 9.100 8.700 0.400 18531 12282 1 48 . 1 1 5 5 LEU N N 5 126.400 126.400 128.988 -2.588 18531 12283 1 48 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.783 0.187 18531 12284 1 48 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.183 -0.383 18531 12285 1 48 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.312 0.288 18531 12286 1 48 . 1 1 5 5 LEU H H 5 8.620 8.620 8.602 0.018 18531 12287 1 48 . 1 1 6 6 VAL N N 6 127.000 127.000 129.042 -2.042 18531 12288 1 48 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.152 0.008 18531 12289 1 48 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.512 -0.212 18531 12290 1 48 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.465 1.235 18531 12291 1 48 . 1 1 6 6 VAL H H 6 9.190 9.190 9.086 0.104 18531 12292 1 48 . 1 1 7 7 ILE N N 7 125.400 125.400 128.591 -3.191 18531 12293 1 48 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.363 -0.273 18531 12294 1 48 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.639 0.061 18531 12295 1 48 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.477 -0.477 18531 12296 1 48 . 1 1 7 7 ILE H H 7 8.800 8.800 7.708 1.092 18531 12297 1 48 . 1 1 8 8 ASN N N 8 128.900 128.900 124.864 4.036 18531 12298 1 48 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.002 0.278 18531 12299 1 48 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.399 -1.599 18531 12300 1 48 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.802 -1.702 18531 12301 1 48 . 1 1 8 8 ASN H H 8 8.990 8.990 8.335 0.655 18531 12302 1 48 . 1 1 9 9 GLY N N 9 110.200 110.200 107.591 2.609 18531 12303 1 48 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.296 0.404 18531 12304 1 48 . 1 1 9 9 GLY H H 9 7.920 7.920 7.739 0.181 18531 12305 1 48 . 1 1 10 10 LYS N N 10 120.700 120.700 119.899 0.801 18531 12306 1 48 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.157 -0.097 18531 12307 1 48 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.499 0.701 18531 12308 1 48 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.732 0.168 18531 12309 1 48 . 1 1 10 10 LYS H H 10 9.520 9.520 8.693 0.827 18531 12310 1 48 . 1 1 11 11 THR N N 11 108.900 108.900 108.801 0.099 18531 12311 1 48 . 1 1 11 11 THR HA H 11 4.360 4.360 4.335 0.025 18531 12312 1 48 . 1 1 11 11 THR CA C 11 62.000 62.000 62.534 -0.534 18531 12313 1 48 . 1 1 11 11 THR CB C 11 69.800 69.800 68.893 0.907 18531 12314 1 48 . 1 1 11 11 THR H H 11 8.790 8.790 7.503 1.287 18531 12315 1 48 . 1 1 12 12 LEU N N 12 125.700 125.700 124.715 0.985 18531 12316 1 48 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.468 -0.028 18531 12317 1 48 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.548 0.452 18531 12318 1 48 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.517 0.783 18531 12319 1 48 . 1 1 12 12 LEU H H 12 7.580 7.580 7.889 -0.309 18531 12320 1 48 . 1 1 13 13 LYS N N 13 123.500 123.500 124.109 -0.609 18531 12321 1 48 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.553 0.567 18531 12322 1 48 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.562 -1.662 18531 12323 1 48 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.388 -0.588 18531 12324 1 48 . 1 1 13 13 LYS H H 13 8.140 8.140 8.523 -0.383 18531 12325 1 48 . 1 1 14 14 GLY N N 14 109.100 109.100 110.104 -1.004 18531 12326 1 48 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.684 -0.484 18531 12327 1 48 . 1 1 14 14 GLY H H 14 8.340 8.340 8.527 -0.187 18531 12328 1 48 . 1 1 15 15 GLU N N 15 118.200 118.200 120.598 -2.398 18531 12329 1 48 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.088 0.512 18531 12330 1 48 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.161 -0.661 18531 12331 1 48 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.039 0.761 18531 12332 1 48 . 1 1 15 15 GLU H H 15 8.390 8.390 8.450 -0.060 18531 12333 1 48 . 1 1 16 16 THR N N 16 115.600 115.600 119.968 -4.368 18531 12334 1 48 . 1 1 16 16 THR HA H 16 4.730 4.730 4.630 0.100 18531 12335 1 48 . 1 1 16 16 THR CA C 16 60.600 60.600 60.957 -0.357 18531 12336 1 48 . 1 1 16 16 THR CB C 16 69.500 69.500 68.937 0.563 18531 12337 1 48 . 1 1 16 16 THR H H 16 8.820 8.820 8.440 0.380 18531 12338 1 48 . 1 1 17 17 THR N N 17 111.800 111.800 119.123 -7.323 18531 12339 1 48 . 1 1 17 17 THR HA H 17 5.790 5.790 5.436 0.354 18531 12340 1 48 . 1 1 17 17 THR CA C 17 59.800 59.800 60.605 -0.805 18531 12341 1 48 . 1 1 17 17 THR CB C 17 73.100 73.100 70.741 2.359 18531 12342 1 48 . 1 1 17 17 THR H H 17 8.140 8.140 8.455 -0.315 18531 12343 1 48 . 1 1 18 18 THR N N 18 115.100 115.100 116.655 -1.555 18531 12344 1 48 . 1 1 18 18 THR HA H 18 4.640 4.640 4.661 -0.021 18531 12345 1 48 . 1 1 18 18 THR CA C 18 61.900 61.900 61.074 0.826 18531 12346 1 48 . 1 1 18 18 THR CB C 18 70.000 70.000 70.237 -0.237 18531 12347 1 48 . 1 1 18 18 THR H H 18 8.930 8.930 9.070 -0.140 18531 12348 1 48 . 1 1 19 19 LYS N N 19 124.300 124.300 119.755 4.545 18531 12349 1 48 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.987 0.343 18531 12350 1 48 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.329 -0.329 18531 12351 1 48 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.016 -1.216 18531 12352 1 48 . 1 1 19 19 LYS H H 19 7.950 7.950 8.381 -0.431 18531 12353 1 48 . 1 1 20 20 ALA N N 20 124.600 124.600 123.648 0.952 18531 12354 1 48 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.622 0.158 18531 12355 1 48 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.901 -1.001 18531 12356 1 48 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.575 2.225 18531 12357 1 48 . 1 1 20 20 ALA H H 20 9.110 9.110 8.027 1.083 18531 12358 1 48 . 1 1 21 21 VAL N N 21 115.300 115.300 116.283 -0.983 18531 12359 1 48 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.963 0.147 18531 12360 1 48 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.487 -1.187 18531 12361 1 48 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.040 0.160 18531 12362 1 48 . 1 1 21 21 VAL H H 21 8.480 8.480 8.505 -0.025 18531 12363 1 48 . 1 1 22 22 ASP N N 22 115.200 115.200 114.943 0.257 18531 12364 1 48 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.911 -0.201 18531 12365 1 48 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.758 -0.358 18531 12366 1 48 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.996 0.204 18531 12367 1 48 . 1 1 22 22 ASP H H 22 7.310 7.310 7.691 -0.381 18531 12368 1 48 . 1 1 23 23 ALA N N 23 121.000 121.000 122.509 -1.509 18531 12369 1 48 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.600 -0.260 18531 12370 1 48 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.850 0.050 18531 12371 1 48 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.617 -1.117 18531 12372 1 48 . 1 1 23 23 ALA H H 23 8.370 8.370 8.691 -0.321 18531 12373 1 48 . 1 1 24 24 GLU N N 24 118.900 118.900 118.850 0.050 18531 12374 1 48 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.875 -0.015 18531 12375 1 48 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.718 -0.018 18531 12376 1 48 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.046 0.054 18531 12377 1 48 . 1 1 24 24 GLU H H 24 8.410 8.410 8.360 0.050 18531 12378 1 48 . 1 1 25 25 THR N N 25 117.400 117.400 113.519 3.881 18531 12379 1 48 . 1 1 25 25 THR HA H 25 3.670 3.670 4.144 -0.474 18531 12380 1 48 . 1 1 25 25 THR CA C 25 66.800 66.800 63.880 2.920 18531 12381 1 48 . 1 1 25 25 THR CB C 25 68.000 68.000 68.762 -0.762 18531 12382 1 48 . 1 1 25 25 THR H H 25 8.380 8.380 7.960 0.420 18531 12383 1 48 . 1 1 26 26 ALA N N 26 125.100 125.100 124.383 0.717 18531 12384 1 48 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.677 -0.487 18531 12385 1 48 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.633 0.367 18531 12386 1 48 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.640 -0.340 18531 12387 1 48 . 1 1 26 26 ALA H H 26 7.220 7.220 7.812 -0.592 18531 12388 1 48 . 1 1 27 27 GLU N N 27 117.400 117.400 118.609 -1.209 18531 12389 1 48 . 1 1 27 27 GLU HA H 27 2.590 2.590 4.054 -1.464 18531 12390 1 48 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.723 -0.023 18531 12391 1 48 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.658 -0.458 18531 12392 1 48 . 1 1 27 27 GLU H H 27 8.370 8.370 8.254 0.116 18531 12393 1 48 . 1 1 28 28 LYS N N 28 116.300 116.300 117.717 -1.417 18531 12394 1 48 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.884 -0.214 18531 12395 1 48 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.558 1.042 18531 12396 1 48 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.665 0.535 18531 12397 1 48 . 1 1 28 28 LYS H H 28 7.170 7.170 7.541 -0.371 18531 12398 1 48 . 1 1 29 29 ALA N N 29 122.000 122.000 121.394 0.606 18531 12399 1 48 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.027 0.063 18531 12400 1 48 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.004 0.696 18531 12401 1 48 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.243 -0.743 18531 12402 1 48 . 1 1 29 29 ALA H H 29 7.200 7.200 7.374 -0.174 18531 12403 1 48 . 1 1 30 30 PHE N N 30 119.600 119.600 118.144 1.456 18531 12404 1 48 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.493 0.287 18531 12405 1 48 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.716 -3.116 18531 12406 1 48 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.926 -1.526 18531 12407 1 48 . 1 1 30 30 PHE H H 30 8.610 8.610 7.273 1.337 18531 12408 1 48 . 1 1 31 31 LYS N N 31 122.800 122.800 119.100 3.700 18531 12409 1 48 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.106 -0.016 18531 12410 1 48 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.447 0.253 18531 12411 1 48 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.940 -0.340 18531 12412 1 48 . 1 1 31 31 LYS H H 31 9.030 9.030 8.024 1.006 18531 12413 1 48 . 1 1 32 32 GLN N N 32 119.600 119.600 116.759 2.841 18531 12414 1 48 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.247 -0.217 18531 12415 1 48 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.867 0.834 18531 12416 1 48 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.960 -0.860 18531 12417 1 48 . 1 1 32 32 GLN H H 32 7.510 7.510 7.641 -0.131 18531 12418 1 48 . 1 1 33 33 TYR N N 33 120.400 120.400 120.771 -0.371 18531 12419 1 48 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.384 -0.134 18531 12420 1 48 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.744 1.056 18531 12421 1 48 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.497 -0.797 18531 12422 1 48 . 1 1 33 33 TYR H H 33 8.080 8.080 8.097 -0.017 18531 12423 1 48 . 1 1 34 34 ALA N N 34 122.300 122.300 120.831 1.469 18531 12424 1 48 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.847 -0.067 18531 12425 1 48 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.465 0.635 18531 12426 1 48 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.269 -0.569 18531 12427 1 48 . 1 1 34 34 ALA H H 34 9.210 9.210 8.279 0.931 18531 12428 1 48 . 1 1 35 35 ASN N N 35 117.700 117.700 115.881 1.819 18531 12429 1 48 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.539 -0.079 18531 12430 1 48 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.648 1.352 18531 12431 1 48 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.392 0.608 18531 12432 1 48 . 1 1 35 35 ASN H H 35 8.390 8.390 8.203 0.187 18531 12433 1 48 . 1 1 36 36 ASP N N 36 121.100 121.100 118.686 2.414 18531 12434 1 48 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.695 -0.335 18531 12435 1 48 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.948 1.752 18531 12436 1 48 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.447 -1.447 18531 12437 1 48 . 1 1 36 36 ASP H H 36 8.830 8.830 7.977 0.853 18531 12438 1 48 . 1 1 37 37 ASN N N 37 115.200 115.200 116.989 -1.789 18531 12439 1 48 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.833 -0.223 18531 12440 1 48 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.321 1.379 18531 12441 1 48 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.009 0.991 18531 12442 1 48 . 1 1 37 37 ASN H H 37 7.390 7.390 7.656 -0.266 18531 12443 1 48 . 1 1 38 38 GLY N N 38 108.200 108.200 108.866 -0.666 18531 12444 1 48 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.050 0.350 18531 12445 1 48 . 1 1 38 38 GLY H H 38 7.800 7.800 7.731 0.069 18531 12446 1 48 . 1 1 39 39 VAL N N 39 120.800 120.800 119.537 1.263 18531 12447 1 48 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.490 -0.350 18531 12448 1 48 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.829 0.871 18531 12449 1 48 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.137 -0.837 18531 12450 1 48 . 1 1 39 39 VAL H H 39 8.120 8.120 7.903 0.217 18531 12451 1 48 . 1 1 40 40 ASP N N 40 128.000 128.000 124.776 3.224 18531 12452 1 48 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.817 0.073 18531 12453 1 48 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.021 -1.221 18531 12454 1 48 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.011 -0.911 18531 12455 1 48 . 1 1 40 40 ASP H H 40 8.770 8.770 8.439 0.331 18531 12456 1 48 . 1 1 41 41 GLY N N 41 107.100 107.100 111.409 -4.309 18531 12457 1 48 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.703 -0.303 18531 12458 1 48 . 1 1 41 41 GLY H H 41 7.910 7.910 8.075 -0.165 18531 12459 1 48 . 1 1 42 42 VAL N N 42 120.300 120.300 118.593 1.707 18531 12460 1 48 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.595 -0.215 18531 12461 1 48 . 1 1 42 42 VAL CA C 42 62.100 62.100 59.812 2.288 18531 12462 1 48 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.078 0.322 18531 12463 1 48 . 1 1 42 42 VAL H H 42 8.250 8.250 8.237 0.013 18531 12464 1 48 . 1 1 43 43 TRP N N 43 130.700 130.700 126.372 4.328 18531 12465 1 48 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.283 0.077 18531 12466 1 48 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.486 2.114 18531 12467 1 48 . 1 1 43 43 TRP CB C 43 30.200 30.200 29.666 0.534 18531 12468 1 48 . 1 1 43 43 TRP H H 43 9.360 9.360 8.604 0.756 18531 12469 1 48 . 1 1 44 44 THR N N 44 114.500 114.500 120.554 -6.054 18531 12470 1 48 . 1 1 44 44 THR HA H 44 4.830 4.830 4.602 0.228 18531 12471 1 48 . 1 1 44 44 THR CA C 44 60.300 60.300 61.855 -1.555 18531 12472 1 48 . 1 1 44 44 THR CB C 44 72.100 72.100 68.560 3.540 18531 12473 1 48 . 1 1 44 44 THR H H 44 9.400 9.400 8.608 0.792 18531 12474 1 48 . 1 1 45 45 TYR N N 45 120.100 120.100 126.889 -6.789 18531 12475 1 48 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.206 -0.236 18531 12476 1 48 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.840 2.160 18531 12477 1 48 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.490 1.110 18531 12478 1 48 . 1 1 45 45 TYR H H 45 8.580 8.580 8.153 0.427 18531 12479 1 48 . 1 1 46 46 ASP N N 46 128.300 128.300 124.264 4.036 18531 12480 1 48 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.449 0.131 18531 12481 1 48 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.740 0.160 18531 12482 1 48 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.788 -0.689 18531 12483 1 48 . 1 1 46 46 ASP H H 46 7.580 7.580 8.503 -0.923 18531 12484 1 48 . 1 1 47 47 ASP N N 47 124.800 124.800 125.304 -0.504 18531 12485 1 48 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.785 -0.675 18531 12486 1 48 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.278 1.222 18531 12487 1 48 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.384 1.716 18531 12488 1 48 . 1 1 47 47 ASP H H 47 8.590 8.590 8.499 0.091 18531 12489 1 48 . 1 1 48 48 ALA N N 48 119.700 119.700 122.104 -2.404 18531 12490 1 48 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.490 -0.400 18531 12491 1 48 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.753 1.247 18531 12492 1 48 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.432 -2.132 18531 12493 1 48 . 1 1 48 48 ALA H H 48 8.340 8.340 7.671 0.669 18531 12494 1 48 . 1 1 49 49 THR N N 49 103.200 103.200 113.980 -10.780 18531 12495 1 48 . 1 1 49 49 THR HA H 49 4.390 4.390 4.506 -0.116 18531 12496 1 48 . 1 1 49 49 THR CA C 49 60.200 60.200 61.939 -1.739 18531 12497 1 48 . 1 1 49 49 THR CB C 49 70.000 70.000 69.031 0.969 18531 12498 1 48 . 1 1 49 49 THR H H 49 7.000 7.000 8.333 -1.333 18531 12499 1 48 . 1 1 50 50 LYS N N 50 123.100 123.100 120.036 3.064 18531 12500 1 48 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.333 -0.143 18531 12501 1 48 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.751 -1.151 18531 12502 1 48 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.288 -1.688 18531 12503 1 48 . 1 1 50 50 LYS H H 50 7.860 7.860 8.101 -0.241 18531 12504 1 48 . 1 1 51 51 THR N N 51 111.200 111.200 114.720 -3.520 18531 12505 1 48 . 1 1 51 51 THR HA H 51 5.490 5.490 4.716 0.774 18531 12506 1 48 . 1 1 51 51 THR CA C 51 62.300 62.300 62.751 -0.451 18531 12507 1 48 . 1 1 51 51 THR CB C 51 72.100 72.100 70.517 1.583 18531 12508 1 48 . 1 1 51 51 THR H H 51 7.390 7.390 7.645 -0.255 18531 12509 1 48 . 1 1 52 52 PHE N N 52 131.000 131.000 128.279 2.721 18531 12510 1 48 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.101 0.529 18531 12511 1 48 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.627 0.673 18531 12512 1 48 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.666 1.935 18531 12513 1 48 . 1 1 52 52 PHE H H 52 10.390 10.390 8.953 1.437 18531 12514 1 48 . 1 1 53 53 THR N N 53 117.400 117.400 120.948 -3.548 18531 12515 1 48 . 1 1 53 53 THR HA H 53 5.270 5.270 5.096 0.174 18531 12516 1 48 . 1 1 53 53 THR CA C 53 61.200 61.200 61.758 -0.558 18531 12517 1 48 . 1 1 53 53 THR CB C 53 71.000 71.000 70.274 0.726 18531 12518 1 48 . 1 1 53 53 THR H H 53 9.180 9.180 9.215 -0.035 18531 12519 1 48 . 1 1 54 54 VAL N N 54 123.000 123.000 127.642 -4.642 18531 12520 1 48 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.517 -0.057 18531 12521 1 48 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.831 -2.732 18531 12522 1 48 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.869 -0.569 18531 12523 1 48 . 1 1 54 54 VAL H H 54 8.280 8.280 9.025 -0.745 18531 12524 1 48 . 1 1 55 55 THR N N 55 123.900 123.900 122.916 0.984 18531 12525 1 48 . 1 1 55 55 THR HA H 55 4.700 4.700 4.521 0.179 18531 12526 1 48 . 1 1 55 55 THR CA C 55 61.200 61.200 62.251 -1.050 18531 12527 1 48 . 1 1 55 55 THR CB C 55 70.700 70.700 70.210 0.490 18531 12528 1 48 . 1 1 55 55 THR H H 55 8.320 8.320 7.896 0.424 18531 12529 1 49 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.671 0.379 18531 12530 1 49 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.255 0.345 18531 12531 1 49 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.888 -1.188 18531 12532 1 49 . 1 1 2 2 GLN H H 2 8.410 8.410 8.234 0.176 18531 12533 1 49 . 1 1 3 3 TYR N N 3 124.000 124.000 123.892 0.108 18531 12534 1 49 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.152 0.208 18531 12535 1 49 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.790 0.310 18531 12536 1 49 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.786 1.814 18531 12537 1 49 . 1 1 3 3 TYR H H 3 9.070 9.070 9.026 0.044 18531 12538 1 49 . 1 1 4 4 LYS N N 4 122.500 122.500 122.224 0.276 18531 12539 1 49 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.856 0.364 18531 12540 1 49 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.137 -0.137 18531 12541 1 49 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.250 0.750 18531 12542 1 49 . 1 1 4 4 LYS H H 4 9.100 9.100 9.178 -0.078 18531 12543 1 49 . 1 1 5 5 LEU N N 5 126.400 126.400 127.181 -0.781 18531 12544 1 49 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.783 0.187 18531 12545 1 49 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.625 -0.825 18531 12546 1 49 . 1 1 5 5 LEU CB C 5 42.600 42.600 45.921 -3.321 18531 12547 1 49 . 1 1 5 5 LEU H H 5 8.620 8.620 8.865 -0.245 18531 12548 1 49 . 1 1 6 6 VAL N N 6 127.000 127.000 124.029 2.971 18531 12549 1 49 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.296 -0.136 18531 12550 1 49 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.611 0.688 18531 12551 1 49 . 1 1 6 6 VAL CB C 6 32.700 32.700 34.545 -1.845 18531 12552 1 49 . 1 1 6 6 VAL H H 6 9.190 9.190 8.301 0.889 18531 12553 1 49 . 1 1 7 7 ILE N N 7 125.400 125.400 127.458 -2.058 18531 12554 1 49 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.294 -0.204 18531 12555 1 49 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.774 -0.074 18531 12556 1 49 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.171 -0.171 18531 12557 1 49 . 1 1 7 7 ILE H H 7 8.800 8.800 8.678 0.121 18531 12558 1 49 . 1 1 8 8 ASN N N 8 128.900 128.900 126.758 2.142 18531 12559 1 49 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.014 0.266 18531 12560 1 49 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.063 -1.264 18531 12561 1 49 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.737 -1.637 18531 12562 1 49 . 1 1 8 8 ASN H H 8 8.990 8.990 8.110 0.880 18531 12563 1 49 . 1 1 9 9 GLY N N 9 110.200 110.200 108.159 2.041 18531 12564 1 49 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.124 0.576 18531 12565 1 49 . 1 1 9 9 GLY H H 9 7.920 7.920 8.065 -0.145 18531 12566 1 49 . 1 1 10 10 LYS N N 10 120.700 120.700 123.962 -3.262 18531 12567 1 49 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.002 0.058 18531 12568 1 49 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.249 -0.049 18531 12569 1 49 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.670 0.230 18531 12570 1 49 . 1 1 10 10 LYS H H 10 9.520 9.520 8.876 0.644 18531 12571 1 49 . 1 1 11 11 THR N N 11 108.900 108.900 108.895 0.005 18531 12572 1 49 . 1 1 11 11 THR HA H 11 4.360 4.360 4.404 -0.044 18531 12573 1 49 . 1 1 11 11 THR CA C 11 62.000 62.000 62.306 -0.306 18531 12574 1 49 . 1 1 11 11 THR CB C 11 69.800 69.800 70.136 -0.336 18531 12575 1 49 . 1 1 11 11 THR H H 11 8.790 8.790 8.157 0.633 18531 12576 1 49 . 1 1 12 12 LEU N N 12 125.700 125.700 124.033 1.667 18531 12577 1 49 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.620 -0.180 18531 12578 1 49 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.321 0.679 18531 12579 1 49 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.956 0.344 18531 12580 1 49 . 1 1 12 12 LEU H H 12 7.580 7.580 8.133 -0.553 18531 12581 1 49 . 1 1 13 13 LYS N N 13 123.500 123.500 125.567 -2.067 18531 12582 1 49 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.645 0.475 18531 12583 1 49 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.348 -1.448 18531 12584 1 49 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.548 -0.749 18531 12585 1 49 . 1 1 13 13 LYS H H 13 8.140 8.140 8.521 -0.381 18531 12586 1 49 . 1 1 14 14 GLY N N 14 109.100 109.100 110.595 -1.495 18531 12587 1 49 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.028 -0.828 18531 12588 1 49 . 1 1 14 14 GLY H H 14 8.340 8.340 8.554 -0.214 18531 12589 1 49 . 1 1 15 15 GLU N N 15 118.200 118.200 119.017 -0.817 18531 12590 1 49 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.714 0.886 18531 12591 1 49 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.831 -1.331 18531 12592 1 49 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.111 0.689 18531 12593 1 49 . 1 1 15 15 GLU H H 15 8.390 8.390 8.512 -0.122 18531 12594 1 49 . 1 1 16 16 THR N N 16 115.600 115.600 113.737 1.863 18531 12595 1 49 . 1 1 16 16 THR HA H 16 4.730 4.730 4.665 0.065 18531 12596 1 49 . 1 1 16 16 THR CA C 16 60.600 60.600 61.986 -1.385 18531 12597 1 49 . 1 1 16 16 THR CB C 16 69.500 69.500 70.305 -0.805 18531 12598 1 49 . 1 1 16 16 THR H H 16 8.820 8.820 8.491 0.329 18531 12599 1 49 . 1 1 17 17 THR N N 17 111.800 111.800 114.897 -3.097 18531 12600 1 49 . 1 1 17 17 THR HA H 17 5.790 5.790 4.939 0.851 18531 12601 1 49 . 1 1 17 17 THR CA C 17 59.800 59.800 60.605 -0.805 18531 12602 1 49 . 1 1 17 17 THR CB C 17 73.100 73.100 72.149 0.951 18531 12603 1 49 . 1 1 17 17 THR H H 17 8.140 8.140 8.220 -0.080 18531 12604 1 49 . 1 1 18 18 THR N N 18 115.100 115.100 116.029 -0.929 18531 12605 1 49 . 1 1 18 18 THR HA H 18 4.640 4.640 4.611 0.029 18531 12606 1 49 . 1 1 18 18 THR CA C 18 61.900 61.900 61.589 0.311 18531 12607 1 49 . 1 1 18 18 THR CB C 18 70.000 70.000 71.339 -1.339 18531 12608 1 49 . 1 1 18 18 THR H H 18 8.930 8.930 8.289 0.641 18531 12609 1 49 . 1 1 19 19 LYS N N 19 124.300 124.300 122.579 1.721 18531 12610 1 49 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.778 0.552 18531 12611 1 49 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.482 -0.482 18531 12612 1 49 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.331 -0.531 18531 12613 1 49 . 1 1 19 19 LYS H H 19 7.950 7.950 8.298 -0.348 18531 12614 1 49 . 1 1 20 20 ALA N N 20 124.600 124.600 125.124 -0.524 18531 12615 1 49 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.461 0.319 18531 12616 1 49 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.453 -0.553 18531 12617 1 49 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.480 2.320 18531 12618 1 49 . 1 1 20 20 ALA H H 20 9.110 9.110 8.279 0.831 18531 12619 1 49 . 1 1 21 21 VAL N N 21 115.300 115.300 116.394 -1.094 18531 12620 1 49 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.957 0.153 18531 12621 1 49 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.352 -2.051 18531 12622 1 49 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.288 0.912 18531 12623 1 49 . 1 1 21 21 VAL H H 21 8.480 8.480 8.389 0.091 18531 12624 1 49 . 1 1 22 22 ASP N N 22 115.200 115.200 114.526 0.674 18531 12625 1 49 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.971 -0.261 18531 12626 1 49 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.665 -0.265 18531 12627 1 49 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.176 0.024 18531 12628 1 49 . 1 1 22 22 ASP H H 22 7.310 7.310 7.689 -0.379 18531 12629 1 49 . 1 1 23 23 ALA N N 23 121.000 121.000 121.101 -0.101 18531 12630 1 49 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.915 -0.575 18531 12631 1 49 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.822 0.078 18531 12632 1 49 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.568 -1.068 18531 12633 1 49 . 1 1 23 23 ALA H H 23 8.370 8.370 8.862 -0.492 18531 12634 1 49 . 1 1 24 24 GLU N N 24 118.900 118.900 119.977 -1.077 18531 12635 1 49 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.908 -0.048 18531 12636 1 49 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.658 0.042 18531 12637 1 49 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.981 0.119 18531 12638 1 49 . 1 1 24 24 GLU H H 24 8.410 8.410 8.447 -0.037 18531 12639 1 49 . 1 1 25 25 THR N N 25 117.400 117.400 113.777 3.623 18531 12640 1 49 . 1 1 25 25 THR HA H 25 3.670 3.670 4.078 -0.408 18531 12641 1 49 . 1 1 25 25 THR CA C 25 66.800 66.800 65.096 1.704 18531 12642 1 49 . 1 1 25 25 THR CB C 25 68.000 68.000 68.734 -0.734 18531 12643 1 49 . 1 1 25 25 THR H H 25 8.380 8.380 8.647 -0.267 18531 12644 1 49 . 1 1 26 26 ALA N N 26 125.100 125.100 124.240 0.860 18531 12645 1 49 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.756 -0.566 18531 12646 1 49 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.960 0.040 18531 12647 1 49 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.731 -0.431 18531 12648 1 49 . 1 1 26 26 ALA H H 26 7.220 7.220 7.339 -0.119 18531 12649 1 49 . 1 1 27 27 GLU N N 27 117.400 117.400 118.045 -0.645 18531 12650 1 49 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.680 -1.090 18531 12651 1 49 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.838 -0.138 18531 12652 1 49 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.425 -0.225 18531 12653 1 49 . 1 1 27 27 GLU H H 27 8.370 8.370 8.563 -0.193 18531 12654 1 49 . 1 1 28 28 LYS N N 28 116.300 116.300 119.272 -2.972 18531 12655 1 49 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.001 -0.331 18531 12656 1 49 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.026 0.574 18531 12657 1 49 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.255 -0.056 18531 12658 1 49 . 1 1 28 28 LYS H H 28 7.170 7.170 7.188 -0.018 18531 12659 1 49 . 1 1 29 29 ALA N N 29 122.000 122.000 122.047 -0.047 18531 12660 1 49 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.987 0.103 18531 12661 1 49 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.594 0.106 18531 12662 1 49 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.142 -0.642 18531 12663 1 49 . 1 1 29 29 ALA H H 29 7.200 7.200 7.427 -0.227 18531 12664 1 49 . 1 1 30 30 PHE N N 30 119.600 119.600 116.885 2.715 18531 12665 1 49 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.197 0.583 18531 12666 1 49 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.258 -3.658 18531 12667 1 49 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.678 -1.278 18531 12668 1 49 . 1 1 30 30 PHE H H 30 8.610 8.610 8.238 0.372 18531 12669 1 49 . 1 1 31 31 LYS N N 31 122.800 122.800 119.352 3.448 18531 12670 1 49 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.495 0.595 18531 12671 1 49 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.127 0.573 18531 12672 1 49 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.550 0.050 18531 12673 1 49 . 1 1 31 31 LYS H H 31 9.030 9.030 8.006 1.024 18531 12674 1 49 . 1 1 32 32 GLN N N 32 119.600 119.600 117.748 1.852 18531 12675 1 49 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.980 0.050 18531 12676 1 49 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.936 -0.236 18531 12677 1 49 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.439 -0.339 18531 12678 1 49 . 1 1 32 32 GLN H H 32 7.510 7.510 8.162 -0.652 18531 12679 1 49 . 1 1 33 33 TYR N N 33 120.400 120.400 121.399 -0.999 18531 12680 1 49 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.201 0.049 18531 12681 1 49 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.991 0.809 18531 12682 1 49 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.318 0.382 18531 12683 1 49 . 1 1 33 33 TYR H H 33 8.080 8.080 7.910 0.170 18531 12684 1 49 . 1 1 34 34 ALA N N 34 122.300 122.300 120.769 1.531 18531 12685 1 49 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.886 -0.106 18531 12686 1 49 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.423 0.677 18531 12687 1 49 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.284 -0.584 18531 12688 1 49 . 1 1 34 34 ALA H H 34 9.210 9.210 7.944 1.266 18531 12689 1 49 . 1 1 35 35 ASN N N 35 117.700 117.700 117.632 0.068 18531 12690 1 49 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.444 0.016 18531 12691 1 49 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.119 0.881 18531 12692 1 49 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.001 0.999 18531 12693 1 49 . 1 1 35 35 ASN H H 35 8.390 8.390 8.125 0.265 18531 12694 1 49 . 1 1 36 36 ASP N N 36 121.100 121.100 119.908 1.192 18531 12695 1 49 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.448 -0.088 18531 12696 1 49 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.495 0.205 18531 12697 1 49 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.028 -0.028 18531 12698 1 49 . 1 1 36 36 ASP H H 36 8.830 8.830 8.242 0.588 18531 12699 1 49 . 1 1 37 37 ASN N N 37 115.200 115.200 115.253 -0.053 18531 12700 1 49 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.673 -0.063 18531 12701 1 49 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.096 0.604 18531 12702 1 49 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.188 0.812 18531 12703 1 49 . 1 1 37 37 ASN H H 37 7.390 7.390 7.693 -0.303 18531 12704 1 49 . 1 1 38 38 GLY N N 38 108.200 108.200 109.083 -0.883 18531 12705 1 49 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.949 0.451 18531 12706 1 49 . 1 1 38 38 GLY H H 38 7.800 7.800 8.049 -0.249 18531 12707 1 49 . 1 1 39 39 VAL N N 39 120.800 120.800 119.237 1.563 18531 12708 1 49 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.351 -0.211 18531 12709 1 49 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.552 1.148 18531 12710 1 49 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.783 -0.483 18531 12711 1 49 . 1 1 39 39 VAL H H 39 8.120 8.120 8.158 -0.038 18531 12712 1 49 . 1 1 40 40 ASP N N 40 128.000 128.000 123.727 4.273 18531 12713 1 49 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.903 -0.013 18531 12714 1 49 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.357 -0.557 18531 12715 1 49 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.906 -0.806 18531 12716 1 49 . 1 1 40 40 ASP H H 40 8.770 8.770 8.128 0.642 18531 12717 1 49 . 1 1 41 41 GLY N N 41 107.100 107.100 109.908 -2.808 18531 12718 1 49 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.514 -0.114 18531 12719 1 49 . 1 1 41 41 GLY H H 41 7.910 7.910 8.297 -0.387 18531 12720 1 49 . 1 1 42 42 VAL N N 42 120.300 120.300 122.992 -2.692 18531 12721 1 49 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.476 -0.096 18531 12722 1 49 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.655 0.445 18531 12723 1 49 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.212 0.188 18531 12724 1 49 . 1 1 42 42 VAL H H 42 8.250 8.250 8.485 -0.235 18531 12725 1 49 . 1 1 43 43 TRP N N 43 130.700 130.700 126.620 4.080 18531 12726 1 49 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.320 0.040 18531 12727 1 49 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.403 1.197 18531 12728 1 49 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.706 -2.506 18531 12729 1 49 . 1 1 43 43 TRP H H 43 9.360 9.360 8.591 0.769 18531 12730 1 49 . 1 1 44 44 THR N N 44 114.500 114.500 114.829 -0.329 18531 12731 1 49 . 1 1 44 44 THR HA H 44 4.830 4.830 4.875 -0.045 18531 12732 1 49 . 1 1 44 44 THR CA C 44 60.300 60.300 60.251 0.049 18531 12733 1 49 . 1 1 44 44 THR CB C 44 72.100 72.100 71.462 0.638 18531 12734 1 49 . 1 1 44 44 THR H H 44 9.400 9.400 8.768 0.632 18531 12735 1 49 . 1 1 45 45 TYR N N 45 120.100 120.100 121.110 -1.010 18531 12736 1 49 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.588 0.382 18531 12737 1 49 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.827 0.173 18531 12738 1 49 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.864 -0.265 18531 12739 1 49 . 1 1 45 45 TYR H H 45 8.580 8.580 8.209 0.371 18531 12740 1 49 . 1 1 46 46 ASP N N 46 128.300 128.300 125.120 3.180 18531 12741 1 49 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.414 0.166 18531 12742 1 49 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.822 0.078 18531 12743 1 49 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.570 -0.470 18531 12744 1 49 . 1 1 46 46 ASP H H 46 7.580 7.580 8.116 -0.536 18531 12745 1 49 . 1 1 47 47 ASP N N 47 124.800 124.800 124.705 0.095 18531 12746 1 49 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.316 -0.206 18531 12747 1 49 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.258 2.242 18531 12748 1 49 . 1 1 47 47 ASP CB C 47 42.100 42.100 39.858 2.242 18531 12749 1 49 . 1 1 47 47 ASP H H 47 8.590 8.590 8.348 0.242 18531 12750 1 49 . 1 1 48 48 ALA N N 48 119.700 119.700 121.560 -1.860 18531 12751 1 49 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.419 -0.329 18531 12752 1 49 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.865 1.135 18531 12753 1 49 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.250 -1.950 18531 12754 1 49 . 1 1 48 48 ALA H H 48 8.340 8.340 8.142 0.198 18531 12755 1 49 . 1 1 49 49 THR N N 49 103.200 103.200 112.426 -9.226 18531 12756 1 49 . 1 1 49 49 THR HA H 49 4.390 4.390 4.301 0.089 18531 12757 1 49 . 1 1 49 49 THR CA C 49 60.200 60.200 61.370 -1.170 18531 12758 1 49 . 1 1 49 49 THR CB C 49 70.000 70.000 68.636 1.364 18531 12759 1 49 . 1 1 49 49 THR H H 49 7.000 7.000 8.012 -1.012 18531 12760 1 49 . 1 1 50 50 LYS N N 50 123.100 123.100 119.199 3.901 18531 12761 1 49 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.907 0.283 18531 12762 1 49 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.425 -0.825 18531 12763 1 49 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.040 -1.440 18531 12764 1 49 . 