data_18156 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18156 _Entry.PDB_ID 2LNA 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 18156 _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 GLY CA C 2 43.500 43.500 46.046 -2.546 18156 2 1 1 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.578 0.012 18156 3 1 1 . 1 1 10 10 HIS C C 10 175.500 175.500 176.086 -0.586 18156 4 1 1 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.395 1.105 18156 5 1 1 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.246 -0.046 18156 6 1 1 . 1 1 11 11 MET N N 11 120.900 120.900 123.411 -2.511 18156 7 1 1 . 1 1 11 11 MET HA H 11 4.290 4.290 4.374 -0.084 18156 8 1 1 . 1 1 11 11 MET C C 11 176.300 176.300 176.246 0.054 18156 9 1 1 . 1 1 11 11 MET CA C 11 55.900 55.900 55.727 0.173 18156 10 1 1 . 1 1 11 11 MET CB C 11 32.700 32.700 32.533 0.167 18156 11 1 1 . 1 1 11 11 MET H H 11 8.210 8.210 8.630 -0.420 18156 12 1 1 . 1 1 12 12 LYS N N 12 122.100 122.100 126.907 -4.807 18156 13 1 1 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.028 0.102 18156 14 1 1 . 1 1 12 12 LYS C C 12 176.700 176.700 176.645 0.055 18156 15 1 1 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.137 0.663 18156 16 1 1 . 1 1 12 12 LYS CB C 12 32.800 32.800 30.262 2.538 18156 17 1 1 . 1 1 12 12 LYS H H 12 8.300 8.300 8.373 -0.073 18156 18 1 1 . 1 1 13 13 ARG N N 13 121.500 121.500 122.039 -0.539 18156 19 1 1 . 1 1 13 13 ARG HA H 13 4.270 4.270 3.575 0.695 18156 20 1 1 . 1 1 13 13 ARG C C 13 176.200 176.200 175.454 0.746 18156 21 1 1 . 1 1 13 13 ARG CA C 13 56.200 56.200 58.496 -2.296 18156 22 1 1 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.323 2.478 18156 23 1 1 . 1 1 13 13 ARG H H 13 8.160 8.160 8.752 -0.592 18156 24 1 1 . 1 1 14 14 SER N N 14 116.700 116.700 111.502 5.198 18156 25 1 1 . 1 1 14 14 SER HA H 14 4.530 4.530 4.567 -0.037 18156 26 1 1 . 1 1 14 14 SER C C 14 173.600 173.600 174.214 -0.614 18156 27 1 1 . 1 1 14 14 SER CA C 14 58.300 58.300 58.834 -0.534 18156 28 1 1 . 1 1 14 14 SER CB C 14 64.100 64.100 64.498 -0.398 18156 29 1 1 . 1 1 14 14 SER H H 14 8.160 8.160 8.188 -0.028 18156 30 1 1 . 1 1 15 15 GLY N N 15 109.300 109.300 110.867 -1.567 18156 31 1 1 . 1 1 15 15 GLY C C 15 173.000 173.000 172.778 0.222 18156 32 1 1 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.672 -0.972 18156 33 1 1 . 1 1 15 15 GLY H H 15 8.100 8.100 7.889 0.211 18156 34 1 1 . 1 1 16 16 ARG N N 16 122.300 122.300 124.257 -1.957 18156 35 1 1 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.635 -0.105 18156 36 1 1 . 1 1 16 16 ARG C C 16 173.200 173.200 174.663 -1.463 18156 37 1 1 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.008 0.292 18156 38 1 1 . 1 1 16 16 ARG CB C 16 32.900 32.900 32.181 0.719 18156 39 1 1 . 1 1 16 16 ARG H H 16 8.460 8.460 8.240 0.220 18156 40 1 1 . 1 1 17 17 GLU N N 17 126.800 126.800 127.280 -0.480 18156 41 1 1 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.515 -0.295 18156 42 1 1 . 1 1 17 17 GLU C C 17 177.000 177.000 175.933 1.067 18156 43 1 1 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.851 -0.851 18156 44 1 1 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.532 0.569 18156 45 1 1 . 1 1 17 17 GLU H H 17 8.190 8.190 8.482 -0.292 18156 46 1 1 . 1 1 18 18 ILE N N 18 122.600 122.600 122.892 -0.292 18156 47 1 1 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.732 0.228 18156 48 1 1 . 1 1 18 18 ILE C C 18 174.600 174.600 174.188 0.412 18156 49 1 1 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.024 0.176 18156 50 1 1 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.200 0.700 18156 51 1 1 . 1 1 18 18 ILE H H 18 8.870 8.870 8.451 0.419 18156 52 1 1 . 1 1 19 19 THR N N 19 108.700 108.700 113.651 -4.951 18156 53 1 1 . 1 1 19 19 THR HA H 19 4.760 4.760 4.589 0.171 18156 54 1 1 . 1 1 19 19 THR C C 19 175.400 175.400 175.728 -0.328 18156 55 1 1 . 1 1 19 19 THR CA C 19 59.800 59.800 59.157 0.643 18156 56 1 1 . 1 1 19 19 THR CB C 19 72.100 72.100 70.632 1.468 18156 57 1 1 . 1 1 19 19 THR H H 19 8.140 8.140 8.114 0.026 18156 58 1 1 . 1 1 20 20 TRP N N 20 121.900 121.900 127.025 -5.125 18156 59 1 1 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.965 -0.065 18156 60 1 1 . 1 1 20 20 TRP C C 20 176.600 176.600 177.010 -0.410 18156 61 1 1 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.753 -0.753 18156 62 1 1 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.524 -0.225 18156 63 1 1 . 1 1 20 20 TRP H H 20 9.060 9.060 8.920 0.140 18156 64 1 1 . 1 1 21 21 LYS N N 21 116.900 116.900 118.493 -1.593 18156 65 1 1 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.767 -0.107 18156 66 1 1 . 1 1 21 21 LYS C C 21 178.200 178.200 177.902 0.298 18156 67 1 1 . 1 1 21 21 LYS CA C 21 59.700 59.700 60.023 -0.323 18156 68 1 1 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.803 0.397 18156 69 1 1 . 1 1 21 21 LYS H H 21 8.320 8.320 7.933 0.387 18156 70 1 1 . 1 1 22 22 ASP N N 22 119.000 119.000 118.971 0.029 18156 71 1 1 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.330 -0.060 18156 72 1 1 . 1 1 22 22 ASP C C 22 178.500 178.500 178.182 0.318 18156 73 1 1 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.148 -0.148 18156 74 1 1 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.555 0.745 18156 75 1 1 . 1 1 22 22 ASP H H 22 7.670 7.670 7.656 0.014 18156 76 1 1 . 1 1 23 23 PHE N N 23 120.000 120.000 121.167 -1.167 18156 77 1 1 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.361 -0.111 18156 78 1 1 . 1 1 23 23 PHE C C 23 177.500 177.500 177.111 0.389 18156 79 1 1 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.942 -0.142 18156 80 1 1 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.773 -1.173 18156 81 1 1 . 1 1 23 23 PHE H H 23 8.430 8.430 8.067 0.363 18156 82 1 1 . 1 1 24 24 VAL N N 24 120.700 120.700 118.515 2.185 18156 83 1 1 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.801 -0.071 18156 84 1 1 . 1 1 24 24 VAL C C 24 178.200 178.200 177.929 0.271 18156 85 1 1 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.270 0.630 18156 86 1 1 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.419 1.681 18156 87 1 1 . 1 1 24 24 VAL H H 24 8.250 8.250 7.786 0.464 18156 88 1 1 . 1 1 25 25 ASN N N 25 116.700 116.700 118.044 -1.344 18156 89 1 1 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.431 -0.231 18156 90 1 1 . 1 1 25 25 ASN C C 25 176.200 176.200 177.296 -1.096 18156 91 1 1 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.373 0.627 18156 92 1 1 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.215 0.485 18156 93 1 1 . 1 1 25 25 ASN H H 25 8.260 8.260 7.687 0.573 18156 94 1 1 . 1 1 26 26 ASN N N 26 112.300 112.300 115.325 -3.025 18156 95 1 1 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.510 0.090 18156 96 1 1 . 1 1 26 26 ASN C C 26 174.500 174.500 175.106 -0.606 18156 97 1 1 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.367 -0.767 18156 98 1 1 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.869 -0.069 18156 99 1 1 . 1 1 26 26 ASN H H 26 8.490 8.490 7.919 0.571 18156 100 1 1 . 1 1 27 27 TYR N N 27 113.700 113.700 117.177 -3.477 18156 101 1 1 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.624 0.206 18156 102 1 1 . 1 1 27 27 TYR C C 27 176.500 176.500 176.661 -0.161 18156 103 1 1 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.123 -0.923 18156 104 1 1 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.780 0.520 18156 105 1 1 . 1 1 27 27 TYR H H 27 7.000 7.000 7.460 -0.460 18156 106 1 1 . 1 1 28 28 LEU N N 28 122.700 122.700 121.276 1.424 18156 107 1 1 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.772 0.058 18156 108 1 1 . 1 1 28 28 LEU C C 28 179.700 179.700 178.785 0.915 18156 109 1 1 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.653 0.647 18156 110 1 1 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.486 -0.086 18156 111 1 1 . 1 1 28 28 LEU H H 28 8.180 8.180 7.971 0.209 18156 112 1 1 . 1 1 29 29 SER N N 29 109.300 109.300 114.361 -5.061 18156 113 1 1 . 1 1 29 29 SER HA H 29 4.120 4.120 4.158 -0.038 18156 114 1 1 . 1 1 29 29 SER C C 29 174.000 174.000 175.606 -1.606 18156 115 1 1 . 1 1 29 29 SER CA C 29 60.300 60.300 60.904 -0.604 18156 116 1 1 . 1 1 29 29 SER CB C 29 63.100 63.100 62.879 0.221 18156 117 1 1 . 1 1 29 29 SER H H 29 7.940 7.940 8.182 -0.242 18156 118 1 1 . 1 1 30 30 LYS N N 30 117.200 117.200 119.983 -2.783 18156 119 1 1 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.334 0.126 18156 120 1 1 . 1 1 30 30 LYS C C 30 177.200 177.200 177.160 0.040 18156 121 1 1 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.309 -0.509 18156 122 1 1 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.063 0.937 18156 123 1 1 . 1 1 30 30 LYS H H 30 6.680 6.680 7.284 -0.604 18156 124 1 1 . 1 1 31 31 GLY N N 31 107.100 107.100 107.853 -0.753 18156 125 1 1 . 1 1 31 31 GLY C C 31 175.700 175.700 175.444 0.256 18156 126 1 1 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.208 1.192 18156 127 1 1 . 1 1 31 31 GLY H H 31 7.660 7.660 7.751 -0.091 18156 128 1 1 . 1 1 32 32 VAL N N 32 107.300 107.300 112.234 -4.934 18156 129 1 1 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.313 0.317 18156 130 1 1 . 1 1 32 32 VAL C C 32 174.800 174.800 175.506 -0.706 18156 131 1 1 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.332 -1.532 18156 132 1 1 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.345 -0.245 18156 133 1 1 . 1 1 32 32 VAL H H 32 6.910 6.910 7.413 -0.503 18156 134 1 1 . 1 1 33 33 VAL N N 33 122.000 122.000 120.245 1.755 18156 135 1 1 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.234 -0.234 18156 136 1 1 . 1 1 33 33 VAL C C 33 174.500 174.500 175.315 -0.815 18156 137 1 1 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.682 1.618 18156 138 1 1 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.055 0.045 18156 139 1 1 . 1 1 33 33 VAL H H 33 8.180 8.180 7.481 0.699 18156 140 1 1 . 1 1 34 34 ASP N N 34 128.200 128.200 126.242 1.958 18156 141 1 1 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.587 0.173 18156 142 1 1 . 1 1 34 34 ASP C C 34 175.400 175.400 175.390 0.010 18156 143 1 1 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.589 -1.289 18156 144 1 1 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.020 0.580 18156 145 1 1 . 1 1 34 34 ASP H H 34 9.150 9.150 8.828 0.322 18156 146 1 1 . 1 1 35 35 ARG N N 35 112.200 112.200 113.444 -1.244 18156 147 1 1 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.645 -0.025 18156 148 1 1 . 1 1 35 35 ARG C C 35 172.900 172.900 173.851 -0.951 18156 149 1 1 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.942 0.358 18156 150 1 1 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.105 -0.006 18156 151 1 1 . 