1 1 50 50 LYS H H 50 7.860 7.860 7.910 -0.050 18531 12765 1 49 . 1 1 51 51 THR N N 51 111.200 111.200 113.139 -1.939 18531 12766 1 49 . 1 1 51 51 THR HA H 51 5.490 5.490 5.253 0.237 18531 12767 1 49 . 1 1 51 51 THR CA C 51 62.300 62.300 61.723 0.577 18531 12768 1 49 . 1 1 51 51 THR CB C 51 72.100 72.100 71.341 0.759 18531 12769 1 49 . 1 1 51 51 THR H H 51 7.390 7.390 7.440 -0.050 18531 12770 1 49 . 1 1 52 52 PHE N N 52 131.000 131.000 123.431 7.569 18531 12771 1 49 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.164 0.466 18531 12772 1 49 . 1 1 52 52 PHE CA C 52 57.300 57.300 58.924 -1.624 18531 12773 1 49 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.480 0.120 18531 12774 1 49 . 1 1 52 52 PHE H H 52 10.390 10.390 8.622 1.768 18531 12775 1 49 . 1 1 53 53 THR N N 53 117.400 117.400 113.609 3.791 18531 12776 1 49 . 1 1 53 53 THR HA H 53 5.270 5.270 3.893 1.377 18531 12777 1 49 . 1 1 53 53 THR CA C 53 61.200 61.200 63.157 -1.957 18531 12778 1 49 . 1 1 53 53 THR CB C 53 71.000 71.000 68.829 2.171 18531 12779 1 49 . 1 1 53 53 THR H H 53 9.180 9.180 7.972 1.208 18531 12780 1 49 . 1 1 54 54 VAL N N 54 123.000 123.000 124.499 -1.499 18531 12781 1 49 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.192 0.268 18531 12782 1 49 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.254 -1.153 18531 12783 1 49 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.744 -2.444 18531 12784 1 49 . 1 1 54 54 VAL H H 54 8.280 8.280 8.290 -0.010 18531 12785 1 49 . 1 1 55 55 THR N N 55 123.900 123.900 124.728 -0.828 18531 12786 1 49 . 1 1 55 55 THR HA H 55 4.700 4.700 4.554 0.146 18531 12787 1 49 . 1 1 55 55 THR CA C 55 61.200 61.200 61.573 -0.373 18531 12788 1 49 . 1 1 55 55 THR CB C 55 70.700 70.700 69.652 1.048 18531 12789 1 49 . 1 1 55 55 THR H H 55 8.320 8.320 8.546 -0.226 18531 12790 1 50 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.236 0.814 18531 12791 1 50 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.611 -1.011 18531 12792 1 50 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.609 2.091 18531 12793 1 50 . 1 1 2 2 GLN H H 2 8.410 8.410 8.536 -0.126 18531 12794 1 50 . 1 1 3 3 TYR N N 3 124.000 124.000 122.454 1.546 18531 12795 1 50 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.894 0.466 18531 12796 1 50 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.881 0.219 18531 12797 1 50 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.052 1.548 18531 12798 1 50 . 1 1 3 3 TYR H H 3 9.070 9.070 8.657 0.413 18531 12799 1 50 . 1 1 4 4 LYS N N 4 122.500 122.500 122.752 -0.252 18531 12800 1 50 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.588 0.632 18531 12801 1 50 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.550 0.450 18531 12802 1 50 . 1 1 4 4 LYS CB C 4 36.000 36.000 33.964 2.037 18531 12803 1 50 . 1 1 4 4 LYS H H 4 9.100 9.100 8.631 0.469 18531 12804 1 50 . 1 1 5 5 LEU N N 5 126.400 126.400 129.936 -3.536 18531 12805 1 50 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.185 -0.215 18531 12806 1 50 . 1 1 5 5 LEU CA C 5 52.800 52.800 54.000 -1.200 18531 12807 1 50 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.594 -0.994 18531 12808 1 50 . 1 1 5 5 LEU H H 5 8.620 8.620 8.368 0.252 18531 12809 1 50 . 1 1 6 6 VAL N N 6 127.000 127.000 128.081 -1.081 18531 12810 1 50 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.320 -0.160 18531 12811 1 50 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.685 0.615 18531 12812 1 50 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.627 0.074 18531 12813 1 50 . 1 1 6 6 VAL H H 6 9.190 9.190 9.240 -0.050 18531 12814 1 50 . 1 1 7 7 ILE N N 7 125.400 125.400 128.135 -2.735 18531 12815 1 50 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.457 -0.367 18531 12816 1 50 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.489 0.212 18531 12817 1 50 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.746 -0.746 18531 12818 1 50 . 1 1 7 7 ILE H H 7 8.800 8.800 7.892 0.908 18531 12819 1 50 . 1 1 8 8 ASN N N 8 128.900 128.900 124.639 4.261 18531 12820 1 50 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.995 0.285 18531 12821 1 50 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.670 -1.870 18531 12822 1 50 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.068 -1.968 18531 12823 1 50 . 1 1 8 8 ASN H H 8 8.990 8.990 8.966 0.024 18531 12824 1 50 . 1 1 9 9 GLY N N 9 110.200 110.200 107.657 2.543 18531 12825 1 50 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.605 1.095 18531 12826 1 50 . 1 1 9 9 GLY H H 9 7.920 7.920 8.216 -0.296 18531 12827 1 50 . 1 1 10 10 LYS N N 10 120.700 120.700 120.681 0.019 18531 12828 1 50 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.247 -0.187 18531 12829 1 50 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.593 0.608 18531 12830 1 50 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.948 -0.048 18531 12831 1 50 . 1 1 10 10 LYS H H 10 9.520 9.520 8.808 0.712 18531 12832 1 50 . 1 1 11 11 THR N N 11 108.900 108.900 110.877 -1.977 18531 12833 1 50 . 1 1 11 11 THR HA H 11 4.360 4.360 4.429 -0.069 18531 12834 1 50 . 1 1 11 11 THR CA C 11 62.000 62.000 61.780 0.220 18531 12835 1 50 . 1 1 11 11 THR CB C 11 69.800 69.800 69.773 0.027 18531 12836 1 50 . 1 1 11 11 THR H H 11 8.790 8.790 8.084 0.706 18531 12837 1 50 . 1 1 12 12 LEU N N 12 125.700 125.700 123.722 1.978 18531 12838 1 50 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.564 -0.124 18531 12839 1 50 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.566 -0.566 18531 12840 1 50 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.667 -1.367 18531 12841 1 50 . 1 1 12 12 LEU H H 12 7.580 7.580 7.523 0.057 18531 12842 1 50 . 1 1 13 13 LYS N N 13 123.500 123.500 124.346 -0.846 18531 12843 1 50 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.654 0.466 18531 12844 1 50 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.231 -2.332 18531 12845 1 50 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.166 1.634 18531 12846 1 50 . 1 1 13 13 LYS H H 13 8.140 8.140 8.537 -0.397 18531 12847 1 50 . 1 1 14 14 GLY N N 14 109.100 109.100 109.894 -0.794 18531 12848 1 50 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.749 0.451 18531 12849 1 50 . 1 1 14 14 GLY H H 14 8.340 8.340 7.910 0.430 18531 12850 1 50 . 1 1 15 15 GLU N N 15 118.200 118.200 120.422 -2.222 18531 12851 1 50 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.973 0.627 18531 12852 1 50 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.655 -1.155 18531 12853 1 50 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.390 1.410 18531 12854 1 50 . 1 1 15 15 GLU H H 15 8.390 8.390 8.408 -0.018 18531 12855 1 50 . 1 1 16 16 THR N N 16 115.600 115.600 122.159 -6.559 18531 12856 1 50 . 1 1 16 16 THR HA H 16 4.730 4.730 4.540 0.190 18531 12857 1 50 . 1 1 16 16 THR CA C 16 60.600 60.600 61.530 -0.930 18531 12858 1 50 . 1 1 16 16 THR CB C 16 69.500 69.500 68.920 0.580 18531 12859 1 50 . 1 1 16 16 THR H H 16 8.820 8.820 8.319 0.501 18531 12860 1 50 . 1 1 17 17 THR N N 17 111.800 111.800 117.679 -5.879 18531 12861 1 50 . 1 1 17 17 THR HA H 17 5.790 5.790 4.611 1.179 18531 12862 1 50 . 1 1 17 17 THR CA C 17 59.800 59.800 61.078 -1.278 18531 12863 1 50 . 1 1 17 17 THR CB C 17 73.100 73.100 70.761 2.338 18531 12864 1 50 . 1 1 17 17 THR H H 17 8.140 8.140 8.181 -0.041 18531 12865 1 50 . 1 1 18 18 THR N N 18 115.100 115.100 116.827 -1.727 18531 12866 1 50 . 1 1 18 18 THR HA H 18 4.640 4.640 4.665 -0.025 18531 12867 1 50 . 1 1 18 18 THR CA C 18 61.900 61.900 61.829 0.071 18531 12868 1 50 . 1 1 18 18 THR CB C 18 70.000 70.000 71.695 -1.696 18531 12869 1 50 . 1 1 18 18 THR H H 18 8.930 8.930 8.452 0.478 18531 12870 1 50 . 1 1 19 19 LYS N N 19 124.300 124.300 119.923 4.377 18531 12871 1 50 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.948 0.382 18531 12872 1 50 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.533 -0.533 18531 12873 1 50 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.709 0.091 18531 12874 1 50 . 1 1 19 19 LYS H H 19 7.950 7.950 8.415 -0.465 18531 12875 1 50 . 1 1 20 20 ALA N N 20 124.600 124.600 124.003 0.597 18531 12876 1 50 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.543 0.237 18531 12877 1 50 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.637 -0.737 18531 12878 1 50 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.202 2.598 18531 12879 1 50 . 1 1 20 20 ALA H H 20 9.110 9.110 8.016 1.094 18531 12880 1 50 . 1 1 21 21 VAL N N 21 115.300 115.300 115.928 -0.628 18531 12881 1 50 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.010 0.100 18531 12882 1 50 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.488 -1.188 18531 12883 1 50 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.941 0.259 18531 12884 1 50 . 1 1 21 21 VAL H H 21 8.480 8.480 8.326 0.154 18531 12885 1 50 . 1 1 22 22 ASP N N 22 115.200 115.200 114.489 0.711 18531 12886 1 50 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.963 -0.253 18531 12887 1 50 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.560 -0.160 18531 12888 1 50 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.210 -0.010 18531 12889 1 50 . 1 1 22 22 ASP H H 22 7.310 7.310 7.544 -0.234 18531 12890 1 50 . 1 1 23 23 ALA N N 23 121.000 121.000 123.224 -2.224 18531 12891 1 50 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.535 -0.195 18531 12892 1 50 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.199 -0.299 18531 12893 1 50 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.732 -1.232 18531 12894 1 50 . 1 1 23 23 ALA H H 23 8.370 8.370 8.623 -0.253 18531 12895 1 50 . 1 1 24 24 GLU N N 24 118.900 118.900 118.830 0.070 18531 12896 1 50 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.904 -0.044 18531 12897 1 50 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.166 0.534 18531 12898 1 50 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.610 0.490 18531 12899 1 50 . 1 1 24 24 GLU H H 24 8.410 8.410 8.561 -0.151 18531 12900 1 50 . 1 1 25 25 THR N N 25 117.400 117.400 113.235 4.165 18531 12901 1 50 . 1 1 25 25 THR HA H 25 3.670 3.670 4.208 -0.538 18531 12902 1 50 . 1 1 25 25 THR CA C 25 66.800 66.800 63.683 3.117 18531 12903 1 50 . 1 1 25 25 THR CB C 25 68.000 68.000 68.585 -0.585 18531 12904 1 50 . 1 1 25 25 THR H H 25 8.380 8.380 7.758 0.622 18531 12905 1 50 . 1 1 26 26 ALA N N 26 125.100 125.100 124.712 0.388 18531 12906 1 50 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.453 -0.263 18531 12907 1 50 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.600 0.400 18531 12908 1 50 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.519 -0.219 18531 12909 1 50 . 1 1 26 26 ALA H H 26 7.220 7.220 7.829 -0.609 18531 12910 1 50 . 1 1 27 27 GLU N N 27 117.400 117.400 118.416 -1.016 18531 12911 1 50 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.939 -1.349 18531 12912 1 50 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.806 -0.106 18531 12913 1 50 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.429 -0.229 18531 12914 1 50 . 1 1 27 27 GLU H H 27 8.370 8.370 8.333 0.037 18531 12915 1 50 . 1 1 28 28 LYS N N 28 116.300 116.300 119.096 -2.796 18531 12916 1 50 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.755 -0.085 18531 12917 1 50 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.375 0.225 18531 12918 1 50 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.051 0.149 18531 12919 1 50 . 1 1 28 28 LYS H H 28 7.170 7.170 7.761 -0.591 18531 12920 1 50 . 1 1 29 29 ALA N N 29 122.000 122.000 120.651 1.349 18531 12921 1 50 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.932 0.158 18531 12922 1 50 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.798 -0.098 18531 12923 1 50 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.792 -0.292 18531 12924 1 50 . 1 1 29 29 ALA H H 29 7.200 7.200 7.275 -0.075 18531 12925 1 50 . 1 1 30 30 PHE N N 30 119.600 119.600 116.691 2.909 18531 12926 1 50 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.318 0.462 18531 12927 1 50 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.269 -2.669 18531 12928 1 50 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.155 -0.755 18531 12929 1 50 . 1 1 30 30 PHE H H 30 8.610 8.610 7.073 1.537 18531 12930 1 50 . 1 1 31 31 LYS N N 31 122.800 122.800 120.197 2.603 18531 12931 1 50 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.040 0.050 18531 12932 1 50 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.955 -0.255 18531 12933 1 50 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.682 -0.082 18531 12934 1 50 . 1 1 31 31 LYS H H 31 9.030 9.030 8.332 0.698 18531 12935 1 50 . 1 1 32 32 GLN N N 32 119.600 119.600 118.587 1.013 18531 12936 1 50 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.059 -0.029 18531 12937 1 50 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.184 -0.484 18531 12938 1 50 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.818 -0.718 18531 12939 1 50 . 1 1 32 32 GLN H H 32 7.510 7.510 8.480 -0.970 18531 12940 1 50 . 1 1 33 33 TYR N N 33 120.400 120.400 120.142 0.258 18531 12941 1 50 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.278 -0.028 18531 12942 1 50 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.779 1.021 18531 12943 1 50 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.470 0.230 18531 12944 1 50 . 1 1 33 33 TYR H H 33 8.080 8.080 7.765 0.315 18531 12945 1 50 . 1 1 34 34 ALA N N 34 122.300 122.300 122.163 0.137 18531 12946 1 50 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.047 -0.267 18531 12947 1 50 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.883 1.217 18531 12948 1 50 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.657 -0.957 18531 12949 1 50 . 1 1 34 34 ALA H H 34 9.210 9.210 8.182 1.028 18531 12950 1 50 . 1 1 35 35 ASN N N 35 117.700 117.700 117.858 -0.158 18531 12951 1 50 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.509 -0.049 18531 12952 1 50 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.508 1.492 18531 12953 1 50 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.287 0.713 18531 12954 1 50 . 1 1 35 35 ASN H H 35 8.390 8.390 8.521 -0.131 18531 12955 1 50 . 1 1 36 36 ASP N N 36 121.100 121.100 119.724 1.376 18531 12956 1 50 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.572 -0.212 18531 12957 1 50 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.062 0.638 18531 12958 1 50 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.084 -1.083 18531 12959 1 50 . 1 1 36 36 ASP H H 36 8.830 8.830 7.981 0.849 18531 12960 1 50 . 1 1 37 37 ASN N N 37 115.200 115.200 116.265 -1.065 18531 12961 1 50 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.736 -0.126 18531 12962 1 50 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.541 1.159 18531 12963 1 50 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.406 0.594 18531 12964 1 50 . 1 1 37 37 ASN H H 37 7.390 7.390 7.775 -0.385 18531 12965 1 50 . 1 1 38 38 GLY N N 38 108.200 108.200 109.166 -0.966 18531 12966 1 50 . 1 1 38 38 GLY CA C 38 46.400 46.400 44.885 1.515 18531 12967 1 50 . 1 1 38 38 GLY H H 38 7.800 7.800 7.429 0.371 18531 12968 1 50 . 1 1 39 39 VAL N N 39 120.800 120.800 117.421 3.379 18531 12969 1 50 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.773 0.367 18531 12970 1 50 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.768 -1.068 18531 12971 1 50 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.074 1.226 18531 12972 1 50 . 1 1 39 39 VAL H H 39 8.120 8.120 8.176 -0.056 18531 12973 1 50 . 1 1 40 40 ASP N N 40 128.000 128.000 123.859 4.141 18531 12974 1 50 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.783 0.107 18531 12975 1 50 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.057 -1.257 18531 12976 1 50 . 1 1 40 40 ASP CB C 40 43.100 43.100 42.810 0.290 18531 12977 1 50 . 1 1 40 40 ASP H H 40 8.770 8.770 8.233 0.537 18531 12978 1 50 . 1 1 41 41 GLY N N 41 107.100 107.100 111.365 -4.265 18531 12979 1 50 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.062 0.338 18531 12980 1 50 . 1 1 41 41 GLY H H 41 7.910 7.910 8.018 -0.108 18531 12981 1 50 . 1 1 42 42 VAL N N 42 120.300 120.300 121.200 -0.900 18531 12982 1 50 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.307 0.073 18531 12983 1 50 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.872 0.228 18531 12984 1 50 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.277 0.123 18531 12985 1 50 . 1 1 42 42 VAL H H 42 8.250 8.250 8.385 -0.135 18531 12986 1 50 . 1 1 43 43 TRP N N 43 130.700 130.700 124.160 6.540 18531 12987 1 50 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.286 0.074 18531 12988 1 50 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.594 2.006 18531 12989 1 50 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.804 -0.604 18531 12990 1 50 . 1 1 43 43 TRP H H 43 9.360 9.360 8.441 0.919 18531 12991 1 50 . 1 1 44 44 THR N N 44 114.500 114.500 119.951 -5.451 18531 12992 1 50 . 1 1 44 44 THR HA H 44 4.830 4.830 4.673 0.157 18531 12993 1 50 . 1 1 44 44 THR CA C 44 60.300 60.300 60.758 -0.458 18531 12994 1 50 . 1 1 44 44 THR CB C 44 72.100 72.100 68.761 3.339 18531 12995 1 50 . 1 1 44 44 THR H H 44 9.400 9.400 8.562 0.838 18531 12996 1 50 . 1 1 45 45 TYR N N 45 120.100 120.100 126.537 -6.437 18531 12997 1 50 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.192 -0.222 18531 12998 1 50 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.941 2.059 18531 12999 1 50 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.832 0.768 18531 13000 1 50 . 1 1 45 45 TYR H H 45 8.580 8.580 8.363 0.217 18531 13001 1 50 . 1 1 46 46 ASP N N 46 128.300 128.300 123.823 4.477 18531 13002 1 50 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.478 0.102 18531 13003 1 50 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.852 0.048 18531 13004 1 50 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.220 -1.120 18531 13005 1 50 . 1 1 46 46 ASP H H 46 7.580 7.580 7.984 -0.404 18531 13006 1 50 . 1 1 47 47 ASP N N 47 124.800 124.800 124.550 0.250 18531 13007 1 50 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.793 -0.683 18531 13008 1 50 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.507 0.993 18531 13009 1 50 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.178 0.922 18531 13010 1 50 . 1 1 47 47 ASP H H 47 8.590 8.590 8.213 0.377 18531 13011 1 50 . 1 1 48 48 ALA N N 48 119.700 119.700 122.391 -2.691 18531 13012 1 50 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.363 -0.273 18531 13013 1 50 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.525 1.476 18531 13014 1 50 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.624 -1.324 18531 13015 1 50 . 1 1 48 48 ALA H H 48 8.340 8.340 8.104 0.236 18531 13016 1 50 . 1 1 49 49 THR N N 49 103.200 103.200 114.876 -11.676 18531 13017 1 50 . 1 1 49 49 THR HA H 49 4.390 4.390 4.395 -0.005 18531 13018 1 50 . 1 1 49 49 THR CA C 49 60.200 60.200 60.439 -0.239 18531 13019 1 50 . 1 1 49 49 THR CB C 49 70.000 70.000 68.847 1.153 18531 13020 1 50 . 1 1 49 49 THR H H 49 7.000 7.000 8.163 -1.163 18531 13021 1 50 . 1 1 50 50 LYS N N 50 123.100 123.100 116.680 6.420 18531 13022 1 50 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.280 -0.090 18531 13023 1 50 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.204 -0.604 18531 13024 1 50 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.122 -0.522 18531 13025 1 50 . 1 1 50 50 LYS H H 50 7.860 7.860 8.015 -0.155 18531 13026 1 50 . 1 1 51 51 THR N N 51 111.200 111.200 116.658 -5.458 18531 13027 1 50 . 1 1 51 51 THR HA H 51 5.490 5.490 5.040 0.450 18531 13028 1 50 . 1 1 51 51 THR CA C 51 62.300 62.300 62.400 -0.100 18531 13029 1 50 . 1 1 51 51 THR CB C 51 72.100 72.100 70.451 1.649 18531 13030 1 50 . 1 1 51 51 THR H H 51 7.390 7.390 7.791 -0.401 18531 13031 1 50 . 1 1 52 52 PHE N N 52 131.000 131.000 129.195 1.805 18531 13032 1 50 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.213 0.417 18531 13033 1 50 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.535 0.765 18531 13034 1 50 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.436 2.164 18531 13035 1 50 . 1 1 52 52 PHE H H 52 10.390 10.390 9.573 0.817 18531 13036 1 50 . 1 1 53 53 THR N N 53 117.400 117.400 121.525 -4.125 18531 13037 1 50 . 1 1 53 53 THR HA H 53 5.270 5.270 5.149 0.121 18531 13038 1 50 . 1 1 53 53 THR CA C 53 61.200 61.200 61.571 -0.371 18531 13039 1 50 . 1 1 53 53 THR CB C 53 71.000 71.000 70.683 0.317 18531 13040 1 50 . 1 1 53 53 THR H H 53 9.180 9.180 9.341 -0.161 18531 13041 1 50 . 1 1 54 54 VAL N N 54 123.000 123.000 127.255 -4.255 18531 13042 1 50 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.554 -0.094 18531 13043 1 50 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.727 -2.627 18531 13044 1 50 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.556 -0.256 18531 13045 1 50 . 1 1 54 54 VAL H H 54 8.280 8.280 9.121 -0.841 18531 13046 1 50 . 1 1 55 55 THR N N 55 123.900 123.900 124.736 -0.836 18531 13047 1 50 . 1 1 55 55 THR HA H 55 4.700 4.700 4.510 0.190 18531 13048 1 50 . 1 1 55 55 THR CA C 55 61.200 61.200 62.241 -1.041 18531 13049 1 50 . 1 1 55 55 THR CB C 55 70.700 70.700 69.581 1.119 18531 13050 1 50 . 1 1 55 55 THR H H 55 8.320 8.320 8.205 0.115 18531 13051 1 51 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.855 0.195 18531 13052 1 51 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.785 -0.185 18531 13053 1 51 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.144 -1.444 18531 13054 1 51 . 1 1 2 2 GLN H H 2 8.410 8.410 8.149 0.261 18531 13055 1 51 . 1 1 3 3 TYR N N 3 124.000 124.000 123.439 0.561 18531 13056 1 51 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.249 0.111 18531 13057 1 51 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.433 0.667 18531 13058 1 51 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.738 0.862 18531 13059 1 51 . 1 1 3 3 TYR H H 3 9.070 9.070 9.598 -0.528 18531 13060 1 51 . 1 1 4 4 LYS N N 4 122.500 122.500 121.076 1.424 18531 13061 1 51 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.862 0.358 18531 13062 1 51 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.165 0.835 18531 13063 1 51 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.146 -0.146 18531 13064 1 51 . 1 1 4 4 LYS H H 4 9.100 9.100 8.536 0.564 18531 13065 1 51 . 1 1 5 5 LEU N N 5 126.400 126.400 126.144 0.256 18531 13066 1 51 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.487 0.483 18531 13067 1 51 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.785 -0.985 18531 13068 1 51 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.460 -0.860 18531 13069 1 51 . 1 1 5 5 LEU H H 5 8.620 8.620 8.158 0.462 18531 13070 1 51 . 1 1 6 6 VAL N N 6 127.000 127.000 128.902 -1.902 18531 13071 1 51 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.210 -0.050 18531 13072 1 51 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.372 0.928 18531 13073 1 51 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.421 1.279 18531 13074 1 51 . 1 1 6 6 VAL H H 6 9.190 9.190 8.933 0.257 18531 13075 1 51 . 1 1 7 7 ILE N N 7 125.400 125.400 128.786 -3.386 18531 13076 1 51 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.319 -0.229 18531 13077 1 51 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.026 -0.326 18531 13078 1 51 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.138 -0.138 18531 13079 1 51 . 1 1 7 7 ILE H H 7 8.800 8.800 7.678 1.122 18531 13080 1 51 . 1 1 8 8 ASN N N 8 128.900 128.900 125.488 3.412 18531 13081 1 51 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.034 0.246 18531 13082 1 51 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.496 -1.696 18531 13083 1 51 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.637 -1.537 18531 13084 1 51 . 1 1 8 8 ASN H H 8 8.990 8.990 8.845 0.145 18531 13085 1 51 . 1 1 9 9 GLY N N 9 110.200 110.200 107.748 2.452 18531 13086 1 51 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.589 1.111 18531 13087 1 51 . 1 1 9 9 GLY H H 9 7.920 7.920 7.717 0.203 18531 13088 1 51 . 1 1 10 10 LYS N N 10 120.700 120.700 120.069 0.631 18531 13089 1 51 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.164 -0.104 18531 13090 1 51 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.018 0.182 18531 13091 1 51 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.647 0.253 18531 13092 1 51 . 1 1 10 10 LYS H H 10 9.520 9.520 8.897 0.623 18531 13093 1 51 . 1 1 11 11 THR N N 11 108.900 108.900 109.876 -0.976 18531 13094 1 51 . 1 1 11 11 THR HA H 11 4.360 4.360 4.319 0.041 18531 13095 1 51 . 1 1 11 11 THR CA C 11 62.000 62.000 61.827 0.173 18531 13096 1 51 . 1 1 11 11 THR CB C 11 69.800 69.800 69.527 0.273 18531 13097 1 51 . 1 1 11 11 THR H H 11 8.790 8.790 7.876 0.914 18531 13098 1 51 . 1 1 12 12 LEU N N 12 125.700 125.700 123.894 1.806 18531 13099 1 51 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.479 -0.039 18531 13100 1 51 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.138 -0.138 18531 13101 1 51 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.093 0.207 18531 13102 1 51 . 1 1 12 12 LEU H H 12 7.580 7.580 8.025 -0.445 18531 13103 1 51 . 1 1 13 13 LYS N N 13 123.500 123.500 124.940 -1.440 18531 13104 1 51 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.593 0.527 18531 13105 1 51 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.496 -2.596 18531 13106 1 51 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.373 1.427 18531 13107 1 51 . 1 1 13 13 LYS H H 13 8.140 8.140 8.584 -0.444 18531 13108 1 51 . 1 1 14 14 GLY N N 14 109.100 109.100 109.132 -0.032 18531 13109 1 51 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.327 0.873 18531 13110 1 51 . 1 1 14 14 GLY H H 14 8.340 8.340 8.059 0.281 18531 13111 1 51 . 1 1 15 15 GLU N N 15 118.200 118.200 120.538 -2.338 18531 13112 1 51 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.111 0.489 18531 13113 1 51 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.379 -0.879 18531 13114 1 51 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.719 1.081 18531 13115 1 51 . 1 1 15 15 GLU H H 15 8.390 8.390 8.542 -0.152 18531 13116 1 51 . 1 1 16 16 THR N N 16 115.600 115.600 121.271 -5.671 18531 13117 1 51 . 1 1 16 16 THR HA H 16 4.730 4.730 4.596 0.134 18531 13118 1 51 . 1 1 16 16 THR CA C 16 60.600 60.600 61.639 -1.039 18531 13119 1 51 . 1 1 16 16 THR CB C 16 69.500 69.500 68.736 0.764 18531 13120 1 51 . 1 1 16 16 THR H H 16 8.820 8.820 8.366 0.454 18531 13121 1 51 . 1 1 17 17 THR N N 17 111.800 111.800 117.460 -5.660 18531 13122 1 51 . 1 1 17 17 THR HA H 17 5.790 5.790 5.234 0.556 18531 13123 1 51 . 1 1 17 17 THR CA C 17 59.800 59.800 60.466 -0.666 18531 13124 1 51 . 1 1 17 17 THR CB C 17 73.100 73.100 70.773 2.327 18531 13125 1 51 . 1 1 17 17 THR H H 17 8.140 8.140 8.561 -0.421 18531 13126 1 51 . 1 1 18 18 THR N N 18 115.100 115.100 118.081 -2.981 18531 13127 1 51 . 1 1 18 18 THR HA H 18 4.640 4.640 4.596 0.044 18531 13128 1 51 . 1 1 18 18 THR CA C 18 61.900 61.900 61.300 0.600 18531 13129 1 51 . 1 1 18 18 THR CB C 18 70.000 70.000 70.012 -0.012 18531 13130 1 51 . 1 1 18 18 THR H H 18 8.930 8.930 8.909 0.021 18531 13131 1 51 . 1 1 19 19 LYS N N 19 124.300 124.300 119.806 4.494 18531 13132 1 51 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.891 0.439 18531 13133 1 51 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.190 -0.190 18531 13134 1 51 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.835 -1.035 18531 13135 1 51 . 1 1 19 19 LYS H H 19 7.950 7.950 8.309 -0.359 18531 13136 1 51 . 1 1 20 20 ALA N N 20 124.600 124.600 124.090 0.510 18531 13137 1 51 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.509 0.271 18531 13138 1 51 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.445 -0.545 18531 13139 1 51 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.271 2.529 18531 13140 1 51 . 1 1 20 20 ALA H H 20 9.110 9.110 8.151 0.959 18531 13141 1 51 . 1 1 21 21 VAL N N 21 115.300 115.300 118.850 -3.550 18531 13142 1 51 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.908 0.202 18531 13143 1 51 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.379 -1.079 18531 13144 1 51 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.915 0.286 18531 13145 1 51 . 1 1 21 21 VAL H H 21 8.480 8.480 8.462 0.018 18531 13146 1 51 . 1 1 22 22 ASP N N 22 115.200 115.200 113.553 1.647 18531 13147 1 51 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.899 -0.189 18531 13148 1 51 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.684 -0.284 18531 13149 1 51 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.739 0.461 18531 13150 1 51 . 1 1 22 22 ASP H H 22 7.310 7.310 7.575 -0.265 18531 13151 1 51 . 1 1 23 23 ALA N N 23 121.000 121.000 122.354 -1.354 18531 13152 1 51 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.804 -0.464 18531 13153 1 51 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.947 -0.047 18531 13154 1 51 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.297 -0.797 18531 13155 1 51 . 1 1 23 23 ALA H H 23 8.370 8.370 8.809 -0.439 18531 13156 1 51 . 1 1 24 24 GLU N N 24 118.900 118.900 118.395 0.505 18531 13157 1 51 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.878 -0.018 18531 13158 1 51 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.236 0.464 18531 13159 1 51 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.841 0.259 18531 13160 1 51 . 1 1 24 24 GLU H H 24 8.410 8.410 8.417 -0.007 18531 13161 1 51 . 1 1 25 25 THR N N 25 117.400 117.400 112.256 5.144 18531 13162 1 51 . 1 1 25 25 THR HA H 25 3.670 3.670 4.285 -0.615 18531 13163 1 51 . 1 1 25 25 THR CA C 25 66.800 66.800 63.811 2.989 18531 13164 1 51 . 1 1 25 25 THR CB C 25 68.000 68.000 69.202 -1.202 18531 13165 1 51 . 1 1 25 25 THR H H 25 8.380 8.380 7.647 0.733 18531 13166 1 51 . 1 1 26 26 ALA N N 26 125.100 125.100 124.833 0.267 18531 13167 1 51 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.640 -0.450 18531 13168 1 51 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.430 -0.430 18531 13169 1 51 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.533 -0.233 18531 13170 1 51 . 1 1 26 26 ALA H H 26 7.220 7.220 8.205 -0.985 18531 13171 1 51 . 1 1 27 27 GLU N N 27 117.400 117.400 117.742 -0.342 18531 13172 1 51 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.863 -1.273 18531 13173 1 51 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.423 0.277 18531 13174 1 51 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.468 -0.268 18531 13175 1 51 . 1 1 27 27 GLU H H 27 8.370 8.370 8.192 0.178 18531 13176 1 51 . 1 1 28 28 LYS N N 28 116.300 116.300 117.312 -1.012 18531 13177 1 51 . 1 1 28 28 LYS HA H 28 3.670 3.670 4.026 -0.356 18531 13178 1 51 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.358 1.242 18531 13179 1 51 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.469 -0.270 18531 13180 1 51 . 1 1 28 28 LYS H H 28 7.170 7.170 7.594 -0.424 18531 13181 1 51 . 1 1 29 29 ALA N N 29 122.000 122.000 120.965 1.035 18531 13182 1 51 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.111 -0.021 18531 13183 1 51 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.513 0.187 18531 13184 1 51 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.604 -1.104 18531 13185 1 51 . 1 1 29 29 ALA H H 29 7.200 7.200 7.693 -0.493 18531 13186 1 51 . 1 1 30 30 PHE N N 30 119.600 119.600 117.630 1.970 18531 13187 1 51 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.156 0.624 18531 13188 1 51 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.148 -3.547 18531 13189 1 51 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.315 -0.915 18531 13190 1 51 . 1 1 30 30 PHE H H 30 8.610 8.610 8.542 0.068 18531 13191 1 51 . 1 1 31 31 LYS N N 31 122.800 122.800 117.286 5.514 18531 13192 1 51 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.817 0.273 18531 13193 1 51 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.064 1.636 18531 13194 1 51 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.656 -0.056 18531 13195 1 51 . 1 1 31 31 LYS H H 31 9.030 9.030 7.668 1.362 18531 13196 1 51 . 1 1 32 32 GLN N N 32 119.600 119.600 118.060 1.540 18531 13197 1 51 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.258 -0.228 18531 13198 1 51 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.530 1.170 18531 13199 1 51 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.200 -1.100 18531 13200 1 51 . 1 1 32 32 GLN H H 32 7.510 7.510 8.098 -0.588 18531 13201 1 51 . 1 1 33 33 TYR N N 33 120.400 120.400 122.337 -1.937 18531 13202 1 51 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.196 0.054 18531 13203 1 51 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.557 0.243 18531 13204 1 51 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.743 -0.043 18531 13205 1 51 . 1 1 33 33 TYR H H 33 8.080 8.080 7.748 0.332 18531 13206 1 51 . 1 1 34 34 ALA N N 34 122.300 122.300 119.853 2.447 18531 13207 1 51 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.894 -0.114 18531 13208 1 51 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.751 0.349 18531 13209 1 51 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.456 -0.756 18531 13210 1 51 . 1 1 34 34 ALA H H 34 9.210 9.210 8.361 0.849 18531 13211 1 51 . 1 1 35 35 ASN N N 35 117.700 117.700 115.713 1.987 18531 13212 1 51 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531 13213 1 51 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.973 1.027 18531 13214 1 51 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.267 0.733 18531 13215 1 51 . 1 1 35 35 ASN H H 35 8.390 8.390 8.222 0.168 18531 13216 1 51 . 1 1 36 36 ASP N N 36 121.100 121.100 118.988 2.112 18531 13217 1 51 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.667 -0.307 18531 13218 1 51 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.352 1.348 18531 13219 1 51 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.530 -0.530 18531 13220 1 51 . 1 1 36 36 ASP H H 36 8.830 8.830 8.062 0.768 18531 13221 1 51 . 1 1 37 37 ASN N N 37 115.200 115.200 116.161 -0.961 18531 13222 1 51 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.784 -0.174 18531 13223 1 51 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.677 1.023 18531 13224 1 51 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.942 1.058 18531 13225 1 51 . 1 1 37 37 ASN H H 37 7.390 7.390 7.634 -0.244 18531 13226 1 51 . 1 1 38 38 GLY N N 38 108.200 108.200 109.083 -0.883 18531 13227 1 51 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.316 0.084 18531 13228 1 51 . 1 1 38 38 GLY H H 38 7.800 7.800 7.617 0.183 18531 13229 1 51 . 1 1 39 39 VAL N N 39 120.800 120.800 119.776 1.024 18531 13230 1 51 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.304 -0.164 18531 13231 1 51 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.162 0.538 18531 13232 1 51 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.848 -1.548 18531 13233 1 51 . 1 1 39 39 VAL H H 39 8.120 8.120 7.838 0.282 18531 13234 1 51 . 1 1 40 40 ASP N N 40 128.000 128.000 123.002 4.998 18531 13235 1 51 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.784 0.106 18531 13236 1 51 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.889 -1.089 18531 13237 1 51 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.455 -0.355 18531 13238 1 51 . 1 1 40 40 ASP H H 40 8.770 8.770 8.367 0.403 18531 13239 1 51 . 1 1 41 41 GLY N N 41 107.100 107.100 110.368 -3.268 18531 13240 1 51 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.841 0.559 18531 13241 1 51 . 1 1 41 41 GLY H H 41 7.910 7.910 7.998 -0.088 18531 13242 1 51 . 1 1 42 42 VAL N N 42 120.300 120.300 118.109 2.191 18531 13243 1 51 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.511 -0.131 18531 13244 1 51 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.976 1.124 18531 13245 1 51 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.716 0.684 18531 13246 1 51 . 1 1 42 42 VAL H H 42 8.250 8.250 7.820 0.430 18531 13247 1 51 . 