1 1 35 35 ARG H H 35 7.440 7.440 7.386 0.054 18156 152 1 1 . 1 1 36 36 LEU N N 36 120.400 120.400 122.257 -1.857 18156 153 1 1 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.115 -0.095 18156 154 1 1 . 1 1 36 36 LEU C C 36 174.800 174.800 175.781 -0.981 18156 155 1 1 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.717 -0.717 18156 156 1 1 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.776 0.124 18156 157 1 1 . 1 1 36 36 LEU H H 36 8.410 8.410 8.665 -0.255 18156 158 1 1 . 1 1 37 37 GLU N N 37 120.800 120.800 124.639 -3.839 18156 159 1 1 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.795 0.135 18156 160 1 1 . 1 1 37 37 GLU C C 37 174.400 174.400 176.024 -1.624 18156 161 1 1 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.892 -1.592 18156 162 1 1 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.695 1.005 18156 163 1 1 . 1 1 37 37 GLU H H 37 8.470 8.470 8.464 0.006 18156 164 1 1 . 1 1 38 38 VAL N N 38 125.600 125.600 127.961 -2.361 18156 165 1 1 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.800 0.210 18156 166 1 1 . 1 1 38 38 VAL C C 38 175.500 175.500 174.588 0.912 18156 167 1 1 . 1 1 38 38 VAL CA C 38 61.400 61.400 62.111 -0.711 18156 168 1 1 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.939 -0.139 18156 169 1 1 . 1 1 38 38 VAL H H 38 9.130 9.130 8.693 0.437 18156 170 1 1 . 1 1 39 39 VAL N N 39 131.700 131.700 128.729 2.971 18156 171 1 1 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.838 0.342 18156 172 1 1 . 1 1 39 39 VAL C C 39 175.600 175.600 175.690 -0.090 18156 173 1 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.178 -0.478 18156 174 1 1 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.967 -0.167 18156 175 1 1 . 1 1 39 39 VAL H H 39 9.040 9.040 7.388 1.652 18156 176 1 1 . 1 1 40 40 ASN N N 40 125.000 125.000 123.580 1.420 18156 177 1 1 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.306 0.154 18156 178 1 1 . 1 1 40 40 ASN C C 40 173.300 173.300 174.948 -1.648 18156 179 1 1 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.514 -0.414 18156 180 1 1 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.105 -0.105 18156 181 1 1 . 1 1 40 40 ASN H H 40 9.060 9.060 8.259 0.801 18156 182 1 1 . 1 1 41 41 LYS N N 41 109.900 109.900 110.162 -0.262 18156 183 1 1 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.731 -0.491 18156 184 1 1 . 1 1 41 41 LYS C C 41 175.000 175.000 176.113 -1.113 18156 185 1 1 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.535 -0.235 18156 186 1 1 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.543 0.057 18156 187 1 1 . 1 1 41 41 LYS H H 41 9.250 9.250 7.703 1.547 18156 188 1 1 . 1 1 42 42 ARG N N 42 115.800 115.800 116.044 -0.244 18156 189 1 1 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.246 0.464 18156 190 1 1 . 1 1 42 42 ARG C C 42 174.900 174.900 176.724 -1.824 18156 191 1 1 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.718 -1.518 18156 192 1 1 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.498 2.702 18156 193 1 1 . 1 1 42 42 ARG H H 42 8.110 8.110 7.398 0.712 18156 194 1 1 . 1 1 43 43 PHE N N 43 115.100 115.100 112.256 2.844 18156 195 1 1 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.023 0.137 18156 196 1 1 . 1 1 43 43 PHE C C 43 171.200 171.200 172.869 -1.669 18156 197 1 1 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.943 -0.243 18156 198 1 1 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.411 -0.311 18156 199 1 1 . 1 1 43 43 PHE H H 43 7.610 7.610 7.425 0.185 18156 200 1 1 . 1 1 44 44 VAL N N 44 121.200 121.200 118.056 3.144 18156 201 1 1 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.079 0.511 18156 202 1 1 . 1 1 44 44 VAL C C 44 174.600 174.600 174.322 0.278 18156 203 1 1 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.531 -0.731 18156 204 1 1 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.324 -1.424 18156 205 1 1 . 1 1 44 44 VAL H H 44 9.030 9.030 8.533 0.497 18156 206 1 1 . 1 1 45 45 ARG N N 45 125.000 125.000 127.333 -2.333 18156 207 1 1 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.759 0.201 18156 208 1 1 . 1 1 45 45 ARG C C 45 175.400 175.400 175.217 0.183 18156 209 1 1 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.789 0.211 18156 210 1 1 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.912 1.288 18156 211 1 1 . 1 1 45 45 ARG H H 45 9.320 9.320 8.574 0.746 18156 212 1 1 . 1 1 46 46 VAL N N 46 127.200 127.200 129.159 -1.959 18156 213 1 1 . 1 1 46 46 VAL HA H 46 4.110 4.110 3.932 0.178 18156 214 1 1 . 1 1 46 46 VAL C C 46 174.700 174.700 174.815 -0.115 18156 215 1 1 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.617 -0.417 18156 216 1 1 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.353 1.747 18156 217 1 1 . 1 1 46 46 VAL H H 46 8.770 8.770 8.563 0.207 18156 218 1 1 . 1 1 47 47 THR N N 47 120.800 120.800 124.599 -3.799 18156 219 1 1 . 1 1 47 47 THR HA H 47 4.700 4.700 4.483 0.217 18156 220 1 1 . 1 1 47 47 THR C C 47 174.500 174.500 173.867 0.633 18156 221 1 1 . 1 1 47 47 THR CA C 47 61.300 61.300 62.448 -1.148 18156 222 1 1 . 1 1 47 47 THR CB C 47 69.800 69.800 69.514 0.286 18156 223 1 1 . 1 1 47 47 THR H H 47 8.110 8.110 8.159 -0.049 18156 224 1 1 . 1 1 48 48 PHE N N 48 125.700 125.700 126.190 -0.490 18156 225 1 1 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.864 0.486 18156 226 1 1 . 1 1 48 48 PHE C C 48 176.000 176.000 177.062 -1.062 18156 227 1 1 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.218 0.082 18156 228 1 1 . 1 1 48 48 PHE CB C 48 41.400 41.400 39.943 1.457 18156 229 1 1 . 1 1 48 48 PHE H H 48 9.000 9.000 8.161 0.839 18156 230 1 1 . 1 1 49 49 THR N N 49 118.900 118.900 116.303 2.597 18156 231 1 1 . 1 1 49 49 THR HA H 49 4.330 4.330 4.417 -0.087 18156 232 1 1 . 1 1 49 49 THR CA C 49 61.200 61.200 60.755 0.445 18156 233 1 1 . 1 1 49 49 THR CB C 49 69.400 69.400 68.528 0.872 18156 234 1 1 . 1 1 49 49 THR H H 49 8.620 8.620 8.702 -0.082 18156 235 1 1 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.119 0.241 18156 236 1 1 . 1 1 50 50 PRO C C 50 177.700 177.700 177.132 0.568 18156 237 1 1 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.414 0.086 18156 238 1 1 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.584 1.216 18156 239 1 1 . 1 1 51 51 GLY N N 51 111.300 111.300 112.332 -1.032 18156 240 1 1 . 1 1 51 51 GLY C C 51 175.200 175.200 175.100 0.100 18156 241 1 1 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.320 0.080 18156 242 1 1 . 1 1 51 51 GLY H H 51 8.880 8.880 8.235 0.645 18156 243 1 1 . 1 1 52 52 LYS N N 52 118.900 118.900 122.020 -3.120 18156 244 1 1 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.285 0.285 18156 245 1 1 . 1 1 52 52 LYS C C 52 175.800 175.800 177.158 -1.358 18156 246 1 1 . 1 1 52 52 LYS CA C 52 54.800 54.800 57.415 -2.615 18156 247 1 1 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.210 -0.610 18156 248 1 1 . 1 1 52 52 LYS H H 52 8.110 8.110 8.379 -0.269 18156 249 1 1 . 1 1 53 53 THR N N 53 114.700 114.700 111.611 3.089 18156 250 1 1 . 1 1 53 53 THR HA H 53 4.180 4.180 4.677 -0.497 18156 251 1 1 . 1 1 53 53 THR CA C 53 60.400 60.400 59.362 1.038 18156 252 1 1 . 1 1 53 53 THR CB C 53 69.100 69.100 70.368 -1.268 18156 253 1 1 . 1 1 53 53 THR H H 53 7.700 7.700 7.856 -0.156 18156 254 1 1 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.627 -0.217 18156 255 1 1 . 1 1 54 54 PRO C C 54 177.500 177.500 177.377 0.123 18156 256 1 1 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.336 0.864 18156 257 1 1 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.365 -0.065 18156 258 1 1 . 1 1 55 55 VAL N N 55 119.300 119.300 118.235 1.065 18156 259 1 1 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.565 0.435 18156 260 1 1 . 1 1 55 55 VAL C C 55 176.000 176.000 177.810 -1.810 18156 261 1 1 . 1 1 55 55 VAL CA C 55 63.300 63.300 65.860 -2.560 18156 262 1 1 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.517 0.883 18156 263 1 1 . 1 1 55 55 VAL H H 55 8.190 8.190 8.241 -0.051 18156 264 1 1 . 1 1 56 56 ASP N N 56 120.300 120.300 118.772 1.528 18156 265 1 1 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.233 0.337 18156 266 1 1 . 1 1 56 56 ASP C C 56 177.000 177.000 177.300 -0.300 18156 267 1 1 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.430 -1.130 18156 268 1 1 . 1 1 56 56 ASP CB C 56 40.700 40.700 39.752 0.949 18156 269 1 1 . 1 1 56 56 ASP H H 56 8.170 8.170 8.211 -0.041 18156 270 1 1 . 1 1 57 57 GLY N N 57 108.300 108.300 106.017 2.283 18156 271 1 1 . 1 1 57 57 GLY C C 57 173.700 173.700 174.094 -0.394 18156 272 1 1 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.140 0.660 18156 273 1 1 . 1 1 57 57 GLY H H 57 8.110 8.110 7.736 0.374 18156 274 1 1 . 1 1 58 58 GLN N N 58 118.900 118.900 116.293 2.607 18156 275 1 1 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.919 0.581 18156 276 1 1 . 1 1 58 58 GLN C C 58 175.700 175.700 175.015 0.685 18156 277 1 1 . 1 1 58 58 GLN CA C 58 56.200 56.200 56.252 -0.052 18156 278 1 1 . 1 1 58 58 GLN CB C 58 30.200 30.200 26.139 4.061 18156 279 1 1 . 1 1 58 58 GLN H H 58 8.070 8.070 7.482 0.588 18156 280 1 1 . 1 1 59 59 TYR N N 59 118.800 118.800 120.594 -1.794 18156 281 1 1 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.684 0.446 18156 282 1 1 . 1 1 59 59 TYR C C 59 177.500 177.500 176.308 1.192 18156 283 1 1 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.816 -2.116 18156 284 1 1 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.045 0.254 18156 285 1 1 . 1 1 59 59 TYR H H 59 8.110 8.110 8.741 -0.631 18156 286 1 1 . 1 1 60 60 VAL N N 60 115.600 115.600 113.954 1.646 18156 287 1 1 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.252 0.248 18156 288 1 1 . 1 1 60 60 VAL C C 60 174.700 174.700 175.078 -0.378 18156 289 1 1 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.954 0.046 18156 290 1 1 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.358 -0.358 18156 291 1 1 . 1 1 60 60 VAL H H 60 8.250 8.250 8.364 -0.114 18156 292 1 1 . 1 1 61 61 TRP N N 61 120.800 120.800 118.212 2.588 18156 293 1 1 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.468 0.452 18156 294 1 1 . 1 1 61 61 TRP C C 61 172.700 172.700 173.539 -0.839 18156 295 1 1 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.721 -0.721 18156 296 1 1 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.786 0.114 18156 297 1 1 . 1 1 61 61 TRP H H 61 8.500 8.500 8.585 -0.085 18156 298 1 1 . 1 1 62 62 PHE N N 62 112.100 112.100 114.420 -2.320 18156 299 1 1 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.777 0.263 18156 300 1 1 . 1 1 62 62 PHE C C 62 174.800 174.800 173.844 0.956 18156 301 1 1 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.562 -1.162 18156 302 1 1 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.158 0.742 18156 303 1 1 . 1 1 62 62 PHE H H 62 8.700 8.700 8.559 0.141 18156 304 1 1 . 1 1 63 63 ASN N N 63 120.800 120.800 120.418 0.382 18156 305 1 1 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.012 0.148 18156 306 1 1 . 1 1 63 63 ASN C C 63 175.800 175.800 175.634 0.166 18156 307 1 1 . 1 1 63 63 ASN CA C 63 54.100 54.100 54.217 -0.117 18156 308 1 1 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.355 1.245 18156 309 1 1 . 1 1 63 63 ASN H H 63 9.340 9.340 8.903 0.437 18156 310 1 1 . 1 1 64 64 ILE N N 64 113.400 113.400 118.260 -4.860 18156 311 1 1 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.540 0.110 18156 312 1 1 . 1 1 64 64 ILE C C 64 175.300 175.300 177.431 -2.131 18156 313 1 1 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.173 -1.073 18156 314 1 1 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.609 2.491 18156 315 1 1 . 1 1 64 64 ILE H H 64 7.820 7.820 7.897 -0.077 18156 316 1 1 . 1 1 65 65 GLY N N 65 110.700 110.700 110.524 0.176 18156 317 1 1 . 1 1 65 65 GLY C C 65 174.300 174.300 175.010 -0.710 18156 318 1 1 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.405 -0.605 18156 319 1 1 . 1 1 65 65 GLY H H 65 8.570 8.570 7.954 0.616 18156 320 1 1 . 1 1 66 66 SER N N 66 113.800 113.800 121.070 -7.270 18156 321 1 1 . 1 1 66 66 SER HA H 66 4.730 4.730 4.563 0.167 18156 322 1 1 . 1 1 66 66 SER C C 66 175.500 175.500 175.458 0.042 18156 323 1 1 . 1 1 66 66 SER CA C 66 56.800 56.800 57.533 -0.733 18156 324 1 1 . 1 1 66 66 SER CB C 66 64.500 64.500 62.962 1.538 18156 325 1 1 . 1 1 66 66 SER H H 66 7.680 7.680 8.003 -0.323 18156 326 1 1 . 1 1 67 67 VAL N N 67 127.000 127.000 125.489 1.511 18156 327 1 1 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.686 0.134 18156 328 1 1 . 1 1 67 67 VAL C C 67 176.700 176.700 177.154 -0.454 18156 329 1 1 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.432 0.168 18156 330 1 1 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.953 -0.253 18156 331 1 1 . 1 1 67 67 VAL H H 67 9.150 9.150 7.948 1.202 18156 332 1 1 . 1 1 68 68 ASP N N 68 118.800 118.800 118.044 0.756 18156 333 1 1 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.399 0.051 18156 334 1 1 . 1 1 68 68 ASP C C 68 178.700 178.700 178.064 0.636 18156 335 1 1 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.933 -0.633 18156 336 1 1 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.124 0.576 18156 337 1 1 . 1 1 68 68 ASP H H 68 8.320 8.320 8.601 -0.281 18156 338 1 1 . 1 1 69 69 THR N N 69 114.500 114.500 115.305 -0.805 18156 339 1 1 . 1 1 69 69 THR HA H 69 3.910 3.910 4.011 -0.101 18156 340 1 1 . 1 1 69 69 THR C C 69 175.500 175.500 176.356 -0.856 18156 341 1 1 . 1 1 69 69 THR CA C 69 65.600 65.600 66.129 -0.529 18156 342 1 1 . 1 1 69 69 THR CB C 69 68.900 68.900 68.280 0.620 18156 343 1 1 . 1 1 69 69 THR H H 69 7.710 7.710 8.083 -0.373 18156 344 1 1 . 1 1 70 70 PHE N N 70 122.800 122.800 122.137 0.663 18156 345 1 1 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.816 0.504 18156 346 1 1 . 1 1 70 70 PHE C C 70 176.000 176.000 176.898 -0.898 18156 347 1 1 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.304 -0.804 18156 348 1 1 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.850 0.250 18156 349 1 1 . 1 1 70 70 PHE H H 70 7.680 7.680 7.937 -0.257 18156 350 1 1 . 1 1 71 71 GLU N N 71 118.400 118.400 118.635 -0.235 18156 351 1 1 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.584 -0.214 18156 352 1 1 . 1 1 71 71 GLU C C 71 179.900 179.900 179.015 0.885 18156 353 1 1 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.642 0.558 18156 354 1 1 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.380 -0.180 18156 355 1 1 . 1 1 71 71 GLU H H 71 8.660 8.660 7.936 0.724 18156 356 1 1 . 1 1 72 72 ARG N N 72 119.500 119.500 118.730 0.770 18156 357 1 1 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.882 0.278 18156 358 1 1 . 1 1 72 72 ARG C C 72 179.200 179.200 178.642 0.558 18156 359 1 1 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.922 -0.822 18156 360 1 1 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.125 -0.025 18156 361 1 1 . 1 1 72 72 ARG H H 72 7.960 7.960 8.197 -0.237 18156 362 1 1 . 1 1 73 73 ASN N N 73 119.900 119.900 117.411 2.489 18156 363 1 1 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.490 0.020 18156 364 1 1 . 1 1 73 73 ASN C C 73 178.100 178.100 177.721 0.379 18156 365 1 1 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.673 -0.173 18156 366 1 1 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.974 -0.574 18156 367 1 1 . 1 1 73 73 ASN H H 73 8.610 8.610 7.909 0.701 18156 368 1 1 . 1 1 74 74 LEU N N 74 121.900 121.900 121.987 -0.087 18156 369 1 1 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.324 -0.074 18156 370 1 1 . 1 1 74 74 LEU C C 74 179.100 179.100 178.114 0.986 18156 371 1 1 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.443 -0.143 18156 372 1 1 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.759 0.041 18156 373 1 1 . 1 1 74 74 LEU H H 74 8.720 8.720 8.128 0.592 18156 374 1 1 . 1 1 75 75 GLU N N 75 120.700 120.700 117.692 3.008 18156 375 1 1 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.057 0.053 18156 376 1 1 . 1 1 75 75 GLU C C 75 178.900 178.900 179.256 -0.356 18156 377 1 1 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.210 0.690 18156 378 1 1 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.791 0.508 18156 379 1 1 . 1 1 75 75 GLU H H 75 8.070 8.070 8.435 -0.365 18156 380 1 1 . 1 1 76 76 THR N N 76 115.700 115.700 117.507 -1.807 18156 381 1 1 . 1 1 76 76 THR HA H 76 4.000 4.000 4.029 -0.029 18156 382 1 1 . 1 1 76 76 THR C C 76 176.600 176.600 176.621 -0.021 18156 383 1 1 . 1 1 76 76 THR CA C 76 66.500 66.500 66.234 0.266 18156 384 1 1 . 1 1 76 76 THR CB C 76 69.000 69.000 68.794 0.206 18156 385 1 1 . 1 1 76 76 THR H H 76 8.400 8.400 7.718 0.682 18156 386 1 1 . 1 1 77 77 LEU N N 77 122.200 122.200 122.926 -0.726 18156 387 1 1 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.350 -0.090 18156 388 1 1 . 1 1 77 77 LEU C C 77 179.200 179.200 178.977 0.223 18156 389 1 1 . 1 1 77 77 LEU CA C 77 57.300 57.300 57.962 -0.661 18156 390 1 1 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.667 0.233 18156 391 1 1 . 1 1 77 77 LEU H H 77 8.330 8.330 8.370 -0.040 18156 392 1 1 . 1 1 78 78 GLN N N 78 115.700 115.700 117.264 -1.564 18156 393 1 1 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.890 -0.010 18156 394 1 1 . 1 1 78 78 GLN C C 78 177.600 177.600 178.294 -0.694 18156 395 1 1 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.399 1.901 18156 396 1 1 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.520 0.879 18156 397 1 1 . 1 1 78 78 GLN H H 78 8.200 8.200 8.353 -0.153 18156 398 1 1 . 1 1 79 79 GLN N N 79 118.400 118.400 118.599 -0.199 18156 399 1 1 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.106 0.034 18156 400 1 1 . 1 1 79 79 GLN C C 79 180.000 180.000 178.450 1.550 18156 401 1 1 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.321 0.880 18156 402 1 1 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.381 -0.181 18156 403 1 1 . 1 1 79 79 GLN H H 79 7.980 7.980 7.678 0.302 18156 404 1 1 . 1 1 80 80 GLU N N 80 121.700 121.700 121.139 0.561 18156 405 1 1 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.110 -0.060 18156 406 1 1 . 1 1 80 80 GLU C C 80 178.800 178.800 178.424 0.376 18156 407 1 1 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.586 0.714 18156 408 1 1 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.775 -0.175 18156 409 1 1 . 1 1 80 80 GLU H H 80 8.400 8.400 8.060 0.340 18156 410 1 1 . 1 1 81 81 LEU N N 81 117.200 117.200 117.031 0.169 18156 411 1 1 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.303 -0.003 18156 412 1 1 . 1 1 81 81 LEU C C 81 177.400 177.400 177.494 -0.094 18156 413 1 1 . 1 1 81 81 LEU CA C 81 55.100 55.100 54.920 0.180 18156 414 1 1 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.075 0.725 18156 415 1 1 . 1 1 81 81 LEU H H 81 8.120 8.120 7.832 0.288 18156 416 1 1 . 1 1 82 82 GLY N N 82 108.900 108.900 107.169 1.731 18156 417 1 1 . 1 1 82 82 GLY C C 82 174.600 174.600 174.923 -0.323 18156 418 1 1 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.401 0.899 18156 419 1 1 . 1 1 82 82 GLY H H 82 7.840 7.840 7.429 0.411 18156 420 1 1 . 1 1 83 83 ILE N N 83 121.900 121.900 122.631 -0.731 18156 421 1 1 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.904 0.096 18156 422 1 1 . 1 1 83 83 ILE C C 83 175.300 175.300 175.282 0.018 18156 423 1 1 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.473 -0.973 18156 424 1 1 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.444 0.356 18156 425 1 1 . 1 1 83 83 ILE H H 83 8.250 8.250 8.075 0.175 18156 426 1 1 . 1 1 84 84 GLU N N 84 126.600 126.600 128.316 -1.716 18156 427 1 1 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.552 -0.052 18156 428 1 1 . 1 1 84 84 GLU C C 84 177.400 177.400 177.879 -0.479 18156 429 1 1 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.394 -0.094 18156 430 1 1 . 1 1 84 84 GLU CB C 84 32.600 32.600 31.548 1.052 18156 431 1 1 . 1 1 84 84 GLU H H 84 8.760 8.760 8.201 0.559 18156 432 1 1 . 1 1 85 85 GLY N N 85 109.400 109.400 108.663 0.737 18156 433 1 1 . 1 1 85 85 GLY C C 85 176.600 176.600 175.482 1.118 18156 434 1 1 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.435 -0.035 18156 435 1 1 . 1 1 85 85 GLY H H 85 8.870 8.870 8.626 0.244 18156 436 1 1 . 1 1 86 86 GLU N N 86 123.900 123.900 119.106 4.794 18156 437 1 1 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.229 0.021 18156 438 1 1 . 1 1 86 86 GLU C C 86 176.200 176.200 177.376 -1.176 18156 439 1 1 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.095 -0.295 18156 440 1 1 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.506 -0.406 18156 441 1 1 . 1 1 86 86 GLU H H 86 9.240 9.240 8.288 0.952 18156 442 1 1 . 1 1 87 87 ASN N N 87 115.900 115.900 116.152 -0.252 18156 443 1 1 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.746 0.084 18156 444 1 1 . 1 1 87 87 ASN C C 87 174.600 174.600 175.703 -1.103 18156 445 1 1 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.022 0.178 18156 446 1 1 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.022 0.378 18156 447 1 1 . 1 1 87 87 ASN H H 87 8.050 8.050 7.839 0.211 18156 448 1 1 . 1 1 88 88 ARG N N 88 119.300 119.300 120.149 -0.849 18156 449 1 1 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.403 -0.353 18156 450 1 1 . 