1 1 43 43 TRP N N 43 130.700 130.700 128.176 2.524 18531 13248 1 51 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.131 0.229 18531 13249 1 51 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.291 1.309 18531 13250 1 51 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.673 -0.473 18531 13251 1 51 . 1 1 43 43 TRP H H 43 9.360 9.360 8.657 0.703 18531 13252 1 51 . 1 1 44 44 THR N N 44 114.500 114.500 118.713 -4.213 18531 13253 1 51 . 1 1 44 44 THR HA H 44 4.830 4.830 4.565 0.265 18531 13254 1 51 . 1 1 44 44 THR CA C 44 60.300 60.300 60.933 -0.633 18531 13255 1 51 . 1 1 44 44 THR CB C 44 72.100 72.100 70.204 1.896 18531 13256 1 51 . 1 1 44 44 THR H H 44 9.400 9.400 8.391 1.009 18531 13257 1 51 . 1 1 45 45 TYR N N 45 120.100 120.100 127.417 -7.317 18531 13258 1 51 . 1 1 45 45 TYR HA H 45 4.970 4.970 3.990 0.980 18531 13259 1 51 . 1 1 45 45 TYR CA C 45 57.000 57.000 57.121 -0.121 18531 13260 1 51 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.109 1.491 18531 13261 1 51 . 1 1 45 45 TYR H H 45 8.580 8.580 8.644 -0.064 18531 13262 1 51 . 1 1 46 46 ASP N N 46 128.300 128.300 127.093 1.207 18531 13263 1 51 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.481 0.099 18531 13264 1 51 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.214 -0.314 18531 13265 1 51 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.127 -0.027 18531 13266 1 51 . 1 1 46 46 ASP H H 46 7.580 7.580 7.969 -0.389 18531 13267 1 51 . 1 1 47 47 ASP N N 47 124.800 124.800 123.534 1.266 18531 13268 1 51 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.341 -0.231 18531 13269 1 51 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.322 1.177 18531 13270 1 51 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.457 1.643 18531 13271 1 51 . 1 1 47 47 ASP H H 47 8.590 8.590 8.360 0.230 18531 13272 1 51 . 1 1 48 48 ALA N N 48 119.700 119.700 122.529 -2.829 18531 13273 1 51 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.336 -0.246 18531 13274 1 51 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.014 0.986 18531 13275 1 51 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.279 -1.979 18531 13276 1 51 . 1 1 48 48 ALA H H 48 8.340 8.340 7.635 0.705 18531 13277 1 51 . 1 1 49 49 THR N N 49 103.200 103.200 110.683 -7.483 18531 13278 1 51 . 1 1 49 49 THR HA H 49 4.390 4.390 4.344 0.046 18531 13279 1 51 . 1 1 49 49 THR CA C 49 60.200 60.200 60.565 -0.365 18531 13280 1 51 . 1 1 49 49 THR CB C 49 70.000 70.000 69.054 0.946 18531 13281 1 51 . 1 1 49 49 THR H H 49 7.000 7.000 7.701 -0.701 18531 13282 1 51 . 1 1 50 50 LYS N N 50 123.100 123.100 118.030 5.070 18531 13283 1 51 . 1 1 50 50 LYS HA H 50 4.190 4.190 3.940 0.250 18531 13284 1 51 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.155 -0.555 18531 13285 1 51 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.168 -0.568 18531 13286 1 51 . 1 1 50 50 LYS H H 50 7.860 7.860 7.692 0.168 18531 13287 1 51 . 1 1 51 51 THR N N 51 111.200 111.200 114.064 -2.864 18531 13288 1 51 . 1 1 51 51 THR HA H 51 5.490 5.490 4.801 0.689 18531 13289 1 51 . 1 1 51 51 THR CA C 51 62.300 62.300 61.050 1.250 18531 13290 1 51 . 1 1 51 51 THR CB C 51 72.100 72.100 71.487 0.613 18531 13291 1 51 . 1 1 51 51 THR H H 51 7.390 7.390 7.572 -0.182 18531 13292 1 51 . 1 1 52 52 PHE N N 52 131.000 131.000 124.231 6.769 18531 13293 1 51 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.687 -0.057 18531 13294 1 51 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.431 1.869 18531 13295 1 51 . 1 1 52 52 PHE CB C 52 42.600 42.600 43.421 -0.821 18531 13296 1 51 . 1 1 52 52 PHE H H 52 10.390 10.390 8.985 1.405 18531 13297 1 51 . 1 1 53 53 THR N N 53 117.400 117.400 118.662 -1.262 18531 13298 1 51 . 1 1 53 53 THR HA H 53 5.270 5.270 5.040 0.230 18531 13299 1 51 . 1 1 53 53 THR CA C 53 61.200 61.200 61.817 -0.617 18531 13300 1 51 . 1 1 53 53 THR CB C 53 71.000 71.000 71.030 -0.030 18531 13301 1 51 . 1 1 53 53 THR H H 53 9.180 9.180 8.455 0.725 18531 13302 1 51 . 1 1 54 54 VAL N N 54 123.000 123.000 126.153 -3.153 18531 13303 1 51 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.672 -0.212 18531 13304 1 51 . 1 1 54 54 VAL CA C 54 58.100 58.100 58.828 -0.728 18531 13305 1 51 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.921 -1.621 18531 13306 1 51 . 1 1 54 54 VAL H H 54 8.280 8.280 8.601 -0.321 18531 13307 1 51 . 1 1 55 55 THR N N 55 123.900 123.900 123.630 0.270 18531 13308 1 51 . 1 1 55 55 THR HA H 55 4.700 4.700 4.537 0.163 18531 13309 1 51 . 1 1 55 55 THR CA C 55 61.200 61.200 60.337 0.863 18531 13310 1 51 . 1 1 55 55 THR CB C 55 70.700 70.700 69.480 1.220 18531 13311 1 51 . 1 1 55 55 THR H H 55 8.320 8.320 8.453 -0.133 18531 13312 1 52 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.058 -0.008 18531 13313 1 52 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.368 1.232 18531 13314 1 52 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.915 0.786 18531 13315 1 52 . 1 1 2 2 GLN H H 2 8.410 8.410 8.055 0.355 18531 13316 1 52 . 1 1 3 3 TYR N N 3 124.000 124.000 123.392 0.608 18531 13317 1 52 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.892 0.468 18531 13318 1 52 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.901 0.199 18531 13319 1 52 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.746 1.854 18531 13320 1 52 . 1 1 3 3 TYR H H 3 9.070 9.070 8.714 0.356 18531 13321 1 52 . 1 1 4 4 LYS N N 4 122.500 122.500 121.945 0.555 18531 13322 1 52 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.812 0.408 18531 13323 1 52 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.799 0.201 18531 13324 1 52 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.103 -0.103 18531 13325 1 52 . 1 1 4 4 LYS H H 4 9.100 9.100 8.681 0.419 18531 13326 1 52 . 1 1 5 5 LEU N N 5 126.400 126.400 128.356 -1.956 18531 13327 1 52 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.100 -0.130 18531 13328 1 52 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.012 -0.212 18531 13329 1 52 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.263 -0.663 18531 13330 1 52 . 1 1 5 5 LEU H H 5 8.620 8.620 8.552 0.068 18531 13331 1 52 . 1 1 6 6 VAL N N 6 127.000 127.000 128.717 -1.717 18531 13332 1 52 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.243 -0.083 18531 13333 1 52 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.219 1.081 18531 13334 1 52 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.634 0.066 18531 13335 1 52 . 1 1 6 6 VAL H H 6 9.190 9.190 9.178 0.012 18531 13336 1 52 . 1 1 7 7 ILE N N 7 125.400 125.400 127.901 -2.501 18531 13337 1 52 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.583 -0.493 18531 13338 1 52 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.337 0.363 18531 13339 1 52 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.913 -0.913 18531 13340 1 52 . 1 1 7 7 ILE H H 7 8.800 8.800 7.710 1.090 18531 13341 1 52 . 1 1 8 8 ASN N N 8 128.900 128.900 125.090 3.810 18531 13342 1 52 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.027 0.253 18531 13343 1 52 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.499 -1.699 18531 13344 1 52 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.637 -1.537 18531 13345 1 52 . 1 1 8 8 ASN H H 8 8.990 8.990 8.744 0.246 18531 13346 1 52 . 1 1 9 9 GLY N N 9 110.200 110.200 108.337 1.863 18531 13347 1 52 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.030 0.670 18531 13348 1 52 . 1 1 9 9 GLY H H 9 7.920 7.920 7.734 0.186 18531 13349 1 52 . 1 1 10 10 LYS N N 10 120.700 120.700 118.604 2.096 18531 13350 1 52 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.172 -0.112 18531 13351 1 52 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.608 0.592 18531 13352 1 52 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.445 0.455 18531 13353 1 52 . 1 1 10 10 LYS H H 10 9.520 9.520 8.656 0.864 18531 13354 1 52 . 1 1 11 11 THR N N 11 108.900 108.900 111.613 -2.713 18531 13355 1 52 . 1 1 11 11 THR HA H 11 4.360 4.360 4.287 0.073 18531 13356 1 52 . 1 1 11 11 THR CA C 11 62.000 62.000 61.987 0.013 18531 13357 1 52 . 1 1 11 11 THR CB C 11 69.800 69.800 69.695 0.105 18531 13358 1 52 . 1 1 11 11 THR H H 11 8.790 8.790 7.890 0.900 18531 13359 1 52 . 1 1 12 12 LEU N N 12 125.700 125.700 123.768 1.932 18531 13360 1 52 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.410 0.030 18531 13361 1 52 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.071 -0.071 18531 13362 1 52 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.965 0.335 18531 13363 1 52 . 1 1 12 12 LEU H H 12 7.580 7.580 8.083 -0.503 18531 13364 1 52 . 1 1 13 13 LYS N N 13 123.500 123.500 125.336 -1.836 18531 13365 1 52 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.533 0.587 18531 13366 1 52 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.127 -2.227 18531 13367 1 52 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.381 1.419 18531 13368 1 52 . 1 1 13 13 LYS H H 13 8.140 8.140 8.549 -0.409 18531 13369 1 52 . 1 1 14 14 GLY N N 14 109.100 109.100 109.444 -0.344 18531 13370 1 52 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.317 0.883 18531 13371 1 52 . 1 1 14 14 GLY H H 14 8.340 8.340 7.991 0.349 18531 13372 1 52 . 1 1 15 15 GLU N N 15 118.200 118.200 119.875 -1.675 18531 13373 1 52 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.146 0.454 18531 13374 1 52 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.379 -0.879 18531 13375 1 52 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.670 1.130 18531 13376 1 52 . 1 1 15 15 GLU H H 15 8.390 8.390 8.458 -0.068 18531 13377 1 52 . 1 1 16 16 THR N N 16 115.600 115.600 120.884 -5.284 18531 13378 1 52 . 1 1 16 16 THR HA H 16 4.730 4.730 4.638 0.092 18531 13379 1 52 . 1 1 16 16 THR CA C 16 60.600 60.600 61.766 -1.166 18531 13380 1 52 . 1 1 16 16 THR CB C 16 69.500 69.500 69.951 -0.451 18531 13381 1 52 . 1 1 16 16 THR H H 16 8.820 8.820 8.446 0.374 18531 13382 1 52 . 1 1 17 17 THR N N 17 111.800 111.800 118.384 -6.584 18531 13383 1 52 . 1 1 17 17 THR HA H 17 5.790 5.790 5.489 0.301 18531 13384 1 52 . 1 1 17 17 THR CA C 17 59.800 59.800 60.304 -0.504 18531 13385 1 52 . 1 1 17 17 THR CB C 17 73.100 73.100 70.928 2.172 18531 13386 1 52 . 1 1 17 17 THR H H 17 8.140 8.140 8.323 -0.183 18531 13387 1 52 . 1 1 18 18 THR N N 18 115.100 115.100 117.790 -2.690 18531 13388 1 52 . 1 1 18 18 THR HA H 18 4.640 4.640 4.614 0.026 18531 13389 1 52 . 1 1 18 18 THR CA C 18 61.900 61.900 61.034 0.866 18531 13390 1 52 . 1 1 18 18 THR CB C 18 70.000 70.000 70.088 -0.088 18531 13391 1 52 . 1 1 18 18 THR H H 18 8.930 8.930 9.217 -0.287 18531 13392 1 52 . 1 1 19 19 LYS N N 19 124.300 124.300 121.430 2.870 18531 13393 1 52 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.189 0.141 18531 13394 1 52 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.839 0.161 18531 13395 1 52 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.121 -1.321 18531 13396 1 52 . 1 1 19 19 LYS H H 19 7.950 7.950 8.315 -0.364 18531 13397 1 52 . 1 1 20 20 ALA N N 20 124.600 124.600 127.952 -3.352 18531 13398 1 52 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.655 0.125 18531 13399 1 52 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.636 -0.736 18531 13400 1 52 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.869 1.931 18531 13401 1 52 . 1 1 20 20 ALA H H 20 9.110 9.110 8.722 0.388 18531 13402 1 52 . 1 1 21 21 VAL N N 21 115.300 115.300 118.748 -3.448 18531 13403 1 52 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.001 0.109 18531 13404 1 52 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.265 -0.965 18531 13405 1 52 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.039 0.161 18531 13406 1 52 . 1 1 21 21 VAL H H 21 8.480 8.480 8.476 0.004 18531 13407 1 52 . 1 1 22 22 ASP N N 22 115.200 115.200 114.224 0.976 18531 13408 1 52 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.872 -0.162 18531 13409 1 52 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.935 -0.535 18531 13410 1 52 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.268 -0.068 18531 13411 1 52 . 1 1 22 22 ASP H H 22 7.310 7.310 7.589 -0.279 18531 13412 1 52 . 1 1 23 23 ALA N N 23 121.000 121.000 123.309 -2.309 18531 13413 1 52 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.300 0.040 18531 13414 1 52 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.224 -0.324 18531 13415 1 52 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.690 -1.190 18531 13416 1 52 . 1 1 23 23 ALA H H 23 8.370 8.370 8.694 -0.324 18531 13417 1 52 . 1 1 24 24 GLU N N 24 118.900 118.900 118.728 0.172 18531 13418 1 52 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.869 -0.009 18531 13419 1 52 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.325 0.375 18531 13420 1 52 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.858 0.242 18531 13421 1 52 . 1 1 24 24 GLU H H 24 8.410 8.410 8.609 -0.199 18531 13422 1 52 . 1 1 25 25 THR N N 25 117.400 117.400 115.299 2.101 18531 13423 1 52 . 1 1 25 25 THR HA H 25 3.670 3.670 4.005 -0.335 18531 13424 1 52 . 1 1 25 25 THR CA C 25 66.800 66.800 66.070 0.730 18531 13425 1 52 . 1 1 25 25 THR CB C 25 68.000 68.000 68.826 -0.826 18531 13426 1 52 . 1 1 25 25 THR H H 25 8.380 8.380 7.891 0.489 18531 13427 1 52 . 1 1 26 26 ALA N N 26 125.100 125.100 124.364 0.736 18531 13428 1 52 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.433 -0.243 18531 13429 1 52 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.758 0.242 18531 13430 1 52 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.152 0.148 18531 13431 1 52 . 1 1 26 26 ALA H H 26 7.220 7.220 7.379 -0.159 18531 13432 1 52 . 1 1 27 27 GLU N N 27 117.400 117.400 117.617 -0.217 18531 13433 1 52 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.970 -1.380 18531 13434 1 52 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.708 -0.007 18531 13435 1 52 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.507 -0.307 18531 13436 1 52 . 1 1 27 27 GLU H H 27 8.370 8.370 8.436 -0.066 18531 13437 1 52 . 1 1 28 28 LYS N N 28 116.300 116.300 118.668 -2.368 18531 13438 1 52 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.997 -0.327 18531 13439 1 52 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.554 1.046 18531 13440 1 52 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.403 -0.203 18531 13441 1 52 . 1 1 28 28 LYS H H 28 7.170 7.170 7.306 -0.136 18531 13442 1 52 . 1 1 29 29 ALA N N 29 122.000 122.000 122.449 -0.449 18531 13443 1 52 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.035 0.055 18531 13444 1 52 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.739 -0.039 18531 13445 1 52 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.005 -0.505 18531 13446 1 52 . 1 1 29 29 ALA H H 29 7.200 7.200 7.316 -0.116 18531 13447 1 52 . 1 1 30 30 PHE N N 30 119.600 119.600 117.697 1.903 18531 13448 1 52 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.340 0.440 18531 13449 1 52 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.960 -3.360 18531 13450 1 52 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.336 -0.936 18531 13451 1 52 . 1 1 30 30 PHE H H 30 8.610 8.610 8.433 0.177 18531 13452 1 52 . 1 1 31 31 LYS N N 31 122.800 122.800 118.407 4.393 18531 13453 1 52 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.208 -0.118 18531 13454 1 52 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.336 0.364 18531 13455 1 52 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.819 -0.219 18531 13456 1 52 . 1 1 31 31 LYS H H 31 9.030 9.030 7.825 1.205 18531 13457 1 52 . 1 1 32 32 GLN N N 32 119.600 119.600 117.776 1.824 18531 13458 1 52 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.206 -0.176 18531 13459 1 52 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.046 0.654 18531 13460 1 52 . 1 1 32 32 GLN CB C 32 28.100 28.100 29.253 -1.153 18531 13461 1 52 . 1 1 32 32 GLN H H 32 7.510 7.510 7.611 -0.101 18531 13462 1 52 . 1 1 33 33 TYR N N 33 120.400 120.400 121.437 -1.037 18531 13463 1 52 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.344 -0.094 18531 13464 1 52 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.639 1.161 18531 13465 1 52 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.222 -0.522 18531 13466 1 52 . 1 1 33 33 TYR H H 33 8.080 8.080 8.062 0.018 18531 13467 1 52 . 1 1 34 34 ALA N N 34 122.300 122.300 120.265 2.035 18531 13468 1 52 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.818 -0.038 18531 13469 1 52 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.790 0.310 18531 13470 1 52 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.389 -0.689 18531 13471 1 52 . 1 1 34 34 ALA H H 34 9.210 9.210 8.238 0.972 18531 13472 1 52 . 1 1 35 35 ASN N N 35 117.700 117.700 115.865 1.835 18531 13473 1 52 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.517 -0.057 18531 13474 1 52 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.638 1.362 18531 13475 1 52 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.337 0.663 18531 13476 1 52 . 1 1 35 35 ASN H H 35 8.390 8.390 8.097 0.293 18531 13477 1 52 . 1 1 36 36 ASP N N 36 121.100 121.100 118.668 2.432 18531 13478 1 52 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.673 -0.313 18531 13479 1 52 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.618 2.082 18531 13480 1 52 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.087 -1.087 18531 13481 1 52 . 1 1 36 36 ASP H H 36 8.830 8.830 7.986 0.844 18531 13482 1 52 . 1 1 37 37 ASN N N 37 115.200 115.200 116.745 -1.545 18531 13483 1 52 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.805 -0.195 18531 13484 1 52 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.438 1.262 18531 13485 1 52 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.127 0.873 18531 13486 1 52 . 1 1 37 37 ASN H H 37 7.390 7.390 7.684 -0.294 18531 13487 1 52 . 1 1 38 38 GLY N N 38 108.200 108.200 109.060 -0.860 18531 13488 1 52 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.106 0.294 18531 13489 1 52 . 1 1 38 38 GLY H H 38 7.800 7.800 7.696 0.104 18531 13490 1 52 . 1 1 39 39 VAL N N 39 120.800 120.800 121.173 -0.373 18531 13491 1 52 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.302 -0.162 18531 13492 1 52 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.472 1.228 18531 13493 1 52 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.836 -0.536 18531 13494 1 52 . 1 1 39 39 VAL H H 39 8.120 8.120 7.858 0.262 18531 13495 1 52 . 1 1 40 40 ASP N N 40 128.000 128.000 124.309 3.691 18531 13496 1 52 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.821 0.069 18531 13497 1 52 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.940 -1.140 18531 13498 1 52 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.700 -0.600 18531 13499 1 52 . 1 1 40 40 ASP H H 40 8.770 8.770 8.409 0.361 18531 13500 1 52 . 1 1 41 41 GLY N N 41 107.100 107.100 111.128 -4.028 18531 13501 1 52 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.694 -0.294 18531 13502 1 52 . 1 1 41 41 GLY H H 41 7.910 7.910 8.308 -0.398 18531 13503 1 52 . 1 1 42 42 VAL N N 42 120.300 120.300 121.917 -1.617 18531 13504 1 52 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.418 -0.038 18531 13505 1 52 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.525 0.575 18531 13506 1 52 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.202 0.198 18531 13507 1 52 . 1 1 42 42 VAL H H 42 8.250 8.250 8.407 -0.157 18531 13508 1 52 . 1 1 43 43 TRP N N 43 130.700 130.700 124.106 6.594 18531 13509 1 52 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.340 0.020 18531 13510 1 52 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.897 1.703 18531 13511 1 52 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.841 -0.641 18531 13512 1 52 . 1 1 43 43 TRP H H 43 9.360 9.360 8.402 0.958 18531 13513 1 52 . 1 1 44 44 THR N N 44 114.500 114.500 119.176 -4.676 18531 13514 1 52 . 1 1 44 44 THR HA H 44 4.830 4.830 4.637 0.193 18531 13515 1 52 . 1 1 44 44 THR CA C 44 60.300 60.300 61.330 -1.030 18531 13516 1 52 . 1 1 44 44 THR CB C 44 72.100 72.100 68.923 3.177 18531 13517 1 52 . 1 1 44 44 THR H H 44 9.400 9.400 8.575 0.825 18531 13518 1 52 . 1 1 45 45 TYR N N 45 120.100 120.100 127.272 -7.172 18531 13519 1 52 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.150 -0.180 18531 13520 1 52 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.837 2.163 18531 13521 1 52 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.841 0.759 18531 13522 1 52 . 1 1 45 45 TYR H H 45 8.580 8.580 8.239 0.341 18531 13523 1 52 . 1 1 46 46 ASP N N 46 128.300 128.300 124.609 3.691 18531 13524 1 52 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.411 0.169 18531 13525 1 52 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.421 0.479 18531 13526 1 52 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.011 -0.911 18531 13527 1 52 . 1 1 46 46 ASP H H 46 7.580 7.580 7.889 -0.309 18531 13528 1 52 . 1 1 47 47 ASP N N 47 124.800 124.800 124.072 0.728 18531 13529 1 52 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.776 -0.666 18531 13530 1 52 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.908 1.592 18531 13531 1 52 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.336 1.764 18531 13532 1 52 . 1 1 47 47 ASP H H 47 8.590 8.590 8.370 0.220 18531 13533 1 52 . 1 1 48 48 ALA N N 48 119.700 119.700 122.558 -2.858 18531 13534 1 52 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.495 -0.405 18531 13535 1 52 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.774 1.226 18531 13536 1 52 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.339 -2.039 18531 13537 1 52 . 1 1 48 48 ALA H H 48 8.340 8.340 8.075 0.265 18531 13538 1 52 . 1 1 49 49 THR N N 49 103.200 103.200 110.975 -7.775 18531 13539 1 52 . 1 1 49 49 THR HA H 49 4.390 4.390 4.482 -0.092 18531 13540 1 52 . 1 1 49 49 THR CA C 49 60.200 60.200 60.956 -0.756 18531 13541 1 52 . 1 1 49 49 THR CB C 49 70.000 70.000 69.388 0.612 18531 13542 1 52 . 1 1 49 49 THR H H 49 7.000 7.000 7.827 -0.827 18531 13543 1 52 . 1 1 50 50 LYS N N 50 123.100 123.100 117.625 5.475 18531 13544 1 52 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.312 -0.122 18531 13545 1 52 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.559 -0.959 18531 13546 1 52 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.433 -0.833 18531 13547 1 52 . 1 1 50 50 LYS H H 50 7.860 7.860 8.106 -0.246 18531 13548 1 52 . 1 1 51 51 THR N N 51 111.200 111.200 115.654 -4.454 18531 13549 1 52 . 1 1 51 51 THR HA H 51 5.490 5.490 4.693 0.797 18531 13550 1 52 . 1 1 51 51 THR CA C 51 62.300 62.300 62.781 -0.481 18531 13551 1 52 . 1 1 51 51 THR CB C 51 72.100 72.100 70.025 2.075 18531 13552 1 52 . 1 1 51 51 THR H H 51 7.390 7.390 7.668 -0.278 18531 13553 1 52 . 1 1 52 52 PHE N N 52 131.000 131.000 129.311 1.689 18531 13554 1 52 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.081 0.549 18531 13555 1 52 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.884 0.416 18531 13556 1 52 . 1 1 52 52 PHE CB C 52 42.600 42.600 39.466 3.134 18531 13557 1 52 . 1 1 52 52 PHE H H 52 10.390 10.390 8.902 1.488 18531 13558 1 52 . 1 1 53 53 THR N N 53 117.400 117.400 120.890 -3.490 18531 13559 1 52 . 1 1 53 53 THR HA H 53 5.270 5.270 5.104 0.166 18531 13560 1 52 . 1 1 53 53 THR CA C 53 61.200 61.200 61.512 -0.312 18531 13561 1 52 . 1 1 53 53 THR CB C 53 71.000 71.000 70.381 0.619 18531 13562 1 52 . 1 1 53 53 THR H H 53 9.180 9.180 9.126 0.054 18531 13563 1 52 . 1 1 54 54 VAL N N 54 123.000 123.000 127.306 -4.306 18531 13564 1 52 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.454 0.006 18531 13565 1 52 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.714 -2.614 18531 13566 1 52 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.449 -1.149 18531 13567 1 52 . 1 1 54 54 VAL H H 54 8.280 8.280 9.134 -0.854 18531 13568 1 52 . 1 1 55 55 THR N N 55 123.900 123.900 123.645 0.255 18531 13569 1 52 . 1 1 55 55 THR HA H 55 4.700 4.700 4.457 0.243 18531 13570 1 52 . 1 1 55 55 THR CA C 55 61.200 61.200 61.769 -0.569 18531 13571 1 52 . 1 1 55 55 THR CB C 55 70.700 70.700 69.770 0.930 18531 13572 1 52 . 1 1 55 55 THR H H 55 8.320 8.320 8.071 0.249 18531 13573 1 53 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.448 0.602 18531 13574 1 53 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.217 0.383 18531 13575 1 53 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.211 -0.511 18531 13576 1 53 . 1 1 2 2 GLN H H 2 8.410 8.410 8.108 0.302 18531 13577 1 53 . 1 1 3 3 TYR N N 3 124.000 124.000 122.911 1.089 18531 13578 1 53 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.920 0.440 18531 13579 1 53 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.055 0.045 18531 13580 1 53 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.359 2.241 18531 13581 1 53 . 1 1 3 3 TYR H H 3 9.070 9.070 9.086 -0.016 18531 13582 1 53 . 1 1 4 4 LYS N N 4 122.500 122.500 121.884 0.616 18531 13583 1 53 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.069 0.151 18531 13584 1 53 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.776 0.224 18531 13585 1 53 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.608 -0.608 18531 13586 1 53 . 1 1 4 4 LYS H H 4 9.100 9.100 8.679 0.421 18531 13587 1 53 . 1 1 5 5 LEU N N 5 126.400 126.400 127.793 -1.393 18531 13588 1 53 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.278 0.692 18531 13589 1 53 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.166 -0.366 18531 13590 1 53 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.517 0.083 18531 13591 1 53 . 1 1 5 5 LEU H H 5 8.620 8.620 8.892 -0.272 18531 13592 1 53 . 1 1 6 6 VAL N N 6 127.000 127.000 128.562 -1.562 18531 13593 1 53 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.069 0.091 18531 13594 1 53 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.077 0.223 18531 13595 1 53 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.532 1.168 18531 13596 1 53 . 1 1 6 6 VAL H H 6 9.190 9.190 7.723 1.467 18531 13597 1 53 . 1 1 7 7 ILE N N 7 125.400 125.400 128.948 -3.548 18531 13598 1 53 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.272 -0.182 18531 13599 1 53 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.704 -0.004 18531 13600 1 53 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.709 0.291 18531 13601 1 53 . 1 1 7 7 ILE H H 7 8.800 8.800 7.796 1.004 18531 13602 1 53 . 1 1 8 8 ASN N N 8 128.900 128.900 126.737 2.163 18531 13603 1 53 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.028 0.252 18531 13604 1 53 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.346 -1.546 18531 13605 1 53 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.074 -0.974 18531 13606 1 53 . 1 1 8 8 ASN H H 8 8.990 8.990 8.856 0.134 18531 13607 1 53 . 1 1 9 9 GLY N N 9 110.200 110.200 108.055 2.145 18531 13608 1 53 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.252 0.448 18531 13609 1 53 . 1 1 9 9 GLY H H 9 7.920 7.920 8.345 -0.425 18531 13610 1 53 . 1 1 10 10 LYS N N 10 120.700 120.700 121.799 -1.099 18531 13611 1 53 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.006 0.054 18531 13612 1 53 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.646 0.554 18531 13613 1 53 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.482 0.418 18531 13614 1 53 . 1 1 10 10 LYS H H 10 9.520 9.520 8.706 0.814 18531 13615 1 53 . 1 1 11 11 THR N N 11 108.900 108.900 107.870 1.030 18531 13616 1 53 . 1 1 11 11 THR HA H 11 4.360 4.360 4.332 0.028 18531 13617 1 53 . 1 1 11 11 THR CA C 11 62.000 62.000 62.266 -0.266 18531 13618 1 53 . 1 1 11 11 THR CB C 11 69.800 69.800 69.330 0.470 18531 13619 1 53 . 1 1 11 11 THR H H 11 8.790 8.790 7.459 1.331 18531 13620 1 53 . 1 1 12 12 LEU N N 12 125.700 125.700 124.247 1.453 18531 13621 1 53 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.512 -0.072 18531 13622 1 53 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.156 0.844 18531 13623 1 53 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.237 0.063 18531 13624 1 53 . 1 1 12 12 LEU H H 12 7.580 7.580 7.816 -0.236 18531 13625 1 53 . 1 1 13 13 LYS N N 13 123.500 123.500 125.140 -1.640 18531 13626 1 53 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.830 0.290 18531 13627 1 53 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.363 -1.463 18531 13628 1 53 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.935 -0.135 18531 13629 1 53 . 1 1 13 13 LYS H H 13 8.140 8.140 8.526 -0.386 18531 13630 1 53 . 1 1 14 14 GLY N N 14 109.100 109.100 111.870 -2.770 18531 13631 1 53 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.537 -0.337 18531 13632 1 53 . 1 1 14 14 GLY H H 14 8.340 8.340 8.573 -0.233 18531 13633 1 53 . 1 1 15 15 GLU N N 15 118.200 118.200 118.736 -0.536 18531 13634 1 53 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.345 0.255 18531 13635 1 53 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.585 -1.085 18531 13636 1 53 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.141 0.659 18531 13637 1 53 . 1 1 15 15 GLU H H 15 8.390 8.390 8.502 -0.112 18531 13638 1 53 . 1 1 16 16 THR N N 16 115.600 115.600 113.177 2.423 18531 13639 1 53 . 1 1 16 16 THR HA H 16 4.730 4.730 4.564 0.166 18531 13640 1 53 . 1 1 16 16 THR CA C 16 60.600 60.600 61.695 -1.095 18531 13641 1 53 . 1 1 16 16 THR CB C 16 69.500 69.500 70.154 -0.654 18531 13642 1 53 . 1 1 16 16 THR H H 16 8.820 8.820 8.104 0.716 18531 13643 1 53 . 1 1 17 17 THR N N 17 111.800 111.800 113.705 -1.905 18531 13644 1 53 . 1 1 17 17 THR HA H 17 5.790 5.790 5.346 0.444 18531 13645 1 53 . 1 1 17 17 THR CA C 17 59.800 59.800 61.112 -1.312 18531 13646 1 53 . 1 1 17 17 THR CB C 17 73.100 73.100 72.058 1.042 18531 13647 1 53 . 1 1 17 17 THR H H 17 8.140 8.140 8.356 -0.216 18531 13648 1 53 . 1 1 18 18 THR N N 18 115.100 115.100 115.273 -0.173 18531 13649 1 53 . 1 1 18 18 THR HA H 18 4.640 4.640 4.630 0.010 18531 13650 1 53 . 1 1 18 18 THR CA C 18 61.900 61.900 61.243 0.657 18531 13651 1 53 . 1 1 18 18 THR CB C 18 70.000 70.000 71.213 -1.213 18531 13652 1 53 . 1 1 18 18 THR H H 18 8.930 8.930 8.977 -0.047 18531 13653 1 53 . 1 1 19 19 LYS N N 19 124.300 124.300 126.481 -2.181 18531 13654 1 53 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.836 0.494 18531 13655 1 53 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.658 -0.658 18531 13656 1 53 . 1 1 19 19 LYS CB C 19 33.800 33.800 33.588 0.212 18531 13657 1 53 . 1 1 19 19 LYS H H 19 7.950 7.950 8.422 -0.472 18531 13658 1 53 . 1 1 20 20 ALA N N 20 124.600 124.600 126.943 -2.343 18531 13659 1 53 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.744 0.036 18531 13660 1 53 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.460 -0.560 18531 13661 1 53 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.845 1.955 18531 13662 1 53 . 1 1 20 20 ALA H H 20 9.110 9.110 8.346 0.764 18531 13663 1 53 . 1 1 21 21 VAL N N 21 115.300 115.300 117.609 -2.309 18531 13664 1 53 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.802 0.308 18531 13665 1 53 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.516 -1.216 18531 13666 1 53 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.887 0.313 18531 13667 1 53 . 1 1 21 21 VAL H H 21 8.480 8.480 8.631 -0.151 18531 13668 1 53 . 1 1 22 22 ASP N N 22 115.200 115.200 114.439 0.761 18531 13669 1 53 . 1 1 22 22 ASP HA H 22 4.710 4.710 5.014 -0.304 18531 13670 1 53 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.540 -0.140 18531 13671 1 53 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.278 -0.078 18531 13672 1 53 . 1 1 22 22 ASP H H 22 7.310 7.310 7.674 -0.364 18531 13673 1 53 . 1 1 23 23 ALA N N 23 121.000 121.000 120.849 0.151 18531 13674 1 53 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.627 -0.287 18531 13675 1 53 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.435 0.465 18531 13676 1 53 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.433 -0.933 18531 13677 1 53 . 1 1 23 23 ALA H H 23 8.370 8.370 8.738 -0.368 18531 13678 1 53 . 1 1 24 24 GLU N N 24 118.900 118.900 118.566 0.334 18531 13679 1 53 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.805 0.055 18531 13680 1 53 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.460 0.240 18531 13681 1 53 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.770 0.330 18531 13682 1 53 . 1 1 24 24 GLU H H 24 8.410 8.410 8.391 0.019 18531 13683 1 53 . 1 1 25 25 THR N N 25 117.400 117.400 112.465 4.935 18531 13684 1 53 . 1 1 25 25 THR HA H 25 3.670 3.670 4.173 -0.503 18531 13685 1 53 . 1 1 25 25 THR CA C 25 66.800 66.800 64.249 2.552 18531 13686 1 53 . 1 1 25 25 THR CB C 25 68.000 68.000 68.865 -0.865 18531 13687 1 53 . 1 1 25 25 THR H H 25 8.380 8.380 8.282 0.098 18531 13688 1 53 . 1 1 26 26 ALA N N 26 125.100 125.100 125.038 0.062 18531 13689 1 53 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.647 -0.457 18531 13690 1 53 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.811 0.189 18531 13691 1 53 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.378 -0.078 18531 13692 1 53 . 1 1 26 26 ALA H H 26 7.220 7.220 7.170 0.050 18531 13693 1 53 . 1 1 27 27 GLU N N 27 117.400 117.400 118.205 -0.805 18531 13694 1 53 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.928 -1.338 18531 13695 1 53 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.753 -0.053 18531 13696 1 53 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.453 -0.253 18531 13697 1 53 . 1 1 27 27 GLU H H 27 8.370 8.370 8.352 0.018 18531 13698 1 53 . 1 1 28 28 LYS N N 28 116.300 116.300 118.153 -1.853 18531 13699 1 53 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.945 -0.275 18531 13700 1 53 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.050 0.549 18531 13701 1 53 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.056 0.144 18531 13702 1 53 . 1 1 28 28 LYS H H 28 7.170 7.170 7.687 -0.517 18531 13703 1 53 . 1 1 29 29 ALA N N 29 122.000 122.000 122.070 -0.070 18531 13704 1 53 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.162 -0.072 18531 13705 1 53 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.662 0.038 18531 13706 1 53 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.088 -0.588 18531 13707 1 53 . 1 1 29 29 ALA H H 29 7.200 7.200 7.485 -0.285 18531 13708 1 53 . 1 1 30 30 PHE N N 30 119.600 119.600 118.077 1.523 18531 13709 1 53 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.286 0.494 18531 13710 1 53 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.989 -3.389 18531 13711 1 53 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.260 -0.860 18531 13712 1 53 . 1 1 30 30 PHE H H 30 8.610 8.610 7.896 0.714 18531 13713 1 53 . 1 1 31 31 LYS N N 31 122.800 122.800 118.292 4.508 18531 13714 1 53 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.088 0.002 18531 13715 1 53 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.933 -0.233 18531 13716 1 53 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.426 0.174 18531 13717 1 53 . 1 1 31 31 LYS H H 31 9.030 9.030 8.743 0.287 18531 13718 1 53 . 1 1 32 32 GLN N N 32 119.600 119.600 118.701 0.899 18531 13719 1 53 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.126 -0.096 18531 13720 1 53 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.001 -0.301 18531 13721 1 53 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.762 -0.662 18531 13722 1 53 . 1 1 32 32 GLN H H 32 7.510 7.510 7.726 -0.216 18531 13723 1 53 . 1 1 33 33 TYR N N 33 120.400 120.400 121.440 -1.040 18531 13724 1 53 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.054 0.196 18531 13725 1 53 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.744 0.056 18531 13726 1 53 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.314 0.386 18531 13727 1 53 . 1 1 33 33 TYR H H 33 8.080 8.080 7.754 0.326 18531 13728 1 53 . 1 1 34 34 ALA N N 34 122.300 122.300 120.404 1.896 18531 13729 1 53 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.811 -0.031 18531 13730 1 53 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.472 0.627 18531 13731 1 53 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.276 -0.576 18531 13732 1 53 . 1 1 34 34 ALA H H 34 9.210 9.210 8.505 0.705 18531 13733 1 53 . 