1 1 88 88 ARG C C 88 176.600 176.600 176.219 0.381 18156 451 1 1 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.664 -0.064 18156 452 1 1 . 1 1 88 88 ARG CB C 88 30.600 30.600 29.964 0.636 18156 453 1 1 . 1 1 88 88 ARG H H 88 7.230 7.230 7.520 -0.290 18156 454 1 1 . 1 1 89 89 VAL N N 89 124.700 124.700 126.565 -1.865 18156 455 1 1 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.311 -0.021 18156 456 1 1 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.717 0.283 18156 457 1 1 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.838 1.262 18156 458 1 1 . 1 1 89 89 VAL H H 89 8.780 8.780 8.461 0.319 18156 459 1 1 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.427 0.083 18156 460 1 1 . 1 1 90 90 PRO C C 90 175.100 175.100 175.532 -0.432 18156 461 1 1 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.812 0.288 18156 462 1 1 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.473 0.127 18156 463 1 1 . 1 1 91 91 VAL N N 91 121.600 121.600 124.962 -3.362 18156 464 1 1 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.541 0.269 18156 465 1 1 . 1 1 91 91 VAL C C 91 176.100 176.100 175.922 0.178 18156 466 1 1 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.767 -0.467 18156 467 1 1 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.175 2.025 18156 468 1 1 . 1 1 91 91 VAL H H 91 8.030 8.030 8.364 -0.334 18156 469 1 1 . 1 1 92 92 VAL N N 92 124.800 124.800 128.942 -4.142 18156 470 1 1 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.173 0.367 18156 471 1 1 . 1 1 92 92 VAL C C 92 173.600 173.600 174.807 -1.207 18156 472 1 1 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.123 -1.423 18156 473 1 1 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.504 2.396 18156 474 1 1 . 1 1 92 92 VAL H H 92 8.640 8.640 8.312 0.328 18156 475 1 1 . 1 1 93 93 TYR N N 93 124.700 124.700 127.836 -3.136 18156 476 1 1 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.409 0.521 18156 477 1 1 . 1 1 93 93 TYR C C 93 175.700 175.700 175.904 -0.204 18156 478 1 1 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.803 -1.403 18156 479 1 1 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.349 0.151 18156 480 1 1 . 1 1 93 93 TYR H H 93 8.800 8.800 8.560 0.240 18156 481 1 1 . 1 1 94 94 ILE N N 94 123.100 123.100 125.028 -1.928 18156 482 1 1 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.373 0.137 18156 483 1 1 . 1 1 94 94 ILE C C 94 173.700 173.700 173.979 -0.279 18156 484 1 1 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.320 -1.120 18156 485 1 1 . 1 1 94 94 ILE CB C 94 41.500 41.500 41.310 0.190 18156 486 1 1 . 1 1 94 94 ILE H H 94 9.000 9.000 8.418 0.582 18156 487 1 1 . 1 1 95 95 ALA N N 95 128.000 128.000 128.057 -0.057 18156 488 1 1 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.568 0.422 18156 489 1 1 . 1 1 95 95 ALA C C 95 177.000 177.000 176.089 0.911 18156 490 1 1 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.731 -1.231 18156 491 1 1 . 1 1 95 95 ALA CB C 95 20.400 20.400 20.232 0.168 18156 492 1 1 . 1 1 95 95 ALA H H 95 8.450 8.450 8.360 0.090 18156 493 1 1 . 1 1 96 96 GLU N N 96 122.200 122.200 124.443 -2.243 18156 494 1 1 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.501 0.019 18156 495 1 1 . 1 1 96 96 GLU C C 96 176.000 176.000 177.335 -1.335 18156 496 1 1 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.310 0.190 18156 497 1 1 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.232 2.568 18156 498 1 1 . 1 1 96 96 GLU H H 96 8.850 8.850 8.238 0.612 18156 499 1 1 . 1 1 97 97 SER N N 97 118.600 118.600 120.293 -1.693 18156 500 1 1 . 1 1 97 97 SER HA H 97 4.430 4.430 4.219 0.211 18156 501 1 1 . 1 1 97 97 SER C C 97 174.200 174.200 175.193 -0.993 18156 502 1 1 . 1 1 97 97 SER CA C 97 58.500 58.500 60.659 -2.159 18156 503 1 1 . 1 1 97 97 SER CB C 97 63.800 63.800 63.262 0.538 18156 504 1 1 . 1 1 97 97 SER H H 97 8.650 8.650 8.729 -0.079 18156 505 1 1 . 1 1 98 98 ASP N N 98 123.200 123.200 120.832 2.368 18156 506 1 1 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.537 0.133 18156 507 1 1 . 1 1 98 98 ASP C C 98 175.500 175.500 177.130 -1.630 18156 508 1 1 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.764 -0.364 18156 509 1 1 . 1 1 98 98 ASP CB C 98 41.400 41.400 40.936 0.464 18156 510 1 1 . 1 1 98 98 ASP H H 98 8.500 8.500 8.345 0.155 18156 511 1 2 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.507 -1.007 18156 512 1 2 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.575 0.015 18156 513 1 2 . 1 1 10 10 HIS C C 10 175.500 175.500 174.500 1.000 18156 514 1 2 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.235 1.265 18156 515 1 2 . 1 1 10 10 HIS CB C 10 30.200 30.200 29.189 1.011 18156 516 1 2 . 1 1 11 11 MET N N 11 120.900 120.900 118.219 2.681 18156 517 1 2 . 1 1 11 11 MET HA H 11 4.290 4.290 3.878 0.412 18156 518 1 2 . 1 1 11 11 MET C C 11 176.300 176.300 176.030 0.270 18156 519 1 2 . 1 1 11 11 MET CA C 11 55.900 55.900 57.900 -2.000 18156 520 1 2 . 1 1 11 11 MET CB C 11 32.700 32.700 32.106 0.594 18156 521 1 2 . 1 1 11 11 MET H H 11 8.210 8.210 8.348 -0.138 18156 522 1 2 . 1 1 12 12 LYS N N 12 122.100 122.100 119.839 2.261 18156 523 1 2 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.490 -0.360 18156 524 1 2 . 1 1 12 12 LYS C C 12 176.700 176.700 175.415 1.285 18156 525 1 2 . 1 1 12 12 LYS CA C 12 56.800 56.800 55.721 1.079 18156 526 1 2 . 1 1 12 12 LYS CB C 12 32.800 32.800 34.122 -1.322 18156 527 1 2 . 1 1 12 12 LYS H H 12 8.300 8.300 8.231 0.069 18156 528 1 2 . 1 1 13 13 ARG N N 13 121.500 121.500 122.063 -0.563 18156 529 1 2 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.305 -0.035 18156 530 1 2 . 1 1 13 13 ARG C C 13 176.200 176.200 176.294 -0.094 18156 531 1 2 . 1 1 13 13 ARG CA C 13 56.200 56.200 57.377 -1.177 18156 532 1 2 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.385 0.415 18156 533 1 2 . 1 1 13 13 ARG H H 13 8.160 8.160 8.513 -0.353 18156 534 1 2 . 1 1 14 14 SER N N 14 116.700 116.700 113.350 3.350 18156 535 1 2 . 1 1 14 14 SER HA H 14 4.530 4.530 3.870 0.660 18156 536 1 2 . 1 1 14 14 SER C C 14 173.600 173.600 173.723 -0.123 18156 537 1 2 . 1 1 14 14 SER CA C 14 58.300 58.300 60.801 -2.501 18156 538 1 2 . 1 1 14 14 SER CB C 14 64.100 64.100 62.056 2.044 18156 539 1 2 . 1 1 14 14 SER H H 14 8.160 8.160 8.357 -0.197 18156 540 1 2 . 1 1 15 15 GLY N N 15 109.300 109.300 106.955 2.345 18156 541 1 2 . 1 1 15 15 GLY C C 15 173.000 173.000 172.773 0.227 18156 542 1 2 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.295 -0.595 18156 543 1 2 . 1 1 15 15 GLY H H 15 8.100 8.100 7.886 0.214 18156 544 1 2 . 1 1 16 16 ARG N N 16 122.300 122.300 123.583 -1.283 18156 545 1 2 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.803 -0.273 18156 546 1 2 . 1 1 16 16 ARG C C 16 173.200 173.200 175.109 -1.909 18156 547 1 2 . 1 1 16 16 ARG CA C 16 55.300 55.300 53.723 1.577 18156 548 1 2 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.400 1.500 18156 549 1 2 . 1 1 16 16 ARG H H 16 8.460 8.460 8.447 0.013 18156 550 1 2 . 1 1 17 17 GLU N N 17 126.800 126.800 127.229 -0.429 18156 551 1 2 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.183 -0.963 18156 552 1 2 . 1 1 17 17 GLU C C 17 177.000 177.000 176.411 0.589 18156 553 1 2 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.789 -0.789 18156 554 1 2 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.364 0.736 18156 555 1 2 . 1 1 17 17 GLU H H 17 8.190 8.190 8.731 -0.541 18156 556 1 2 . 1 1 18 18 ILE N N 18 122.600 122.600 123.285 -0.685 18156 557 1 2 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.750 0.210 18156 558 1 2 . 1 1 18 18 ILE C C 18 174.600 174.600 175.308 -0.708 18156 559 1 2 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.953 0.247 18156 560 1 2 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.364 1.536 18156 561 1 2 . 1 1 18 18 ILE H H 18 8.870 8.870 8.676 0.194 18156 562 1 2 . 1 1 19 19 THR N N 19 108.700 108.700 110.128 -1.428 18156 563 1 2 . 1 1 19 19 THR HA H 19 4.760 4.760 4.630 0.131 18156 564 1 2 . 1 1 19 19 THR C C 19 175.400 175.400 175.716 -0.316 18156 565 1 2 . 1 1 19 19 THR CA C 19 59.800 59.800 60.498 -0.698 18156 566 1 2 . 1 1 19 19 THR CB C 19 72.100 72.100 71.376 0.724 18156 567 1 2 . 1 1 19 19 THR H H 19 8.140 8.140 8.061 0.079 18156 568 1 2 . 1 1 20 20 TRP N N 20 121.900 121.900 124.239 -2.339 18156 569 1 2 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.899 0.001 18156 570 1 2 . 1 1 20 20 TRP C C 20 176.600 176.600 177.174 -0.574 18156 571 1 2 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.496 -0.496 18156 572 1 2 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.604 -0.304 18156 573 1 2 . 1 1 20 20 TRP H H 20 9.060 9.060 8.903 0.157 18156 574 1 2 . 1 1 21 21 LYS N N 21 116.900 116.900 119.659 -2.759 18156 575 1 2 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.801 -0.141 18156 576 1 2 . 1 1 21 21 LYS C C 21 178.200 178.200 178.411 -0.211 18156 577 1 2 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.132 0.569 18156 578 1 2 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.482 0.718 18156 579 1 2 . 1 1 21 21 LYS H H 21 8.320 8.320 8.193 0.127 18156 580 1 2 . 1 1 22 22 ASP N N 22 119.000 119.000 118.836 0.164 18156 581 1 2 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.386 -0.116 18156 582 1 2 . 1 1 22 22 ASP C C 22 178.500 178.500 178.458 0.042 18156 583 1 2 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.356 -0.356 18156 584 1 2 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.801 0.499 18156 585 1 2 . 1 1 22 22 ASP H H 22 7.670 7.670 7.869 -0.199 18156 586 1 2 . 1 1 23 23 PHE N N 23 120.000 120.000 121.105 -1.105 18156 587 1 2 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.388 -0.138 18156 588 1 2 . 1 1 23 23 PHE C C 23 177.500 177.500 177.018 0.482 18156 589 1 2 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.438 -0.638 18156 590 1 2 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.788 -1.188 18156 591 1 2 . 1 1 23 23 PHE H H 23 8.430 8.430 8.101 0.329 18156 592 1 2 . 1 1 24 24 VAL N N 24 120.700 120.700 118.768 1.932 18156 593 1 2 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.960 -0.230 18156 594 1 2 . 1 1 24 24 VAL C C 24 178.200 178.200 177.852 0.348 18156 595 1 2 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.758 0.142 18156 596 1 2 . 1 1 24 24 VAL CB C 24 32.100 32.100 31.026 1.075 18156 597 1 2 . 1 1 24 24 VAL H H 24 8.250 8.250 7.552 0.698 18156 598 1 2 . 1 1 25 25 ASN N N 25 116.700 116.700 117.385 -0.685 18156 599 1 2 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.363 -0.163 18156 600 1 2 . 