1 1 35 35 ASN N N 35 117.700 117.700 117.009 0.691 18531 13734 1 53 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.474 -0.014 18531 13735 1 53 . 1 1 35 35 ASN CA C 35 57.000 57.000 56.124 0.876 18531 13736 1 53 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.010 0.991 18531 13737 1 53 . 1 1 35 35 ASN H H 35 8.390 8.390 8.140 0.250 18531 13738 1 53 . 1 1 36 36 ASP N N 36 121.100 121.100 119.645 1.455 18531 13739 1 53 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.451 -0.091 18531 13740 1 53 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.411 0.289 18531 13741 1 53 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.652 -0.652 18531 13742 1 53 . 1 1 36 36 ASP H H 36 8.830 8.830 8.578 0.252 18531 13743 1 53 . 1 1 37 37 ASN N N 37 115.200 115.200 114.824 0.376 18531 13744 1 53 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.602 0.008 18531 13745 1 53 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.562 0.139 18531 13746 1 53 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.691 0.309 18531 13747 1 53 . 1 1 37 37 ASN H H 37 7.390 7.390 7.900 -0.510 18531 13748 1 53 . 1 1 38 38 GLY N N 38 108.200 108.200 107.217 0.983 18531 13749 1 53 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.307 1.093 18531 13750 1 53 . 1 1 38 38 GLY H H 38 7.800 7.800 8.081 -0.281 18531 13751 1 53 . 1 1 39 39 VAL N N 39 120.800 120.800 122.373 -1.573 18531 13752 1 53 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.516 -0.376 18531 13753 1 53 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.012 -0.312 18531 13754 1 53 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.398 0.902 18531 13755 1 53 . 1 1 39 39 VAL H H 39 8.120 8.120 7.929 0.191 18531 13756 1 53 . 1 1 40 40 ASP N N 40 128.000 128.000 126.391 1.609 18531 13757 1 53 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.916 -0.026 18531 13758 1 53 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.697 -0.897 18531 13759 1 53 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.908 -0.808 18531 13760 1 53 . 1 1 40 40 ASP H H 40 8.770 8.770 8.022 0.748 18531 13761 1 53 . 1 1 41 41 GLY N N 41 107.100 107.100 111.100 -4.000 18531 13762 1 53 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.531 -0.131 18531 13763 1 53 . 1 1 41 41 GLY H H 41 7.910 7.910 8.292 -0.382 18531 13764 1 53 . 1 1 42 42 VAL N N 42 120.300 120.300 119.196 1.104 18531 13765 1 53 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.703 -0.323 18531 13766 1 53 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.048 0.052 18531 13767 1 53 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.806 0.594 18531 13768 1 53 . 1 1 42 42 VAL H H 42 8.250 8.250 8.122 0.128 18531 13769 1 53 . 1 1 43 43 TRP N N 43 130.700 130.700 125.912 4.788 18531 13770 1 53 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.839 -0.479 18531 13771 1 53 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.846 1.754 18531 13772 1 53 . 1 1 43 43 TRP CB C 43 30.200 30.200 32.306 -2.107 18531 13773 1 53 . 1 1 43 43 TRP H H 43 9.360 9.360 8.561 0.799 18531 13774 1 53 . 1 1 44 44 THR N N 44 114.500 114.500 113.863 0.637 18531 13775 1 53 . 1 1 44 44 THR HA H 44 4.830 4.830 4.723 0.107 18531 13776 1 53 . 1 1 44 44 THR CA C 44 60.300 60.300 61.503 -1.203 18531 13777 1 53 . 1 1 44 44 THR CB C 44 72.100 72.100 71.529 0.571 18531 13778 1 53 . 1 1 44 44 THR H H 44 9.400 9.400 8.682 0.718 18531 13779 1 53 . 1 1 45 45 TYR N N 45 120.100 120.100 125.465 -5.365 18531 13780 1 53 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.263 0.707 18531 13781 1 53 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.466 0.534 18531 13782 1 53 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.647 0.953 18531 13783 1 53 . 1 1 45 45 TYR H H 45 8.580 8.580 8.637 -0.057 18531 13784 1 53 . 1 1 46 46 ASP N N 46 128.300 128.300 127.838 0.462 18531 13785 1 53 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.454 0.126 18531 13786 1 53 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.094 -0.194 18531 13787 1 53 . 1 1 46 46 ASP CB C 46 43.100 43.100 42.808 0.292 18531 13788 1 53 . 1 1 46 46 ASP H H 46 7.580 7.580 7.790 -0.210 18531 13789 1 53 . 1 1 47 47 ASP N N 47 124.800 124.800 123.631 1.169 18531 13790 1 53 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.475 -0.365 18531 13791 1 53 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.301 1.199 18531 13792 1 53 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.415 1.685 18531 13793 1 53 . 1 1 47 47 ASP H H 47 8.590 8.590 8.315 0.275 18531 13794 1 53 . 1 1 48 48 ALA N N 48 119.700 119.700 122.881 -3.181 18531 13795 1 53 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.241 -0.151 18531 13796 1 53 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.667 0.333 18531 13797 1 53 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.145 -0.845 18531 13798 1 53 . 1 1 48 48 ALA H H 48 8.340 8.340 7.982 0.358 18531 13799 1 53 . 1 1 49 49 THR N N 49 103.200 103.200 112.248 -9.048 18531 13800 1 53 . 1 1 49 49 THR HA H 49 4.390 4.390 4.434 -0.044 18531 13801 1 53 . 1 1 49 49 THR CA C 49 60.200 60.200 60.626 -0.426 18531 13802 1 53 . 1 1 49 49 THR CB C 49 70.000 70.000 69.571 0.429 18531 13803 1 53 . 1 1 49 49 THR H H 49 7.000 7.000 7.764 -0.764 18531 13804 1 53 . 1 1 50 50 LYS N N 50 123.100 123.100 118.096 5.004 18531 13805 1 53 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.214 -0.024 18531 13806 1 53 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.643 -1.043 18531 13807 1 53 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.273 -0.673 18531 13808 1 53 . 1 1 50 50 LYS H H 50 7.860 7.860 7.960 -0.100 18531 13809 1 53 . 1 1 51 51 THR N N 51 111.200 111.200 114.039 -2.839 18531 13810 1 53 . 1 1 51 51 THR HA H 51 5.490 5.490 4.626 0.864 18531 13811 1 53 . 1 1 51 51 THR CA C 51 62.300 62.300 62.814 -0.514 18531 13812 1 53 . 1 1 51 51 THR CB C 51 72.100 72.100 69.967 2.133 18531 13813 1 53 . 1 1 51 51 THR H H 51 7.390 7.390 7.273 0.117 18531 13814 1 53 . 1 1 52 52 PHE N N 52 131.000 131.000 125.886 5.114 18531 13815 1 53 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.486 0.144 18531 13816 1 53 . 1 1 52 52 PHE CA C 52 57.300 57.300 55.886 1.414 18531 13817 1 53 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.872 -0.272 18531 13818 1 53 . 1 1 52 52 PHE H H 52 10.390 10.390 8.287 2.103 18531 13819 1 53 . 1 1 53 53 THR N N 53 117.400 117.400 116.703 0.697 18531 13820 1 53 . 1 1 53 53 THR HA H 53 5.270 5.270 4.983 0.287 18531 13821 1 53 . 1 1 53 53 THR CA C 53 61.200 61.200 61.594 -0.394 18531 13822 1 53 . 1 1 53 53 THR CB C 53 71.000 71.000 71.421 -0.422 18531 13823 1 53 . 1 1 53 53 THR H H 53 9.180 9.180 8.466 0.714 18531 13824 1 53 . 1 1 54 54 VAL N N 54 123.000 123.000 126.824 -3.824 18531 13825 1 53 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.482 -0.022 18531 13826 1 53 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.372 -2.272 18531 13827 1 53 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.126 -1.826 18531 13828 1 53 . 1 1 54 54 VAL H H 54 8.280 8.280 8.591 -0.311 18531 13829 1 53 . 1 1 55 55 THR N N 55 123.900 123.900 121.434 2.466 18531 13830 1 53 . 1 1 55 55 THR HA H 55 4.700 4.700 4.733 -0.033 18531 13831 1 53 . 1 1 55 55 THR CA C 55 61.200 61.200 59.444 1.756 18531 13832 1 53 . 1 1 55 55 THR CB C 55 70.700 70.700 71.011 -0.311 18531 13833 1 53 . 1 1 55 55 THR H H 55 8.320 8.320 7.945 0.375 18531 13834 1 54 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.254 0.796 18531 13835 1 54 . 1 1 2 2 GLN CA C 2 55.600 55.600 56.348 -0.748 18531 13836 1 54 . 1 1 2 2 GLN CB C 2 30.700 30.700 28.604 2.096 18531 13837 1 54 . 1 1 2 2 GLN H H 2 8.410 8.410 8.596 -0.186 18531 13838 1 54 . 1 1 3 3 TYR N N 3 124.000 124.000 123.088 0.912 18531 13839 1 54 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.827 0.533 18531 13840 1 54 . 1 1 3 3 TYR CA C 3 57.100 57.100 57.057 0.043 18531 13841 1 54 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.460 1.140 18531 13842 1 54 . 1 1 3 3 TYR H H 3 9.070 9.070 9.067 0.003 18531 13843 1 54 . 1 1 4 4 LYS N N 4 122.500 122.500 122.607 -0.107 18531 13844 1 54 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531 13845 1 54 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.801 0.199 18531 13846 1 54 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.672 0.328 18531 13847 1 54 . 1 1 4 4 LYS H H 4 9.100 9.100 8.623 0.477 18531 13848 1 54 . 1 1 5 5 LEU N N 5 126.400 126.400 127.977 -1.577 18531 13849 1 54 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.995 -0.025 18531 13850 1 54 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.349 -0.549 18531 13851 1 54 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.684 -1.084 18531 13852 1 54 . 1 1 5 5 LEU H H 5 8.620 8.620 8.023 0.597 18531 13853 1 54 . 1 1 6 6 VAL N N 6 127.000 127.000 128.818 -1.818 18531 13854 1 54 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.191 -0.031 18531 13855 1 54 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.209 0.091 18531 13856 1 54 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.686 0.014 18531 13857 1 54 . 1 1 6 6 VAL H H 6 9.190 9.190 9.207 -0.017 18531 13858 1 54 . 1 1 7 7 ILE N N 7 125.400 125.400 128.241 -2.841 18531 13859 1 54 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.355 -0.265 18531 13860 1 54 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.671 0.029 18531 13861 1 54 . 1 1 7 7 ILE CB C 7 39.000 39.000 37.699 1.301 18531 13862 1 54 . 1 1 7 7 ILE H H 7 8.800 8.800 7.854 0.946 18531 13863 1 54 . 1 1 8 8 ASN N N 8 128.900 128.900 126.700 2.200 18531 13864 1 54 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.877 0.403 18531 13865 1 54 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.181 -1.381 18531 13866 1 54 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.744 -0.644 18531 13867 1 54 . 1 1 8 8 ASN H H 8 8.990 8.990 7.985 1.005 18531 13868 1 54 . 1 1 9 9 GLY N N 9 110.200 110.200 108.025 2.175 18531 13869 1 54 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.867 -0.167 18531 13870 1 54 . 1 1 9 9 GLY H H 9 7.920 7.920 7.573 0.347 18531 13871 1 54 . 1 1 10 10 LYS N N 10 120.700 120.700 119.285 1.415 18531 13872 1 54 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.204 -0.144 18531 13873 1 54 . 1 1 10 10 LYS CA C 10 59.200 59.200 59.228 -0.028 18531 13874 1 54 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.905 -0.005 18531 13875 1 54 . 1 1 10 10 LYS H H 10 9.520 9.520 8.395 1.125 18531 13876 1 54 . 1 1 11 11 THR N N 11 108.900 108.900 110.002 -1.102 18531 13877 1 54 . 1 1 11 11 THR HA H 11 4.360 4.360 4.319 0.041 18531 13878 1 54 . 1 1 11 11 THR CA C 11 62.000 62.000 61.904 0.096 18531 13879 1 54 . 1 1 11 11 THR CB C 11 69.800 69.800 69.463 0.338 18531 13880 1 54 . 1 1 11 11 THR H H 11 8.790 8.790 8.061 0.729 18531 13881 1 54 . 1 1 12 12 LEU N N 12 125.700 125.700 124.986 0.714 18531 13882 1 54 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.291 0.149 18531 13883 1 54 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.094 -0.094 18531 13884 1 54 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.081 1.218 18531 13885 1 54 . 1 1 12 12 LEU H H 12 7.580 7.580 7.957 -0.377 18531 13886 1 54 . 1 1 13 13 LYS N N 13 123.500 123.500 124.030 -0.530 18531 13887 1 54 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.076 0.044 18531 13888 1 54 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.965 -1.065 18531 13889 1 54 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.608 -0.808 18531 13890 1 54 . 1 1 13 13 LYS H H 13 8.140 8.140 8.205 -0.065 18531 13891 1 54 . 1 1 14 14 GLY N N 14 109.100 109.100 109.888 -0.788 18531 13892 1 54 . 1 1 14 14 GLY CA C 14 45.200 45.200 46.070 -0.870 18531 13893 1 54 . 1 1 14 14 GLY H H 14 8.340 8.340 8.266 0.074 18531 13894 1 54 . 1 1 15 15 GLU N N 15 118.200 118.200 119.967 -1.767 18531 13895 1 54 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.046 0.554 18531 13896 1 54 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.777 -1.277 18531 13897 1 54 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.773 1.027 18531 13898 1 54 . 1 1 15 15 GLU H H 15 8.390 8.390 8.463 -0.073 18531 13899 1 54 . 1 1 16 16 THR N N 16 115.600 115.600 121.212 -5.612 18531 13900 1 54 . 1 1 16 16 THR HA H 16 4.730 4.730 4.601 0.129 18531 13901 1 54 . 1 1 16 16 THR CA C 16 60.600 60.600 60.911 -0.311 18531 13902 1 54 . 1 1 16 16 THR CB C 16 69.500 69.500 68.356 1.145 18531 13903 1 54 . 1 1 16 16 THR H H 16 8.820 8.820 8.470 0.350 18531 13904 1 54 . 1 1 17 17 THR N N 17 111.800 111.800 119.958 -8.158 18531 13905 1 54 . 1 1 17 17 THR HA H 17 5.790 5.790 5.115 0.675 18531 13906 1 54 . 1 1 17 17 THR CA C 17 59.800 59.800 60.573 -0.773 18531 13907 1 54 . 1 1 17 17 THR CB C 17 73.100 73.100 70.562 2.538 18531 13908 1 54 . 1 1 17 17 THR H H 17 8.140 8.140 8.563 -0.423 18531 13909 1 54 . 1 1 18 18 THR N N 18 115.100 115.100 116.983 -1.883 18531 13910 1 54 . 1 1 18 18 THR HA H 18 4.640 4.640 4.681 -0.041 18531 13911 1 54 . 1 1 18 18 THR CA C 18 61.900 61.900 61.051 0.849 18531 13912 1 54 . 1 1 18 18 THR CB C 18 70.000 70.000 69.987 0.013 18531 13913 1 54 . 1 1 18 18 THR H H 18 8.930 8.930 9.133 -0.203 18531 13914 1 54 . 1 1 19 19 LYS N N 19 124.300 124.300 119.057 5.243 18531 13915 1 54 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.985 0.345 18531 13916 1 54 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.377 -0.377 18531 13917 1 54 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.529 -0.729 18531 13918 1 54 . 1 1 19 19 LYS H H 19 7.950 7.950 8.378 -0.428 18531 13919 1 54 . 1 1 20 20 ALA N N 20 124.600 124.600 124.002 0.598 18531 13920 1 54 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.546 0.234 18531 13921 1 54 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.551 -0.651 18531 13922 1 54 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.700 2.100 18531 13923 1 54 . 1 1 20 20 ALA H H 20 9.110 9.110 8.148 0.962 18531 13924 1 54 . 1 1 21 21 VAL N N 21 115.300 115.300 117.336 -2.036 18531 13925 1 54 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.938 0.172 18531 13926 1 54 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.570 -1.270 18531 13927 1 54 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.869 0.331 18531 13928 1 54 . 1 1 21 21 VAL H H 21 8.480 8.480 8.530 -0.050 18531 13929 1 54 . 1 1 22 22 ASP N N 22 115.200 115.200 113.852 1.348 18531 13930 1 54 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.812 -0.102 18531 13931 1 54 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.755 -0.355 18531 13932 1 54 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.150 0.050 18531 13933 1 54 . 1 1 22 22 ASP H H 22 7.310 7.310 7.478 -0.168 18531 13934 1 54 . 1 1 23 23 ALA N N 23 121.000 121.000 122.032 -1.032 18531 13935 1 54 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.624 -0.284 18531 13936 1 54 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.922 -0.022 18531 13937 1 54 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.669 -1.169 18531 13938 1 54 . 1 1 23 23 ALA H H 23 8.370 8.370 8.756 -0.386 18531 13939 1 54 . 1 1 24 24 GLU N N 24 118.900 118.900 119.172 -0.272 18531 13940 1 54 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.919 -0.059 18531 13941 1 54 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.681 0.019 18531 13942 1 54 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.020 0.080 18531 13943 1 54 . 1 1 24 24 GLU H H 24 8.410 8.410 8.526 -0.116 18531 13944 1 54 . 1 1 25 25 THR N N 25 117.400 117.400 113.585 3.815 18531 13945 1 54 . 1 1 25 25 THR HA H 25 3.670 3.670 4.164 -0.494 18531 13946 1 54 . 1 1 25 25 THR CA C 25 66.800 66.800 64.161 2.639 18531 13947 1 54 . 1 1 25 25 THR CB C 25 68.000 68.000 68.847 -0.847 18531 13948 1 54 . 1 1 25 25 THR H H 25 8.380 8.380 7.853 0.527 18531 13949 1 54 . 1 1 26 26 ALA N N 26 125.100 125.100 124.494 0.606 18531 13950 1 54 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.592 -0.402 18531 13951 1 54 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.980 0.020 18531 13952 1 54 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.745 -0.445 18531 13953 1 54 . 1 1 26 26 ALA H H 26 7.220 7.220 8.037 -0.817 18531 13954 1 54 . 1 1 27 27 GLU N N 27 117.400 117.400 118.576 -1.176 18531 13955 1 54 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.924 -1.334 18531 13956 1 54 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.790 -0.090 18531 13957 1 54 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.420 -0.220 18531 13958 1 54 . 1 1 27 27 GLU H H 27 8.370 8.370 8.254 0.116 18531 13959 1 54 . 1 1 28 28 LYS N N 28 116.300 116.300 118.974 -2.674 18531 13960 1 54 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.874 -0.204 18531 13961 1 54 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.087 0.513 18531 13962 1 54 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.222 -0.022 18531 13963 1 54 . 1 1 28 28 LYS H H 28 7.170 7.170 7.727 -0.557 18531 13964 1 54 . 1 1 29 29 ALA N N 29 122.000 122.000 120.413 1.587 18531 13965 1 54 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.047 0.043 18531 13966 1 54 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.238 0.462 18531 13967 1 54 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.918 -0.417 18531 13968 1 54 . 1 1 29 29 ALA H H 29 7.200 7.200 7.046 0.154 18531 13969 1 54 . 1 1 30 30 PHE N N 30 119.600 119.600 118.143 1.457 18531 13970 1 54 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.390 0.390 18531 13971 1 54 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.149 -3.549 18531 13972 1 54 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.797 -1.397 18531 13973 1 54 . 1 1 30 30 PHE H H 30 8.610 8.610 7.607 1.003 18531 13974 1 54 . 1 1 31 31 LYS N N 31 122.800 122.800 120.107 2.693 18531 13975 1 54 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.931 0.159 18531 13976 1 54 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.228 0.472 18531 13977 1 54 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.791 -0.191 18531 13978 1 54 . 1 1 31 31 LYS H H 31 9.030 9.030 8.439 0.591 18531 13979 1 54 . 1 1 32 32 GLN N N 32 119.600 119.600 116.703 2.897 18531 13980 1 54 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.263 -0.233 18531 13981 1 54 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.525 1.175 18531 13982 1 54 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.790 -0.690 18531 13983 1 54 . 1 1 32 32 GLN H H 32 7.510 7.510 7.640 -0.130 18531 13984 1 54 . 1 1 33 33 TYR N N 33 120.400 120.400 120.763 -0.363 18531 13985 1 54 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.417 -0.167 18531 13986 1 54 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.554 1.246 18531 13987 1 54 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.427 -0.727 18531 13988 1 54 . 1 1 33 33 TYR H H 33 8.080 8.080 8.249 -0.169 18531 13989 1 54 . 1 1 34 34 ALA N N 34 122.300 122.300 121.506 0.794 18531 13990 1 54 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.832 -0.052 18531 13991 1 54 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.692 0.408 18531 13992 1 54 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.144 -0.444 18531 13993 1 54 . 1 1 34 34 ALA H H 34 9.210 9.210 8.301 0.909 18531 13994 1 54 . 1 1 35 35 ASN N N 35 117.700 117.700 115.194 2.506 18531 13995 1 54 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531 13996 1 54 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.803 1.197 18531 13997 1 54 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.268 0.732 18531 13998 1 54 . 1 1 35 35 ASN H H 35 8.390 8.390 8.241 0.149 18531 13999 1 54 . 1 1 36 36 ASP N N 36 121.100 121.100 118.328 2.772 18531 14000 1 54 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.595 -0.235 18531 14001 1 54 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.651 1.049 18531 14002 1 54 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.421 -1.421 18531 14003 1 54 . 1 1 36 36 ASP H H 36 8.830 8.830 7.970 0.860 18531 14004 1 54 . 1 1 37 37 ASN N N 37 115.200 115.200 115.644 -0.444 18531 14005 1 54 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.617 -0.007 18531 14006 1 54 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.774 -0.074 18531 14007 1 54 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.743 0.257 18531 14008 1 54 . 1 1 37 37 ASN H H 37 7.390 7.390 8.053 -0.663 18531 14009 1 54 . 1 1 38 38 GLY N N 38 108.200 108.200 108.180 0.020 18531 14010 1 54 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.254 1.146 18531 14011 1 54 . 1 1 38 38 GLY H H 38 7.800 7.800 8.055 -0.255 18531 14012 1 54 . 1 1 39 39 VAL N N 39 120.800 120.800 121.762 -0.962 18531 14013 1 54 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.073 0.067 18531 14014 1 54 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.053 -0.353 18531 14015 1 54 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.505 0.795 18531 14016 1 54 . 1 1 39 39 VAL H H 39 8.120 8.120 8.139 -0.019 18531 14017 1 54 . 1 1 40 40 ASP N N 40 128.000 128.000 126.793 1.207 18531 14018 1 54 . 1 1 40 40 ASP HA H 40 4.890 4.890 5.003 -0.113 18531 14019 1 54 . 1 1 40 40 ASP CA C 40 52.800 52.800 52.952 -0.152 18531 14020 1 54 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.316 -1.216 18531 14021 1 54 . 1 1 40 40 ASP H H 40 8.770 8.770 8.123 0.647 18531 14022 1 54 . 1 1 41 41 GLY N N 41 107.100 107.100 109.753 -2.653 18531 14023 1 54 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.623 -0.223 18531 14024 1 54 . 1 1 41 41 GLY H H 41 7.910 7.910 8.383 -0.473 18531 14025 1 54 . 1 1 42 42 VAL N N 42 120.300 120.300 123.163 -2.863 18531 14026 1 54 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.316 0.064 18531 14027 1 54 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.039 0.061 18531 14028 1 54 . 1 1 42 42 VAL CB C 42 33.400 33.400 32.889 0.511 18531 14029 1 54 . 1 1 42 42 VAL H H 42 8.250 8.250 7.903 0.347 18531 14030 1 54 . 1 1 43 43 TRP N N 43 130.700 130.700 126.539 4.161 18531 14031 1 54 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.038 0.322 18531 14032 1 54 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.139 1.460 18531 14033 1 54 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.847 -0.647 18531 14034 1 54 . 1 1 43 43 TRP H H 43 9.360 9.360 8.509 0.851 18531 14035 1 54 . 1 1 44 44 THR N N 44 114.500 114.500 116.197 -1.697 18531 14036 1 54 . 1 1 44 44 THR HA H 44 4.830 4.830 4.899 -0.069 18531 14037 1 54 . 1 1 44 44 THR CA C 44 60.300 60.300 60.744 -0.444 18531 14038 1 54 . 1 1 44 44 THR CB C 44 72.100 72.100 70.703 1.397 18531 14039 1 54 . 1 1 44 44 THR H H 44 9.400 9.400 8.359 1.041 18531 14040 1 54 . 1 1 45 45 TYR N N 45 120.100 120.100 118.624 1.476 18531 14041 1 54 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.040 -0.070 18531 14042 1 54 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.590 0.410 18531 14043 1 54 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.170 0.430 18531 14044 1 54 . 1 1 45 45 TYR H H 45 8.580 8.580 8.065 0.515 18531 14045 1 54 . 1 1 46 46 ASP N N 46 128.300 128.300 122.029 6.271 18531 14046 1 54 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.490 0.090 18531 14047 1 54 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.681 0.219 18531 14048 1 54 . 1 1 46 46 ASP CB C 46 43.100 43.100 44.219 -1.119 18531 14049 1 54 . 1 1 46 46 ASP H H 46 7.580 7.580 7.944 -0.364 18531 14050 1 54 . 1 1 47 47 ASP N N 47 124.800 124.800 123.692 1.108 18531 14051 1 54 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.787 -0.677 18531 14052 1 54 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.877 1.623 18531 14053 1 54 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.642 1.458 18531 14054 1 54 . 1 1 47 47 ASP H H 47 8.590 8.590 8.398 0.192 18531 14055 1 54 . 1 1 48 48 ALA N N 48 119.700 119.700 121.578 -1.878 18531 14056 1 54 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.487 -0.397 18531 14057 1 54 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.455 1.545 18531 14058 1 54 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.129 -1.829 18531 14059 1 54 . 1 1 48 48 ALA H H 48 8.340 8.340 8.134 0.206 18531 14060 1 54 . 1 1 49 49 THR N N 49 103.200 103.200 111.447 -8.247 18531 14061 1 54 . 1 1 49 49 THR HA H 49 4.390 4.390 4.325 0.065 18531 14062 1 54 . 1 1 49 49 THR CA C 49 60.200 60.200 61.306 -1.106 18531 14063 1 54 . 1 1 49 49 THR CB C 49 70.000 70.000 69.083 0.917 18531 14064 1 54 . 1 1 49 49 THR H H 49 7.000 7.000 7.866 -0.866 18531 14065 1 54 . 1 1 50 50 LYS N N 50 123.100 123.100 117.339 5.761 18531 14066 1 54 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.344 -0.154 18531 14067 1 54 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.236 -0.636 18531 14068 1 54 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.153 -0.553 18531 14069 1 54 . 1 1 50 50 LYS H H 50 7.860 7.860 7.887 -0.027 18531 14070 1 54 . 1 1 51 51 THR N N 51 111.200 111.200 115.830 -4.630 18531 14071 1 54 . 1 1 51 51 THR HA H 51 5.490 5.490 4.684 0.806 18531 14072 1 54 . 1 1 51 51 THR CA C 51 62.300 62.300 62.405 -0.105 18531 14073 1 54 . 1 1 51 51 THR CB C 51 72.100 72.100 69.771 2.329 18531 14074 1 54 . 1 1 51 51 THR H H 51 7.390 7.390 7.616 -0.226 18531 14075 1 54 . 1 1 52 52 PHE N N 52 131.000 131.000 128.461 2.539 18531 14076 1 54 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.097 0.533 18531 14077 1 54 . 1 1 52 52 PHE CA C 52 57.300 57.300 57.065 0.235 18531 14078 1 54 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.912 0.688 18531 14079 1 54 . 1 1 52 52 PHE H H 52 10.390 10.390 8.789 1.601 18531 14080 1 54 . 1 1 53 53 THR N N 53 117.400 117.400 119.334 -1.934 18531 14081 1 54 . 1 1 53 53 THR HA H 53 5.270 5.270 5.248 0.022 18531 14082 1 54 . 1 1 53 53 THR CA C 53 61.200 61.200 61.205 -0.005 18531 14083 1 54 . 1 1 53 53 THR CB C 53 71.000 71.000 72.204 -1.204 18531 14084 1 54 . 1 1 53 53 THR H H 53 9.180 9.180 8.441 0.739 18531 14085 1 54 . 1 1 54 54 VAL N N 54 123.000 123.000 124.798 -1.798 18531 14086 1 54 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.401 0.059 18531 14087 1 54 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.401 -2.301 18531 14088 1 54 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.334 -1.034 18531 14089 1 54 . 1 1 54 54 VAL H H 54 8.280 8.280 8.876 -0.596 18531 14090 1 54 . 1 1 55 55 THR N N 55 123.900 123.900 122.001 1.899 18531 14091 1 54 . 1 1 55 55 THR HA H 55 4.700 4.700 4.567 0.133 18531 14092 1 54 . 1 1 55 55 THR CA C 55 61.200 61.200 60.766 0.434 18531 14093 1 54 . 1 1 55 55 THR CB C 55 70.700 70.700 70.130 0.570 18531 14094 1 54 . 1 1 55 55 THR H H 55 8.320 8.320 7.988 0.332 18531 14095 1 55 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.817 0.233 18531 14096 1 55 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.528 1.073 18531 14097 1 55 . 1 1 2 2 GLN CB C 2 30.700 30.700 29.918 0.782 18531 14098 1 55 . 1 1 2 2 GLN H H 2 8.410 8.410 8.080 0.330 18531 14099 1 55 . 1 1 3 3 TYR N N 3 124.000 124.000 123.569 0.431 18531 14100 1 55 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.888 0.472 18531 14101 1 55 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.660 0.440 18531 14102 1 55 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.600 2.000 18531 14103 1 55 . 1 1 3 3 TYR H H 3 9.070 9.070 8.888 0.182 18531 14104 1 55 . 1 1 4 4 LYS N N 4 122.500 122.500 121.929 0.571 18531 14105 1 55 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.670 0.550 18531 14106 1 55 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.125 -0.125 18531 14107 1 55 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.752 0.248 18531 14108 1 55 . 1 1 4 4 LYS H H 4 9.100 9.100 8.811 0.289 18531 14109 1 55 . 1 1 5 5 LEU N N 5 126.400 126.400 128.887 -2.487 18531 14110 1 55 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.595 0.375 18531 14111 1 55 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.608 -0.808 18531 14112 1 55 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.493 -0.893 18531 14113 1 55 . 1 1 5 5 LEU H H 5 8.620 8.620 8.177 0.443 18531 14114 1 55 . 1 1 6 6 VAL N N 6 127.000 127.000 128.194 -1.194 18531 14115 1 55 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.217 -0.057 18531 14116 1 55 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.622 0.678 18531 14117 1 55 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.864 0.836 18531 14118 1 55 . 1 1 6 6 VAL H H 6 9.190 9.190 9.106 0.084 18531 14119 1 55 . 1 1 7 7 ILE N N 7 125.400 125.400 128.085 -2.685 18531 14120 1 55 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.390 -0.300 18531 14121 1 55 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.576 0.124 18531 14122 1 55 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.787 -0.787 18531 14123 1 55 . 1 1 7 7 ILE H H 7 8.800 8.800 7.779 1.021 18531 14124 1 55 . 1 1 8 8 ASN N N 8 128.900 128.900 123.469 5.431 18531 14125 1 55 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.987 0.293 18531 14126 1 55 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.688 -1.887 18531 14127 1 55 . 1 1 8 8 ASN CB C 8 38.100 38.100 40.338 -2.238 18531 14128 1 55 . 1 1 8 8 ASN H H 8 8.990 8.990 8.911 0.079 18531 14129 1 55 . 1 1 9 9 GLY N N 9 110.200 110.200 108.465 1.735 18531 14130 1 55 . 1 1 9 9 GLY CA C 9 44.700 44.700 43.551 1.149 18531 14131 1 55 . 1 1 9 9 GLY H H 9 7.920 7.920 8.208 -0.288 18531 14132 1 55 . 1 1 10 10 LYS N N 10 120.700 120.700 120.550 0.150 18531 14133 1 55 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.173 -0.113 18531 14134 1 55 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.660 0.540 18531 14135 1 55 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.893 0.007 18531 14136 1 55 . 1 1 10 10 LYS H H 10 9.520 9.520 8.465 1.055 18531 14137 1 55 . 1 1 11 11 THR N N 11 108.900 108.900 111.288 -2.388 18531 14138 1 55 . 1 1 11 11 THR HA H 11 4.360 4.360 4.401 -0.041 18531 14139 1 55 . 1 1 11 11 THR CA C 11 62.000 62.000 62.053 -0.053 18531 14140 1 55 . 1 1 11 11 THR CB C 11 69.800 69.800 69.598 0.202 18531 14141 1 55 . 1 1 11 11 THR H H 11 8.790 8.790 8.116 0.674 18531 14142 1 55 . 1 1 12 12 LEU N N 12 125.700 125.700 123.283 2.417 18531 14143 1 55 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.502 -0.062 18531 14144 1 55 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.678 -0.678 18531 14145 1 55 . 1 1 12 12 LEU CB C 12 43.300 43.300 45.370 -2.070 18531 14146 1 55 . 1 1 12 12 LEU H H 12 7.580 7.580 7.564 0.016 18531 14147 1 55 . 1 1 13 13 LYS N N 13 123.500 123.500 124.074 -0.574 18531 14148 1 55 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.629 0.491 18531 14149 1 55 . 1 1 13 13 LYS CA C 13 53.900 53.900 56.387 -2.487 18531 14150 1 55 . 1 1 13 13 LYS CB C 13 34.800 34.800 33.213 1.587 18531 14151 1 55 . 1 1 13 13 LYS H H 13 8.140 8.140 8.545 -0.405 18531 14152 1 55 . 1 1 14 14 GLY N N 14 109.100 109.100 108.842 0.258 18531 14153 1 55 . 1 1 14 14 GLY CA C 14 45.200 45.200 44.556 0.644 18531 14154 1 55 . 1 1 14 14 GLY H H 14 8.340 8.340 8.038 0.302 18531 14155 1 55 . 1 1 15 15 GLU N N 15 118.200 118.200 119.762 -1.562 18531 14156 1 55 . 1 1 15 15 GLU HA H 15 5.600 5.600 4.763 0.837 18531 14157 1 55 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.611 -1.111 18531 14158 1 55 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.521 1.279 18531 14159 1 55 . 1 1 15 15 GLU H H 15 8.390 8.390 8.402 -0.012 18531 14160 1 55 . 1 1 16 16 THR N N 16 115.600 115.600 119.778 -4.178 18531 14161 1 55 . 1 1 16 16 THR HA H 16 4.730 4.730 4.634 0.096 18531 14162 1 55 . 1 1 16 16 THR CA C 16 60.600 60.600 61.328 -0.728 18531 14163 1 55 . 1 1 16 16 THR CB C 16 69.500 69.500 68.701 0.799 18531 14164 1 55 . 1 1 16 16 THR H H 16 8.820 8.820 8.425 0.395 18531 14165 1 55 . 1 1 17 17 THR N N 17 111.800 111.800 119.915 -8.115 18531 14166 1 55 . 1 1 17 17 THR HA H 17 5.790 5.790 5.183 0.607 18531 14167 1 55 . 1 1 17 17 THR CA C 17 59.800 59.800 60.418 -0.618 18531 14168 1 55 . 1 1 17 17 THR CB C 17 73.100 73.100 70.552 2.548 18531 14169 1 55 . 1 1 17 17 THR H H 17 8.140 8.140 8.593 -0.453 18531 14170 1 55 . 1 1 18 18 THR N N 18 115.100 115.100 116.695 -1.595 18531 14171 1 55 . 1 1 18 18 THR HA H 18 4.640 4.640 4.633 0.007 18531 14172 1 55 . 1 1 18 18 THR CA C 18 61.900 61.900 60.932 0.968 18531 14173 1 55 . 1 1 18 18 THR CB C 18 70.000 70.000 70.097 -0.096 18531 14174 1 55 . 1 1 18 18 THR H H 18 8.930 8.930 9.352 -0.422 18531 14175 1 55 . 1 1 19 19 LYS N N 19 124.300 124.300 119.658 4.642 18531 14176 1 55 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.108 0.222 18531 14177 1 55 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.934 0.066 18531 14178 1 55 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.601 -1.801 18531 14179 1 55 . 1 1 19 19 LYS H H 19 7.950 7.950 8.216 -0.266 18531 14180 1 55 . 1 1 20 20 ALA N N 20 124.600 124.600 123.138 1.462 18531 14181 1 55 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.646 0.134 18531 14182 1 55 . 1 1 20 20 ALA CA C 20 50.900 50.900 52.044 -1.144 18531 14183 1 55 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.701 2.099 18531 14184 1 55 . 1 1 20 20 ALA H H 20 9.110 9.110 7.868 1.242 18531 14185 1 55 . 1 1 21 21 VAL N N 21 115.300 115.300 116.069 -0.769 18531 14186 1 55 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.887 0.223 18531 14187 1 55 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.270 -0.970 18531 14188 1 55 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.157 0.043 18531 14189 1 55 . 1 1 21 21 VAL H H 21 8.480 8.480 8.528 -0.048 18531 14190 1 55 . 1 1 22 22 ASP N N 22 115.200 115.200 113.941 1.259 18531 14191 1 55 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.930 -0.220 18531 14192 1 55 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.794 -0.394 18531 14193 1 55 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.130 0.070 18531 14194 1 55 . 1 1 22 22 ASP H H 22 7.310 7.310 7.634 -0.324 18531 14195 1 55 . 1 1 23 23 ALA N N 23 121.000 121.000 122.232 -1.232 18531 14196 1 55 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.534 -0.194 18531 14197 1 55 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.930 -0.030 18531 14198 1 55 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.369 -0.869 18531 14199 1 55 . 1 1 23 23 ALA H H 23 8.370 8.370 8.651 -0.281 18531 14200 1 55 . 1 1 24 24 GLU N N 24 118.900 118.900 119.509 -0.609 18531 14201 1 55 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.948 -0.088 18531 14202 1 55 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.371 0.329 18531 14203 1 55 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.179 -0.079 18531 14204 1 55 . 1 1 24 24 GLU H H 24 8.410 8.410 8.309 0.101 18531 14205 1 55 . 1 1 25 25 THR N N 25 117.400 117.400 113.264 4.136 18531 14206 1 55 . 1 1 25 25 THR HA H 25 3.670 3.670 4.213 -0.543 18531 14207 1 55 . 1 1 25 25 THR CA C 25 66.800 66.800 63.880 2.920 18531 14208 1 55 . 1 1 25 25 THR CB C 25 68.000 68.000 68.867 -0.867 18531 14209 1 55 . 1 1 25 25 THR H H 25 8.380 8.380 7.953 0.427 18531 14210 1 55 . 1 1 26 26 ALA N N 26 125.100 125.100 124.830 0.270 18531 14211 1 55 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.776 -0.586 18531 14212 1 55 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.969 0.031 18531 14213 1 55 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.853 -0.553 18531 14214 1 55 . 1 1 26 26 ALA H H 26 7.220 7.220 8.124 -0.904 18531 14215 1 55 . 1 1 27 27 GLU N N 27 117.400 117.400 118.402 -1.002 18531 14216 1 55 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.922 -1.332 18531 14217 1 55 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.740 -0.040 18531 14218 1 55 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.541 -0.341 18531 14219 1 55 . 1 1 27 27 GLU H H 27 8.370 8.370 8.282 0.088 18531 14220 1 55 . 1 1 28 28 LYS N N 28 116.300 116.300 118.712 -2.412 18531 14221 1 55 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.900 -0.230 18531 14222 1 55 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.041 0.559 18531 14223 1 55 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.188 0.012 18531 14224 1 55 . 1 1 28 28 LYS H H 28 7.170 7.170 7.743 -0.573 18531 14225 1 55 . 1 1 29 29 ALA N N 29 122.000 122.000 121.225 0.775 18531 14226 1 55 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.033 0.057 18531 14227 1 55 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.378 0.322 18531 14228 1 55 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.052 -0.552 18531 14229 1 55 . 1 1 29 29 ALA H H 29 7.200 7.200 7.248 -0.048 18531 14230 1 55 . 1 1 30 30 PHE N N 30 119.600 119.600 118.298 1.302 18531 14231 1 55 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.414 0.366 18531 14232 1 55 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.802 -3.202 18531 14233 1 55 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.754 -1.354 18531 14234 1 55 . 1 1 30 30 PHE H H 30 8.610 8.610 7.594 1.016 18531 14235 1 55 . 1 1 31 31 LYS N N 31 122.800 122.800 119.745 3.055 18531 14236 1 55 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.167 -0.077 18531 14237 1 55 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.276 0.424 18531 14238 1 55 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.862 -0.262 18531 14239 1 55 . 1 1 31 31 LYS H H 31 9.030 9.030 8.232 0.798 18531 14240 1 55 . 1 1 32 32 GLN N N 32 119.600 119.600 116.987 2.613 18531 14241 1 55 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.260 -0.230 18531 14242 1 55 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.868 0.832 18531 14243 1 55 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.697 -0.597 18531 14244 1 55 . 1 1 32 32 GLN H H 32 7.510 7.510 7.611 -0.101 18531 14245 1 55 . 1 1 33 33 TYR N N 33 120.400 120.400 120.156 0.244 18531 14246 1 55 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.449 -0.199 18531 14247 1 55 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.328 1.472 18531 14248 1 55 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.772 -1.072 18531 14249 1 55 . 1 1 33 33 TYR H H 33 8.080 8.080 8.165 -0.085 18531 14250 1 55 . 1 1 34 34 ALA N N 34 122.300 122.300 121.032 1.268 18531 14251 1 55 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.822 -0.042 18531 14252 1 55 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.541 0.559 18531 14253 1 55 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.206 -0.506 18531 14254 1 55 . 1 1 34 34 ALA H H 34 9.210 9.210 8.154 1.056 18531 14255 1 55 . 1 1 35 35 ASN N N 35 117.700 117.700 115.211 2.489 18531 14256 1 55 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.529 -0.069 18531 14257 1 55 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.737 1.263 18531 14258 1 55 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.357 0.643 18531 14259 1 55 . 1 1 35 35 ASN H H 35 8.390 8.390 8.162 0.228 18531 14260 1 55 . 1 1 36 36 ASP N N 36 121.100 121.100 117.557 3.543 18531 14261 1 55 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.651 -0.291 18531 14262 1 55 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.057 1.643 18531 14263 1 55 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.423 -1.423 18531 14264 1 55 . 1 1 36 36 ASP H H 36 8.830 8.830 7.875 0.955 18531 14265 1 55 . 1 1 37 37 ASN N N 37 115.200 115.200 116.074 -0.874 18531 14266 1 55 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.657 -0.047 18531 14267 1 55 . 1 1 37 37 ASN CA C 37 53.700 53.700 53.272 0.428 18531 14268 1 55 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.899 0.101 18531 14269 1 55 . 1 1 37 37 ASN H H 37 7.390 7.390 7.629 -0.239 18531 14270 1 55 . 1 1 38 38 GLY N N 38 108.200 108.200 108.109 0.091 18531 14271 1 55 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.318 1.082 18531 14272 1 55 . 1 1 38 38 GLY H H 38 7.800 7.800 8.053 -0.253 18531 14273 1 55 . 1 1 39 39 VAL N N 39 120.800 120.800 121.608 -0.808 18531 14274 1 55 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.176 -0.036 18531 14275 1 55 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.157 0.543 18531 14276 1 55 . 1 1 39 39 VAL CB C 39 33.300 33.300 31.892 1.408 18531 14277 1 55 . 1 1 39 39 VAL H H 39 8.120 8.120 8.036 0.084 18531 14278 1 55 . 1 1 40 40 ASP N N 40 128.000 128.000 126.352 1.648 18531 14279 1 55 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.886 0.004 18531 14280 1 55 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.166 -0.366 18531 14281 1 55 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.055 -0.955 18531 14282 1 55 . 1 1 40 40 ASP H H 40 8.770 8.770 8.495 0.275 18531 14283 1 55 . 1 1 41 41 GLY N N 41 107.100 107.100 109.377 -2.277 18531 14284 1 55 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.623 -0.223 18531 14285 1 55 . 1 1 41 41 GLY H H 41 7.910 7.910 8.141 -0.231 18531 14286 1 55 . 1 1 42 42 VAL N N 42 120.300 120.300 119.875 0.425 18531 14287 1 55 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.571 -0.191 18531 14288 1 55 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.359 1.741 18531 14289 1 55 . 1 1 42 42 VAL CB C 42 33.400 33.400 34.109 -0.709 18531 14290 1 55 . 1 1 42 42 VAL H H 42 8.250 8.250 8.535 -0.285 18531 14291 1 55 . 1 1 43 43 TRP N N 43 130.700 130.700 124.232 6.468 18531 14292 1 55 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.324 0.036 18531 14293 1 55 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.098 1.502 18531 14294 1 55 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.170 -0.970 18531 14295 1 55 . 1 1 43 43 TRP H H 43 9.360 9.360 8.552 0.808 18531 14296 1 55 . 1 1 44 44 THR N N 44 114.500 114.500 119.374 -4.874 18531 14297 1 55 . 1 1 44 44 THR HA H 44 4.830 4.830 4.746 0.084 18531 14298 1 55 . 1 1 44 44 THR CA C 44 60.300 60.300 61.350 -1.050 18531 14299 1 55 . 1 1 44 44 THR CB C 44 72.100 72.100 69.938 2.163 18531 14300 1 55 . 1 1 44 44 THR H H 44 9.400 9.400 8.448 0.952 18531 14301 1 55 . 1 1 45 45 TYR N N 45 120.100 120.100 126.143 -6.043 18531 14302 1 55 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.144 -0.174 18531 14303 1 55 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.153 1.847 18531 14304 1 55 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.593 1.007 18531 14305 1 55 . 1 1 45 45 TYR H H 45 8.580 8.580 8.576 0.004 18531 14306 1 55 . 1 1 46 46 ASP N N 46 128.300 128.300 123.983 4.317 18531 14307 1 55 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.403 0.177 18531 14308 1 55 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.490 0.410 18531 14309 1 55 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.122 -0.022 18531 14310 1 55 . 1 1 46 46 ASP H H 46 7.580 7.580 8.347 -0.767 18531 14311 1 55 . 1 1 47 47 ASP N N 47 124.800 124.800 124.685 0.115 18531 14312 1 55 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.707 -0.597 18531 14313 1 55 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.473 1.027 18531 14314 1 55 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.498 1.602 18531 14315 1 55 . 1 1 47 47 ASP H H 47 8.590 8.590 8.327 0.263 18531 14316 1 55 . 1 1 48 48 ALA N N 48 119.700 119.700 122.364 -2.664 18531 14317 1 55 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.452 -0.362 18531 14318 1 55 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.021 0.979 18531 14319 1 55 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.630 -2.329 18531 14320 1 55 . 1 1 48 48 ALA H H 48 8.340 8.340 8.285 0.055 18531 14321 1 55 . 1 1 49 49 THR N N 49 103.200 103.200 113.062 -9.862 18531 14322 1 55 . 1 1 49 49 THR HA H 49 4.390 4.390 4.572 -0.182 18531 14323 1 55 . 1 1 49 49 THR CA C 49 60.200 60.200 60.871 -0.671 18531 14324 1 55 . 1 1 49 49 THR CB C 49 70.000 70.000 69.420 0.580 18531 14325 1 55 . 1 1 49 49 THR H H 49 7.000 7.000 7.973 -0.973 18531 14326 1 55 . 1 1 50 50 LYS N N 50 123.100 123.100 117.754 5.346 18531 14327 1 55 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.262 -0.072 18531 14328 1 55 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.581 -0.981 18531 14329 1 55 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.752 -1.152 18531 14330 1 55 . 1 1 50 50 LYS H H 50 7.860 7.860 8.023 -0.163 18531 14331 1 55 . 1 1 51 51 THR N N 51 111.200 111.200 115.158 -3.958 18531 14332 1 55 . 1 1 51 51 THR HA H 51 5.490 5.490 4.756 0.734 18531 14333 1 55 . 1 1 51 51 THR CA C 51 62.300 62.300 62.719 -0.419 18531 14334 1 55 . 1 1 51 51 THR CB C 51 72.100 72.100 71.526 0.574 18531 14335 1 55 . 1 1 51 51 THR H H 51 7.390 7.390 7.657 -0.267 18531 14336 1 55 . 1 1 52 52 PHE N N 52 131.000 131.000 127.867 3.133 18531 14337 1 55 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.142 0.488 18531 14338 1 55 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.662 0.638 18531 14339 1 55 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.068 0.532 18531 14340 1 55 . 1 1 52 52 PHE H H 52 10.390 10.390 9.015 1.375 18531 14341 1 55 . 1 1 53 53 THR N N 53 117.400 117.400 120.465 -3.065 18531 14342 1 55 . 1 1 53 53 THR HA H 53 5.270 5.270 5.160 0.110 18531 14343 1 55 . 1 1 53 53 THR CA C 53 61.200 61.200 60.996 0.204 18531 14344 1 55 . 1 1 53 53 THR CB C 53 71.000 71.000 70.824 0.176 18531 14345 1 55 . 1 1 53 53 THR H H 53 9.180 9.180 9.249 -0.069 18531 14346 1 55 . 1 1 54 54 VAL N N 54 123.000 123.000 127.286 -4.286 18531 14347 1 55 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.248 0.212 18531 14348 1 55 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.691 -2.591 18531 14349 1 55 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.580 -0.280 18531 14350 1 55 . 1 1 54 54 VAL H H 54 8.280 8.280 8.874 -0.594 18531 14351 1 55 . 1 1 55 55 THR N N 55 123.900 123.900 123.173 0.727 18531 14352 1 55 . 1 1 55 55 THR HA H 55 4.700 4.700 4.422 0.278 18531 14353 1 55 . 1 1 55 55 THR CA C 55 61.200 61.200 62.324 -1.124 18531 14354 1 55 . 1 1 55 55 THR CB C 55 70.700 70.700 69.634 1.066 18531 14355 1 55 . 1 1 55 55 THR H H 55 8.320 8.320 8.363 -0.043 18531 14356 1 56 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.924 0.126 18531 14357 1 56 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.641 -0.041 18531 14358 1 56 . 1 1 2 2 GLN CB C 2 30.700 30.700 32.178 -1.478 18531 14359 1 56 . 1 1 2 2 GLN H H 2 8.410 8.410 8.135 0.275 18531 14360 1 56 . 1 1 3 3 TYR N N 3 124.000 124.000 123.551 0.449 18531 14361 1 56 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.891 0.469 18531 14362 1 56 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.600 0.500 18531 14363 1 56 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.639 0.961 18531 14364 1 56 . 1 1 3 3 TYR H H 3 9.070 9.070 9.506 -0.436 18531 14365 1 56 . 1 1 4 4 LYS N N 4 122.500 122.500 122.551 -0.051 18531 14366 1 56 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.644 0.576 18531 14367 1 56 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.983 0.017 18531 14368 1 56 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.298 0.702 18531 14369 1 56 . 1 1 4 4 LYS H H 4 9.100 9.100 8.613 0.487 18531 14370 1 56 . 1 1 5 5 LEU N N 5 126.400 126.400 128.907 -2.507 18531 14371 1 56 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.605 0.365 18531 14372 1 56 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.378 -0.578 18531 14373 1 56 . 1 1 5 5 LEU CB C 5 42.600 42.600 42.700 -0.100 18531 14374 1 56 . 1 1 5 5 LEU H H 5 8.620 8.620 8.411 0.209 18531 14375 1 56 . 1 1 6 6 VAL N N 6 127.000 127.000 129.483 -2.483 18531 14376 1 56 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.198 -0.038 18531 14377 1 56 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.294 1.006 18531 14378 1 56 . 1 1 6 6 VAL CB C 6 32.700 32.700 31.373 1.327 18531 14379 1 56 . 1 1 6 6 VAL H H 6 9.190 9.190 9.272 -0.082 18531 14380 1 56 . 1 1 7 7 ILE N N 7 125.400 125.400 128.874 -3.474 18531 14381 1 56 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.410 -0.320 18531 14382 1 56 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.742 -0.042 18531 14383 1 56 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.319 -0.319 18531 14384 1 56 . 1 1 7 7 ILE H H 7 8.800 8.800 7.913 0.887 18531 14385 1 56 . 1 1 8 8 ASN N N 8 128.900 128.900 124.073 4.827 18531 14386 1 56 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.928 0.352 18531 14387 1 56 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.492 -1.692 18531 14388 1 56 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.848 -1.748 18531 14389 1 56 . 1 1 8 8 ASN H H 8 8.990 8.990 8.894 0.096 18531 14390 1 56 . 1 1 9 9 GLY N N 9 110.200 110.200 107.534 2.666 18531 14391 1 56 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.230 0.470 18531 14392 1 56 . 1 1 9 9 GLY H H 9 7.920 7.920 7.719 0.201 18531 14393 1 56 . 1 1 10 10 LYS N N 10 120.700 120.700 120.360 0.340 18531 14394 1 56 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.069 -0.009 18531 14395 1 56 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.833 0.367 18531 14396 1 56 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.635 0.266 18531 14397 1 56 . 1 1 10 10 LYS H H 10 9.520 9.520 8.701 0.819 18531 14398 1 56 . 1 1 11 11 THR N N 11 108.900 108.900 108.608 0.292 18531 14399 1 56 . 1 1 11 11 THR HA H 11 4.360 4.360 4.351 0.009 18531 14400 1 56 . 1 1 11 11 THR CA C 11 62.000 62.000 62.864 -0.864 18531 14401 1 56 . 1 1 11 11 THR CB C 11 69.800 69.800 68.944 0.856 18531 14402 1 56 . 1 1 11 11 THR H H 11 8.790 8.790 7.581 1.209 18531 14403 1 56 . 1 1 12 12 LEU N N 12 125.700 125.700 124.880 0.820 18531 14404 1 56 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.526 -0.086 18531 14405 1 56 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.242 0.758 18531 14406 1 56 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.107 1.193 18531 14407 1 56 . 1 1 12 12 LEU H H 12 7.580 7.580 7.798 -0.218 18531 14408 1 56 . 1 1 13 13 LYS N N 13 123.500 123.500 124.916 -1.416 18531 14409 1 56 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.584 0.536 18531 14410 1 56 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.233 -1.333 18531 14411 1 56 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.082 -0.282 18531 14412 1 56 . 1 1 13 13 LYS H H 13 8.140 8.140 8.368 -0.228 18531 14413 1 56 . 1 1 14 14 GLY N N 14 109.100 109.100 109.919 -0.819 18531 14414 1 56 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.718 -0.518 18531 14415 1 56 . 1 1 14 14 GLY H H 14 8.340 8.340 8.202 0.138 18531 14416 1 56 . 1 1 15 15 GLU N N 15 118.200 118.200 120.501 -2.301 18531 14417 1 56 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.216 0.384 18531 14418 1 56 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.556 -1.056 18531 14419 1 56 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.944 0.856 18531 14420 1 56 . 1 1 15 15 GLU H H 15 8.390 8.390 8.429 -0.039 18531 14421 1 56 . 1 1 16 16 THR N N 16 115.600 115.600 123.064 -7.464 18531 14422 1 56 . 1 1 16 16 THR HA H 16 4.730 4.730 4.547 0.183 18531 14423 1 56 . 1 1 16 16 THR CA C 16 60.600 60.600 61.203 -0.603 18531 14424 1 56 . 1 1 16 16 THR CB C 16 69.500 69.500 68.944 0.556 18531 14425 1 56 . 1 1 16 16 THR H H 16 8.820 8.820 8.926 -0.106 18531 14426 1 56 . 1 1 17 17 THR N N 17 111.800 111.800 119.136 -7.336 18531 14427 1 56 . 1 1 17 17 THR HA H 17 5.790 5.790 5.331 0.459 18531 14428 1 56 . 1 1 17 17 THR CA C 17 59.800 59.800 60.281 -0.481 18531 14429 1 56 . 1 1 17 17 THR CB C 17 73.100 73.100 70.754 2.346 18531 14430 1 56 . 1 1 17 17 THR H H 17 8.140 8.140 8.521 -0.381 18531 14431 1 56 . 1 1 18 18 THR N N 18 115.100 115.100 117.118 -2.018 18531 14432 1 56 . 1 1 18 18 THR HA H 18 4.640 4.640 4.715 -0.075 18531 14433 1 56 . 1 1 18 18 THR CA C 18 61.900 61.900 61.112 0.788 18531 14434 1 56 . 1 1 18 18 THR CB C 18 70.000 70.000 69.925 0.075 18531 14435 1 56 . 1 1 18 18 THR H H 18 8.930 8.930 9.350 -0.420 18531 14436 1 56 . 1 1 19 19 LYS N N 19 124.300 124.300 119.548 4.752 18531 14437 1 56 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.958 0.372 18531 14438 1 56 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.507 -0.507 18531 14439 1 56 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.382 -0.582 18531 14440 1 56 . 1 1 19 19 LYS H H 19 7.950 7.950 8.285 -0.335 18531 14441 1 56 . 1 1 20 20 ALA N N 20 124.600 124.600 124.804 -0.204 18531 14442 1 56 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.477 0.303 18531 14443 1 56 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.507 -0.607 18531 14444 1 56 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.097 2.703 18531 14445 1 56 . 1 1 20 20 ALA H H 20 9.110 9.110 8.074 1.036 18531 14446 1 56 . 1 1 21 21 VAL N N 21 115.300 115.300 118.935 -3.635 18531 14447 1 56 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.892 0.218 18531 14448 1 56 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.731 -1.431 18531 14449 1 56 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.148 0.052 18531 14450 1 56 . 1 1 21 21 VAL H H 21 8.480 8.480 8.524 -0.044 18531 14451 1 56 . 1 1 22 22 ASP N N 22 115.200 115.200 113.479 1.721 18531 14452 1 56 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.898 -0.188 18531 14453 1 56 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.144 0.256 18531 14454 1 56 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.544 0.656 18531 14455 1 56 . 1 1 22 22 ASP H H 22 7.310 7.310 7.606 -0.296 18531 14456 1 56 . 1 1 23 23 ALA N N 23 121.000 121.000 122.573 -1.573 18531 14457 1 56 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.592 -0.252 18531 14458 1 56 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.305 -0.405 18531 14459 1 56 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.522 -1.022 18531 14460 1 56 . 1 1 23 23 ALA H H 23 8.370 8.370 8.827 -0.457 18531 14461 1 56 . 1 1 24 24 GLU N N 24 118.900 118.900 119.043 -0.143 18531 14462 1 56 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.879 -0.019 18531 14463 1 56 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.467 0.233 18531 14464 1 56 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.846 0.254 18531 14465 1 56 . 1 1 24 24 GLU H H 24 8.410 8.410 8.489 -0.079 18531 14466 1 56 . 1 1 25 25 THR N N 25 117.400 117.400 113.226 4.174 18531 14467 1 56 . 1 1 25 25 THR HA H 25 3.670 3.670 4.170 -0.499 18531 14468 1 56 . 1 1 25 25 THR CA C 25 66.800 66.800 63.665 3.135 18531 14469 1 56 . 1 1 25 25 THR CB C 25 68.000 68.000 68.709 -0.709 18531 14470 1 56 . 1 1 25 25 THR H H 25 8.380 8.380 7.726 0.654 18531 14471 1 56 . 1 1 26 26 ALA N N 26 125.100 125.100 124.350 0.750 18531 14472 1 56 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.472 -0.282 18531 14473 1 56 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.890 0.110 18531 14474 1 56 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.266 0.034 18531 14475 1 56 . 1 1 26 26 ALA H H 26 7.220 7.220 8.129 -0.909 18531 14476 1 56 . 1 1 27 27 GLU N N 27 117.400 117.400 118.279 -0.879 18531 14477 1 56 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.882 -1.292 18531 14478 1 56 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.866 -0.166 18531 14479 1 56 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.405 -0.205 18531 14480 1 56 . 1 1 27 27 GLU H H 27 8.370 8.370 8.203 0.167 18531 14481 1 56 . 1 1 28 28 LYS N N 28 116.300 116.300 119.284 -2.984 18531 14482 1 56 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.800 -0.130 18531 14483 1 56 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.471 0.129 18531 14484 1 56 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.043 0.157 18531 14485 1 56 . 1 1 28 28 LYS H H 28 7.170 7.170 7.569 -0.399 18531 14486 1 56 . 1 1 29 29 ALA N N 29 122.000 122.000 121.230 0.770 18531 14487 1 56 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.932 0.158 18531 14488 1 56 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.836 -0.136 18531 14489 1 56 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.157 -0.657 18531 14490 1 56 . 1 1 29 29 ALA H H 29 7.200 7.200 7.394 -0.194 18531 14491 1 56 . 1 1 30 30 PHE N N 30 119.600 119.600 117.095 2.505 18531 14492 1 56 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.424 0.356 18531 14493 1 56 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.376 -2.776 18531 14494 1 56 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.653 -1.253 18531 14495 1 56 . 1 1 30 30 PHE H H 30 8.610 8.610 7.267 1.343 18531 14496 1 56 . 1 1 31 31 LYS N N 31 122.800 122.800 120.205 2.595 18531 14497 1 56 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.093 -0.003 18531 14498 1 56 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.544 -0.844 18531 14499 1 56 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.599 0.001 18531 14500 1 56 . 1 1 31 31 LYS H H 31 9.030 9.030 8.701 0.329 18531 14501 1 56 . 1 1 32 32 GLN N N 32 119.600 119.600 117.077 2.523 18531 14502 1 56 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.094 -0.064 18531 14503 1 56 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.684 0.016 18531 14504 1 56 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.767 -0.667 18531 14505 1 56 . 1 1 32 32 GLN H H 32 7.510 7.510 8.077 -0.567 18531 14506 1 56 . 1 1 33 33 TYR N N 33 120.400 120.400 120.656 -0.256 18531 14507 1 56 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.329 -0.079 18531 14508 1 56 . 1 1 33 33 TYR CA C 33 61.800 61.800 61.270 0.530 18531 14509 1 56 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.942 -0.242 18531 14510 1 56 . 1 1 33 33 TYR H H 33 8.080 8.080 7.939 0.141 18531 14511 1 56 . 1 1 34 34 ALA N N 34 122.300 122.300 121.304 0.996 18531 14512 1 56 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.964 -0.184 18531 14513 1 56 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.303 0.797 18531 14514 1 56 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.507 -0.807 18531 14515 1 56 . 1 1 34 34 ALA H H 34 9.210 9.210 8.771 0.439 18531 14516 1 56 . 1 1 35 35 ASN N N 35 117.700 117.700 116.395 1.305 18531 14517 1 56 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.543 -0.083 18531 14518 1 56 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.263 1.737 18531 14519 1 56 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.301 0.699 18531 14520 1 56 . 1 1 35 35 ASN H H 35 8.390 8.390 8.633 -0.243 18531 14521 1 56 . 1 1 36 36 ASP N N 36 121.100 121.100 118.536 2.564 18531 14522 1 56 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.573 -0.213 18531 14523 1 56 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.056 0.644 18531 14524 1 56 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.794 -0.794 18531 14525 1 56 . 1 1 36 36 ASP H H 36 8.830 8.830 7.758 1.073 18531 14526 1 56 . 1 1 37 37 ASN N N 37 115.200 115.200 116.660 -1.460 18531 14527 1 56 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.853 -0.243 18531 14528 1 56 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.522 1.179 18531 14529 1 56 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.588 1.412 18531 14530 1 56 . 1 1 37 37 ASN H H 37 7.390 7.390 7.520 -0.130 18531 14531 1 56 . 1 1 38 38 GLY N N 38 108.200 108.200 108.217 -0.017 18531 14532 1 56 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.099 0.301 18531 14533 1 56 . 1 1 38 38 GLY H H 38 7.800 7.800 7.682 0.118 18531 14534 1 56 . 1 1 39 39 VAL N N 39 120.800 120.800 120.072 0.728 18531 14535 1 56 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.195 -0.055 18531 14536 1 56 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.642 0.058 18531 14537 1 56 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.454 0.846 18531 14538 1 56 . 1 1 39 39 VAL H H 39 8.120 8.120 8.053 0.067 18531 14539 1 56 . 1 1 40 40 ASP N N 40 128.000 128.000 126.261 1.739 18531 14540 1 56 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.863 0.027 18531 14541 1 56 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.267 -0.467 18531 14542 1 56 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.322 -1.222 18531 14543 1 56 . 1 1 40 40 ASP H H 40 8.770 8.770 8.402 0.368 18531 14544 1 56 . 1 1 41 41 GLY N N 41 107.100 107.100 109.838 -2.738 18531 14545 1 56 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.201 0.199 18531 14546 1 56 . 1 1 41 41 GLY H H 41 7.910 7.910 8.180 -0.270 18531 14547 1 56 . 1 1 42 42 VAL N N 42 120.300 120.300 121.943 -1.643 18531 14548 1 56 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.308 0.072 18531 14549 1 56 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.828 0.272 18531 14550 1 56 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.258 0.142 18531 14551 1 56 . 1 1 42 42 VAL H H 42 8.250 8.250 8.497 -0.247 18531 14552 1 56 . 1 1 43 43 TRP N N 43 130.700 130.700 124.591 6.109 18531 14553 1 56 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.263 0.097 18531 14554 1 56 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.843 1.757 18531 14555 1 56 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.226 -0.026 18531 14556 1 56 . 1 1 43 43 TRP H H 43 9.360 9.360 8.500 0.860 18531 14557 1 56 . 1 1 44 44 THR N N 44 114.500 114.500 119.291 -4.791 18531 14558 1 56 . 1 1 44 44 THR HA H 44 4.830 4.830 4.752 0.078 18531 14559 1 56 . 1 1 44 44 THR CA C 44 60.300 60.300 61.224 -0.924 18531 14560 1 56 . 1 1 44 44 THR CB C 44 72.100 72.100 69.215 2.885 18531 14561 1 56 . 1 1 44 44 THR H H 44 9.400 9.400 8.432 0.968 18531 14562 1 56 . 1 1 45 45 TYR N N 45 120.100 120.100 127.002 -6.902 18531 14563 1 56 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.295 -0.325 18531 14564 1 56 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.834 2.166 18531 14565 1 56 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.684 0.915 18531 14566 1 56 . 1 1 45 45 TYR H H 45 8.580 8.580 8.368 0.212 18531 14567 1 56 . 1 1 46 46 ASP N N 46 128.300 128.300 122.944 5.356 18531 14568 1 56 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.455 0.125 18531 14569 1 56 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.788 0.112 18531 14570 1 56 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.929 -0.829 18531 14571 1 56 . 1 1 46 46 ASP H H 46 7.580 7.580 8.513 -0.933 18531 14572 1 56 . 1 1 47 47 ASP N N 47 124.800 124.800 124.762 0.038 18531 14573 1 56 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.795 -0.685 18531 14574 1 56 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.222 1.278 18531 14575 1 56 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.276 1.824 18531 14576 1 56 . 1 1 47 47 ASP H H 47 8.590 8.590 8.645 -0.055 18531 14577 1 56 . 1 1 48 48 ALA N N 48 119.700 119.700 122.079 -2.379 18531 14578 1 56 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.406 -0.316 18531 14579 1 56 . 1 1 48 48 ALA CA C 48 55.000 55.000 52.910 2.090 18531 14580 1 56 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.562 -1.262 18531 14581 1 56 . 1 1 48 48 ALA H H 48 8.340 8.340 8.055 0.285 18531 14582 1 56 . 1 1 49 49 THR N N 49 103.200 103.200 113.297 -10.097 18531 14583 1 56 . 1 1 49 49 THR HA H 49 4.390 4.390 4.451 -0.061 18531 14584 1 56 . 1 1 49 49 THR CA C 49 60.200 60.200 60.521 -0.321 18531 14585 1 56 . 1 1 49 49 THR CB C 49 70.000 70.000 68.386 1.614 18531 14586 1 56 . 1 1 49 49 THR H H 49 7.000 7.000 8.270 -1.270 18531 14587 1 56 . 1 1 50 50 LYS N N 50 123.100 123.100 117.845 5.255 18531 14588 1 56 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.185 0.005 18531 14589 1 56 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.712 -1.112 18531 14590 1 56 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.861 -1.261 18531 14591 1 56 . 1 1 50 50 LYS H H 50 7.860 7.860 8.106 -0.246 18531 14592 1 56 . 1 1 51 51 THR N N 51 111.200 111.200 114.978 -3.778 18531 14593 1 56 . 1 1 51 51 THR HA H 51 5.490 5.490 4.719 0.771 18531 14594 1 56 . 1 1 51 51 THR CA C 51 62.300 62.300 62.737 -0.438 18531 14595 1 56 . 1 1 51 51 THR CB C 51 72.100 72.100 70.986 1.114 18531 14596 1 56 . 1 1 51 51 THR H H 51 7.390 7.390 7.646 -0.256 18531 14597 1 56 . 1 1 52 52 PHE N N 52 131.000 131.000 127.818 3.182 18531 14598 1 56 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.257 0.373 18531 14599 1 56 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.551 0.749 18531 14600 1 56 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.858 0.742 18531 14601 1 56 . 1 1 52 52 PHE H H 52 10.390 10.390 8.877 1.513 18531 14602 1 56 . 1 1 53 53 THR N N 53 117.400 117.400 121.412 -4.012 18531 14603 1 56 . 1 1 53 53 THR HA H 53 5.270 5.270 5.097 0.173 18531 14604 1 56 . 1 1 53 53 THR CA C 53 61.200 61.200 61.504 -0.304 18531 14605 1 56 . 1 1 53 53 THR CB C 53 71.000 71.000 70.144 0.856 18531 14606 1 56 . 1 1 53 53 THR H H 53 9.180 9.180 9.259 -0.079 18531 14607 1 56 . 1 1 54 54 VAL N N 54 123.000 123.000 128.088 -5.088 18531 14608 1 56 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.398 0.062 18531 14609 1 56 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.963 -2.863 18531 14610 1 56 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.790 -0.490 18531 14611 1 56 . 1 1 54 54 VAL H H 54 8.280 8.280 9.030 -0.750 18531 14612 1 56 . 1 1 55 55 THR N N 55 123.900 123.900 123.712 0.188 18531 14613 1 56 . 1 1 55 55 THR HA H 55 4.700 4.700 4.500 0.200 18531 14614 1 56 . 1 1 55 55 THR CA C 55 61.200 61.200 61.739 -0.539 18531 14615 1 56 . 1 1 55 55 THR CB C 55 70.700 70.700 69.986 0.714 18531 14616 1 56 . 1 1 55 55 THR H H 55 8.320 8.320 8.122 0.198 18531 14617 1 57 . 1 1 2 2 GLN HA H 2 5.050 5.050 5.018 0.032 18531 14618 1 57 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.797 0.803 18531 14619 1 57 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.528 -0.828 18531 14620 1 57 . 1 1 2 2 GLN H H 2 8.410 8.410 8.064 0.346 18531 14621 1 57 . 1 1 3 3 TYR N N 3 124.000 124.000 123.581 0.419 18531 14622 1 57 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.103 0.257 18531 14623 1 57 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.734 0.366 18531 14624 1 57 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.483 3.117 18531 14625 1 57 . 1 1 3 3 TYR H H 3 9.070 9.070 8.240 0.830 18531 14626 1 57 . 1 1 4 4 LYS N N 4 122.500 122.500 122.266 0.234 18531 14627 1 57 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.576 0.644 18531 14628 1 57 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.792 0.208 18531 14629 1 57 . 1 1 4 4 LYS CB C 4 36.000 36.000 34.228 1.772 18531 14630 1 57 . 1 1 4 4 LYS H H 4 9.100 9.100 8.453 0.647 18531 14631 1 57 . 1 1 5 5 LEU N N 5 126.400 126.400 129.005 -2.605 18531 14632 1 57 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.931 0.039 18531 14633 1 57 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.789 -0.989 18531 14634 1 57 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.926 -1.326 18531 14635 1 57 . 1 1 5 5 LEU H H 5 8.620 8.620 7.809 0.811 18531 14636 1 57 . 1 1 6 6 VAL N N 6 127.000 127.000 128.440 -1.440 18531 14637 1 57 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.782 -0.622 18531 14638 1 57 . 1 1 6 6 VAL CA C 6 62.300 62.300 60.882 1.418 18531 14639 1 57 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.984 -1.284 18531 14640 1 57 . 1 1 6 6 VAL H H 6 9.190 9.190 8.430 0.760 18531 14641 1 57 . 1 1 7 7 ILE N N 7 125.400 125.400 126.433 -1.033 18531 14642 1 57 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.278 -0.188 18531 14643 1 57 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.709 -0.009 18531 14644 1 57 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.021 -0.021 18531 14645 1 57 . 1 1 7 7 ILE H H 7 8.800 8.800 8.211 0.589 18531 14646 1 57 . 1 1 8 8 ASN N N 8 128.900 128.900 126.722 2.178 18531 14647 1 57 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.978 0.302 18531 14648 1 57 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.608 -1.808 18531 14649 1 57 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.681 -0.581 18531 14650 1 57 . 1 1 8 8 ASN H H 8 8.990 8.990 8.277 0.713 18531 14651 1 57 . 1 1 9 9 GLY N N 9 110.200 110.200 107.346 2.854 18531 14652 1 57 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.251 0.449 18531 14653 1 57 . 1 1 9 9 GLY H H 9 7.920 7.920 8.023 -0.103 18531 14654 1 57 . 1 1 10 10 LYS N N 10 120.700 120.700 120.993 -0.293 18531 14655 1 57 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.234 -0.174 18531 14656 1 57 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.129 1.071 18531 14657 1 57 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.097 -0.197 18531 14658 1 57 . 1 1 10 10 LYS H H 10 9.520 9.520 8.783 0.737 18531 14659 1 57 . 1 1 11 11 THR N N 11 108.900 108.900 111.690 -2.790 18531 14660 1 57 . 1 1 11 11 THR HA H 11 4.360 4.360 4.364 -0.004 18531 14661 1 57 . 1 1 11 11 THR CA C 11 62.000 62.000 62.286 -0.286 18531 14662 1 57 . 1 1 11 11 THR CB C 11 69.800 69.800 69.561 0.239 18531 14663 1 57 . 1 1 11 11 THR H H 11 8.790 8.790 8.226 0.564 18531 14664 1 57 . 1 1 12 12 LEU N N 12 125.700 125.700 123.257 2.443 18531 14665 1 57 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.465 -0.025 18531 14666 1 57 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.470 -0.470 18531 14667 1 57 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.813 -1.513 18531 14668 1 57 . 1 1 12 12 LEU H H 12 7.580 7.580 7.550 0.030 18531 14669 1 57 . 1 1 13 13 LYS N N 13 123.500 123.500 122.823 0.677 18531 14670 1 57 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.305 -0.185 18531 14671 1 57 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.044 -1.144 18531 14672 1 57 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.731 -0.931 18531 14673 1 57 . 1 1 13 13 LYS H H 13 8.140 8.140 8.338 -0.198 18531 14674 1 57 . 1 1 14 14 GLY N N 14 109.100 109.100 110.727 -1.627 18531 14675 1 57 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.788 -0.588 18531 14676 1 57 . 1 1 14 14 GLY H H 14 8.340 8.340 8.286 0.054 18531 14677 1 57 . 1 1 15 15 GLU N N 15 118.200 118.200 120.646 -2.446 18531 14678 1 57 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.424 0.176 18531 14679 1 57 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.216 -0.716 18531 14680 1 57 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.789 0.011 18531 14681 1 57 . 1 1 15 15 GLU H H 15 8.390 8.390 8.443 -0.053 18531 14682 1 57 . 1 1 16 16 THR N N 16 115.600 115.600 120.677 -5.077 18531 14683 1 57 . 1 1 16 16 THR HA H 16 4.730 4.730 4.680 0.050 18531 14684 1 57 . 1 1 16 16 THR CA C 16 60.600 60.600 61.449 -0.849 18531 14685 1 57 . 1 1 16 16 THR CB C 16 69.500 69.500 69.160 0.340 18531 14686 1 57 . 1 1 16 16 THR H H 16 8.820 8.820 8.974 -0.154 18531 14687 1 57 . 1 1 17 17 THR N N 17 111.800 111.800 117.168 -5.368 18531 14688 1 57 . 1 1 17 17 THR HA H 17 5.790 5.790 5.340 0.450 18531 14689 1 57 . 1 1 17 17 THR CA C 17 59.800 59.800 60.876 -1.076 18531 14690 1 57 . 1 1 17 17 THR CB C 17 73.100 73.100 71.025 2.075 18531 14691 1 57 . 1 1 17 17 THR H H 17 8.140 8.140 8.305 -0.165 18531 14692 1 57 . 1 1 18 18 THR N N 18 115.100 115.100 116.304 -1.204 18531 14693 1 57 . 1 1 18 18 THR HA H 18 4.640 4.640 4.604 0.036 18531 14694 1 57 . 1 1 18 18 THR CA C 18 61.900 61.900 61.036 0.864 18531 14695 1 57 . 1 1 18 18 THR CB C 18 70.000 70.000 69.954 0.046 18531 14696 1 57 . 1 1 18 18 THR H H 18 8.930 8.930 8.371 0.559 18531 14697 1 57 . 1 1 19 19 LYS N N 19 124.300 124.300 119.941 4.359 18531 14698 1 57 . 1 1 19 19 LYS HA H 19 5.330 5.330 5.418 -0.088 18531 14699 1 57 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.628 0.372 18531 14700 1 57 . 1 1 19 19 LYS CB C 19 33.800 33.800 35.691 -1.891 18531 14701 1 57 . 1 1 19 19 LYS H H 19 7.950 7.950 8.213 -0.263 18531 14702 1 57 . 1 1 20 20 ALA N N 20 124.600 124.600 123.731 0.869 18531 14703 1 57 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.652 0.128 18531 14704 1 57 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.907 -1.007 18531 14705 1 57 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.461 2.339 18531 14706 1 57 . 1 1 20 20 ALA H H 20 9.110 9.110 7.944 1.166 18531 14707 1 57 . 