1 1 25 25 ASN C C 25 176.200 176.200 176.252 -0.052 18156 601 1 2 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.999 0.001 18156 602 1 2 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.260 0.440 18156 603 1 2 . 1 1 25 25 ASN H H 25 8.260 8.260 7.906 0.354 18156 604 1 2 . 1 1 26 26 ASN N N 26 112.300 112.300 114.625 -2.325 18156 605 1 2 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.569 0.031 18156 606 1 2 . 1 1 26 26 ASN C C 26 174.500 174.500 175.462 -0.962 18156 607 1 2 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.634 -1.034 18156 608 1 2 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.078 -0.278 18156 609 1 2 . 1 1 26 26 ASN H H 26 8.490 8.490 7.903 0.587 18156 610 1 2 . 1 1 27 27 TYR N N 27 113.700 113.700 117.217 -3.517 18156 611 1 2 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.652 0.178 18156 612 1 2 . 1 1 27 27 TYR C C 27 176.500 176.500 176.652 -0.152 18156 613 1 2 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.702 -1.502 18156 614 1 2 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.966 0.334 18156 615 1 2 . 1 1 27 27 TYR H H 27 7.000 7.000 7.637 -0.637 18156 616 1 2 . 1 1 28 28 LEU N N 28 122.700 122.700 120.755 1.945 18156 617 1 2 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.756 0.074 18156 618 1 2 . 1 1 28 28 LEU C C 28 179.700 179.700 178.901 0.799 18156 619 1 2 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.312 0.988 18156 620 1 2 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.546 -0.146 18156 621 1 2 . 1 1 28 28 LEU H H 28 8.180 8.180 7.707 0.473 18156 622 1 2 . 1 1 29 29 SER N N 29 109.300 109.300 114.501 -5.201 18156 623 1 2 . 1 1 29 29 SER HA H 29 4.120 4.120 4.113 0.007 18156 624 1 2 . 1 1 29 29 SER C C 29 174.000 174.000 175.751 -1.751 18156 625 1 2 . 1 1 29 29 SER CA C 29 60.300 60.300 61.017 -0.717 18156 626 1 2 . 1 1 29 29 SER CB C 29 63.100 63.100 62.797 0.303 18156 627 1 2 . 1 1 29 29 SER H H 29 7.940 7.940 8.138 -0.198 18156 628 1 2 . 1 1 30 30 LYS N N 30 117.200 117.200 119.984 -2.784 18156 629 1 2 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.371 0.089 18156 630 1 2 . 1 1 30 30 LYS C C 30 177.200 177.200 176.493 0.707 18156 631 1 2 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.105 -0.305 18156 632 1 2 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.267 0.733 18156 633 1 2 . 1 1 30 30 LYS H H 30 6.680 6.680 7.281 -0.601 18156 634 1 2 . 1 1 31 31 GLY N N 31 107.100 107.100 107.967 -0.867 18156 635 1 2 . 1 1 31 31 GLY C C 31 175.700 175.700 175.641 0.059 18156 636 1 2 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.227 1.173 18156 637 1 2 . 1 1 31 31 GLY H H 31 7.660 7.660 7.748 -0.088 18156 638 1 2 . 1 1 32 32 VAL N N 32 107.300 107.300 112.968 -5.668 18156 639 1 2 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.241 0.389 18156 640 1 2 . 1 1 32 32 VAL C C 32 174.800 174.800 175.818 -1.018 18156 641 1 2 . 1 1 32 32 VAL CA C 32 60.800 60.800 63.143 -2.343 18156 642 1 2 . 1 1 32 32 VAL CB C 32 32.100 32.100 31.959 0.141 18156 643 1 2 . 1 1 32 32 VAL H H 32 6.910 6.910 7.343 -0.433 18156 644 1 2 . 1 1 33 33 VAL N N 33 122.000 122.000 119.499 2.501 18156 645 1 2 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.111 -0.111 18156 646 1 2 . 1 1 33 33 VAL C C 33 174.500 174.500 175.480 -0.980 18156 647 1 2 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.907 1.393 18156 648 1 2 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.346 -0.246 18156 649 1 2 . 1 1 33 33 VAL H H 33 8.180 8.180 7.444 0.736 18156 650 1 2 . 1 1 34 34 ASP N N 34 128.200 128.200 125.329 2.871 18156 651 1 2 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.585 0.175 18156 652 1 2 . 1 1 34 34 ASP C C 34 175.400 175.400 175.762 -0.362 18156 653 1 2 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.746 -1.446 18156 654 1 2 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.899 0.701 18156 655 1 2 . 1 1 34 34 ASP H H 34 9.150 9.150 8.797 0.353 18156 656 1 2 . 1 1 35 35 ARG N N 35 112.200 112.200 113.634 -1.434 18156 657 1 2 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.732 -0.112 18156 658 1 2 . 1 1 35 35 ARG C C 35 172.900 172.900 173.604 -0.704 18156 659 1 2 . 1 1 35 35 ARG CA C 35 55.300 55.300 55.319 -0.019 18156 660 1 2 . 1 1 35 35 ARG CB C 35 33.100 33.100 32.879 0.221 18156 661 1 2 . 1 1 35 35 ARG H H 35 7.440 7.440 7.543 -0.103 18156 662 1 2 . 1 1 36 36 LEU N N 36 120.400 120.400 122.122 -1.722 18156 663 1 2 . 1 1 36 36 LEU HA H 36 5.020 5.020 4.749 0.271 18156 664 1 2 . 1 1 36 36 LEU C C 36 174.800 174.800 175.641 -0.841 18156 665 1 2 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.971 -0.971 18156 666 1 2 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.633 0.267 18156 667 1 2 . 1 1 36 36 LEU H H 36 8.410 8.410 8.881 -0.471 18156 668 1 2 . 1 1 37 37 GLU N N 37 120.800 120.800 125.165 -4.365 18156 669 1 2 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.710 0.220 18156 670 1 2 . 1 1 37 37 GLU C C 37 174.400 174.400 175.686 -1.286 18156 671 1 2 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.950 -1.650 18156 672 1 2 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.546 1.154 18156 673 1 2 . 1 1 37 37 GLU H H 37 8.470 8.470 8.785 -0.315 18156 674 1 2 . 1 1 38 38 VAL N N 38 125.600 125.600 127.236 -1.636 18156 675 1 2 . 1 1 38 38 VAL HA H 38 4.010 4.010 4.032 -0.022 18156 676 1 2 . 1 1 38 38 VAL C C 38 175.500 175.500 175.493 0.007 18156 677 1 2 . 1 1 38 38 VAL CA C 38 61.400 61.400 60.778 0.622 18156 678 1 2 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.196 0.604 18156 679 1 2 . 1 1 38 38 VAL H H 38 9.130 9.130 8.446 0.684 18156 680 1 2 . 1 1 39 39 VAL N N 39 131.700 131.700 130.094 1.606 18156 681 1 2 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.613 0.567 18156 682 1 2 . 1 1 39 39 VAL C C 39 175.600 175.600 175.627 -0.027 18156 683 1 2 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.807 -1.107 18156 684 1 2 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.650 0.150 18156 685 1 2 . 1 1 39 39 VAL H H 39 9.040 9.040 7.694 1.346 18156 686 1 2 . 1 1 40 40 ASN N N 40 125.000 125.000 126.365 -1.365 18156 687 1 2 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.290 0.170 18156 688 1 2 . 1 1 40 40 ASN C C 40 173.300 173.300 174.410 -1.110 18156 689 1 2 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.380 -0.280 18156 690 1 2 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.898 0.102 18156 691 1 2 . 1 1 40 40 ASN H H 40 9.060 9.060 8.621 0.439 18156 692 1 2 . 1 1 41 41 LYS N N 41 109.900 109.900 110.317 -0.417 18156 693 1 2 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.723 -0.483 18156 694 1 2 . 1 1 41 41 LYS C C 41 175.000 175.000 176.058 -1.058 18156 695 1 2 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.307 -0.007 18156 696 1 2 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.649 -0.049 18156 697 1 2 . 1 1 41 41 LYS H H 41 9.250 9.250 7.715 1.535 18156 698 1 2 . 1 1 42 42 ARG N N 42 115.800 115.800 115.348 0.452 18156 699 1 2 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.442 0.268 18156 700 1 2 . 1 1 42 42 ARG C C 42 174.900 174.900 176.422 -1.522 18156 701 1 2 . 1 1 42 42 ARG CA C 42 57.200 57.200 56.333 0.868 18156 702 1 2 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.516 2.684 18156 703 1 2 . 1 1 42 42 ARG H H 42 8.110 8.110 7.715 0.395 18156 704 1 2 . 1 1 43 43 PHE N N 43 115.100 115.100 113.458 1.642 18156 705 1 2 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.677 0.483 18156 706 1 2 . 1 1 43 43 PHE C C 43 171.200 171.200 172.550 -1.350 18156 707 1 2 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.652 -0.952 18156 708 1 2 . 1 1 43 43 PHE CB C 43 41.100 41.100 40.619 0.481 18156 709 1 2 . 1 1 43 43 PHE H H 43 7.610 7.610 7.179 0.431 18156 710 1 2 . 1 1 44 44 VAL N N 44 121.200 121.200 118.572 2.628 18156 711 1 2 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.074 0.516 18156 712 1 2 . 1 1 44 44 VAL C C 44 174.600 174.600 174.433 0.167 18156 713 1 2 . 1 1 44 44 VAL CA C 44 59.800 59.800 61.184 -1.384 18156 714 1 2 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.216 -0.316 18156 715 1 2 . 1 1 44 44 VAL H H 44 9.030 9.030 8.226 0.804 18156 716 1 2 . 1 1 45 45 ARG N N 45 125.000 125.000 126.824 -1.824 18156 717 1 2 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.708 0.252 18156 718 1 2 . 1 1 45 45 ARG C C 45 175.400 175.400 174.089 1.311 18156 719 1 2 . 1 1 45 45 ARG CA C 45 55.000 55.000 53.626 1.374 18156 720 1 2 . 1 1 45 45 ARG CB C 45 33.200 33.200 33.605 -0.405 18156 721 1 2 . 1 1 45 45 ARG H H 45 9.320 9.320 8.636 0.684 18156 722 1 2 . 1 1 46 46 VAL N N 46 127.200 127.200 128.146 -0.946 18156 723 1 2 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.213 -0.103 18156 724 1 2 . 1 1 46 46 VAL C C 46 174.700 174.700 175.831 -1.131 18156 725 1 2 . 1 1 46 46 VAL CA C 46 62.200 62.200 61.827 0.373 18156 726 1 2 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.713 1.387 18156 727 1 2 . 1 1 46 46 VAL H H 46 8.770 8.770 8.651 0.119 18156 728 1 2 . 1 1 47 47 THR N N 47 120.800 120.800 124.048 -3.248 18156 729 1 2 . 1 1 47 47 THR HA H 47 4.700 4.700 4.604 0.096 18156 730 1 2 . 1 1 47 47 THR C C 47 174.500 174.500 173.789 0.711 18156 731 1 2 . 1 1 47 47 THR CA C 47 61.300 61.300 61.803 -0.503 18156 732 1 2 . 1 1 47 47 THR CB C 47 69.800 69.800 69.729 0.071 18156 733 1 2 . 1 1 47 47 THR H H 47 8.110 8.110 8.507 -0.397 18156 734 1 2 . 1 1 48 48 PHE N N 48 125.700 125.700 125.879 -0.179 18156 735 1 2 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.864 0.486 18156 736 1 2 . 1 1 48 48 PHE C C 48 176.000 176.000 176.757 -0.757 18156 737 1 2 . 1 1 48 48 PHE CA C 48 57.300 57.300 58.581 -1.281 18156 738 1 2 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.531 0.870 18156 739 1 2 . 1 1 48 48 PHE H H 48 9.000 9.000 9.218 -0.218 18156 740 1 2 . 1 1 49 49 THR N N 49 118.900 118.900 118.372 0.528 18156 741 1 2 . 1 1 49 49 THR HA H 49 4.330 4.330 4.768 -0.438 18156 742 1 2 . 1 1 49 49 THR CA C 49 61.200 61.200 60.264 0.936 18156 743 1 2 . 1 1 49 49 THR CB C 49 69.400 69.400 70.230 -0.830 18156 744 1 2 . 1 1 49 49 THR H H 49 8.620 8.620 8.504 0.116 18156 745 1 2 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.406 -0.046 18156 746 1 2 . 1 1 50 50 PRO C C 50 177.700 177.700 177.540 0.160 18156 747 1 2 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.705 0.795 18156 748 1 2 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.763 0.037 18156 749 1 2 . 1 1 51 51 GLY N N 51 111.300 111.300 113.036 -1.736 18156 750 1 2 . 1 1 51 51 GLY C C 51 175.200 175.200 175.321 -0.121 18156 751 1 2 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.357 0.043 18156 752 1 2 . 