1 1 21 21 VAL N N 21 115.300 115.300 116.691 -1.391 18531 14708 1 57 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.098 0.012 18531 14709 1 57 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.661 -1.361 18531 14710 1 57 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.965 0.235 18531 14711 1 57 . 1 1 21 21 VAL H H 21 8.480 8.480 8.438 0.042 18531 14712 1 57 . 1 1 22 22 ASP N N 22 115.200 115.200 114.678 0.522 18531 14713 1 57 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.954 -0.244 18531 14714 1 57 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.695 -0.295 18531 14715 1 57 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.143 0.057 18531 14716 1 57 . 1 1 22 22 ASP H H 22 7.310 7.310 7.701 -0.391 18531 14717 1 57 . 1 1 23 23 ALA N N 23 121.000 121.000 122.414 -1.414 18531 14718 1 57 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.557 -0.217 18531 14719 1 57 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.896 0.004 18531 14720 1 57 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.330 -0.830 18531 14721 1 57 . 1 1 23 23 ALA H H 23 8.370 8.370 8.759 -0.389 18531 14722 1 57 . 1 1 24 24 GLU N N 24 118.900 118.900 119.245 -0.345 18531 14723 1 57 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.903 -0.043 18531 14724 1 57 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.478 0.222 18531 14725 1 57 . 1 1 24 24 GLU CB C 24 29.100 29.100 29.053 0.047 18531 14726 1 57 . 1 1 24 24 GLU H H 24 8.410 8.410 8.531 -0.121 18531 14727 1 57 . 1 1 25 25 THR N N 25 117.400 117.400 113.443 3.957 18531 14728 1 57 . 1 1 25 25 THR HA H 25 3.670 3.670 4.177 -0.507 18531 14729 1 57 . 1 1 25 25 THR CA C 25 66.800 66.800 64.123 2.677 18531 14730 1 57 . 1 1 25 25 THR CB C 25 68.000 68.000 68.911 -0.911 18531 14731 1 57 . 1 1 25 25 THR H H 25 8.380 8.380 7.680 0.700 18531 14732 1 57 . 1 1 26 26 ALA N N 26 125.100 125.100 124.699 0.401 18531 14733 1 57 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.760 -0.570 18531 14734 1 57 . 1 1 26 26 ALA CA C 26 55.000 55.000 55.157 -0.158 18531 14735 1 57 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.972 -0.672 18531 14736 1 57 . 1 1 26 26 ALA H H 26 7.220 7.220 8.165 -0.945 18531 14737 1 57 . 1 1 27 27 GLU N N 27 117.400 117.400 118.183 -0.783 18531 14738 1 57 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.949 -1.359 18531 14739 1 57 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.652 0.048 18531 14740 1 57 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.359 -0.159 18531 14741 1 57 . 1 1 27 27 GLU H H 27 8.370 8.370 8.223 0.147 18531 14742 1 57 . 1 1 28 28 LYS N N 28 116.300 116.300 118.263 -1.963 18531 14743 1 57 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.921 -0.251 18531 14744 1 57 . 1 1 28 28 LYS CA C 28 59.600 59.600 58.755 0.845 18531 14745 1 57 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.240 -0.040 18531 14746 1 57 . 1 1 28 28 LYS H H 28 7.170 7.170 7.708 -0.538 18531 14747 1 57 . 1 1 29 29 ALA N N 29 122.000 122.000 122.216 -0.216 18531 14748 1 57 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.934 0.156 18531 14749 1 57 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.351 0.349 18531 14750 1 57 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.051 -0.551 18531 14751 1 57 . 1 1 29 29 ALA H H 29 7.200 7.200 7.332 -0.132 18531 14752 1 57 . 1 1 30 30 PHE N N 30 119.600 119.600 116.166 3.434 18531 14753 1 57 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.384 0.396 18531 14754 1 57 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.746 -4.146 18531 14755 1 57 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.668 -1.268 18531 14756 1 57 . 1 1 30 30 PHE H H 30 8.610 8.610 7.348 1.262 18531 14757 1 57 . 1 1 31 31 LYS N N 31 122.800 122.800 118.989 3.811 18531 14758 1 57 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.282 -0.192 18531 14759 1 57 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.327 0.373 18531 14760 1 57 . 1 1 31 31 LYS CB C 31 31.600 31.600 32.014 -0.414 18531 14761 1 57 . 1 1 31 31 LYS H H 31 9.030 9.030 7.823 1.207 18531 14762 1 57 . 1 1 32 32 GLN N N 32 119.600 119.600 116.952 2.648 18531 14763 1 57 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.197 -0.167 18531 14764 1 57 . 1 1 32 32 GLN CA C 32 58.700 58.700 57.811 0.889 18531 14765 1 57 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.903 -0.803 18531 14766 1 57 . 1 1 32 32 GLN H H 32 7.510 7.510 7.554 -0.044 18531 14767 1 57 . 1 1 33 33 TYR N N 33 120.400 120.400 120.384 0.016 18531 14768 1 57 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.388 -0.138 18531 14769 1 57 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.711 1.089 18531 14770 1 57 . 1 1 33 33 TYR CB C 33 38.700 38.700 39.644 -0.944 18531 14771 1 57 . 1 1 33 33 TYR H H 33 8.080 8.080 7.994 0.086 18531 14772 1 57 . 1 1 34 34 ALA N N 34 122.300 122.300 120.645 1.655 18531 14773 1 57 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.871 -0.091 18531 14774 1 57 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.703 0.397 18531 14775 1 57 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.300 -0.600 18531 14776 1 57 . 1 1 34 34 ALA H H 34 9.210 9.210 8.123 1.087 18531 14777 1 57 . 1 1 35 35 ASN N N 35 117.700 117.700 115.597 2.103 18531 14778 1 57 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.511 -0.051 18531 14779 1 57 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.543 1.457 18531 14780 1 57 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.365 0.635 18531 14781 1 57 . 1 1 35 35 ASN H H 35 8.390 8.390 8.164 0.226 18531 14782 1 57 . 1 1 36 36 ASP N N 36 121.100 121.100 118.942 2.158 18531 14783 1 57 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.658 -0.298 18531 14784 1 57 . 1 1 36 36 ASP CA C 36 56.700 56.700 54.962 1.738 18531 14785 1 57 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.325 -1.325 18531 14786 1 57 . 1 1 36 36 ASP H H 36 8.830 8.830 8.021 0.809 18531 14787 1 57 . 1 1 37 37 ASN N N 37 115.200 115.200 117.012 -1.812 18531 14788 1 57 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.792 -0.182 18531 14789 1 57 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.525 1.175 18531 14790 1 57 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.654 1.346 18531 14791 1 57 . 1 1 37 37 ASN H H 37 7.390 7.390 7.635 -0.245 18531 14792 1 57 . 1 1 38 38 GLY N N 38 108.200 108.200 108.734 -0.534 18531 14793 1 57 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.233 0.167 18531 14794 1 57 . 1 1 38 38 GLY H H 38 7.800 7.800 7.749 0.051 18531 14795 1 57 . 1 1 39 39 VAL N N 39 120.800 120.800 119.301 1.499 18531 14796 1 57 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.256 -0.116 18531 14797 1 57 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.544 1.156 18531 14798 1 57 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.573 -0.273 18531 14799 1 57 . 1 1 39 39 VAL H H 39 8.120 8.120 7.807 0.313 18531 14800 1 57 . 1 1 40 40 ASP N N 40 128.000 128.000 125.951 2.049 18531 14801 1 57 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.840 0.050 18531 14802 1 57 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.705 -0.905 18531 14803 1 57 . 1 1 40 40 ASP CB C 40 43.100 43.100 42.754 0.346 18531 14804 1 57 . 1 1 40 40 ASP H H 40 8.770 8.770 8.128 0.642 18531 14805 1 57 . 1 1 41 41 GLY N N 41 107.100 107.100 109.080 -1.980 18531 14806 1 57 . 1 1 41 41 GLY CA C 41 45.400 45.400 44.804 0.596 18531 14807 1 57 . 1 1 41 41 GLY H H 41 7.910 7.910 7.866 0.044 18531 14808 1 57 . 1 1 42 42 VAL N N 42 120.300 120.300 119.181 1.119 18531 14809 1 57 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.174 0.206 18531 14810 1 57 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.839 0.261 18531 14811 1 57 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.629 -0.229 18531 14812 1 57 . 1 1 42 42 VAL H H 42 8.250 8.250 7.839 0.411 18531 14813 1 57 . 1 1 43 43 TRP N N 43 130.700 130.700 123.581 7.119 18531 14814 1 57 . 1 1 43 43 TRP HA H 43 5.360 5.360 4.955 0.405 18531 14815 1 57 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.975 1.625 18531 14816 1 57 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.002 0.198 18531 14817 1 57 . 1 1 43 43 TRP H H 43 9.360 9.360 8.634 0.726 18531 14818 1 57 . 1 1 44 44 THR N N 44 114.500 114.500 118.587 -4.087 18531 14819 1 57 . 1 1 44 44 THR HA H 44 4.830 4.830 4.733 0.097 18531 14820 1 57 . 1 1 44 44 THR CA C 44 60.300 60.300 61.296 -0.996 18531 14821 1 57 . 1 1 44 44 THR CB C 44 72.100 72.100 69.051 3.049 18531 14822 1 57 . 1 1 44 44 THR H H 44 9.400 9.400 8.769 0.631 18531 14823 1 57 . 1 1 45 45 TYR N N 45 120.100 120.100 126.996 -6.896 18531 14824 1 57 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.186 -0.216 18531 14825 1 57 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.685 2.315 18531 14826 1 57 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.371 1.229 18531 14827 1 57 . 1 1 45 45 TYR H H 45 8.580 8.580 8.282 0.298 18531 14828 1 57 . 1 1 46 46 ASP N N 46 128.300 128.300 123.186 5.114 18531 14829 1 57 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.374 0.206 18531 14830 1 57 . 1 1 46 46 ASP CA C 46 51.900 51.900 52.171 -0.271 18531 14831 1 57 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.962 -0.862 18531 14832 1 57 . 1 1 46 46 ASP H H 46 7.580 7.580 8.537 -0.957 18531 14833 1 57 . 1 1 47 47 ASP N N 47 124.800 124.800 125.351 -0.551 18531 14834 1 57 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.761 -0.651 18531 14835 1 57 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.053 1.447 18531 14836 1 57 . 1 1 47 47 ASP CB C 47 42.100 42.100 41.022 1.078 18531 14837 1 57 . 1 1 47 47 ASP H H 47 8.590 8.590 8.402 0.188 18531 14838 1 57 . 1 1 48 48 ALA N N 48 119.700 119.700 122.085 -2.385 18531 14839 1 57 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.480 -0.390 18531 14840 1 57 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.858 1.142 18531 14841 1 57 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.137 -1.837 18531 14842 1 57 . 1 1 48 48 ALA H H 48 8.340 8.340 7.946 0.394 18531 14843 1 57 . 1 1 49 49 THR N N 49 103.200 103.200 113.993 -10.793 18531 14844 1 57 . 1 1 49 49 THR HA H 49 4.390 4.390 4.501 -0.111 18531 14845 1 57 . 1 1 49 49 THR CA C 49 60.200 60.200 60.928 -0.728 18531 14846 1 57 . 1 1 49 49 THR CB C 49 70.000 70.000 69.240 0.760 18531 14847 1 57 . 1 1 49 49 THR H H 49 7.000 7.000 7.967 -0.967 18531 14848 1 57 . 1 1 50 50 LYS N N 50 123.100 123.100 118.088 5.012 18531 14849 1 57 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.389 -0.199 18531 14850 1 57 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.499 -0.899 18531 14851 1 57 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.555 -0.955 18531 14852 1 57 . 1 1 50 50 LYS H H 50 7.860 7.860 8.193 -0.333 18531 14853 1 57 . 1 1 51 51 THR N N 51 111.200 111.200 115.188 -3.988 18531 14854 1 57 . 1 1 51 51 THR HA H 51 5.490 5.490 4.863 0.627 18531 14855 1 57 . 1 1 51 51 THR CA C 51 62.300 62.300 62.202 0.098 18531 14856 1 57 . 1 1 51 51 THR CB C 51 72.100 72.100 72.504 -0.404 18531 14857 1 57 . 1 1 51 51 THR H H 51 7.390 7.390 7.742 -0.352 18531 14858 1 57 . 1 1 52 52 PHE N N 52 131.000 131.000 125.125 5.875 18531 14859 1 57 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.120 0.510 18531 14860 1 57 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.457 0.843 18531 14861 1 57 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.921 0.679 18531 14862 1 57 . 1 1 52 52 PHE H H 52 10.390 10.390 9.445 0.945 18531 14863 1 57 . 1 1 53 53 THR N N 53 117.400 117.400 120.583 -3.183 18531 14864 1 57 . 1 1 53 53 THR HA H 53 5.270 5.270 4.688 0.582 18531 14865 1 57 . 1 1 53 53 THR CA C 53 61.200 61.200 61.880 -0.680 18531 14866 1 57 . 1 1 53 53 THR CB C 53 71.000 71.000 70.566 0.434 18531 14867 1 57 . 1 1 53 53 THR H H 53 9.180 9.180 9.221 -0.041 18531 14868 1 57 . 1 1 54 54 VAL N N 54 123.000 123.000 126.589 -3.589 18531 14869 1 57 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.569 -0.109 18531 14870 1 57 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.270 -1.170 18531 14871 1 57 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.930 -1.630 18531 14872 1 57 . 1 1 54 54 VAL H H 54 8.280 8.280 7.856 0.424 18531 14873 1 57 . 1 1 55 55 THR N N 55 123.900 123.900 124.766 -0.866 18531 14874 1 57 . 1 1 55 55 THR HA H 55 4.700 4.700 4.541 0.159 18531 14875 1 57 . 1 1 55 55 THR CA C 55 61.200 61.200 61.677 -0.477 18531 14876 1 57 . 1 1 55 55 THR CB C 55 70.700 70.700 69.860 0.840 18531 14877 1 57 . 1 1 55 55 THR H H 55 8.320 8.320 8.499 -0.179 18531 14878 1 58 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.792 0.258 18531 14879 1 58 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.654 -0.054 18531 14880 1 58 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.784 -1.084 18531 14881 1 58 . 1 1 2 2 GLN H H 2 8.410 8.410 7.908 0.502 18531 14882 1 58 . 1 1 3 3 TYR N N 3 124.000 124.000 123.145 0.855 18531 14883 1 58 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.939 0.421 18531 14884 1 58 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.668 0.432 18531 14885 1 58 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.308 1.292 18531 14886 1 58 . 1 1 3 3 TYR H H 3 9.070 9.070 8.755 0.315 18531 14887 1 58 . 1 1 4 4 LYS N N 4 122.500 122.500 122.075 0.425 18531 14888 1 58 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.659 0.561 18531 14889 1 58 . 1 1 4 4 LYS CA C 4 55.000 55.000 55.002 -0.002 18531 14890 1 58 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.465 0.534 18531 14891 1 58 . 1 1 4 4 LYS H H 4 9.100 9.100 8.503 0.597 18531 14892 1 58 . 1 1 5 5 LEU N N 5 126.400 126.400 128.520 -2.120 18531 14893 1 58 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.012 -0.042 18531 14894 1 58 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.306 -0.506 18531 14895 1 58 . 1 1 5 5 LEU CB C 5 42.600 42.600 43.399 -0.799 18531 14896 1 58 . 1 1 5 5 LEU H H 5 8.620 8.620 8.508 0.112 18531 14897 1 58 . 1 1 6 6 VAL N N 6 127.000 127.000 128.729 -1.729 18531 14898 1 58 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.268 -0.108 18531 14899 1 58 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.006 0.294 18531 14900 1 58 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.196 -0.496 18531 14901 1 58 . 1 1 6 6 VAL H H 6 9.190 9.190 9.031 0.159 18531 14902 1 58 . 1 1 7 7 ILE N N 7 125.400 125.400 127.383 -1.983 18531 14903 1 58 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.436 -0.346 18531 14904 1 58 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.376 0.324 18531 14905 1 58 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.841 -0.841 18531 14906 1 58 . 1 1 7 7 ILE H H 7 8.800 8.800 7.780 1.020 18531 14907 1 58 . 1 1 8 8 ASN N N 8 128.900 128.900 124.826 4.074 18531 14908 1 58 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.024 0.256 18531 14909 1 58 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.493 -1.693 18531 14910 1 58 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.538 -1.438 18531 14911 1 58 . 1 1 8 8 ASN H H 8 8.990 8.990 8.877 0.113 18531 14912 1 58 . 1 1 9 9 GLY N N 9 110.200 110.200 108.146 2.054 18531 14913 1 58 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.241 0.459 18531 14914 1 58 . 1 1 9 9 GLY H H 9 7.920 7.920 7.690 0.230 18531 14915 1 58 . 1 1 10 10 LYS N N 10 120.700 120.700 120.576 0.124 18531 14916 1 58 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.222 -0.162 18531 14917 1 58 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.362 0.838 18531 14918 1 58 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.812 0.088 18531 14919 1 58 . 1 1 10 10 LYS H H 10 9.520 9.520 8.560 0.960 18531 14920 1 58 . 1 1 11 11 THR N N 11 108.900 108.900 109.951 -1.051 18531 14921 1 58 . 1 1 11 11 THR HA H 11 4.360 4.360 4.318 0.042 18531 14922 1 58 . 1 1 11 11 THR CA C 11 62.000 62.000 62.249 -0.249 18531 14923 1 58 . 1 1 11 11 THR CB C 11 69.800 69.800 69.702 0.098 18531 14924 1 58 . 1 1 11 11 THR H H 11 8.790 8.790 7.914 0.876 18531 14925 1 58 . 1 1 12 12 LEU N N 12 125.700 125.700 124.374 1.326 18531 14926 1 58 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.427 0.013 18531 14927 1 58 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.773 0.227 18531 14928 1 58 . 1 1 12 12 LEU CB C 12 43.300 43.300 42.578 0.722 18531 14929 1 58 . 1 1 12 12 LEU H H 12 7.580 7.580 8.053 -0.473 18531 14930 1 58 . 1 1 13 13 LYS N N 13 123.500 123.500 123.609 -0.109 18531 14931 1 58 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.537 0.583 18531 14932 1 58 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.533 -1.633 18531 14933 1 58 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.620 -0.820 18531 14934 1 58 . 1 1 13 13 LYS H H 13 8.140 8.140 8.468 -0.328 18531 14935 1 58 . 1 1 14 14 GLY N N 14 109.100 109.100 109.729 -0.629 18531 14936 1 58 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.657 -0.457 18531 14937 1 58 . 1 1 14 14 GLY H H 14 8.340 8.340 8.514 -0.174 18531 14938 1 58 . 1 1 15 15 GLU N N 15 118.200 118.200 120.259 -2.059 18531 14939 1 58 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.185 0.415 18531 14940 1 58 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.492 -0.992 18531 14941 1 58 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.176 0.624 18531 14942 1 58 . 1 1 15 15 GLU H H 15 8.390 8.390 8.405 -0.015 18531 14943 1 58 . 1 1 16 16 THR N N 16 115.600 115.600 119.143 -3.543 18531 14944 1 58 . 1 1 16 16 THR HA H 16 4.730 4.730 4.686 0.044 18531 14945 1 58 . 1 1 16 16 THR CA C 16 60.600 60.600 61.106 -0.506 18531 14946 1 58 . 1 1 16 16 THR CB C 16 69.500 69.500 69.418 0.082 18531 14947 1 58 . 1 1 16 16 THR H H 16 8.820 8.820 8.818 0.002 18531 14948 1 58 . 1 1 17 17 THR N N 17 111.800 111.800 118.501 -6.701 18531 14949 1 58 . 1 1 17 17 THR HA H 17 5.790 5.790 5.050 0.740 18531 14950 1 58 . 1 1 17 17 THR CA C 17 59.800 59.800 60.674 -0.874 18531 14951 1 58 . 1 1 17 17 THR CB C 17 73.100 73.100 70.452 2.648 18531 14952 1 58 . 1 1 17 17 THR H H 17 8.140 8.140 8.616 -0.476 18531 14953 1 58 . 1 1 18 18 THR N N 18 115.100 115.100 117.854 -2.754 18531 14954 1 58 . 1 1 18 18 THR HA H 18 4.640 4.640 4.687 -0.047 18531 14955 1 58 . 1 1 18 18 THR CA C 18 61.900 61.900 61.218 0.682 18531 14956 1 58 . 1 1 18 18 THR CB C 18 70.000 70.000 70.701 -0.701 18531 14957 1 58 . 1 1 18 18 THR H H 18 8.930 8.930 8.941 -0.011 18531 14958 1 58 . 1 1 19 19 LYS N N 19 124.300 124.300 119.615 4.685 18531 14959 1 58 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.997 0.333 18531 14960 1 58 . 1 1 19 19 LYS CA C 19 55.000 55.000 54.940 0.060 18531 14961 1 58 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.845 -1.045 18531 14962 1 58 . 1 1 19 19 LYS H H 19 7.950 7.950 8.272 -0.322 18531 14963 1 58 . 1 1 20 20 ALA N N 20 124.600 124.600 124.034 0.566 18531 14964 1 58 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.648 0.132 18531 14965 1 58 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.802 -0.902 18531 14966 1 58 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.742 2.058 18531 14967 1 58 . 1 1 20 20 ALA H H 20 9.110 9.110 7.917 1.193 18531 14968 1 58 . 1 1 21 21 VAL N N 21 115.300 115.300 117.849 -2.549 18531 14969 1 58 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.956 0.154 18531 14970 1 58 . 1 1 21 21 VAL CA C 21 63.300 63.300 65.037 -1.737 18531 14971 1 58 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.607 0.593 18531 14972 1 58 . 1 1 21 21 VAL H H 21 8.480 8.480 8.458 0.022 18531 14973 1 58 . 1 1 22 22 ASP N N 22 115.200 115.200 113.089 2.111 18531 14974 1 58 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.936 -0.226 18531 14975 1 58 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.295 0.104 18531 14976 1 58 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.593 -0.393 18531 14977 1 58 . 1 1 22 22 ASP H H 22 7.310 7.310 7.584 -0.274 18531 14978 1 58 . 1 1 23 23 ALA N N 23 121.000 121.000 122.613 -1.613 18531 14979 1 58 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.168 0.172 18531 14980 1 58 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.272 -0.372 18531 14981 1 58 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.427 -0.927 18531 14982 1 58 . 1 1 23 23 ALA H H 23 8.370 8.370 8.687 -0.317 18531 14983 1 58 . 1 1 24 24 GLU N N 24 118.900 118.900 118.258 0.642 18531 14984 1 58 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.886 -0.026 18531 14985 1 58 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.256 0.444 18531 14986 1 58 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.922 0.178 18531 14987 1 58 . 1 1 24 24 GLU H H 24 8.410 8.410 8.619 -0.209 18531 14988 1 58 . 1 1 25 25 THR N N 25 117.400 117.400 114.601 2.799 18531 14989 1 58 . 1 1 25 25 THR HA H 25 3.670 3.670 4.062 -0.392 18531 14990 1 58 . 1 1 25 25 THR CA C 25 66.800 66.800 65.365 1.435 18531 14991 1 58 . 1 1 25 25 THR CB C 25 68.000 68.000 68.457 -0.457 18531 14992 1 58 . 1 1 25 25 THR H H 25 8.380 8.380 7.878 0.502 18531 14993 1 58 . 1 1 26 26 ALA N N 26 125.100 125.100 123.870 1.230 18531 14994 1 58 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.606 -0.416 18531 14995 1 58 . 1 1 26 26 ALA CA C 26 55.000 55.000 53.864 1.136 18531 14996 1 58 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.637 -0.337 18531 14997 1 58 . 1 1 26 26 ALA H H 26 7.220 7.220 7.200 0.020 18531 14998 1 58 . 1 1 27 27 GLU N N 27 117.400 117.400 119.441 -2.041 18531 14999 1 58 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.756 -1.166 18531 15000 1 58 . 1 1 27 27 GLU CA C 27 59.700 59.700 60.130 -0.430 18531 15001 1 58 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.299 -0.099 18531 15002 1 58 . 1 1 27 27 GLU H H 27 8.370 8.370 8.387 -0.017 18531 15003 1 58 . 1 1 28 28 LYS N N 28 116.300 116.300 119.170 -2.870 18531 15004 1 58 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.814 -0.144 18531 15005 1 58 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.468 0.132 18531 15006 1 58 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.138 0.062 18531 15007 1 58 . 1 1 28 28 LYS H H 28 7.170 7.170 7.518 -0.348 18531 15008 1 58 . 1 1 29 29 ALA N N 29 122.000 122.000 122.293 -0.293 18531 15009 1 58 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.995 0.095 18531 15010 1 58 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.865 -0.165 18531 15011 1 58 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.876 -0.376 18531 15012 1 58 . 1 1 29 29 ALA H H 29 7.200 7.200 7.165 0.035 18531 15013 1 58 . 1 1 30 30 PHE N N 30 119.600 119.600 117.290 2.310 18531 15014 1 58 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.282 0.498 18531 15015 1 58 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.335 -3.735 18531 15016 1 58 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.434 -1.034 18531 15017 1 58 . 1 1 30 30 PHE H H 30 8.610 8.610 8.044 0.566 18531 15018 1 58 . 1 1 31 31 LYS N N 31 122.800 122.800 118.747 4.053 18531 15019 1 58 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.114 -0.024 18531 15020 1 58 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.544 0.156 18531 15021 1 58 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.938 -0.338 18531 15022 1 58 . 1 1 31 31 LYS H H 31 9.030 9.030 8.452 0.578 18531 15023 1 58 . 1 1 32 32 GLN N N 32 119.600 119.600 119.105 0.495 18531 15024 1 58 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.008 0.022 18531 15025 1 58 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.089 -0.389 18531 15026 1 58 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.648 -0.548 18531 15027 1 58 . 1 1 32 32 GLN H H 32 7.510 7.510 8.529 -1.019 18531 15028 1 58 . 1 1 33 33 TYR N N 33 120.400 120.400 119.040 1.360 18531 15029 1 58 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.744 -0.494 18531 15030 1 58 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.471 2.329 18531 15031 1 58 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.508 0.192 18531 15032 1 58 . 1 1 33 33 TYR H H 33 8.080 8.080 7.931 0.149 18531 15033 1 58 . 1 1 34 34 ALA N N 34 122.300 122.300 122.909 -0.609 18531 15034 1 58 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.070 -0.290 18531 15035 1 58 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.074 1.026 18531 15036 1 58 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.588 -0.888 18531 15037 1 58 . 1 1 34 34 ALA H H 34 9.210 9.210 8.200 1.010 18531 15038 1 58 . 1 1 35 35 ASN N N 35 117.700 117.700 117.772 -0.072 18531 15039 1 58 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.470 -0.010 18531 15040 1 58 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.918 1.082 18531 15041 1 58 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.048 0.952 18531 15042 1 58 . 1 1 35 35 ASN H H 35 8.390 8.390 7.958 0.432 18531 15043 1 58 . 1 1 36 36 ASP N N 36 121.100 121.100 120.236 0.864 18531 15044 1 58 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.425 -0.065 18531 15045 1 58 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.742 -0.042 18531 15046 1 58 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.161 -0.161 18531 15047 1 58 . 1 1 36 36 ASP H H 36 8.830 8.830 7.962 0.868 18531 15048 1 58 . 1 1 37 37 ASN N N 37 115.200 115.200 114.781 0.419 18531 15049 1 58 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.753 -0.143 18531 15050 1 58 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.504 1.196 18531 15051 1 58 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.134 0.866 18531 15052 1 58 . 1 1 37 37 ASN H H 37 7.390 7.390 7.380 0.010 18531 15053 1 58 . 1 1 38 38 GLY N N 38 108.200 108.200 108.929 -0.729 18531 15054 1 58 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.118 0.282 18531 15055 1 58 . 1 1 38 38 GLY H H 38 7.800 7.800 8.087 -0.287 18531 15056 1 58 . 1 1 39 39 VAL N N 39 120.800 120.800 121.273 -0.473 18531 15057 1 58 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.273 -0.133 18531 15058 1 58 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.608 1.093 18531 15059 1 58 . 1 1 39 39 VAL CB C 39 33.300 33.300 33.062 0.238 18531 15060 1 58 . 1 1 39 39 VAL H H 39 8.120 8.120 8.079 0.041 18531 15061 1 58 . 1 1 40 40 ASP N N 40 128.000 128.000 126.522 1.478 18531 15062 1 58 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.882 0.008 18531 15063 1 58 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.162 -0.362 18531 15064 1 58 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.580 -0.479 18531 15065 1 58 . 1 1 40 40 ASP H H 40 8.770 8.770 8.266 0.504 18531 15066 1 58 . 1 1 41 41 GLY N N 41 107.100 107.100 109.161 -2.061 18531 15067 1 58 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.257 0.143 18531 15068 1 58 . 1 1 41 41 GLY H H 41 7.910 7.910 8.343 -0.433 18531 15069 1 58 . 1 1 42 42 VAL N N 42 120.300 120.300 120.193 0.107 18531 15070 1 58 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.563 -0.183 18531 15071 1 58 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.292 0.808 18531 15072 1 58 . 1 1 42 42 VAL CB C 42 33.400 33.400 34.046 -0.646 18531 15073 1 58 . 1 1 42 42 VAL H H 42 8.250 8.250 8.614 -0.364 18531 15074 1 58 . 1 1 43 43 TRP N N 43 130.700 130.700 121.947 8.753 18531 15075 1 58 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.363 -0.003 18531 15076 1 58 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.462 1.138 18531 15077 1 58 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.115 -0.915 18531 15078 1 58 . 1 1 43 43 TRP H H 43 9.360 9.360 8.713 0.647 18531 15079 1 58 . 1 1 44 44 THR N N 44 114.500 114.500 119.748 -5.248 18531 15080 1 58 . 1 1 44 44 THR HA H 44 4.830 4.830 4.578 0.252 18531 15081 1 58 . 1 1 44 44 THR CA C 44 60.300 60.300 61.645 -1.345 18531 15082 1 58 . 1 1 44 44 THR CB C 44 72.100 72.100 69.124 2.976 18531 15083 1 58 . 1 1 44 44 THR H H 44 9.400 9.400 8.610 0.790 18531 15084 1 58 . 1 1 45 45 TYR N N 45 120.100 120.100 128.843 -8.743 18531 15085 1 58 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.017 -0.047 18531 15086 1 58 . 1 1 45 45 TYR CA C 45 57.000 57.000 55.111 1.889 18531 15087 1 58 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.440 1.160 18531 15088 1 58 . 1 1 45 45 TYR H H 45 8.580 8.580 8.290 0.290 18531 15089 1 58 . 1 1 46 46 ASP N N 46 128.300 128.300 126.558 1.742 18531 15090 1 58 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.426 0.154 18531 15091 1 58 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.538 0.361 18531 15092 1 58 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.845 -0.745 18531 15093 1 58 . 1 1 46 46 ASP H H 46 7.580 7.580 7.851 -0.271 18531 15094 1 58 . 1 1 47 47 ASP N N 47 124.800 124.800 124.701 0.099 18531 15095 1 58 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.614 -0.504 18531 15096 1 58 . 1 1 47 47 ASP CA C 47 56.500 56.500 55.026 1.474 18531 15097 1 58 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.514 1.586 18531 15098 1 58 . 1 1 47 47 ASP H H 47 8.590 8.590 8.429 0.161 18531 15099 1 58 . 1 1 48 48 ALA N N 48 119.700 119.700 121.637 -1.937 18531 15100 1 58 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.416 -0.326 18531 15101 1 58 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.875 1.125 18531 15102 1 58 . 1 1 48 48 ALA CB C 48 18.300 18.300 20.170 -1.870 18531 15103 1 58 . 1 1 48 48 ALA H H 48 8.340 8.340 7.527 0.813 18531 15104 1 58 . 1 1 49 49 THR N N 49 103.200 103.200 110.696 -7.496 18531 15105 1 58 . 1 1 49 49 THR HA H 49 4.390 4.390 4.312 0.078 18531 15106 1 58 . 1 1 49 49 THR CA C 49 60.200 60.200 60.911 -0.711 18531 15107 1 58 . 1 1 49 49 THR CB C 49 70.000 70.000 68.612 1.388 18531 15108 1 58 . 1 1 49 49 THR H H 49 7.000 7.000 8.397 -1.397 18531 15109 1 58 . 1 1 50 50 LYS N N 50 123.100 123.100 117.609 5.491 18531 15110 1 58 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.383 -0.193 18531 15111 1 58 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.436 -0.836 18531 15112 1 58 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.334 -0.734 18531 15113 1 58 . 1 1 50 50 LYS H H 50 7.860 7.860 7.936 -0.076 18531 15114 1 58 . 1 1 51 51 THR N N 51 111.200 111.200 115.715 -4.515 18531 15115 1 58 . 1 1 51 51 THR HA H 51 5.490 5.490 4.682 0.808 18531 15116 1 58 . 1 1 51 51 THR CA C 51 62.300 62.300 62.856 -0.556 18531 15117 1 58 . 1 1 51 51 THR CB C 51 72.100 72.100 71.158 0.942 18531 15118 1 58 . 1 1 51 51 THR H H 51 7.390 7.390 7.649 -0.259 18531 15119 1 58 . 1 1 52 52 PHE N N 52 131.000 131.000 128.264 2.736 18531 15120 1 58 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.222 0.408 18531 15121 1 58 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.618 0.682 18531 15122 1 58 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.343 2.257 18531 15123 1 58 . 1 1 52 52 PHE H H 52 10.390 10.390 9.018 1.372 18531 15124 1 58 . 1 1 53 53 THR N N 53 117.400 117.400 121.118 -3.718 18531 15125 1 58 . 1 1 53 53 THR HA H 53 5.270 5.270 5.192 0.078 18531 15126 1 58 . 1 1 53 53 THR CA C 53 61.200 61.200 61.284 -0.084 18531 15127 1 58 . 1 1 53 53 THR CB C 53 71.000 71.000 70.376 0.624 18531 15128 1 58 . 1 1 53 53 THR H H 53 9.180 9.180 8.651 0.529 18531 15129 1 58 . 1 1 54 54 VAL N N 54 123.000 123.000 127.089 -4.089 18531 15130 1 58 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.358 0.102 18531 15131 1 58 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.421 -2.321 18531 15132 1 58 . 1 1 54 54 VAL CB C 54 32.300 32.300 32.798 -0.499 18531 15133 1 58 . 1 1 54 54 VAL H H 54 8.280 8.280 8.876 -0.596 18531 15134 1 58 . 1 1 55 55 THR N N 55 123.900 123.900 123.795 0.105 18531 15135 1 58 . 1 1 55 55 THR HA H 55 4.700 4.700 4.424 0.276 18531 15136 1 58 . 1 1 55 55 THR CA C 55 61.200 61.200 62.123 -0.923 18531 15137 1 58 . 1 1 55 55 THR CB C 55 70.700 70.700 69.426 1.274 18531 15138 1 58 . 1 1 55 55 THR H H 55 8.320 8.320 8.566 -0.246 18531 15139 1 59 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.615 0.435 18531 15140 1 59 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.594 0.005 18531 15141 1 59 . 1 1 2 2 GLN CB C 2 30.700 30.700 31.652 -0.952 18531 15142 1 59 . 1 1 2 2 GLN H H 2 8.410 8.410 7.925 0.485 18531 15143 1 59 . 1 1 3 3 TYR N N 3 124.000 124.000 122.257 1.743 18531 15144 1 59 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.356 0.004 18531 15145 1 59 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.172 0.928 18531 15146 1 59 . 1 1 3 3 TYR CB C 3 43.600 43.600 42.539 1.061 18531 15147 1 59 . 1 1 3 3 TYR H H 3 9.070 9.070 8.975 0.095 18531 15148 1 59 . 1 1 4 4 LYS N N 4 122.500 122.500 118.713 3.787 18531 15149 1 59 . 1 1 4 4 LYS HA H 4 5.220 5.220 4.830 0.390 18531 15150 1 59 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.653 0.347 18531 15151 1 59 . 1 1 4 4 LYS CB C 4 36.000 36.000 37.196 -1.196 18531 15152 1 59 . 1 1 4 4 LYS H H 4 9.100 9.100 8.846 0.254 18531 15153 1 59 . 1 1 5 5 LEU N N 5 126.400 126.400 122.966 3.434 18531 15154 1 59 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.628 0.342 18531 15155 1 59 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.483 -0.683 18531 15156 1 59 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.221 -1.621 18531 15157 1 59 . 1 1 5 5 LEU H H 5 8.620 8.620 8.191 0.429 18531 15158 1 59 . 1 1 6 6 VAL N N 6 127.000 127.000 127.869 -0.869 18531 15159 1 59 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.135 0.025 18531 15160 1 59 . 1 1 6 6 VAL CA C 6 62.300 62.300 62.530 -0.230 18531 15161 1 59 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.437 0.263 18531 15162 1 59 . 1 1 6 6 VAL H H 6 9.190 9.190 8.315 0.875 18531 15163 1 59 . 1 1 7 7 ILE N N 7 125.400 125.400 128.916 -3.516 18531 15164 1 59 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.305 -0.215 18531 15165 1 59 . 1 1 7 7 ILE CA C 7 60.700 60.700 61.012 -0.312 18531 15166 1 59 . 1 1 7 7 ILE CB C 7 39.000 39.000 36.979 2.021 18531 15167 1 59 . 1 1 7 7 ILE H H 7 8.800 8.800 8.778 0.022 18531 15168 1 59 . 1 1 8 8 ASN N N 8 128.900 128.900 125.651 3.249 18531 15169 1 59 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.948 0.332 18531 15170 1 59 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.567 -1.767 18531 15171 1 59 . 1 1 8 8 ASN CB C 8 38.100 38.100 38.694 -0.594 18531 15172 1 59 . 1 1 8 8 ASN H H 8 8.990 8.990 7.970 1.020 18531 15173 1 59 . 1 1 9 9 GLY N N 9 110.200 110.200 108.418 1.782 18531 15174 1 59 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.662 0.038 18531 15175 1 59 . 1 1 9 9 GLY H H 9 7.920 7.920 7.547 0.373 18531 15176 1 59 . 1 1 10 10 LYS N N 10 120.700 120.700 120.316 0.384 18531 15177 1 59 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.288 -0.228 18531 15178 1 59 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.107 1.093 18531 15179 1 59 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.248 -0.348 18531 15180 1 59 . 1 1 10 10 LYS H H 10 9.520 9.520 8.557 0.963 18531 15181 1 59 . 1 1 11 11 THR N N 11 108.900 108.900 113.127 -4.227 18531 15182 1 59 . 1 1 11 11 THR HA H 11 4.360 4.360 4.470 -0.110 18531 15183 1 59 . 1 1 11 11 THR CA C 11 62.000 62.000 61.615 0.385 18531 15184 1 59 . 1 1 11 11 THR CB C 11 69.800 69.800 69.323 0.477 18531 15185 1 59 . 1 1 11 11 THR H H 11 8.790 8.790 8.226 0.564 18531 15186 1 59 . 1 1 12 12 LEU N N 12 125.700 125.700 124.075 1.625 18531 15187 1 59 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.576 -0.136 18531 15188 1 59 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.032 -0.032 18531 15189 1 59 . 1 1 12 12 LEU CB C 12 43.300 43.300 44.174 -0.874 18531 15190 1 59 . 1 1 12 12 LEU H H 12 7.580 7.580 7.643 -0.063 18531 15191 1 59 . 1 1 13 13 LYS N N 13 123.500 123.500 123.471 0.029 18531 15192 1 59 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.645 -0.525 18531 15193 1 59 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.411 -0.511 18531 15194 1 59 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.546 -0.746 18531 15195 1 59 . 1 1 13 13 LYS H H 13 8.140 8.140 8.326 -0.186 18531 15196 1 59 . 1 1 14 14 GLY N N 14 109.100 109.100 109.401 -0.301 18531 15197 1 59 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.458 -0.258 18531 15198 1 59 . 1 1 14 14 GLY H H 14 8.340 8.340 8.195 0.145 18531 15199 1 59 . 1 1 15 15 GLU N N 15 118.200 118.200 120.541 -2.341 18531 15200 1 59 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.116 0.484 18531 15201 1 59 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.224 -0.724 18531 15202 1 59 . 1 1 15 15 GLU CB C 15 33.800 33.800 32.880 0.920 18531 15203 1 59 . 1 1 15 15 GLU H H 15 8.390 8.390 8.495 -0.105 18531 15204 1 59 . 1 1 16 16 THR N N 16 115.600 115.600 118.965 -3.365 18531 15205 1 59 . 1 1 16 16 THR HA H 16 4.730 4.730 4.589 0.141 18531 15206 1 59 . 1 1 16 16 THR CA C 16 60.600 60.600 60.909 -0.309 18531 15207 1 59 . 1 1 16 16 THR CB C 16 69.500 69.500 69.414 0.086 18531 15208 1 59 . 1 1 16 16 THR H H 16 8.820 8.820 8.429 0.391 18531 15209 1 59 . 1 1 17 17 THR N N 17 111.800 111.800 117.489 -5.689 18531 15210 1 59 . 1 1 17 17 THR HA H 17 5.790 5.790 5.035 0.755 18531 15211 1 59 . 1 1 17 17 THR CA C 17 59.800 59.800 60.400 -0.600 18531 15212 1 59 . 1 1 17 17 THR CB C 17 73.100 73.100 70.507 2.593 18531 15213 1 59 . 1 1 17 17 THR H H 17 8.140 8.140 8.308 -0.168 18531 15214 1 59 . 1 1 18 18 THR N N 18 115.100 115.100 120.377 -5.277 18531 15215 1 59 . 1 1 18 18 THR HA H 18 4.640 4.640 4.688 -0.048 18531 15216 1 59 . 1 1 18 18 THR CA C 18 61.900 61.900 61.683 0.217 18531 15217 1 59 . 1 1 18 18 THR CB C 18 70.000 70.000 71.603 -1.603 18531 15218 1 59 . 1 1 18 18 THR H H 18 8.930 8.930 8.471 0.459 18531 15219 1 59 . 1 1 19 19 LYS N N 19 124.300 124.300 121.993 2.307 18531 15220 1 59 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.699 0.631 18531 15221 1 59 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.570 -0.570 18531 15222 1 59 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.054 -0.254 18531 15223 1 59 . 1 1 19 19 LYS H H 19 7.950 7.950 8.444 -0.494 18531 15224 1 59 . 1 1 20 20 ALA N N 20 124.600 124.600 124.001 0.599 18531 15225 1 59 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.591 0.189 18531 15226 1 59 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.966 -1.066 18531 15227 1 59 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.455 2.345 18531 15228 1 59 . 1 1 20 20 ALA H H 20 9.110 9.110 8.171 0.939 18531 15229 1 59 . 1 1 21 21 VAL N N 21 115.300 115.300 118.836 -3.536 18531 15230 1 59 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.918 0.192 18531 15231 1 59 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.877 -1.577 18531 15232 1 59 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.837 0.363 18531 15233 1 59 . 1 1 21 21 VAL H H 21 8.480 8.480 8.448 0.032 18531 15234 1 59 . 1 1 22 22 ASP N N 22 115.200 115.200 113.432 1.768 18531 15235 1 59 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.953 -0.243 18531 15236 1 59 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.529 -0.129 18531 15237 1 59 . 1 1 22 22 ASP CB C 22 42.200 42.200 41.966 0.234 18531 15238 1 59 . 1 1 22 22 ASP H H 22 7.310 7.310 7.656 -0.346 18531 15239 1 59 . 1 1 23 23 ALA N N 23 121.000 121.000 122.099 -1.099 18531 15240 1 59 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.644 -0.304 18531 15241 1 59 . 1 1 23 23 ALA CA C 23 54.900 54.900 54.920 -0.020 18531 15242 1 59 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.372 -0.872 18531 15243 1 59 . 1 1 23 23 ALA H H 23 8.370 8.370 8.886 -0.516 18531 15244 1 59 . 1 1 24 24 GLU N N 24 118.900 118.900 117.815 1.085 18531 15245 1 59 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.848 0.012 18531 15246 1 59 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.436 0.264 18531 15247 1 59 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.906 0.194 18531 15248 1 59 . 1 1 24 24 GLU H H 24 8.410 8.410 8.362 0.048 18531 15249 1 59 . 1 1 25 25 THR N N 25 117.400 117.400 113.285 4.115 18531 15250 1 59 . 1 1 25 25 THR HA H 25 3.670 3.670 4.171 -0.501 18531 15251 1 59 . 1 1 25 25 THR CA C 25 66.800 66.800 64.278 2.522 18531 15252 1 59 . 1 1 25 25 THR CB C 25 68.000 68.000 68.867 -0.867 18531 15253 1 59 . 1 1 25 25 THR H H 25 8.380 8.380 8.105 0.275 18531 15254 1 59 . 1 1 26 26 ALA N N 26 125.100 125.100 124.664 0.436 18531 15255 1 59 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.563 -0.373 18531 15256 1 59 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.700 0.300 18531 15257 1 59 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.814 -0.514 18531 15258 1 59 . 1 1 26 26 ALA H H 26 7.220 7.220 7.834 -0.614 18531 15259 1 59 . 1 1 27 27 GLU N N 27 117.400 117.400 119.156 -1.756 18531 15260 1 59 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.394 -0.804 18531 15261 1 59 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.870 -0.170 18531 15262 1 59 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.390 -0.190 18531 15263 1 59 . 1 1 27 27 GLU H H 27 8.370 8.370 8.460 -0.090 18531 15264 1 59 . 1 1 28 28 LYS N N 28 116.300 116.300 118.668 -2.368 18531 15265 1 59 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.770 -0.100 18531 15266 1 59 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.166 0.434 18531 15267 1 59 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.771 0.429 18531 15268 1 59 . 1 1 28 28 LYS H H 28 7.170 7.170 7.577 -0.407 18531 15269 1 59 . 1 1 29 29 ALA N N 29 122.000 122.000 122.419 -0.419 18531 15270 1 59 . 1 1 29 29 ALA HA H 29 4.090 4.090 3.982 0.108 18531 15271 1 59 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.772 -0.072 18531 15272 1 59 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.848 -0.348 18531 15273 1 59 . 1 1 29 29 ALA H H 29 7.200 7.200 7.113 0.087 18531 15274 1 59 . 1 1 30 30 PHE N N 30 119.600 119.600 116.482 3.118 18531 15275 1 59 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.219 0.561 18531 15276 1 59 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.665 -4.065 18531 15277 1 59 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.196 -0.796 18531 15278 1 59 . 1 1 30 30 PHE H H 30 8.610 8.610 7.875 0.735 18531 15279 1 59 . 1 1 31 31 LYS N N 31 122.800 122.800 117.595 5.205 18531 15280 1 59 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.936 0.154 18531 15281 1 59 . 1 1 31 31 LYS CA C 31 59.700 59.700 58.945 0.755 18531 15282 1 59 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.864 -0.264 18531 15283 1 59 . 1 1 31 31 LYS H H 31 9.030 9.030 8.244 0.786 18531 15284 1 59 . 1 1 32 32 GLN N N 32 119.600 119.600 119.632 -0.032 18531 15285 1 59 . 1 1 32 32 GLN HA H 32 4.030 4.030 3.970 0.060 18531 15286 1 59 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.139 -0.439 18531 15287 1 59 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.492 -0.392 18531 15288 1 59 . 1 1 32 32 GLN H H 32 7.510 7.510 8.291 -0.781 18531 15289 1 59 . 1 1 33 33 TYR N N 33 120.400 120.400 118.877 1.523 18531 15290 1 59 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.304 -0.054 18531 15291 1 59 . 1 1 33 33 TYR CA C 33 61.800 61.800 59.609 2.191 18531 15292 1 59 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.551 0.149 18531 15293 1 59 . 1 1 33 33 TYR H H 33 8.080 8.080 7.871 0.209 18531 15294 1 59 . 1 1 34 34 ALA N N 34 122.300 122.300 123.436 -1.136 18531 15295 1 59 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.091 -0.311 18531 15296 1 59 . 1 1 34 34 ALA CA C 34 56.100 56.100 54.497 1.603 18531 15297 1 59 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.849 -1.149 18531 15298 1 59 . 1 1 34 34 ALA H H 34 9.210 9.210 8.165 1.045 18531 15299 1 59 . 1 1 35 35 ASN N N 35 117.700 117.700 117.906 -0.206 18531 15300 1 59 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.459 0.001 18531 15301 1 59 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.765 1.235 18531 15302 1 59 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.133 0.867 18531 15303 1 59 . 1 1 35 35 ASN H H 35 8.390 8.390 8.042 0.348 18531 15304 1 59 . 1 1 36 36 ASP N N 36 121.100 121.100 119.593 1.507 18531 15305 1 59 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.533 -0.173 18531 15306 1 59 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.463 0.237 18531 15307 1 59 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.148 -1.148 18531 15308 1 59 . 1 1 36 36 ASP H H 36 8.830 8.830 7.888 0.942 18531 15309 1 59 . 1 1 37 37 ASN N N 37 115.200 115.200 117.273 -2.073 18531 15310 1 59 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.868 -0.258 18531 15311 1 59 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.519 1.181 18531 15312 1 59 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.332 0.668 18531 15313 1 59 . 1 1 37 37 ASN H H 37 7.390 7.390 7.760 -0.370 18531 15314 1 59 . 1 1 38 38 GLY N N 38 108.200 108.200 107.926 0.274 18531 15315 1 59 . 1 1 38 38 GLY CA C 38 46.400 46.400 44.865 1.535 18531 15316 1 59 . 1 1 38 38 GLY H H 38 7.800 7.800 7.384 0.416 18531 15317 1 59 . 1 1 39 39 VAL N N 39 120.800 120.800 117.325 3.475 18531 15318 1 59 . 1 1 39 39 VAL HA H 39 4.140 4.140 3.829 0.311 18531 15319 1 59 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.436 -0.736 18531 15320 1 59 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.167 1.133 18531 15321 1 59 . 1 1 39 39 VAL H H 39 8.120 8.120 8.396 -0.276 18531 15322 1 59 . 1 1 40 40 ASP N N 40 128.000 128.000 124.218 3.782 18531 15323 1 59 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.900 -0.010 18531 15324 1 59 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.791 -0.991 18531 15325 1 59 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.387 -0.287 18531 15326 1 59 . 1 1 40 40 ASP H H 40 8.770 8.770 8.284 0.486 18531 15327 1 59 . 1 1 41 41 GLY N N 41 107.100 107.100 111.239 -4.139 18531 15328 1 59 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.516 -0.116 18531 15329 1 59 . 1 1 41 41 GLY H H 41 7.910 7.910 8.361 -0.451 18531 15330 1 59 . 1 1 42 42 VAL N N 42 120.300 120.300 118.330 1.970 18531 15331 1 59 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.466 -0.086 18531 15332 1 59 . 1 1 42 42 VAL CA C 42 62.100 62.100 60.938 1.162 18531 15333 1 59 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.165 0.235 18531 15334 1 59 . 1 1 42 42 VAL H H 42 8.250 8.250 8.026 0.224 18531 15335 1 59 . 1 1 43 43 TRP N N 43 130.700 130.700 126.360 4.340 18531 15336 1 59 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.174 0.186 18531 15337 1 59 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.990 1.610 18531 15338 1 59 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.929 -0.729 18531 15339 1 59 . 1 1 43 43 TRP H H 43 9.360 9.360 8.464 0.896 18531 15340 1 59 . 1 1 44 44 THR N N 44 114.500 114.500 116.157 -1.657 18531 15341 1 59 . 1 1 44 44 THR HA H 44 4.830 4.830 4.592 0.238 18531 15342 1 59 . 1 1 44 44 THR CA C 44 60.300 60.300 61.021 -0.721 18531 15343 1 59 . 1 1 44 44 THR CB C 44 72.100 72.100 70.856 1.244 18531 15344 1 59 . 1 1 44 44 THR H H 44 9.400 9.400 8.300 1.100 18531 15345 1 59 . 1 1 45 45 TYR N N 45 120.100 120.100 121.312 -1.212 18531 15346 1 59 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.720 0.250 18531 15347 1 59 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.986 0.014 18531 15348 1 59 . 1 1 45 45 TYR CB C 45 41.600 41.600 41.757 -0.157 18531 15349 1 59 . 1 1 45 45 TYR H H 45 8.580 8.580 8.211 0.369 18531 15350 1 59 . 1 1 46 46 ASP N N 46 128.300 128.300 125.168 3.132 18531 15351 1 59 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.441 0.139 18531 15352 1 59 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.770 0.130 18531 15353 1 59 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.479 -0.379 18531 15354 1 59 . 1 1 46 46 ASP H H 46 7.580 7.580 8.329 -0.749 18531 15355 1 59 . 1 1 47 47 ASP N N 47 124.800 124.800 124.244 0.556 18531 15356 1 59 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.401 -0.291 18531 15357 1 59 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.879 1.621 18531 15358 1 59 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.225 1.875 18531 15359 1 59 . 1 1 47 47 ASP H H 47 8.590 8.590 8.359 0.231 18531 15360 1 59 . 1 1 48 48 ALA N N 48 119.700 119.700 121.919 -2.219 18531 15361 1 59 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.391 -0.301 18531 15362 1 59 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.980 1.020 18531 15363 1 59 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.753 -1.453 18531 15364 1 59 . 1 1 48 48 ALA H H 48 8.340 8.340 7.854 0.486 18531 15365 1 59 . 1 1 49 49 THR N N 49 103.200 103.200 111.110 -7.910 18531 15366 1 59 . 1 1 49 49 THR HA H 49 4.390 4.390 4.382 0.008 18531 15367 1 59 . 1 1 49 49 THR CA C 49 60.200 60.200 60.493 -0.293 18531 15368 1 59 . 1 1 49 49 THR CB C 49 70.000 70.000 68.908 1.092 18531 15369 1 59 . 1 1 49 49 THR H H 49 7.000 7.000 8.271 -1.271 18531 15370 1 59 . 1 1 50 50 LYS N N 50 123.100 123.100 117.655 5.445 18531 15371 1 59 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.249 -0.059 18531 15372 1 59 . 1 1 50 50 LYS CA C 50 56.600 56.600 57.373 -0.773 18531 15373 1 59 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.233 -0.633 18531 15374 1 59 . 1 1 50 50 LYS H H 50 7.860 7.860 8.188 -0.328 18531 15375 1 59 . 1 1 51 51 THR N N 51 111.200 111.200 113.550 -2.350 18531 15376 1 59 . 1 1 51 51 THR HA H 51 5.490 5.490 4.915 0.575 18531 15377 1 59 . 1 1 51 51 THR CA C 51 62.300 62.300 62.431 -0.131 18531 15378 1 59 . 1 1 51 51 THR CB C 51 72.100 72.100 72.010 0.090 18531 15379 1 59 . 1 1 51 51 THR H H 51 7.390 7.390 7.517 -0.127 18531 15380 1 59 . 1 1 52 52 PHE N N 52 131.000 131.000 122.885 8.115 18531 15381 1 59 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.070 0.560 18531 15382 1 59 . 1 1 52 52 PHE CA C 52 57.300 57.300 59.063 -1.763 18531 15383 1 59 . 1 1 52 52 PHE CB C 52 42.600 42.600 42.000 0.600 18531 15384 1 59 . 1 1 52 52 PHE H H 52 10.390 10.390 8.785 1.605 18531 15385 1 59 . 1 1 53 53 THR N N 53 117.400 117.400 113.135 4.265 18531 15386 1 59 . 1 1 53 53 THR HA H 53 5.270 5.270 3.982 1.288 18531 15387 1 59 . 1 1 53 53 THR CA C 53 61.200 61.200 63.820 -2.620 18531 15388 1 59 . 1 1 53 53 THR CB C 53 71.000 71.000 68.570 2.430 18531 15389 1 59 . 1 1 53 53 THR H H 53 9.180 9.180 7.887 1.293 18531 15390 1 59 . 1 1 54 54 VAL N N 54 123.000 123.000 125.095 -2.095 18531 15391 1 59 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.096 0.364 18531 15392 1 59 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.629 -1.529 18531 15393 1 59 . 1 1 54 54 VAL CB C 54 32.300 32.300 34.394 -2.094 18531 15394 1 59 . 1 1 54 54 VAL H H 54 8.280 8.280 8.784 -0.504 18531 15395 1 59 . 1 1 55 55 THR N N 55 123.900 123.900 123.683 0.217 18531 15396 1 59 . 1 1 55 55 THR HA H 55 4.700 4.700 4.561 0.139 18531 15397 1 59 . 1 1 55 55 THR CA C 55 61.200 61.200 61.176 0.024 18531 15398 1 59 . 1 1 55 55 THR CB C 55 70.700 70.700 70.745 -0.045 18531 15399 1 59 . 1 1 55 55 THR H H 55 8.320 8.320 8.433 -0.113 18531 15400 1 60 . 1 1 2 2 GLN HA H 2 5.050 5.050 4.859 0.191 18531 15401 1 60 . 1 1 2 2 GLN CA C 2 55.600 55.600 54.415 1.185 18531 15402 1 60 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.040 0.660 18531 15403 1 60 . 1 1 2 2 GLN H H 2 8.410 8.410 8.245 0.165 18531 15404 1 60 . 1 1 3 3 TYR N N 3 124.000 124.000 122.775 1.225 18531 15405 1 60 . 1 1 3 3 TYR HA H 3 5.360 5.360 4.951 0.409 18531 15406 1 60 . 1 1 3 3 TYR CA C 3 57.100 57.100 55.794 1.306 18531 15407 1 60 . 1 1 3 3 TYR CB C 3 43.600 43.600 40.391 3.209 18531 15408 1 60 . 1 1 3 3 TYR H H 3 9.070 9.070 7.725 1.345 18531 15409 1 60 . 1 1 4 4 LYS N N 4 122.500 122.500 119.282 3.218 18531 15410 1 60 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.254 -0.034 18531 15411 1 60 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.317 0.683 18531 15412 1 60 . 1 1 4 4 LYS CB C 4 36.000 36.000 36.548 -0.548 18531 15413 1 60 . 1 1 4 4 LYS H H 4 9.100 9.100 8.283 0.817 18531 15414 1 60 . 1 1 5 5 LEU N N 5 126.400 126.400 125.312 1.088 18531 15415 1 60 . 1 1 5 5 LEU HA H 5 4.970 4.970 5.085 -0.115 18531 15416 1 60 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.559 -0.759 18531 15417 1 60 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.131 -1.531 18531 15418 1 60 . 1 1 5 5 LEU H H 5 8.620 8.620 8.283 0.337 18531 15419 1 60 . 1 1 6 6 VAL N N 6 127.000 127.000 127.950 -0.950 18531 15420 1 60 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.233 -0.073 18531 15421 1 60 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.709 0.591 18531 15422 1 60 . 1 1 6 6 VAL CB C 6 32.700 32.700 32.109 0.591 18531 15423 1 60 . 1 1 6 6 VAL H H 6 9.190 9.190 9.156 0.034 18531 15424 1 60 . 1 1 7 7 ILE N N 7 125.400 125.400 128.313 -2.913 18531 15425 1 60 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.407 -0.317 18531 15426 1 60 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.637 0.063 18531 15427 1 60 . 1 1 7 7 ILE CB C 7 39.000 39.000 39.724 -0.724 18531 15428 1 60 . 1 1 7 7 ILE H H 7 8.800 8.800 8.162 0.638 18531 15429 1 60 . 1 1 8 8 ASN N N 8 128.900 128.900 126.175 2.725 18531 15430 1 60 . 1 1 8 8 ASN HA H 8 5.280 5.280 5.058 0.222 18531 15431 1 60 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.413 -1.613 18531 15432 1 60 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.700 -1.600 18531 15433 1 60 . 1 1 8 8 ASN H H 8 8.990 8.990 8.992 -0.002 18531 15434 1 60 . 1 1 9 9 GLY N N 9 110.200 110.200 109.257 0.943 18531 15435 1 60 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.420 0.280 18531 15436 1 60 . 1 1 9 9 GLY H H 9 7.920 7.920 7.875 0.045 18531 15437 1 60 . 1 1 10 10 LYS N N 10 120.700 120.700 119.709 0.991 18531 15438 1 60 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.267 -0.207 18531 15439 1 60 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.052 1.148 18531 15440 1 60 . 1 1 10 10 LYS CB C 10 32.900 32.900 33.123 -0.223 18531 15441 1 60 . 1 1 10 10 LYS H H 10 9.520 9.520 8.208 1.312 18531 15442 1 60 . 1 1 11 11 THR N N 11 108.900 108.900 110.932 -2.032 18531 15443 1 60 . 1 1 11 11 THR HA H 11 4.360 4.360 4.475 -0.115 18531 15444 1 60 . 1 1 11 11 THR CA C 11 62.000 62.000 61.944 0.056 18531 15445 1 60 . 1 1 11 11 THR CB C 11 69.800 69.800 69.422 0.378 18531 15446 1 60 . 1 1 11 11 THR H H 11 8.790 8.790 8.212 0.578 18531 15447 1 60 . 1 1 12 12 LEU N N 12 125.700 125.700 123.279 2.421 18531 15448 1 60 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.539 -0.099 18531 15449 1 60 . 1 1 12 12 LEU CA C 12 55.000 55.000 55.191 -0.191 18531 15450 1 60 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.960 -0.660 18531 15451 1 60 . 1 1 12 12 LEU H H 12 7.580 7.580 7.689 -0.109 18531 15452 1 60 . 1 1 13 13 LYS N N 13 123.500 123.500 124.170 -0.670 18531 15453 1 60 . 1 1 13 13 LYS HA H 13 5.120 5.120 4.799 0.321 18531 15454 1 60 . 1 1 13 13 LYS CA C 13 53.900 53.900 54.996 -1.096 18531 15455 1 60 . 1 1 13 13 LYS CB C 13 34.800 34.800 35.207 -0.407 18531 15456 1 60 . 1 1 13 13 LYS H H 13 8.140 8.140 8.379 -0.239 18531 15457 1 60 . 1 1 14 14 GLY N N 14 109.100 109.100 109.984 -0.884 18531 15458 1 60 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.997 -0.797 18531 15459 1 60 . 1 1 14 14 GLY H H 14 8.340 8.340 8.270 0.070 18531 15460 1 60 . 1 1 15 15 GLU N N 15 118.200 118.200 118.727 -0.527 18531 15461 1 60 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.569 0.031 18531 15462 1 60 . 1 1 15 15 GLU CA C 15 54.500 54.500 54.767 -0.267 18531 15463 1 60 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.437 0.363 18531 15464 1 60 . 1 1 15 15 GLU H H 15 8.390 8.390 8.291 0.099 18531 15465 1 60 . 1 1 16 16 THR N N 16 115.600 115.600 114.280 1.320 18531 15466 1 60 . 1 1 16 16 THR HA H 16 4.730 4.730 4.632 0.098 18531 15467 1 60 . 1 1 16 16 THR CA C 16 60.600 60.600 60.726 -0.126 18531 15468 1 60 . 1 1 16 16 THR CB C 16 69.500 69.500 69.345 0.155 18531 15469 1 60 . 1 1 16 16 THR H H 16 8.820 8.820 8.263 0.557 18531 15470 1 60 . 1 1 17 17 THR N N 17 111.800 111.800 113.423 -1.623 18531 15471 1 60 . 1 1 17 17 THR HA H 17 5.790 5.790 5.460 0.330 18531 15472 1 60 . 1 1 17 17 THR CA C 17 59.800 59.800 59.994 -0.194 18531 15473 1 60 . 1 1 17 17 THR CB C 17 73.100 73.100 71.880 1.220 18531 15474 1 60 . 1 1 17 17 THR H H 17 8.140 8.140 8.111 0.029 18531 15475 1 60 . 1 1 18 18 THR N N 18 115.100 115.100 114.333 0.767 18531 15476 1 60 . 1 1 18 18 THR HA H 18 4.640 4.640 4.568 0.072 18531 15477 1 60 . 1 1 18 18 THR CA C 18 61.900 61.900 61.493 0.407 18531 15478 1 60 . 1 1 18 18 THR CB C 18 70.000 70.000 70.142 -0.142 18531 15479 1 60 . 1 1 18 18 THR H H 18 8.930 8.930 8.430 0.500 18531 15480 1 60 . 1 1 19 19 LYS N N 19 124.300 124.300 120.200 4.100 18531 15481 1 60 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.872 0.458 18531 15482 1 60 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.310 -0.310 18531 15483 1 60 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.307 -0.507 18531 15484 1 60 . 1 1 19 19 LYS H H 19 7.950 7.950 8.164 -0.214 18531 15485 1 60 . 1 1 20 20 ALA N N 20 124.600 124.600 126.828 -2.228 18531 15486 1 60 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.700 0.080 18531 15487 1 60 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.569 -0.669 18531 15488 1 60 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.040 2.760 18531 15489 1 60 . 1 1 20 20 ALA H H 20 9.110 9.110 8.217 0.893 18531 15490 1 60 . 1 1 21 21 VAL N N 21 115.300 115.300 115.923 -0.623 18531 15491 1 60 . 1 1 21 21 VAL HA H 21 4.110 4.110 4.211 -0.101 18531 15492 1 60 . 1 1 21 21 VAL CA C 21 63.300 63.300 62.994 0.306 18531 15493 1 60 . 1 1 21 21 VAL CB C 21 32.200 32.200 32.165 0.035 18531 15494 1 60 . 1 1 21 21 VAL H H 21 8.480 8.480 8.108 0.372 18531 15495 1 60 . 1 1 22 22 ASP N N 22 115.200 115.200 117.879 -2.679 18531 15496 1 60 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.700 0.010 18531 15497 1 60 . 1 1 22 22 ASP CA C 22 52.400 52.400 54.039 -1.639 18531 15498 1 60 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.224 -0.023 18531 15499 1 60 . 1 1 22 22 ASP H H 22 7.310 7.310 7.581 -0.271 18531 15500 1 60 . 1 1 23 23 ALA N N 23 121.000 121.000 126.203 -5.203 18531 15501 1 60 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.829 -0.489 18531 15502 1 60 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.258 -0.358 18531 15503 1 60 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.692 -1.192 18531 15504 1 60 . 1 1 23 23 ALA H H 23 8.370 8.370 8.825 -0.455 18531 15505 1 60 . 1 1 24 24 GLU N N 24 118.900 118.900 118.198 0.702 18531 15506 1 60 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.858 0.001 18531 15507 1 60 . 1 1 24 24 GLU CA C 24 59.700 59.700 60.100 -0.400 18531 15508 1 60 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.842 0.258 18531 15509 1 60 . 1 1 24 24 GLU H H 24 8.410 8.410 8.857 -0.447 18531 15510 1 60 . 1 1 25 25 THR N N 25 117.400 117.400 114.275 3.125 18531 15511 1 60 . 1 1 25 25 THR HA H 25 3.670 3.670 3.978 -0.308 18531 15512 1 60 . 1 1 25 25 THR CA C 25 66.800 66.800 64.826 1.974 18531 15513 1 60 . 1 1 25 25 THR CB C 25 68.000 68.000 68.407 -0.407 18531 15514 1 60 . 1 1 25 25 THR H H 25 8.380 8.380 8.133 0.247 18531 15515 1 60 . 1 1 26 26 ALA N N 26 125.100 125.100 123.672 1.428 18531 15516 1 60 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.694 -0.504 18531 15517 1 60 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.812 0.188 18531 15518 1 60 . 1 1 26 26 ALA CB C 26 17.300 17.300 18.099 -0.799 18531 15519 1 60 . 1 1 26 26 ALA H H 26 7.220 7.220 7.695 -0.475 18531 15520 1 60 . 1 1 27 27 GLU N N 27 117.400 117.400 119.099 -1.699 18531 15521 1 60 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.853 -1.263 18531 15522 1 60 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.617 0.083 18531 15523 1 60 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.444 -0.244 18531 15524 1 60 . 1 1 27 27 GLU H H 27 8.370 8.370 8.325 0.045 18531 15525 1 60 . 1 1 28 28 LYS N N 28 116.300 116.300 118.657 -2.357 18531 15526 1 60 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.816 -0.145 18531 15527 1 60 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.758 -0.158 18531 15528 1 60 . 1 1 28 28 LYS CB C 28 32.200 32.200 31.921 0.279 18531 15529 1 60 . 1 1 28 28 LYS H H 28 7.170 7.170 7.502 -0.332 18531 15530 1 60 . 1 1 29 29 ALA N N 29 122.000 122.000 120.260 1.740 18531 15531 1 60 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.053 0.038 18531 15532 1 60 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.575 0.125 18531 15533 1 60 . 1 1 29 29 ALA CB C 29 17.500 17.500 17.814 -0.314 18531 15534 1 60 . 1 1 29 29 ALA H H 29 7.200 7.200 7.298 -0.098 18531 15535 1 60 . 1 1 30 30 PHE N N 30 119.600 119.600 116.971 2.629 18531 15536 1 60 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.418 0.362 18531 15537 1 60 . 1 1 30 30 PHE CA C 30 56.600 56.600 59.666 -3.066 18531 15538 1 60 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.399 -0.999 18531 15539 1 60 . 1 1 30 30 PHE H H 30 8.610 8.610 7.162 1.448 18531 15540 1 60 . 1 1 31 31 LYS N N 31 122.800 122.800 120.369 2.431 18531 15541 1 60 . 1 1 31 31 LYS HA H 31 4.090 4.090 4.107 -0.017 18531 15542 1 60 . 1 1 31 31 LYS CA C 31 59.700 59.700 60.205 -0.505 18531 15543 1 60 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.679 -0.079 18531 15544 1 60 . 1 1 31 31 LYS H H 31 9.030 9.030 8.627 0.403 18531 15545 1 60 . 1 1 32 32 GLN N N 32 119.600 119.600 118.032 1.568 18531 15546 1 60 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.066 -0.036 18531 15547 1 60 . 1 1 32 32 GLN CA C 32 58.700 58.700 59.182 -0.482 18531 15548 1 60 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.739 -0.639 18531 15549 1 60 . 1 1 32 32 GLN H H 32 7.510 7.510 8.251 -0.741 18531 15550 1 60 . 1 1 33 33 TYR N N 33 120.400 120.400 120.035 0.365 18531 15551 1 60 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.238 0.012 18531 15552 1 60 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.930 0.870 18531 15553 1 60 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.611 0.089 18531 15554 1 60 . 1 1 33 33 TYR H H 33 8.080 8.080 7.474 0.606 18531 15555 1 60 . 1 1 34 34 ALA N N 34 122.300 122.300 121.032 1.268 18531 15556 1 60 . 1 1 34 34 ALA HA H 34 3.780 3.780 4.003 -0.223 18531 15557 1 60 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.504 0.596 18531 15558 1 60 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.601 -0.901 18531 15559 1 60 . 1 1 34 34 ALA H H 34 9.210 9.210 8.864 0.346 18531 15560 1 60 . 1 1 35 35 ASN N N 35 117.700 117.700 116.093 1.607 18531 15561 1 60 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.722 -0.262 18531 15562 1 60 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.449 1.551 18531 15563 1 60 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.433 0.567 18531 15564 1 60 . 1 1 35 35 ASN H H 35 8.390 8.390 8.818 -0.428 18531 15565 1 60 . 1 1 36 36 ASP N N 36 121.100 121.100 119.880 1.220 18531 15566 1 60 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.651 -0.291 18531 15567 1 60 . 1 1 36 36 ASP CA C 36 56.700 56.700 55.626 1.074 18531 15568 1 60 . 1 1 36 36 ASP CB C 36 40.000 40.000 41.198 -1.198 18531 15569 1 60 . 1 1 36 36 ASP H H 36 8.830 8.830 7.810 1.020 18531 15570 1 60 . 1 1 37 37 ASN N N 37 115.200 115.200 117.115 -1.915 18531 15571 1 60 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.873 -0.263 18531 15572 1 60 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.572 1.128 18531 15573 1 60 . 1 1 37 37 ASN CB C 37 40.000 40.000 38.588 1.412 18531 15574 1 60 . 1 1 37 37 ASN H H 37 7.390 7.390 7.551 -0.161 18531 15575 1 60 . 1 1 38 38 GLY N N 38 108.200 108.200 107.423 0.777 18531 15576 1 60 . 1 1 38 38 GLY CA C 38 46.400 46.400 46.194 0.206 18531 15577 1 60 . 1 1 38 38 GLY H H 38 7.800 7.800 7.855 -0.055 18531 15578 1 60 . 1 1 39 39 VAL N N 39 120.800 120.800 119.771 1.029 18531 15579 1 60 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.189 -0.049 18531 15580 1 60 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.844 -0.144 18531 15581 1 60 . 1 1 39 39 VAL CB C 39 33.300 33.300 34.129 -0.829 18531 15582 1 60 . 1 1 39 39 VAL H H 39 8.120 8.120 7.922 0.198 18531 15583 1 60 . 1 1 40 40 ASP N N 40 128.000 128.000 126.152 1.848 18531 15584 1 60 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.819 0.071 18531 15585 1 60 . 1 1 40 40 ASP CA C 40 52.800 52.800 54.072 -1.272 18531 15586 1 60 . 1 1 40 40 ASP CB C 40 43.100 43.100 43.947 -0.847 18531 15587 1 60 . 1 1 40 40 ASP H H 40 8.770 8.770 8.466 0.304 18531 15588 1 60 . 1 1 41 41 GLY N N 41 107.100 107.100 111.445 -4.345 18531 15589 1 60 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.258 0.142 18531 15590 1 60 . 1 1 41 41 GLY H H 41 7.910 7.910 8.031 -0.121 18531 15591 1 60 . 1 1 42 42 VAL N N 42 120.300 120.300 120.870 -0.570 18531 15592 1 60 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.275 0.105 18531 15593 1 60 . 1 1 42 42 VAL CA C 42 62.100 62.100 62.147 -0.047 18531 15594 1 60 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.334 0.066 18531 15595 1 60 . 1 1 42 42 VAL H H 42 8.250 8.250 8.457 -0.207 18531 15596 1 60 . 1 1 43 43 TRP N N 43 130.700 130.700 124.635 6.065 18531 15597 1 60 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.376 -0.016 18531 15598 1 60 . 1 1 43 43 TRP CA C 43 57.600 57.600 55.508 2.092 18531 15599 1 60 . 1 1 43 43 TRP CB C 43 30.200 30.200 30.799 -0.599 18531 15600 1 60 . 1 1 43 43 TRP H H 43 9.360 9.360 8.485 0.875 18531 15601 1 60 . 1 1 44 44 THR N N 44 114.500 114.500 119.766 -5.266 18531 15602 1 60 . 1 1 44 44 THR HA H 44 4.830 4.830 4.592 0.238 18531 15603 1 60 . 1 1 44 44 THR CA C 44 60.300 60.300 60.803 -0.503 18531 15604 1 60 . 1 1 44 44 THR CB C 44 72.100 72.100 68.493 3.607 18531 15605 1 60 . 1 1 44 44 THR H H 44 9.400 9.400 8.392 1.008 18531 15606 1 60 . 1 1 45 45 TYR N N 45 120.100 120.100 127.112 -7.012 18531 15607 1 60 . 1 1 45 45 TYR HA H 45 4.970 4.970 5.068 -0.098 18531 15608 1 60 . 1 1 45 45 TYR CA C 45 57.000 57.000 54.987 2.013 18531 15609 1 60 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.759 0.841 18531 15610 1 60 . 1 1 45 45 TYR H H 45 8.580 8.580 8.143 0.437 18531 15611 1 60 . 1 1 46 46 ASP N N 46 128.300 128.300 124.444 3.856 18531 15612 1 60 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.281 0.299 18531 15613 1 60 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.884 0.016 18531 15614 1 60 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.837 -0.737 18531 15615 1 60 . 1 1 46 46 ASP H H 46 7.580 7.580 7.847 -0.267 18531 15616 1 60 . 1 1 47 47 ASP N N 47 124.800 124.800 125.714 -0.914 18531 15617 1 60 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.656 -0.546 18531 15618 1 60 . 1 1 47 47 ASP CA C 47 56.500 56.500 54.755 1.744 18531 15619 1 60 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.862 1.238 18531 15620 1 60 . 1 1 47 47 ASP H H 47 8.590 8.590 8.308 0.282 18531 15621 1 60 . 1 1 48 48 ALA N N 48 119.700 119.700 121.688 -1.988 18531 15622 1 60 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.377 -0.287 18531 15623 1 60 . 1 1 48 48 ALA CA C 48 55.000 55.000 53.481 1.519 18531 15624 1 60 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.923 -1.623 18531 15625 1 60 . 1 1 48 48 ALA H H 48 8.340 8.340 7.951 0.389 18531 15626 1 60 . 1 1 49 49 THR N N 49 103.200 103.200 113.906 -10.706 18531 15627 1 60 . 1 1 49 49 THR HA H 49 4.390 4.390 4.435 -0.045 18531 15628 1 60 . 1 1 49 49 THR CA C 49 60.200 60.200 60.684 -0.484 18531 15629 1 60 . 1 1 49 49 THR CB C 49 70.000 70.000 68.766 1.234 18531 15630 1 60 . 1 1 49 49 THR H H 49 7.000 7.000 7.803 -0.803 18531 15631 1 60 . 1 1 50 50 LYS N N 50 123.100 123.100 117.340 5.760 18531 15632 1 60 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.146 0.044 18531 15633 1 60 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.966 -0.366 18531 15634 1 60 . 1 1 50 50 LYS CB C 50 28.600 28.600 29.596 -0.996 18531 15635 1 60 . 1 1 50 50 LYS H H 50 7.860 7.860 7.761 0.099 18531 15636 1 60 . 1 1 51 51 THR N N 51 111.200 111.200 115.947 -4.747 18531 15637 1 60 . 1 1 51 51 THR HA H 51 5.490 5.490 4.661 0.829 18531 15638 1 60 . 1 1 51 51 THR CA C 51 62.300 62.300 62.767 -0.467 18531 15639 1 60 . 1 1 51 51 THR CB C 51 72.100 72.100 69.818 2.282 18531 15640 1 60 . 1 1 51 51 THR H H 51 7.390 7.390 7.624 -0.234 18531 15641 1 60 . 1 1 52 52 PHE N N 52 131.000 131.000 129.469 1.531 18531 15642 1 60 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.080 0.550 18531 15643 1 60 . 1 1 52 52 PHE CA C 52 57.300 57.300 57.039 0.261 18531 15644 1 60 . 1 1 52 52 PHE CB C 52 42.600 42.600 40.080 2.520 18531 15645 1 60 . 1 1 52 52 PHE H H 52 10.390 10.390 8.602 1.788 18531 15646 1 60 . 1 1 53 53 THR N N 53 117.400 117.400 120.738 -3.338 18531 15647 1 60 . 1 1 53 53 THR HA H 53 5.270 5.270 5.142 0.128 18531 15648 1 60 . 1 1 53 53 THR CA C 53 61.200 61.200 61.167 0.033 18531 15649 1 60 . 1 1 53 53 THR CB C 53 71.000 71.000 71.001 -0.001 18531 15650 1 60 . 1 1 53 53 THR H H 53 9.180 9.180 9.004 0.176 18531 15651 1 60 . 1 1 54 54 VAL N N 54 123.000 123.000 126.050 -3.050 18531 15652 1 60 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.504 -0.044 18531 15653 1 60 . 1 1 54 54 VAL CA C 54 58.100 58.100 60.638 -2.538 18531 15654 1 60 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.420 -1.120 18531 15655 1 60 . 1 1 54 54 VAL H H 54 8.280 8.280 9.134 -0.854 18531 15656 1 60 . 1 1 55 55 THR N N 55 123.900 123.900 124.682 -0.782 18531 15657 1 60 . 1 1 55 55 THR HA H 55 4.700 4.700 4.489 0.211 18531 15658 1 60 . 1 1 55 55 THR CA C 55 61.200 61.200 62.239 -1.040 18531 15659 1 60 . 1 1 55 55 THR CB C 55 70.700 70.700 69.393 1.307 18531 15660 1 60 . 