1 1 51 51 GLY H H 51 8.880 8.880 8.715 0.165 18156 753 1 2 . 1 1 52 52 LYS N N 52 118.900 118.900 120.859 -1.959 18156 754 1 2 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.539 0.031 18156 755 1 2 . 1 1 52 52 LYS C C 52 175.800 175.800 176.576 -0.776 18156 756 1 2 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.081 -0.281 18156 757 1 2 . 1 1 52 52 LYS CB C 52 32.600 32.600 32.590 0.010 18156 758 1 2 . 1 1 52 52 LYS H H 52 8.110 8.110 8.161 -0.051 18156 759 1 2 . 1 1 53 53 THR N N 53 114.700 114.700 118.476 -3.776 18156 760 1 2 . 1 1 53 53 THR HA H 53 4.180 4.180 4.540 -0.360 18156 761 1 2 . 1 1 53 53 THR CA C 53 60.400 60.400 60.674 -0.274 18156 762 1 2 . 1 1 53 53 THR CB C 53 69.100 69.100 68.580 0.520 18156 763 1 2 . 1 1 53 53 THR H H 53 7.700 7.700 7.731 -0.031 18156 764 1 2 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.276 0.134 18156 765 1 2 . 1 1 54 54 PRO C C 54 177.500 177.500 177.847 -0.347 18156 766 1 2 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.855 0.345 18156 767 1 2 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.138 0.162 18156 768 1 2 . 1 1 55 55 VAL N N 55 119.300 119.300 123.922 -4.622 18156 769 1 2 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.660 0.340 18156 770 1 2 . 1 1 55 55 VAL C C 55 176.000 176.000 176.472 -0.472 18156 771 1 2 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.651 -1.351 18156 772 1 2 . 1 1 55 55 VAL CB C 55 32.400 32.400 32.250 0.150 18156 773 1 2 . 1 1 55 55 VAL H H 55 8.190 8.190 8.378 -0.188 18156 774 1 2 . 1 1 56 56 ASP N N 56 120.300 120.300 117.714 2.586 18156 775 1 2 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.495 0.075 18156 776 1 2 . 1 1 56 56 ASP C C 56 177.000 177.000 176.954 0.046 18156 777 1 2 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.343 -1.043 18156 778 1 2 . 1 1 56 56 ASP CB C 56 40.700 40.700 41.082 -0.382 18156 779 1 2 . 1 1 56 56 ASP H H 56 8.170 8.170 8.167 0.003 18156 780 1 2 . 1 1 57 57 GLY N N 57 108.300 108.300 107.926 0.374 18156 781 1 2 . 1 1 57 57 GLY C C 57 173.700 173.700 173.669 0.031 18156 782 1 2 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.487 1.313 18156 783 1 2 . 1 1 57 57 GLY H H 57 8.110 8.110 7.811 0.299 18156 784 1 2 . 1 1 58 58 GLN N N 58 118.900 118.900 120.381 -1.481 18156 785 1 2 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.239 0.261 18156 786 1 2 . 1 1 58 58 GLN C C 58 175.700 175.700 175.113 0.587 18156 787 1 2 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.514 0.686 18156 788 1 2 . 1 1 58 58 GLN CB C 58 30.200 30.200 28.239 1.960 18156 789 1 2 . 1 1 58 58 GLN H H 58 8.070 8.070 8.012 0.058 18156 790 1 2 . 1 1 59 59 TYR N N 59 118.800 118.800 122.652 -3.852 18156 791 1 2 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.995 0.135 18156 792 1 2 . 1 1 59 59 TYR C C 59 177.500 177.500 175.801 1.699 18156 793 1 2 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.225 -1.526 18156 794 1 2 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.652 -0.352 18156 795 1 2 . 1 1 59 59 TYR H H 59 8.110 8.110 8.171 -0.061 18156 796 1 2 . 1 1 60 60 VAL N N 60 115.600 115.600 113.281 2.319 18156 797 1 2 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.464 0.036 18156 798 1 2 . 1 1 60 60 VAL C C 60 174.700 174.700 174.997 -0.297 18156 799 1 2 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.749 0.251 18156 800 1 2 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.994 -0.994 18156 801 1 2 . 1 1 60 60 VAL H H 60 8.250 8.250 8.702 -0.452 18156 802 1 2 . 1 1 61 61 TRP N N 61 120.800 120.800 117.730 3.070 18156 803 1 2 . 1 1 61 61 TRP HA H 61 5.920 5.920 4.907 1.013 18156 804 1 2 . 1 1 61 61 TRP C C 61 172.700 172.700 173.157 -0.457 18156 805 1 2 . 1 1 61 61 TRP CA C 61 55.000 55.000 56.278 -1.278 18156 806 1 2 . 1 1 61 61 TRP CB C 61 32.900 32.900 31.678 1.222 18156 807 1 2 . 1 1 61 61 TRP H H 61 8.500 8.500 8.810 -0.310 18156 808 1 2 . 1 1 62 62 PHE N N 62 112.100 112.100 115.365 -3.265 18156 809 1 2 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.956 0.084 18156 810 1 2 . 1 1 62 62 PHE C C 62 174.800 174.800 173.682 1.118 18156 811 1 2 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.237 -0.837 18156 812 1 2 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.082 0.818 18156 813 1 2 . 1 1 62 62 PHE H H 62 8.700 8.700 8.519 0.181 18156 814 1 2 . 1 1 63 63 ASN N N 63 120.800 120.800 119.188 1.612 18156 815 1 2 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.901 0.259 18156 816 1 2 . 1 1 63 63 ASN C C 63 175.800 175.800 175.148 0.652 18156 817 1 2 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.294 0.805 18156 818 1 2 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.615 0.985 18156 819 1 2 . 1 1 63 63 ASN H H 63 9.340 9.340 8.678 0.662 18156 820 1 2 . 1 1 64 64 ILE N N 64 113.400 113.400 119.405 -6.005 18156 821 1 2 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.530 0.120 18156 822 1 2 . 1 1 64 64 ILE C C 64 175.300 175.300 175.466 -0.166 18156 823 1 2 . 1 1 64 64 ILE CA C 64 60.100 60.100 60.090 0.010 18156 824 1 2 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.894 2.206 18156 825 1 2 . 1 1 64 64 ILE H H 64 7.820 7.820 8.259 -0.439 18156 826 1 2 . 1 1 65 65 GLY N N 65 110.700 110.700 112.417 -1.717 18156 827 1 2 . 1 1 65 65 GLY C C 65 174.300 174.300 174.811 -0.511 18156 828 1 2 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.569 0.231 18156 829 1 2 . 1 1 65 65 GLY H H 65 8.570 8.570 8.640 -0.070 18156 830 1 2 . 1 1 66 66 SER N N 66 113.800 113.800 115.730 -1.930 18156 831 1 2 . 1 1 66 66 SER HA H 66 4.730 4.730 4.647 0.083 18156 832 1 2 . 1 1 66 66 SER C C 66 175.500 175.500 174.490 1.010 18156 833 1 2 . 1 1 66 66 SER CA C 66 56.800 56.800 57.502 -0.702 18156 834 1 2 . 1 1 66 66 SER CB C 66 64.500 64.500 66.147 -1.647 18156 835 1 2 . 1 1 66 66 SER H H 66 7.680 7.680 7.859 -0.179 18156 836 1 2 . 1 1 67 67 VAL N N 67 127.000 127.000 125.523 1.477 18156 837 1 2 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.761 0.059 18156 838 1 2 . 1 1 67 67 VAL C C 67 176.700 176.700 177.085 -0.385 18156 839 1 2 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.694 0.906 18156 840 1 2 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.928 -0.228 18156 841 1 2 . 1 1 67 67 VAL H H 67 9.150 9.150 8.809 0.341 18156 842 1 2 . 1 1 68 68 ASP N N 68 118.800 118.800 118.699 0.101 18156 843 1 2 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.511 -0.061 18156 844 1 2 . 1 1 68 68 ASP C C 68 178.700 178.700 178.368 0.332 18156 845 1 2 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.856 -0.556 18156 846 1 2 . 1 1 68 68 ASP CB C 68 40.700 40.700 39.836 0.864 18156 847 1 2 . 1 1 68 68 ASP H H 68 8.320 8.320 8.570 -0.250 18156 848 1 2 . 1 1 69 69 THR N N 69 114.500 114.500 116.358 -1.858 18156 849 1 2 . 1 1 69 69 THR HA H 69 3.910 3.910 4.062 -0.152 18156 850 1 2 . 1 1 69 69 THR C C 69 175.500 175.500 176.223 -0.723 18156 851 1 2 . 1 1 69 69 THR CA C 69 65.600 65.600 65.643 -0.043 18156 852 1 2 . 1 1 69 69 THR CB C 69 68.900 68.900 68.423 0.477 18156 853 1 2 . 1 1 69 69 THR H H 69 7.710 7.710 8.114 -0.404 18156 854 1 2 . 1 1 70 70 PHE N N 70 122.800 122.800 122.472 0.328 18156 855 1 2 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.851 0.469 18156 856 1 2 . 1 1 70 70 PHE C C 70 176.000 176.000 176.347 -0.347 18156 857 1 2 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.150 -0.650 18156 858 1 2 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.858 0.242 18156 859 1 2 . 1 1 70 70 PHE H H 70 7.680 7.680 8.173 -0.493 18156 860 1 2 . 1 1 71 71 GLU N N 71 118.400 118.400 118.321 0.079 18156 861 1 2 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.507 -0.137 18156 862 1 2 . 1 1 71 71 GLU C C 71 179.900 179.900 178.847 1.053 18156 863 1 2 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.111 1.089 18156 864 1 2 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.207 -0.007 18156 865 1 2 . 1 1 71 71 GLU H H 71 8.660 8.660 8.050 0.610 18156 866 1 2 . 1 1 72 72 ARG N N 72 119.500 119.500 119.301 0.199 18156 867 1 2 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.011 0.149 18156 868 1 2 . 1 1 72 72 ARG C C 72 179.200 179.200 178.562 0.638 18156 869 1 2 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.376 0.724 18156 870 1 2 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.587 0.513 18156 871 1 2 . 1 1 72 72 ARG H H 72 7.960 7.960 7.754 0.206 18156 872 1 2 . 1 1 73 73 ASN N N 73 119.900 119.900 118.500 1.400 18156 873 1 2 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.498 0.012 18156 874 1 2 . 1 1 73 73 ASN C C 73 178.100 178.100 177.951 0.149 18156 875 1 2 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.955 -0.455 18156 876 1 2 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.632 -1.232 18156 877 1 2 . 1 1 73 73 ASN H H 73 8.610 8.610 7.924 0.686 18156 878 1 2 . 1 1 74 74 LEU N N 74 121.900 121.900 121.866 0.034 18156 879 1 2 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.229 0.021 18156 880 1 2 . 1 1 74 74 LEU C C 74 179.100 179.100 178.049 1.051 18156 881 1 2 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.656 -0.355 18156 882 1 2 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.681 0.119 18156 883 1 2 . 1 1 74 74 LEU H H 74 8.720 8.720 8.384 0.336 18156 884 1 2 . 1 1 75 75 GLU N N 75 120.700 120.700 118.276 2.424 18156 885 1 2 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.899 0.211 18156 886 1 2 . 1 1 75 75 GLU C C 75 178.900 178.900 179.188 -0.288 18156 887 1 2 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.840 0.061 18156 888 1 2 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.474 -0.174 18156 889 1 2 . 1 1 75 75 GLU H H 75 8.070 8.070 7.891 0.179 18156 890 1 2 . 1 1 76 76 THR N N 76 115.700 115.700 117.092 -1.392 18156 891 1 2 . 1 1 76 76 THR HA H 76 4.000 4.000 3.983 0.017 18156 892 1 2 . 1 1 76 76 THR C C 76 176.600 176.600 176.400 0.200 18156 893 1 2 . 1 1 76 76 THR CA C 76 66.500 66.500 66.895 -0.395 18156 894 1 2 . 1 1 76 76 THR CB C 76 69.000 69.000 68.985 0.015 18156 895 1 2 . 1 1 76 76 THR H H 76 8.400 8.400 7.704 0.696 18156 896 1 2 . 1 1 77 77 LEU N N 77 122.200 122.200 122.092 0.108 18156 897 1 2 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.960 0.300 18156 898 1 2 . 1 1 77 77 LEU C C 77 179.200 179.200 178.473 0.727 18156 899 1 2 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.158 -0.859 18156 900 1 2 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.674 0.226 18156 901 1 2 . 1 1 77 77 LEU H H 77 8.330 8.330 8.153 0.177 18156 902 1 2 . 