1 1 55 55 THR H H 55 8.320 8.320 8.145 0.175 18531 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 53 2.704 0.006 2.730 18531 2 1 1 "Average Difference" HA 58 0.313 0.020 0.315 18531 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18531 4 1 1 "Average Difference" CA 54 0.932 -0.127 0.932 18531 5 1 1 "Average Difference" CB 50 1.279 0.132 1.285 18531 6 1 1 "Average Difference" HN 54 0.566 -0.193 0.537 18531 7 1 2 "Average Difference" N 53 2.772 0.311 2.781 18531 8 1 2 "Average Difference" HA 58 0.304 0.006 0.307 18531 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18531 10 1 2 "Average Difference" CA 54 0.972 -0.061 0.980 18531 11 1 2 "Average Difference" CB 50 1.224 -0.009 1.236 18531 12 1 2 "Average Difference" HN 54 0.520 -0.165 0.498 18531 13 1 3 "Average Difference" N 53 2.471 -0.005 2.494 18531 14 1 3 "Average Difference" HA 58 0.299 0.004 0.302 18531 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18531 16 1 3 "Average Difference" CA 54 0.970 -0.207 0.956 18531 17 1 3 "Average Difference" CB 50 1.221 0.125 1.227 18531 18 1 3 "Average Difference" HN 54 0.543 -0.191 0.513 18531 19 1 4 "Average Difference" N 53 2.668 -0.006 2.693 18531 20 1 4 "Average Difference" HA 58 0.355 0.002 0.358 18531 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18531 22 1 4 "Average Difference" CA 54 1.019 -0.107 1.023 18531 23 1 4 "Average Difference" CB 50 1.185 0.081 1.194 18531 24 1 4 "Average Difference" HN 54 0.582 -0.171 0.562 18531 25 1 5 "Average Difference" N 53 2.639 -0.248 2.652 18531 26 1 5 "Average Difference" HA 58 0.386 -0.007 0.389 18531 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18531 28 1 5 "Average Difference" CA 54 1.003 -0.153 1.001 18531 29 1 5 "Average Difference" CB 50 1.342 0.027 1.356 18531 30 1 5 "Average Difference" HN 54 0.645 -0.140 0.635 18531 31 1 6 "Average Difference" N 53 2.689 -0.143 2.710 18531 32 1 6 "Average Difference" HA 58 0.359 -0.038 0.360 18531 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18531 34 1 6 "Average Difference" CA 54 0.933 -0.072 0.939 18531 35 1 6 "Average Difference" CB 50 1.312 -0.004 1.326 18531 36 1 6 "Average Difference" HN 54 0.584 -0.157 0.567 18531 37 1 7 "Average Difference" N 53 2.458 0.124 2.478 18531 38 1 7 "Average Difference" HA 58 0.339 0.027 0.341 18531 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18531 40 1 7 "Average Difference" CA 54 0.997 -0.138 0.997 18531 41 1 7 "Average Difference" CB 50 1.273 0.094 1.282 18531 42 1 7 "Average Difference" HN 54 0.548 -0.174 0.525 18531 43 1 8 "Average Difference" N 53 2.598 0.119 2.621 18531 44 1 8 "Average Difference" HA 58 0.322 0.012 0.324 18531 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18531 46 1 8 "Average Difference" CA 54 1.008 -0.093 1.013 18531 47 1 8 "Average Difference" CB 50 1.450 0.063 1.464 18531 48 1 8 "Average Difference" HN 54 0.609 -0.176 0.588 18531 49 1 9 "Average Difference" N 53 3.294 0.526 3.282 18531 50 1 9 "Average Difference" HA 58 0.341 0.002 0.344 18531 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18531 52 1 9 "Average Difference" CA 54 0.963 -0.072 0.969 18531 53 1 9 "Average Difference" CB 50 1.403 0.010 1.418 18531 54 1 9 "Average Difference" HN 54 0.560 -0.200 0.528 18531 55 1 10 "Average Difference" N 53 2.434 -0.324 2.435 18531 56 1 10 "Average Difference" HA 58 0.320 0.012 0.323 18531 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18531 58 1 10 "Average Difference" CA 54 0.889 -0.081 0.893 18531 59 1 10 "Average Difference" CB 50 1.182 0.060 1.192 18531 60 1 10 "Average Difference" HN 54 0.578 -0.172 0.557 18531 61 1 11 "Average Difference" N 53 2.790 0.182 2.811 18531 62 1 11 "Average Difference" HA 58 0.389 0.017 0.392 18531 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18531 64 1 11 "Average Difference" CA 54 1.202 -0.123 1.207 18531 65 1 11 "Average Difference" CB 50 1.370 0.153 1.375 18531 66 1 11 "Average Difference" HN 54 0.635 -0.103 0.632 18531 67 1 12 "Average Difference" N 53 2.516 0.045 2.539 18531 68 1 12 "Average Difference" HA 58 0.316 0.054 0.314 18531 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18531 70 1 12 "Average Difference" CA 54 0.895 -0.068 0.900 18531 71 1 12 "Average Difference" CB 50 1.157 0.101 1.164 18531 72 1 12 "Average Difference" HN 54 0.605 -0.202 0.576 18531 73 1 13 "Average Difference" N 53 2.722 0.340 2.726 18531 74 1 13 "Average Difference" HA 58 0.345 0.041 0.346 18531 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18531 76 1 13 "Average Difference" CA 54 1.018 -0.131 1.019 18531 77 1 13 "Average Difference" CB 50 1.359 0.070 1.370 18531 78 1 13 "Average Difference" HN 54 0.646 -0.179 0.626 18531 79 1 14 "Average Difference" N 53 2.784 0.348 2.789 18531 80 1 14 "Average Difference" HA 58 0.327 0.036 0.328 18531 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18531 82 1 14 "Average Difference" CA 54 1.004 -0.031 1.013 18531 83 1 14 "Average Difference" CB 50 1.250 -0.019 1.262 18531 84 1 14 "Average Difference" HN 54 0.541 -0.150 0.525 18531 85 1 15 "Average Difference" N 53 2.330 -0.153 2.347 18531 86 1 15 "Average Difference" HA 58 0.360 -0.016 0.363 18531 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18531 88 1 15 "Average Difference" CA 54 0.976 -0.101 0.980 18531 89 1 15 "Average Difference" CB 50 1.284 0.029 1.297 18531 90 1 15 "Average Difference" HN 54 0.635 -0.187 0.612 18531 91 1 16 "Average Difference" N 53 2.564 -0.281 2.573 18531 92 1 16 "Average Difference" HA 58 0.331 0.021 0.334 18531 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18531 94 1 16 "Average Difference" CA 54 0.917 -0.038 0.924 18531 95 1 16 "Average Difference" CB 50 1.325 0.178 1.326 18531 96 1 16 "Average Difference" HN 54 0.569 -0.197 0.539 18531 97 1 17 "Average Difference" N 53 2.537 -0.148 2.557 18531 98 1 17 "Average Difference" HA 58 0.366 -0.033 0.368 18531 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18531 100 1 17 "Average Difference" CA 54 1.157 0.037 1.167 18531 101 1 17 "Average Difference" CB 50 1.303 -0.155 1.307 18531 102 1 17 "Average Difference" HN 54 0.600 -0.121 0.593 18531 103 1 18 "Average Difference" N 53 2.719 -0.109 2.743 18531 104 1 18 "Average Difference" HA 58 0.295 0.047 0.294 18531 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18531 106 1 18 "Average Difference" CA 54 0.972 -0.161 0.968 18531 107 1 18 "Average Difference" CB 50 1.283 0.049 1.295 18531 108 1 18 "Average Difference" HN 54 0.583 -0.238 0.537 18531 109 1 19 "Average Difference" N 53 2.741 0.248 2.756 18531 110 1 19 "Average Difference" HA 58 0.321 0.028 0.322 18531 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18531 112 1 19 "Average Difference" CA 54 0.913 -0.155 0.908 18531 113 1 19 "Average Difference" CB 50 1.408 -0.032 1.422 18531 114 1 19 "Average Difference" HN 54 0.541 -0.152 0.524 18531 115 1 20 "Average Difference" N 53 2.892 -0.073 2.919 18531 116 1 20 "Average Difference" HA 58 0.326 -0.017 0.328 18531 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18531 118 1 20 "Average Difference" CA 54 0.986 -0.053 0.994 18531 119 1 20 "Average Difference" CB 50 1.323 -0.022 1.337 18531 120 1 20 "Average Difference" HN 54 0.532 -0.178 0.506 18531 121 1 21 "Average Difference" N 53 2.317 0.102 2.337 18531 122 1 21 "Average Difference" HA 58 0.379 -0.053 0.378 18531 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18531 124 1 21 "Average Difference" CA 54 1.037 0.067 1.044 18531 125 1 21 "Average Difference" CB 50 1.101 -0.107 1.107 18531 126 1 21 "Average Difference" HN 54 0.551 -0.214 0.513 18531 127 1 22 "Average Difference" N 53 2.053 -0.002 2.072 18531 128 1 22 "Average Difference" HA 58 0.348 -0.041 0.349 18531 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18531 130 1 22 "Average Difference" CA 54 0.854 0.043 0.861 18531 131 1 22 "Average Difference" CB 50 1.220 0.085 1.229 18531 132 1 22 "Average Difference" HN 54 0.497 -0.154 0.477 18531 133 1 23 "Average Difference" N 53 2.471 0.060 2.494 18531 134 1 23 "Average Difference" HA 58 0.375 -0.055 0.374 18531 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18531 136 1 23 "Average Difference" CA 54 0.940 -0.004 0.949 18531 137 1 23 "Average Difference" CB 50 1.030 0.069 1.038 18531 138 1 23 "Average Difference" HN 54 0.558 -0.206 0.523 18531 139 1 24 "Average Difference" N 53 2.179 0.325 2.175 18531 140 1 24 "Average Difference" HA 58 0.371 -0.060 0.369 18531 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18531 142 1 24 "Average Difference" CA 54 1.016 0.051 1.024 18531 143 1 24 "Average Difference" CB 50 1.032 -0.064 1.041 18531 144 1 24 "Average Difference" HN 54 0.548 -0.206 0.512 18531 145 1 25 "Average Difference" N 53 2.248 0.349 2.242 18531 146 1 25 "Average Difference" HA 58 0.382 -0.044 0.382 18531 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18531 148 1 25 "Average Difference" CA 54 0.952 0.005 0.961 18531 149 1 25 "Average Difference" CB 50 1.135 -0.027 1.146 18531 150 1 25 "Average Difference" HN 54 0.527 -0.243 0.472 18531 151 1 26 "Average Difference" N 53 2.453 0.577 2.407 18531 152 1 26 "Average Difference" HA 58 0.399 -0.047 0.399 18531 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 18531 154 1 26 "Average Difference" CA 54 0.956 0.025 0.965 18531 155 1 26 "Average Difference" CB 50 1.289 -0.033 1.301 18531 156 1 26 "Average Difference" HN 54 0.586 -0.187 0.560 18531 157 1 27 "Average Difference" N 53 2.111 -0.021 2.131 18531 158 1 27 "Average Difference" HA 58 0.352 -0.038 0.354 18531 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 18531 160 1 27 "Average Difference" CA 54 0.903 0.041 0.911 18531 161 1 27 "Average Difference" CB 50 1.107 0.022 1.118 18531 162 1 27 "Average Difference" HN 54 0.550 -0.163 0.530 18531 163 1 28 "Average Difference" N 53 2.366 0.114 2.386 18531 164 1 28 "Average Difference" HA 58 0.344 -0.067 0.341 18531 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 18531 166 1 28 "Average Difference" CA 54 0.941 0.118 0.942 18531 167 1 28 "Average Difference" CB 50 1.081 0.023 1.092 18531 168 1 28 "Average Difference" HN 54 0.555 -0.205 0.521 18531 169 1 29 "Average Difference" N 53 2.563 0.034 2.587 18531 170 1 29 "Average Difference" HA 58 0.293 0.010 0.295 18531 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 18531 172 1 29 "Average Difference" CA 54 1.064 0.006 1.074 18531 173 1 29 "Average Difference" CB 50 1.065 -0.157 1.064 18531 174 1 29 "Average Difference" HN 54 0.547 -0.196 0.516 18531 175 1 30 "Average Difference" N 53 2.432 0.044 2.455 18531 176 1 30 "Average Difference" HA 58 0.363 -0.031 0.365 18531 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 18531 178 1 30 "Average Difference" CA 54 1.056 0.001 1.066 18531 179 1 30 "Average Difference" CB 50 1.031 0.029 1.042 18531 180 1 30 "Average Difference" HN 54 0.646 -0.204 0.619 18531 181 1 31 "Average Difference" N 53 2.147 -0.064 2.167 18531 182 1 31 "Average Difference" HA 58 0.375 -0.051 0.374 18531 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 18531 184 1 31 "Average Difference" CA 54 0.802 0.050 0.808 18531 185 1 31 "Average Difference" CB 50 1.104 -0.022 1.115 18531 186 1 31 "Average Difference" HN 54 0.606 -0.206 0.575 18531 187 1 32 "Average Difference" N 53 2.085 0.101 2.102 18531 188 1 32 "Average Difference" HA 58 0.365 -0.066 0.362 18531 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 18531 190 1 32 "Average Difference" CA 54 0.977 -0.015 0.987 18531 191 1 32 "Average Difference" CB 50 1.035 0.062 1.044 18531 192 1 32 "Average Difference" HN 54 0.550 -0.221 0.509 18531 193 1 33 "Average Difference" N 53 2.824 0.273 2.838 18531 194 1 33 "Average Difference" HA 58 0.364 -0.045 0.364 18531 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 18531 196 1 33 "Average Difference" CA 54 0.898 -0.009 0.906 18531 197 1 33 "Average Difference" CB 50 1.048 -0.001 1.059 18531 198 1 33 "Average Difference" HN 54 0.565 -0.195 0.535 18531 199 1 34 "Average Difference" N 53 2.580 0.170 2.599 18531 200 1 34 "Average Difference" HA 58 0.355 -0.032 0.356 18531 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 18531 202 1 34 "Average Difference" CA 54 1.066 0.035 1.075 18531 203 1 34 "Average Difference" CB 50 1.081 0.021 1.091 18531 204 1 34 "Average Difference" HN 54 0.554 -0.157 0.536 18531 205 1 35 "Average Difference" N 53 2.342 0.218 2.354 18531 206 1 35 "Average Difference" HA 58 0.360 -0.078 0.355 18531 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 18531 208 1 35 "Average Difference" CA 54 0.983 0.036 0.992 18531 209 1 35 "Average Difference" CB 50 0.996 -0.016 1.006 18531 210 1 35 "Average Difference" HN 54 0.545 -0.204 0.510 18531 211 1 36 "Average Difference" N 53 2.183 -0.012 2.204 18531 212 1 36 "Average Difference" HA 58 0.391 -0.066 0.389 18531 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 18531 214 1 36 "Average Difference" CA 54 0.985 0.076 0.991 18531 215 1 36 "Average Difference" CB 50 1.125 -0.018 1.136 18531 216 1 36 "Average Difference" HN 54 0.599 -0.279 0.536 18531 217 1 37 "Average Difference" N 53 2.296 0.261 2.303 18531 218 1 37 "Average Difference" HA 58 0.389 -0.043 0.390 18531 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 18531 220 1 37 "Average Difference" CA 54 0.908 0.051 0.915 18531 221 1 37 "Average Difference" CB 50 1.236 -0.005 1.248 18531 222 1 37 "Average Difference" HN 54 0.542 -0.199 0.509 18531 223 1 38 "Average Difference" N 53 2.121 -0.113 2.138 18531 224 1 38 "Average Difference" HA 58 0.353 -0.072 0.349 18531 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 18531 226 1 38 "Average Difference" CA 54 0.913 0.033 0.921 18531 227 1 38 "Average Difference" CB 50 1.073 0.052 1.083 18531 228 1 38 "Average Difference" HN 54 0.555 -0.212 0.518 18531 229 1 39 "Average Difference" N 53 2.461 0.620 2.405 18531 230 1 39 "Average Difference" HA 58 0.320 -0.023 0.322 18531 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 18531 232 1 39 "Average Difference" CA 54 1.048 0.075 1.055 18531 233 1 39 "Average Difference" CB 50 1.175 -0.213 1.167 18531 234 1 39 "Average Difference" HN 54 0.472 -0.129 0.458 18531 235 1 40 "Average Difference" N 53 2.414 0.210 2.428 18531 236 1 40 "Average Difference" HA 58 0.333 -0.049 0.332 18531 237 1 40 "Average Difference" C 0 0.000 0.000 0.000 18531 238 1 40 "Average Difference" CA 54 0.959 0.078 0.965 18531 239 1 40 "Average Difference" CB 50 1.085 0.081 1.093 18531 240 1 40 "Average Difference" HN 54 0.569 -0.204 0.536 18531 241 1 41 "Average Difference" N 53 3.270 0.372 3.279 18531 242 1 41 "Average Difference" HA 58 0.343 -0.003 0.346 18531 243 1 41 "Average Difference" C 0 0.000 0.000 0.000 18531 244 1 41 "Average Difference" CA 54 1.057 0.007 1.067 18531 245 1 41 "Average Difference" CB 50 1.159 -0.081 1.168 18531 246 1 41 "Average Difference" HN 54 0.523 -0.082 0.521 18531 247 1 42 "Average Difference" N 53 3.504 0.390 3.515 18531 248 1 42 "Average Difference" HA 58 0.342 0.009 0.345 18531 249 1 42 "Average Difference" C 0 0.000 0.000 0.000 18531 250 1 42 "Average Difference" CA 54 1.032 -0.066 1.039 18531 251 1 42 "Average Difference" CB 50 1.144 0.069 1.154 18531 252 1 42 "Average Difference" HN 54 0.592 -0.175 0.571 18531 253 1 43 "Average Difference" N 53 3.174 0.219 3.197 18531 254 1 43 "Average Difference" HA 58 0.369 -0.016 0.372 18531 255 1 43 "Average Difference" C 0 0.000 0.000 0.000 18531 256 1 43 "Average Difference" CA 54 1.112 0.006 1.122 18531 257 1 43 "Average Difference" CB 50 1.181 -0.032 1.192 18531 258 1 43 "Average Difference" HN 54 0.580 -0.134 0.570 18531 259 1 44 "Average Difference" N 53 3.186 0.126 3.214 18531 260 1 44 "Average Difference" HA 58 0.358 -0.018 0.361 18531 261 1 44 "Average Difference" C 0 0.000 0.000 0.000 18531 262 1 44 "Average Difference" CA 54 1.170 -0.025 1.180 18531 263 1 44 "Average Difference" CB 50 1.052 0.088 1.059 18531 264 1 44 "Average Difference" HN 54 0.601 -0.158 0.585 18531 265 1 45 "Average Difference" N 53 3.277 0.215 3.302 18531 266 1 45 "Average Difference" HA 58 0.385 -0.034 0.387 18531 267 1 45 "Average Difference" C 0 0.000 0.000 0.000 18531 268 1 45 "Average Difference" CA 54 1.112 0.019 1.122 18531 269 1 45 "Average Difference" CB 50 1.012 0.033 1.022 18531 270 1 45 "Average Difference" HN 54 0.581 -0.146 0.567 18531 271 1 46 "Average Difference" N 53 3.141 0.036 3.170 18531 272 1 46 "Average Difference" HA 58 0.360 -0.032 0.362 18531 273 1 46 "Average Difference" C 0 0.000 0.000 0.000 18531 274 1 46 "Average Difference" CA 54 1.155 0.083 1.163 18531 275 1 46 "Average Difference" CB 50 1.113 0.083 1.121 18531 276 1 46 "Average Difference" HN 54 0.598 -0.179 0.576 18531 277 1 47 "Average Difference" N 53 3.317 0.274 3.337 18531 278 1 47 "Average Difference" HA 58 0.327 -0.026 0.329 18531 279 1 47 "Average Difference" C 0 0.000 0.000 0.000 18531 280 1 47 "Average Difference" CA 54 1.085 -0.125 1.088 18531 281 1 47 "Average Difference" CB 50 1.050 -0.161 1.048 18531 282 1 47 "Average Difference" HN 54 0.585 -0.217 0.549 18531 283 1 48 "Average Difference" N 53 3.228 0.348 3.240 18531 284 1 48 "Average Difference" HA 58 0.361 0.009 0.364 18531 285 1 48 "Average Difference" C 0 0.000 0.000 0.000 18531 286 1 48 "Average Difference" CA 54 1.200 -0.074 1.209 18531 287 1 48 "Average Difference" CB 50 1.153 -0.077 1.162 18531 288 1 48 "Average Difference" HN 54 0.602 -0.160 0.586 18531 289 1 49 "Average Difference" N 53 2.607 -0.229 2.622 18531 290 1 49 "Average Difference" HA 58 0.398 -0.083 0.392 18531 291 1 49 "Average Difference" C 0 0.000 0.000 0.000 18531 292 1 49 "Average Difference" CA 54 1.013 0.128 1.014 18531 293 1 49 "Average Difference" CB 50 1.207 0.175 1.206 18531 294 1 49 "Average Difference" HN 54 0.554 -0.132 0.543 18531 295 1 50 "Average Difference" N 53 3.507 0.476 3.508 18531 296 1 50 "Average Difference" HA 58 0.397 -0.024 0.399 18531 297 1 50 "Average Difference" C 0 0.000 0.000 0.000 18531 298 1 50 "Average Difference" CA 54 1.143 0.027 1.153 18531 299 1 50 "Average Difference" CB 50 1.206 -0.263 1.189 18531 300 1 50 "Average Difference" HN 54 0.563 -0.139 0.551 18531 301 1 51 "Average Difference" N 53 3.135 0.034 3.165 18531 302 1 51 "Average Difference" HA 58 0.370 -0.032 0.371 18531 303 1 51 "Average Difference" C 0 0.000 0.000 0.000 18531 304 1 51 "Average Difference" CA 54 1.102 -0.149 1.102 18531 305 1 51 "Average Difference" CB 50 1.048 -0.048 1.057 18531 306 1 51 "Average Difference" HN 54 0.565 -0.172 0.543 18531 307 1 52 "Average Difference" N 53 3.192 0.554 3.173 18531 308 1 52 "Average Difference" HA 58 0.337 0.006 0.340 18531 309 1 52 "Average Difference" C 0 0.000 0.000 0.000 18531 310 1 52 "Average Difference" CA 54 1.103 -0.086 1.110 18531 311 1 52 "Average Difference" CB 50 1.161 -0.122 1.166 18531 312 1 52 "Average Difference" HN 54 0.516 -0.151 0.497 18531 313 1 53 "Average Difference" N 53 2.668 0.047 2.693 18531 314 1 53 "Average Difference" HA 58 0.362 -0.036 0.363 18531 315 1 53 "Average Difference" C 0 0.000 0.000 0.000 18531 316 1 53 "Average Difference" CA 54 0.996 0.072 1.003 18531 317 1 53 "Average Difference" CB 50 0.908 -0.038 0.916 18531 318 1 53 "Average Difference" HN 54 0.579 -0.172 0.558 18531 319 1 54 "Average Difference" N 53 2.917 0.050 2.944 18531 320 1 54 "Average Difference" HA 58 0.367 -0.047 0.367 18531 321 1 54 "Average Difference" C 0 0.000 0.000 0.000 18531 322 1 54 "Average Difference" CA 54 0.984 0.025 0.993 18531 323 1 54 "Average Difference" CB 50 1.049 -0.099 1.055 18531 324 1 54 "Average Difference" HN 54 0.585 -0.180 0.561 18531 325 1 55 "Average Difference" N 53 3.238 0.173 3.264 18531 326 1 55 "Average Difference" HA 58 0.365 -0.004 0.368 18531 327 1 55 "Average Difference" C 0 0.000 0.000 0.000 18531 328 1 55 "Average Difference" CA 54 1.147 -0.088 1.154 18531 329 1 55 "Average Difference" CB 50 1.140 0.008 1.152 18531 330 1 55 "Average Difference" HN 54 0.556 -0.120 0.548 18531 331 1 56 "Average Difference" N 53 3.448 0.487 3.446 18531 332 1 56 "Average Difference" HA 58 0.340 -0.038 0.341 18531 333 1 56 "Average Difference" C 0 0.000 0.000 0.000 18531 334 1 56 "Average Difference" CA 54 1.083 -0.011 1.093 18531 335 1 56 "Average Difference" CB 50 1.076 -0.216 1.065 18531 336 1 56 "Average Difference" HN 54 0.581 -0.082 0.580 18531 337 1 57 "Average Difference" N 53 3.278 0.153 3.306 18531 338 1 57 "Average Difference" HA 58 0.355 0.024 0.357 18531 339 1 57 "Average Difference" C 0 0.000 0.000 0.000 18531 340 1 57 "Average Difference" CA 54 1.137 -0.101 1.144 18531 341 1 57 "Average Difference" CB 50 1.149 0.048 1.160 18531 342 1 57 "Average Difference" HN 54 0.580 -0.220 0.541 18531 343 1 58 "Average Difference" N 53 3.157 0.393 3.163 18531 344 1 58 "Average Difference" HA 58 0.340 -0.037 0.341 18531 345 1 58 "Average Difference" C 0 0.000 0.000 0.000 18531 346 1 58 "Average Difference" CA 54 1.066 0.010 1.076 18531 347 1 58 "Average Difference" CB 50 1.059 -0.095 1.066 18531 348 1 58 "Average Difference" HN 54 0.562 -0.139 0.550 18531 349 1 59 "Average Difference" N 53 3.139 -0.254 3.159 18531 350 1 59 "Average Difference" HA 58 0.365 -0.093 0.356 18531 351 1 59 "Average Difference" C 0 0.000 0.000 0.000 18531 352 1 59 "Average Difference" CA 54 1.145 0.044 1.155 18531 353 1 59 "Average Difference" CB 50 1.064 -0.017 1.074 18531 354 1 59 "Average Difference" HN 54 0.614 -0.198 0.586 18531 355 1 60 "Average Difference" N 53 3.085 0.213 3.107 18531 356 1 60 "Average Difference" HA 58 0.331 0.021 0.333 18531 357 1 60 "Average Difference" C 0 0.000 0.000 0.000 18531 358 1 60 "Average Difference" CA 54 1.036 -0.040 1.045 18531 359 1 60 "Average Difference" CB 50 1.207 -0.104 1.215 18531 360 1 60 "Average Difference" HN 54 0.598 -0.206 0.567 18531 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 18531 _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 GLN HA H 2 5.050 5.050 4.728 0.322 18531 2 1 . 1 1 2 2 GLN CA C 2 55.600 55.600 55.120 0.480 18531 3 1 . 1 1 2 2 GLN CB C 2 30.700 30.700 30.717 -0.017 18531 4 1 . 1 1 2 2 GLN H H 2 8.410 8.410 8.101 0.309 18531 5 1 . 1 1 3 3 TYR N N 3 124.000 124.000 122.848 1.152 18531 6 1 . 1 1 3 3 TYR HA H 3 5.360 5.360 5.048 0.312 18531 7 1 . 1 1 3 3 TYR CA C 3 57.100 57.100 56.650 0.450 18531 8 1 . 1 1 3 3 TYR CB C 3 43.600 43.600 41.585 2.015 18531 9 1 . 1 1 3 3 TYR H H 3 9.070 9.070 8.677 0.393 18531 10 1 . 1 1 4 4 LYS N N 4 122.500 122.500 121.388 1.112 18531 11 1 . 1 1 4 4 LYS HA H 4 5.220 5.220 5.013 0.207 18531 12 1 . 1 1 4 4 LYS CA C 4 55.000 55.000 54.671 0.329 18531 13 1 . 1 1 4 4 LYS CB C 4 36.000 36.000 35.966 0.034 18531 14 1 . 1 1 4 4 LYS H H 4 9.100 9.100 8.773 0.327 18531 15 1 . 1 1 5 5 LEU N N 5 126.400 126.400 126.791 -0.392 18531 16 1 . 1 1 5 5 LEU HA H 5 4.970 4.970 4.998 -0.028 18531 17 1 . 1 1 5 5 LEU CA C 5 52.800 52.800 53.596 -0.796 18531 18 1 . 1 1 5 5 LEU CB C 5 42.600 42.600 44.958 -2.358 18531 19 1 . 1 1 5 5 LEU H H 5 8.620 8.620 8.527 0.093 18531 20 1 . 1 1 6 6 VAL N N 6 127.000 127.000 126.727 0.273 18531 21 1 . 1 1 6 6 VAL HA H 6 4.160 4.160 4.429 -0.269 18531 22 1 . 1 1 6 6 VAL CA C 6 62.300 62.300 61.373 0.927 18531 23 1 . 1 1 6 6 VAL CB C 6 32.700 32.700 33.400 -0.700 18531 24 1 . 1 1 6 6 VAL H H 6 9.190 9.190 8.748 0.442 18531 25 1 . 1 1 7 7 ILE N N 7 125.400 125.400 127.626 -2.226 18531 26 1 . 1 1 7 7 ILE HA H 7 4.090 4.090 4.312 -0.222 18531 27 1 . 1 1 7 7 ILE CA C 7 60.700 60.700 60.760 -0.060 18531 28 1 . 1 1 7 7 ILE CB C 7 39.000 39.000 38.686 0.314 18531 29 1 . 1 1 7 7 ILE H H 7 8.800 8.800 8.444 0.356 18531 30 1 . 1 1 8 8 ASN N N 8 128.900 128.900 126.153 2.747 18531 31 1 . 1 1 8 8 ASN HA H 8 5.280 5.280 4.976 0.304 18531 32 1 . 1 1 8 8 ASN CA C 8 50.800 50.800 52.437 -1.637 18531 33 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.032 -0.932 18531 34 1 . 1 1 8 8 ASN H H 8 8.990 8.990 8.367 0.623 18531 35 1 . 1 1 9 9 GLY N N 9 110.200 110.200 107.969 2.231 18531 36 1 . 1 1 9 9 GLY CA C 9 44.700 44.700 44.289 0.411 18531 37 1 . 1 1 9 9 GLY H H 9 7.920 7.920 7.952 -0.032 18531 38 1 . 1 1 10 10 LYS N N 10 120.700 120.700 120.550 0.150 18531 39 1 . 1 1 10 10 LYS HA H 10 4.060 4.060 4.172 -0.112 18531 40 1 . 1 1 10 10 LYS CA C 10 59.200 59.200 58.699 0.501 18531 41 1 . 1 1 10 10 LYS CB C 10 32.900 32.900 32.773 0.127 18531 42 1 . 1 1 10 10 LYS H H 10 9.520 9.520 8.616 0.904 18531 43 1 . 1 1 11 11 THR N N 11 108.900 108.900 110.185 -1.285 18531 44 1 . 1 1 11 11 THR HA H 11 4.360 4.360 4.363 -0.003 18531 45 1 . 1 1 11 11 THR CA C 11 62.000 62.000 62.089 -0.089 18531 46 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.502 0.298 18531 47 1 . 1 1 11 11 THR H H 11 8.790 8.790 7.872 0.918 18531 48 1 . 1 1 12 12 LEU N N 12 125.700 125.700 123.983 1.717 18531 49 1 . 1 1 12 12 LEU HA H 12 4.440 4.440 4.511 -0.071 18531 50 1 . 1 1 12 12 LEU CA C 12 55.000 55.000 54.856 0.144 18531 51 1 . 1 1 12 12 LEU CB C 12 43.300 43.300 43.515 -0.215 18531 52 1 . 1 1 12 12 LEU H H 12 7.580 7.580 7.811 -0.231 18531 53 1 . 1 1 13 13 LYS N N 13 123.500 123.500 124.672 -1.172 18531 54 1 . 1 1 13 13 LYS HA H 13 5.120 5.120 5.051 0.069 18531 55 1 . 1 1 13 13 LYS CA C 13 53.900 53.900 55.381 -1.481 18531 56 1 . 1 1 13 13 LYS CB C 13 34.800 34.800 34.832 -0.032 18531 57 1 . 1 1 13 13 LYS H H 13 8.140 8.140 8.452 -0.312 18531 58 1 . 1 1 14 14 GLY N N 14 109.100 109.100 110.441 -1.341 18531 59 1 . 1 1 14 14 GLY CA C 14 45.200 45.200 45.376 -0.176 18531 60 1 . 1 1 14 14 GLY H H 14 8.340 8.340 8.280 0.060 18531 61 1 . 1 1 15 15 GLU N N 15 118.200 118.200 119.205 -1.005 18531 62 1 . 1 1 15 15 GLU HA H 15 5.600 5.600 5.168 0.432 18531 63 1 . 1 1 15 15 GLU CA C 15 54.500 54.500 55.357 -0.857 18531 64 1 . 1 1 15 15 GLU CB C 15 33.800 33.800 33.374 0.426 18531 65 1 . 1 1 15 15 GLU H H 15 8.390 8.390 8.447 -0.057 18531 66 1 . 1 1 16 16 THR N N 16 115.600 115.600 116.549 -0.949 18531 67 1 . 1 1 16 16 THR HA H 16 4.730 4.730 4.656 0.074 18531 68 1 . 1 1 16 16 THR CA C 16 60.600 60.600 61.198 -0.598 18531 69 1 . 1 1 16 16 THR CB C 16 69.500 69.500 69.775 -0.275 18531 70 1 . 1 1 16 16 THR H H 16 8.820 8.820 8.490 0.330 18531 71 1 . 1 1 17 17 THR N N 17 111.800 111.800 115.740 -3.940 18531 72 1 . 1 1 17 17 THR HA H 17 5.790 5.790 5.355 0.435 18531 73 1 . 1 1 17 17 THR CA C 17 59.800 59.800 60.486 -0.686 18531 74 1 . 1 1 17 17 THR CB C 17 73.100 73.100 71.635 1.465 18531 75 1 . 1 1 17 17 THR H H 17 8.140 8.140 8.299 -0.159 18531 76 1 . 1 1 18 18 THR N N 18 115.100 115.100 115.342 -0.242 18531 77 1 . 1 1 18 18 THR HA H 18 4.640 4.640 4.579 0.061 18531 78 1 . 1 1 18 18 THR CA C 18 61.900 61.900 61.310 0.590 18531 79 1 . 1 1 18 18 THR CB C 18 70.000 70.000 70.150 -0.150 18531 80 1 . 1 1 18 18 THR H H 18 8.930 8.930 8.651 0.279 18531 81 1 . 1 1 19 19 LYS N N 19 124.300 124.300 122.076 2.224 18531 82 1 . 1 1 19 19 LYS HA H 19 5.330 5.330 4.910 0.420 18531 83 1 . 1 1 19 19 LYS CA C 19 55.000 55.000 55.331 -0.331 18531 84 1 . 1 1 19 19 LYS CB C 19 33.800 33.800 34.223 -0.423 18531 85 1 . 1 1 19 19 LYS H H 19 7.950 7.950 8.318 -0.368 18531 86 1 . 1 1 20 20 ALA N N 20 124.600 124.600 125.909 -1.309 18531 87 1 . 1 1 20 20 ALA HA H 20 4.780 4.780 4.631 0.149 18531 88 1 . 1 1 20 20 ALA CA C 20 50.900 50.900 51.460 -0.560 18531 89 1 . 1 1 20 20 ALA CB C 20 23.800 23.800 21.465 2.335 18531 90 1 . 1 1 20 20 ALA H H 20 9.110 9.110 8.254 0.856 18531 91 1 . 1 1 21 21 VAL N N 21 115.300 115.300 117.458 -2.158 18531 92 1 . 1 1 21 21 VAL HA H 21 4.110 4.110 3.993 0.117 18531 93 1 . 1 1 21 21 VAL CA C 21 63.300 63.300 64.177 -0.877 18531 94 1 . 1 1 21 21 VAL CB C 21 32.200 32.200 31.686 0.514 18531 95 1 . 1 1 21 21 VAL H H 21 8.480 8.480 8.484 -0.004 18531 96 1 . 1 1 22 22 ASP N N 22 115.200 115.200 114.963 0.237 18531 97 1 . 1 1 22 22 ASP HA H 22 4.710 4.710 4.834 -0.124 18531 98 1 . 1 1 22 22 ASP CA C 22 52.400 52.400 52.927 -0.527 18531 99 1 . 1 1 22 22 ASP CB C 22 42.200 42.200 42.221 -0.021 18531 100 1 . 1 1 22 22 ASP H H 22 7.310 7.310 7.622 -0.312 18531 101 1 . 1 1 23 23 ALA N N 23 121.000 121.000 123.163 -2.163 18531 102 1 . 1 1 23 23 ALA HA H 23 3.340 3.340 3.627 -0.287 18531 103 1 . 1 1 23 23 ALA CA C 23 54.900 54.900 55.034 -0.134 18531 104 1 . 1 1 23 23 ALA CB C 23 17.500 17.500 18.539 -1.039 18531 105 1 . 1 1 23 23 ALA H H 23 8.370 8.370 8.731 -0.361 18531 106 1 . 1 1 24 24 GLU N N 24 118.900 118.900 118.551 0.349 18531 107 1 . 1 1 24 24 GLU HA H 24 3.860 3.860 3.917 -0.057 18531 108 1 . 1 1 24 24 GLU CA C 24 59.700 59.700 59.304 0.396 18531 109 1 . 1 1 24 24 GLU CB C 24 29.100 29.100 28.891 0.209 18531 110 1 . 1 1 24 24 GLU H H 24 8.410 8.410 8.504 -0.094 18531 111 1 . 1 1 25 25 THR N N 25 117.400 117.400 115.046 2.354 18531 112 1 . 1 1 25 25 THR HA H 25 3.670 3.670 4.051 -0.381 18531 113 1 . 1 1 25 25 THR CA C 25 66.800 66.800 65.341 1.460 18531 114 1 . 1 1 25 25 THR CB C 25 68.000 68.000 68.675 -0.675 18531 115 1 . 1 1 25 25 THR H H 25 8.380 8.380 8.043 0.337 18531 116 1 . 1 1 26 26 ALA N N 26 125.100 125.100 123.810 1.290 18531 117 1 . 1 1 26 26 ALA HA H 26 3.190 3.190 3.769 -0.579 18531 118 1 . 1 1 26 26 ALA CA C 26 55.000 55.000 54.549 0.451 18531 119 1 . 1 1 26 26 ALA CB C 26 17.300 17.300 17.797 -0.497 18531 120 1 . 1 1 26 26 ALA H H 26 7.220 7.220 7.707 -0.487 18531 121 1 . 1 1 27 27 GLU N N 27 117.400 117.400 118.642 -1.242 18531 122 1 . 1 1 27 27 GLU HA H 27 2.590 2.590 3.781 -1.191 18531 123 1 . 1 1 27 27 GLU CA C 27 59.700 59.700 59.647 0.053 18531 124 1 . 1 1 27 27 GLU CB C 27 29.200 29.200 29.360 -0.160 18531 125 1 . 1 1 27 27 GLU H H 27 8.370 8.370 8.184 0.186 18531 126 1 . 1 1 28 28 LYS N N 28 116.300 116.300 118.631 -2.331 18531 127 1 . 1 1 28 28 LYS HA H 28 3.670 3.670 3.917 -0.247 18531 128 1 . 1 1 28 28 LYS CA C 28 59.600 59.600 59.064 0.536 18531 129 1 . 1 1 28 28 LYS CB C 28 32.200 32.200 32.097 0.103 18531 130 1 . 1 1 28 28 LYS H H 28 7.170 7.170 7.524 -0.354 18531 131 1 . 1 1 29 29 ALA N N 29 122.000 122.000 121.629 0.371 18531 132 1 . 1 1 29 29 ALA HA H 29 4.090 4.090 4.067 0.023 18531 133 1 . 1 1 29 29 ALA CA C 29 54.700 54.700 54.580 0.120 18531 134 1 . 1 1 29 29 ALA CB C 29 17.500 17.500 18.167 -0.667 18531 135 1 . 1 1 29 29 ALA H H 29 7.200 7.200 7.319 -0.119 18531 136 1 . 1 1 30 30 PHE N N 30 119.600 119.600 117.624 1.976 18531 137 1 . 1 1 30 30 PHE HA H 30 4.780 4.780 4.272 0.508 18531 138 1 . 1 1 30 30 PHE CA C 30 56.600 56.600 60.223 -3.623 18531 139 1 . 1 1 30 30 PHE CB C 30 37.400 37.400 38.499 -1.099 18531 140 1 . 1 1 30 30 PHE H H 30 8.610 8.610 7.990 0.620 18531 141 1 . 1 1 31 31 LYS N N 31 122.800 122.800 118.439 4.361 18531 142 1 . 1 1 31 31 LYS HA H 31 4.090 4.090 3.874 0.216 18531 143 1 . 1 1 31 31 LYS CA C 31 59.700 59.700 59.097 0.603 18531 144 1 . 1 1 31 31 LYS CB C 31 31.600 31.600 31.775 -0.175 18531 145 1 . 1 1 31 31 LYS H H 31 9.030 9.030 8.086 0.944 18531 146 1 . 1 1 32 32 GLN N N 32 119.600 119.600 118.742 0.858 18531 147 1 . 1 1 32 32 GLN HA H 32 4.030 4.030 4.083 -0.053 18531 148 1 . 1 1 32 32 GLN CA C 32 58.700 58.700 58.916 -0.216 18531 149 1 . 1 1 32 32 GLN CB C 32 28.100 28.100 28.663 -0.563 18531 150 1 . 1 1 32 32 GLN H H 32 7.510 7.510 7.902 -0.392 18531 151 1 . 1 1 33 33 TYR N N 33 120.400 120.400 120.426 -0.026 18531 152 1 . 1 1 33 33 TYR HA H 33 4.250 4.250 4.282 -0.032 18531 153 1 . 1 1 33 33 TYR CA C 33 61.800 61.800 60.945 0.855 18531 154 1 . 1 1 33 33 TYR CB C 33 38.700 38.700 38.538 0.162 18531 155 1 . 1 1 33 33 TYR H H 33 8.080 8.080 7.867 0.213 18531 156 1 . 1 1 34 34 ALA N N 34 122.300 122.300 121.243 1.057 18531 157 1 . 1 1 34 34 ALA HA H 34 3.780 3.780 3.965 -0.185 18531 158 1 . 1 1 34 34 ALA CA C 34 56.100 56.100 55.324 0.776 18531 159 1 . 1 1 34 34 ALA CB C 34 17.700 17.700 18.483 -0.783 18531 160 1 . 1 1 34 34 ALA H H 34 9.210 9.210 8.070 1.140 18531 161 1 . 1 1 35 35 ASN N N 35 117.700 117.700 117.065 0.635 18531 162 1 . 1 1 35 35 ASN HA H 35 4.460 4.460 4.488 -0.028 18531 163 1 . 1 1 35 35 ASN CA C 35 57.000 57.000 55.823 1.177 18531 164 1 . 1 1 35 35 ASN CB C 35 39.000 39.000 38.121 0.879 18531 165 1 . 1 1 35 35 ASN H H 35 8.390 8.390 8.182 0.208 18531 166 1 . 1 1 36 36 ASP N N 36 121.100 121.100 120.059 1.041 18531 167 1 . 1 1 36 36 ASP HA H 36 4.360 4.360 4.491 -0.131 18531 168 1 . 1 1 36 36 ASP CA C 36 56.700 56.700 56.341 0.359 18531 169 1 . 1 1 36 36 ASP CB C 36 40.000 40.000 40.679 -0.679 18531 170 1 . 1 1 36 36 ASP H H 36 8.830 8.830 8.276 0.554 18531 171 1 . 1 1 37 37 ASN N N 37 115.200 115.200 115.384 -0.184 18531 172 1 . 1 1 37 37 ASN HA H 37 4.610 4.610 4.760 -0.150 18531 173 1 . 1 1 37 37 ASN CA C 37 53.700 53.700 52.831 0.869 18531 174 1 . 1 1 37 37 ASN CB C 37 40.000 40.000 39.119 0.881 18531 175 1 . 1 1 37 37 ASN H H 37 7.390 7.390 7.619 -0.229 18531 176 1 . 1 1 38 38 GLY N N 38 108.200 108.200 108.397 -0.197 18531 177 1 . 1 1 38 38 GLY CA C 38 46.400 46.400 45.829 0.571 18531 178 1 . 1 1 38 38 GLY H H 38 7.800 7.800 7.969 -0.169 18531 179 1 . 1 1 39 39 VAL N N 39 120.800 120.800 120.354 0.446 18531 180 1 . 1 1 39 39 VAL HA H 39 4.140 4.140 4.217 -0.077 18531 181 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.874 -0.174 18531 182 1 . 1 1 39 39 VAL CB C 39 33.300 33.300 32.528 0.772 18531 183 1 . 1 1 39 39 VAL H H 39 8.120 8.120 8.016 0.104 18531 184 1 . 1 1 40 40 ASP N N 40 128.000 128.000 126.509 1.491 18531 185 1 . 1 1 40 40 ASP HA H 40 4.890 4.890 4.926 -0.036 18531 186 1 . 1 1 40 40 ASP CA C 40 52.800 52.800 53.176 -0.376 18531 187 1 . 1 1 40 40 ASP CB C 40 43.100 43.100 44.138 -1.038 18531 188 1 . 1 1 40 40 ASP H H 40 8.770 8.770 8.326 0.444 18531 189 1 . 1 1 41 41 GLY N N 41 107.100 107.100 109.517 -2.417 18531 190 1 . 1 1 41 41 GLY CA C 41 45.400 45.400 45.191 0.209 18531 191 1 . 1 1 41 41 GLY H H 41 7.910 7.910 8.193 -0.283 18531 192 1 . 1 1 42 42 VAL N N 42 120.300 120.300 121.163 -0.863 18531 193 1 . 1 1 42 42 VAL HA H 42 4.380 4.380 4.415 -0.035 18531 194 1 . 1 1 42 42 VAL CA C 42 62.100 62.100 61.415 0.685 18531 195 1 . 1 1 42 42 VAL CB C 42 33.400 33.400 33.021 0.379 18531 196 1 . 1 1 42 42 VAL H H 42 8.250 8.250 8.049 0.201 18531 197 1 . 1 1 43 43 TRP N N 43 130.700 130.700 127.219 3.481 18531 198 1 . 1 1 43 43 TRP HA H 43 5.360 5.360 5.305 0.055 18531 199 1 . 1 1 43 43 TRP CA C 43 57.600 57.600 56.127 1.473 18531 200 1 . 1 1 43 43 TRP CB C 43 30.200 30.200 31.113 -0.913 18531 201 1 . 1 1 43 43 TRP H H 43 9.360 9.360 8.582 0.778 18531 202 1 . 1 1 44 44 THR N N 44 114.500 114.500 116.725 -2.225 18531 203 1 . 1 1 44 44 THR HA H 44 4.830 4.830 4.727 0.103 18531 204 1 . 1 1 44 44 THR CA C 44 60.300 60.300 61.094 -0.794 18531 205 1 . 1 1 44 44 THR CB C 44 72.100 72.100 70.651 1.449 18531 206 1 . 1 1 44 44 THR H H 44 9.400 9.400 8.557 0.843 18531 207 1 . 1 1 45 45 TYR N N 45 120.100 120.100 124.232 -4.132 18531 208 1 . 1 1 45 45 TYR HA H 45 4.970 4.970 4.772 0.198 18531 209 1 . 1 1 45 45 TYR CA C 45 57.000 57.000 56.255 0.745 18531 210 1 . 1 1 45 45 TYR CB C 45 41.600 41.600 40.633 0.967 18531 211 1 . 1 1 45 45 TYR H H 45 8.580 8.580 8.363 0.217 18531 212 1 . 1 1 46 46 ASP N N 46 128.300 128.300 125.425 2.875 18531 213 1 . 1 1 46 46 ASP HA H 46 4.580 4.580 4.463 0.117 18531 214 1 . 1 1 46 46 ASP CA C 46 51.900 51.900 51.914 -0.014 18531 215 1 . 1 1 46 46 ASP CB C 46 43.100 43.100 43.136 -0.036 18531 216 1 . 1 1 46 46 ASP H H 46 7.580 7.580 8.156 -0.576 18531 217 1 . 1 1 47 47 ASP N N 47 124.800 124.800 124.900 -0.100 18531 218 1 . 1 1 47 47 ASP HA H 47 4.110 4.110 4.452 -0.342 18531 219 1 . 1 1 47 47 ASP CA C 47 56.500 56.500 56.092 0.407 18531 220 1 . 1 1 47 47 ASP CB C 47 42.100 42.100 40.708 1.392 18531 221 1 . 1 1 47 47 ASP H H 47 8.590 8.590 8.333 0.257 18531 222 1 . 1 1 48 48 ALA N N 48 119.700 119.700 121.924 -2.224 18531 223 1 . 1 1 48 48 ALA HA H 48 4.090 4.090 4.200 -0.110 18531 224 1 . 1 1 48 48 ALA CA C 48 55.000 55.000 54.125 0.875 18531 225 1 . 1 1 48 48 ALA CB C 48 18.300 18.300 19.280 -0.980 18531 226 1 . 1 1 48 48 ALA H H 48 8.340 8.340 7.987 0.353 18531 227 1 . 1 1 49 49 THR N N 49 103.200 103.200 110.617 -7.417 18531 228 1 . 1 1 49 49 THR HA H 49 4.390 4.390 4.460 -0.070 18531 229 1 . 1 1 49 49 THR CA C 49 60.200 60.200 60.708 -0.508 18531 230 1 . 1 1 49 49 THR CB C 49 70.000 70.000 69.468 0.532 18531 231 1 . 1 1 49 49 THR H H 49 7.000 7.000 7.841 -0.841 18531 232 1 . 1 1 50 50 LYS N N 50 123.100 123.100 119.151 3.949 18531 233 1 . 1 1 50 50 LYS HA H 50 4.190 4.190 4.357 -0.167 18531 234 1 . 1 1 50 50 LYS CA C 50 56.600 56.600 56.960 -0.360 18531 235 1 . 1 1 50 50 LYS CB C 50 28.600 28.600 30.908 -2.308 18531 236 1 . 1 1 50 50 LYS H H 50 7.860 7.860 8.047 -0.187 18531 237 1 . 1 1 51 51 THR N N 51 111.200 111.200 115.578 -4.378 18531 238 1 . 1 1 51 51 THR HA H 51 5.490 5.490 4.942 0.548 18531 239 1 . 1 1 51 51 THR CA C 51 62.300 62.300 62.003 0.297 18531 240 1 . 1 1 51 51 THR CB C 51 72.100 72.100 70.759 1.341 18531 241 1 . 1 1 51 51 THR H H 51 7.390 7.390 7.642 -0.252 18531 242 1 . 1 1 52 52 PHE N N 52 131.000 131.000 126.950 4.050 18531 243 1 . 1 1 52 52 PHE HA H 52 5.630 5.630 5.268 0.362 18531 244 1 . 1 1 52 52 PHE CA C 52 57.300 57.300 56.181 1.119 18531 245 1 . 1 1 52 52 PHE CB C 52 42.600 42.600 41.687 0.913 18531 246 1 . 1 1 52 52 PHE H H 52 10.390 10.390 9.020 1.370 18531 247 1 . 1 1 53 53 THR N N 53 117.400 117.400 118.142 -0.742 18531 248 1 . 1 1 53 53 THR HA H 53 5.270 5.270 4.844 0.426 18531 249 1 . 1 1 53 53 THR CA C 53 61.200 61.200 61.662 -0.462 18531 250 1 . 1 1 53 53 THR CB C 53 71.000 71.000 70.927 0.073 18531 251 1 . 1 1 53 53 THR H H 53 9.180 9.180 8.625 0.555 18531 252 1 . 1 1 54 54 VAL N N 54 123.000 123.000 126.291 -3.291 18531 253 1 . 1 1 54 54 VAL HA H 54 4.460 4.460 4.249 0.211 18531 254 1 . 1 1 54 54 VAL CA C 54 58.100 58.100 59.663 -1.563 18531 255 1 . 1 1 54 54 VAL CB C 54 32.300 32.300 33.460 -1.160 18531 256 1 . 1 1 54 54 VAL H H 54 8.280 8.280 8.332 -0.052 18531 257 1 . 1 1 55 55 THR N N 55 123.900 123.900 123.519 0.381 18531 258 1 . 1 1 55 55 THR HA H 55 4.700 4.700 4.635 0.065 18531 259 1 . 1 1 55 55 THR CA C 55 61.200 61.200 60.803 0.397 18531 260 1 . 1 1 55 55 THR CB C 55 70.700 70.700 70.274 0.426 18531 261 1 . 1 1 55 55 THR H H 55 8.320 8.320 8.131 0.189 18531 stop_ save_