1 1 78 78 GLN N N 78 115.700 115.700 117.693 -1.993 18156 903 1 2 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.858 0.022 18156 904 1 2 . 1 1 78 78 GLN C C 78 177.600 177.600 178.617 -1.017 18156 905 1 2 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.286 2.014 18156 906 1 2 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.563 0.837 18156 907 1 2 . 1 1 78 78 GLN H H 78 8.200 8.200 8.421 -0.221 18156 908 1 2 . 1 1 79 79 GLN N N 79 118.400 118.400 117.315 1.085 18156 909 1 2 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.076 0.064 18156 910 1 2 . 1 1 79 79 GLN C C 79 180.000 180.000 178.803 1.197 18156 911 1 2 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.423 0.777 18156 912 1 2 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.133 0.067 18156 913 1 2 . 1 1 79 79 GLN H H 79 7.980 7.980 7.883 0.097 18156 914 1 2 . 1 1 80 80 GLU N N 80 121.700 121.700 119.928 1.772 18156 915 1 2 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.134 -0.084 18156 916 1 2 . 1 1 80 80 GLU C C 80 178.800 178.800 178.449 0.351 18156 917 1 2 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.571 0.729 18156 918 1 2 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.451 0.149 18156 919 1 2 . 1 1 80 80 GLU H H 80 8.400 8.400 8.019 0.381 18156 920 1 2 . 1 1 81 81 LEU N N 81 117.200 117.200 117.657 -0.457 18156 921 1 2 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.244 0.056 18156 922 1 2 . 1 1 81 81 LEU C C 81 177.400 177.400 178.145 -0.745 18156 923 1 2 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.642 -0.542 18156 924 1 2 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.371 0.429 18156 925 1 2 . 1 1 81 81 LEU H H 81 8.120 8.120 8.015 0.105 18156 926 1 2 . 1 1 82 82 GLY N N 82 108.900 108.900 106.332 2.568 18156 927 1 2 . 1 1 82 82 GLY C C 82 174.600 174.600 174.768 -0.168 18156 928 1 2 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.277 1.023 18156 929 1 2 . 1 1 82 82 GLY H H 82 7.840 7.840 7.682 0.158 18156 930 1 2 . 1 1 83 83 ILE N N 83 121.900 121.900 123.716 -1.816 18156 931 1 2 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.861 0.139 18156 932 1 2 . 1 1 83 83 ILE C C 83 175.300 175.300 175.301 -0.001 18156 933 1 2 . 1 1 83 83 ILE CA C 83 61.500 61.500 63.180 -1.680 18156 934 1 2 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.987 0.813 18156 935 1 2 . 1 1 83 83 ILE H H 83 8.250 8.250 7.838 0.412 18156 936 1 2 . 1 1 84 84 GLU N N 84 126.600 126.600 126.482 0.118 18156 937 1 2 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.570 -0.070 18156 938 1 2 . 1 1 84 84 GLU C C 84 177.400 177.400 176.667 0.733 18156 939 1 2 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.487 0.813 18156 940 1 2 . 1 1 84 84 GLU CB C 84 32.600 32.600 33.662 -1.062 18156 941 1 2 . 1 1 84 84 GLU H H 84 8.760 8.760 7.932 0.828 18156 942 1 2 . 1 1 85 85 GLY N N 85 109.400 109.400 110.079 -0.679 18156 943 1 2 . 1 1 85 85 GLY C C 85 176.600 176.600 174.629 1.971 18156 944 1 2 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.427 0.973 18156 945 1 2 . 1 1 85 85 GLY H H 85 8.870 8.870 8.523 0.347 18156 946 1 2 . 1 1 86 86 GLU N N 86 123.900 123.900 124.190 -0.290 18156 947 1 2 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.183 0.067 18156 948 1 2 . 1 1 86 86 GLU C C 86 176.200 176.200 177.270 -1.070 18156 949 1 2 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.132 -0.332 18156 950 1 2 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.700 -0.600 18156 951 1 2 . 1 1 86 86 GLU H H 86 9.240 9.240 8.718 0.522 18156 952 1 2 . 1 1 87 87 ASN N N 87 115.900 115.900 115.734 0.166 18156 953 1 2 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.660 0.170 18156 954 1 2 . 1 1 87 87 ASN C C 87 174.600 174.600 175.085 -0.485 18156 955 1 2 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.754 -0.554 18156 956 1 2 . 1 1 87 87 ASN CB C 87 39.400 39.400 38.901 0.499 18156 957 1 2 . 1 1 87 87 ASN H H 87 8.050 8.050 7.712 0.338 18156 958 1 2 . 1 1 88 88 ARG N N 88 119.300 119.300 120.563 -1.263 18156 959 1 2 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.205 -0.155 18156 960 1 2 . 1 1 88 88 ARG C C 88 176.600 176.600 176.094 0.506 18156 961 1 2 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.723 -0.123 18156 962 1 2 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.606 -0.006 18156 963 1 2 . 1 1 88 88 ARG H H 88 7.230 7.230 7.228 0.002 18156 964 1 2 . 1 1 89 89 VAL N N 89 124.700 124.700 127.557 -2.857 18156 965 1 2 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.439 -0.149 18156 966 1 2 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.261 0.739 18156 967 1 2 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.053 2.046 18156 968 1 2 . 1 1 89 89 VAL H H 89 8.780 8.780 8.478 0.302 18156 969 1 2 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.563 -0.053 18156 970 1 2 . 1 1 90 90 PRO C C 90 175.100 175.100 175.860 -0.760 18156 971 1 2 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.480 0.620 18156 972 1 2 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.550 0.050 18156 973 1 2 . 1 1 91 91 VAL N N 91 121.600 121.600 121.170 0.430 18156 974 1 2 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.565 0.245 18156 975 1 2 . 1 1 91 91 VAL C C 91 176.100 176.100 175.872 0.228 18156 976 1 2 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.515 -0.215 18156 977 1 2 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.723 1.477 18156 978 1 2 . 1 1 91 91 VAL H H 91 8.030 8.030 8.211 -0.181 18156 979 1 2 . 1 1 92 92 VAL N N 92 124.800 124.800 128.799 -3.999 18156 980 1 2 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.205 0.335 18156 981 1 2 . 1 1 92 92 VAL C C 92 173.600 173.600 175.038 -1.438 18156 982 1 2 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.090 -1.390 18156 983 1 2 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.135 2.765 18156 984 1 2 . 1 1 92 92 VAL H H 92 8.640 8.640 8.378 0.262 18156 985 1 2 . 1 1 93 93 TYR N N 93 124.700 124.700 127.691 -2.991 18156 986 1 2 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.325 0.605 18156 987 1 2 . 1 1 93 93 TYR C C 93 175.700 175.700 175.873 -0.173 18156 988 1 2 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.683 -1.283 18156 989 1 2 . 1 1 93 93 TYR CB C 93 38.500 38.500 36.643 1.857 18156 990 1 2 . 1 1 93 93 TYR H H 93 8.800 8.800 8.492 0.308 18156 991 1 2 . 1 1 94 94 ILE N N 94 123.100 123.100 125.162 -2.062 18156 992 1 2 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.136 0.374 18156 993 1 2 . 1 1 94 94 ILE C C 94 173.700 173.700 174.803 -1.103 18156 994 1 2 . 1 1 94 94 ILE CA C 94 59.200 59.200 61.035 -1.835 18156 995 1 2 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.187 2.313 18156 996 1 2 . 1 1 94 94 ILE H H 94 9.000 9.000 7.772 1.228 18156 997 1 2 . 1 1 95 95 ALA N N 95 128.000 128.000 128.783 -0.783 18156 998 1 2 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.477 0.513 18156 999 1 2 . 1 1 95 95 ALA C C 95 177.000 177.000 176.353 0.647 18156 1000 1 2 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.210 -0.710 18156 1001 1 2 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.332 1.068 18156 1002 1 2 . 1 1 95 95 ALA H H 95 8.450 8.450 8.445 0.005 18156 1003 1 2 . 1 1 96 96 GLU N N 96 122.200 122.200 125.162 -2.962 18156 1004 1 2 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.192 0.328 18156 1005 1 2 . 1 1 96 96 GLU C C 96 176.000 176.000 175.286 0.714 18156 1006 1 2 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.327 -0.827 18156 1007 1 2 . 1 1 96 96 GLU CB C 96 32.800 32.800 28.711 4.089 18156 1008 1 2 . 1 1 96 96 GLU H H 96 8.850 8.850 8.405 0.445 18156 1009 1 2 . 1 1 97 97 SER N N 97 118.600 118.600 118.594 0.006 18156 1010 1 2 . 1 1 97 97 SER HA H 97 4.430 4.430 4.626 -0.196 18156 1011 1 2 . 1 1 97 97 SER C C 97 174.200 174.200 174.465 -0.265 18156 1012 1 2 . 1 1 97 97 SER CA C 97 58.500 58.500 57.775 0.725 18156 1013 1 2 . 1 1 97 97 SER CB C 97 63.800 63.800 65.317 -1.518 18156 1014 1 2 . 1 1 97 97 SER H H 97 8.650 8.650 7.919 0.731 18156 1015 1 2 . 1 1 98 98 ASP N N 98 123.200 123.200 124.455 -1.255 18156 1016 1 2 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.563 0.107 18156 1017 1 2 . 1 1 98 98 ASP C C 98 175.500 175.500 177.045 -1.545 18156 1018 1 2 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.509 -0.109 18156 1019 1 2 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.151 0.249 18156 1020 1 2 . 1 1 98 98 ASP H H 98 8.500 8.500 8.829 -0.329 18156 1021 1 3 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.373 -1.873 18156 1022 1 3 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.471 0.119 18156 1023 1 3 . 1 1 10 10 HIS C C 10 175.500 175.500 176.362 -0.862 18156 1024 1 3 . 1 1 10 10 HIS CA C 10 56.500 56.500 57.417 -0.917 18156 1025 1 3 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.130 0.070 18156 1026 1 3 . 1 1 11 11 MET N N 11 120.900 120.900 116.394 4.506 18156 1027 1 3 . 1 1 11 11 MET HA H 11 4.290 4.290 4.131 0.159 18156 1028 1 3 . 1 1 11 11 MET C C 11 176.300 176.300 174.706 1.594 18156 1029 1 3 . 1 1 11 11 MET CA C 11 55.900 55.900 56.632 -0.731 18156 1030 1 3 . 1 1 11 11 MET CB C 11 32.700 32.700 31.888 0.812 18156 1031 1 3 . 1 1 11 11 MET H H 11 8.210 8.210 8.485 -0.275 18156 1032 1 3 . 1 1 12 12 LYS N N 12 122.100 122.100 116.889 5.211 18156 1033 1 3 . 1 1 12 12 LYS HA H 12 4.130 4.130 3.990 0.140 18156 1034 1 3 . 1 1 12 12 LYS C C 12 176.700 176.700 177.023 -0.323 18156 1035 1 3 . 1 1 12 12 LYS CA C 12 56.800 56.800 57.340 -0.540 18156 1036 1 3 . 1 1 12 12 LYS CB C 12 32.800 32.800 29.739 3.061 18156 1037 1 3 . 1 1 12 12 LYS H H 12 8.300 8.300 8.402 -0.102 18156 1038 1 3 . 1 1 13 13 ARG N N 13 121.500 121.500 121.078 0.422 18156 1039 1 3 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.326 -0.056 18156 1040 1 3 . 1 1 13 13 ARG C C 13 176.200 176.200 175.551 0.649 18156 1041 1 3 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.151 1.049 18156 1042 1 3 . 1 1 13 13 ARG CB C 13 30.800 30.800 29.157 1.643 18156 1043 1 3 . 1 1 13 13 ARG H H 13 8.160 8.160 8.612 -0.452 18156 1044 1 3 . 1 1 14 14 SER N N 14 116.700 116.700 116.724 -0.024 18156 1045 1 3 . 1 1 14 14 SER HA H 14 4.530 4.530 4.013 0.517 18156 1046 1 3 . 1 1 14 14 SER C C 14 173.600 173.600 175.094 -1.494 18156 1047 1 3 . 1 1 14 14 SER CA C 14 58.300 58.300 58.934 -0.634 18156 1048 1 3 . 1 1 14 14 SER CB C 14 64.100 64.100 62.721 1.379 18156 1049 1 3 . 1 1 14 14 SER H H 14 8.160 8.160 7.558 0.602 18156 1050 1 3 . 1 1 15 15 GLY N N 15 109.300 109.300 114.851 -5.551 18156 1051 1 3 . 1 1 15 15 GLY C C 15 173.000 173.000 173.506 -0.506 18156 1052 1 3 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.087 -0.387 18156 1053 1 3 . 1 1 15 15 GLY H H 15 8.100 8.100 7.269 0.831 18156 1054 1 3 . 1 1 16 16 ARG N N 16 122.300 122.300 122.401 -0.101 18156 1055 1 3 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.458 0.072 18156 1056 1 3 . 1 1 16 16 ARG C C 16 173.200 173.200 175.473 -2.273 18156 1057 1 3 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.433 -0.133 18156 1058 1 3 . 1 1 16 16 ARG CB C 16 32.900 32.900 32.083 0.817 18156 1059 1 3 . 1 1 16 16 ARG H H 16 8.460 8.460 7.680 0.780 18156 1060 1 3 . 1 1 17 17 GLU N N 17 126.800 126.800 128.255 -1.455 18156 1061 1 3 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.774 -0.554 18156 1062 1 3 . 1 1 17 17 GLU C C 17 177.000 177.000 176.373 0.627 18156 1063 1 3 . 1 1 17 17 GLU CA C 17 55.000 55.000 56.150 -1.150 18156 1064 1 3 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.375 0.725 18156 1065 1 3 . 1 1 17 17 GLU H H 17 8.190 8.190 8.693 -0.503 18156 1066 1 3 . 1 1 18 18 ILE N N 18 122.600 122.600 123.246 -0.646 18156 1067 1 3 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.603 0.357 18156 1068 1 3 . 1 1 18 18 ILE C C 18 174.600 174.600 175.001 -0.401 18156 1069 1 3 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.333 -0.133 18156 1070 1 3 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.752 1.148 18156 1071 1 3 . 1 1 18 18 ILE H H 18 8.870 8.870 8.540 0.330 18156 1072 1 3 . 1 1 19 19 THR N N 19 108.700 108.700 110.023 -1.323 18156 1073 1 3 . 1 1 19 19 THR HA H 19 4.760 4.760 4.766 -0.006 18156 1074 1 3 . 1 1 19 19 THR C C 19 175.400 175.400 175.468 -0.068 18156 1075 1 3 . 1 1 19 19 THR CA C 19 59.800 59.800 59.645 0.155 18156 1076 1 3 . 1 1 19 19 THR CB C 19 72.100 72.100 72.295 -0.195 18156 1077 1 3 . 1 1 19 19 THR H H 19 8.140 8.140 8.493 -0.353 18156 1078 1 3 . 1 1 20 20 TRP N N 20 121.900 121.900 123.524 -1.624 18156 1079 1 3 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.799 0.101 18156 1080 1 3 . 1 1 20 20 TRP C C 20 176.600 176.600 177.119 -0.519 18156 1081 1 3 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.887 -0.887 18156 1082 1 3 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.681 -0.381 18156 1083 1 3 . 1 1 20 20 TRP H H 20 9.060 9.060 9.027 0.033 18156 1084 1 3 . 1 1 21 21 LYS N N 21 116.900 116.900 116.311 0.589 18156 1085 1 3 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.796 -0.136 18156 1086 1 3 . 1 1 21 21 LYS C C 21 178.200 178.200 177.910 0.290 18156 1087 1 3 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.186 0.514 18156 1088 1 3 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.401 0.799 18156 1089 1 3 . 1 1 21 21 LYS H H 21 8.320 8.320 8.416 -0.096 18156 1090 1 3 . 1 1 22 22 ASP N N 22 119.000 119.000 120.859 -1.859 18156 1091 1 3 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.286 -0.016 18156 1092 1 3 . 1 1 22 22 ASP C C 22 178.500 178.500 178.532 -0.032 18156 1093 1 3 . 1 1 22 22 ASP CA C 22 57.000 57.000 56.731 0.269 18156 1094 1 3 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.446 0.854 18156 1095 1 3 . 1 1 22 22 ASP H H 22 7.670 7.670 7.700 -0.030 18156 1096 1 3 . 1 1 23 23 PHE N N 23 120.000 120.000 121.963 -1.963 18156 1097 1 3 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.328 -0.078 18156 1098 1 3 . 1 1 23 23 PHE C C 23 177.500 177.500 176.894 0.606 18156 1099 1 3 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.842 -0.042 18156 1100 1 3 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.865 -1.265 18156 1101 1 3 . 1 1 23 23 PHE H H 23 8.430 8.430 7.855 0.575 18156 1102 1 3 . 1 1 24 24 VAL N N 24 120.700 120.700 118.799 1.901 18156 1103 1 3 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.833 -0.103 18156 1104 1 3 . 1 1 24 24 VAL C C 24 178.200 178.200 177.987 0.213 18156 1105 1 3 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.263 0.637 18156 1106 1 3 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.431 1.669 18156 1107 1 3 . 1 1 24 24 VAL H H 24 8.250 8.250 7.952 0.298 18156 1108 1 3 . 1 1 25 25 ASN N N 25 116.700 116.700 118.252 -1.552 18156 1109 1 3 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.268 -0.068 18156 1110 1 3 . 1 1 25 25 ASN C C 25 176.200 176.200 177.880 -1.680 18156 1111 1 3 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.319 -0.319 18156 1112 1 3 . 1 1 25 25 ASN CB C 25 38.700 38.700 37.835 0.865 18156 1113 1 3 . 1 1 25 25 ASN H H 25 8.260 8.260 8.115 0.145 18156 1114 1 3 . 1 1 26 26 ASN N N 26 112.300 112.300 117.486 -5.186 18156 1115 1 3 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.400 0.200 18156 1116 1 3 . 1 1 26 26 ASN C C 26 174.500 174.500 176.278 -1.778 18156 1117 1 3 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.437 -1.837 18156 1118 1 3 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.926 -0.126 18156 1119 1 3 . 1 1 26 26 ASN H H 26 8.490 8.490 7.586 0.904 18156 1120 1 3 . 1 1 27 27 TYR N N 27 113.700 113.700 116.190 -2.490 18156 1121 1 3 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.709 0.121 18156 1122 1 3 . 1 1 27 27 TYR C C 27 176.500 176.500 176.790 -0.290 18156 1123 1 3 . 1 1 27 27 TYR CA C 27 58.200 58.200 58.370 -0.170 18156 1124 1 3 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.145 0.155 18156 1125 1 3 . 1 1 27 27 TYR H H 27 7.000 7.000 7.564 -0.564 18156 1126 1 3 . 1 1 28 28 LEU N N 28 122.700 122.700 121.377 1.323 18156 1127 1 3 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.807 0.023 18156 1128 1 3 . 1 1 28 28 LEU C C 28 179.700 179.700 179.060 0.640 18156 1129 1 3 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.780 0.520 18156 1130 1 3 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.113 0.287 18156 1131 1 3 . 1 1 28 28 LEU H H 28 8.180 8.180 8.031 0.149 18156 1132 1 3 . 1 1 29 29 SER N N 29 109.300 109.300 115.240 -5.940 18156 1133 1 3 . 1 1 29 29 SER HA H 29 4.120 4.120 4.172 -0.052 18156 1134 1 3 . 1 1 29 29 SER C C 29 174.000 174.000 175.495 -1.495 18156 1135 1 3 . 1 1 29 29 SER CA C 29 60.300 60.300 60.927 -0.627 18156 1136 1 3 . 1 1 29 29 SER CB C 29 63.100 63.100 62.737 0.363 18156 1137 1 3 . 1 1 29 29 SER H H 29 7.940 7.940 8.015 -0.075 18156 1138 1 3 . 1 1 30 30 LYS N N 30 117.200 117.200 118.322 -1.122 18156 1139 1 3 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.423 0.037 18156 1140 1 3 . 1 1 30 30 LYS C C 30 177.200 177.200 176.248 0.952 18156 1141 1 3 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.923 -0.124 18156 1142 1 3 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.855 0.145 18156 1143 1 3 . 1 1 30 30 LYS H H 30 6.680 6.680 7.155 -0.475 18156 1144 1 3 . 1 1 31 31 GLY N N 31 107.100 107.100 108.648 -1.548 18156 1145 1 3 . 1 1 31 31 GLY C C 31 175.700 175.700 175.510 0.190 18156 1146 1 3 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.244 1.156 18156 1147 1 3 . 1 1 31 31 GLY H H 31 7.660 7.660 7.692 -0.032 18156 1148 1 3 . 1 1 32 32 VAL N N 32 107.300 107.300 111.980 -4.680 18156 1149 1 3 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.232 0.398 18156 1150 1 3 . 1 1 32 32 VAL C C 32 174.800 174.800 175.597 -0.797 18156 1151 1 3 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.868 -2.068 18156 1152 1 3 . 1 1 32 32 VAL CB C 32 32.100 32.100 31.992 0.108 18156 1153 1 3 . 1 1 32 32 VAL H H 32 6.910 6.910 7.593 -0.683 18156 1154 1 3 . 1 1 33 33 VAL N N 33 122.000 122.000 119.830 2.170 18156 1155 1 3 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.399 -0.399 18156 1156 1 3 . 1 1 33 33 VAL C C 33 174.500 174.500 175.469 -0.969 18156 1157 1 3 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.606 1.694 18156 1158 1 3 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.189 -0.089 18156 1159 1 3 . 1 1 33 33 VAL H H 33 8.180 8.180 7.529 0.651 18156 1160 1 3 . 1 1 34 34 ASP N N 34 128.200 128.200 126.564 1.636 18156 1161 1 3 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.542 0.218 18156 1162 1 3 . 1 1 34 34 ASP C C 34 175.400 175.400 175.700 -0.300 18156 1163 1 3 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.738 -1.438 18156 1164 1 3 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.487 1.113 18156 1165 1 3 . 1 1 34 34 ASP H H 34 9.150 9.150 8.819 0.331 18156 1166 1 3 . 1 1 35 35 ARG N N 35 112.200 112.200 112.608 -0.408 18156 1167 1 3 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.862 -0.242 18156 1168 1 3 . 1 1 35 35 ARG C C 35 172.900 172.900 173.841 -0.941 18156 1169 1 3 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.690 0.610 18156 1170 1 3 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.061 0.039 18156 1171 1 3 . 1 1 35 35 ARG H H 35 7.440 7.440 7.485 -0.045 18156 1172 1 3 . 1 1 36 36 LEU N N 36 120.400 120.400 122.336 -1.936 18156 1173 1 3 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.057 -0.037 18156 1174 1 3 . 1 1 36 36 LEU C C 36 174.800 174.800 175.842 -1.042 18156 1175 1 3 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.631 -0.631 18156 1176 1 3 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.880 0.020 18156 1177 1 3 . 1 1 36 36 LEU H H 36 8.410 8.410 8.873 -0.463 18156 1178 1 3 . 1 1 37 37 GLU N N 37 120.800 120.800 125.480 -4.680 18156 1179 1 3 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.669 0.261 18156 1180 1 3 . 1 1 37 37 GLU C C 37 174.400 174.400 175.945 -1.545 18156 1181 1 3 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.156 -1.856 18156 1182 1 3 . 1 1 37 37 GLU CB C 37 31.700 31.700 29.851 1.849 18156 1183 1 3 . 1 1 37 37 GLU H H 37 8.470 8.470 8.732 -0.262 18156 1184 1 3 . 1 1 38 38 VAL N N 38 125.600 125.600 127.372 -1.772 18156 1185 1 3 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.893 0.117 18156 1186 1 3 . 1 1 38 38 VAL C C 38 175.500 175.500 175.018 0.482 18156 1187 1 3 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.468 -0.068 18156 1188 1 3 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.115 0.685 18156 1189 1 3 . 1 1 38 38 VAL H H 38 9.130 9.130 8.297 0.833 18156 1190 1 3 . 1 1 39 39 VAL N N 39 131.700 131.700 128.890 2.810 18156 1191 1 3 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.268 -0.088 18156 1192 1 3 . 1 1 39 39 VAL C C 39 175.600 175.600 176.114 -0.514 18156 1193 1 3 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.829 0.871 18156 1194 1 3 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.474 0.326 18156 1195 1 3 . 1 1 39 39 VAL H H 39 9.040 9.040 7.788 1.252 18156 1196 1 3 . 1 1 40 40 ASN N N 40 125.000 125.000 125.435 -0.435 18156 1197 1 3 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.239 0.221 18156 1198 1 3 . 1 1 40 40 ASN C C 40 173.300 173.300 174.583 -1.283 18156 1199 1 3 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.735 -0.635 18156 1200 1 3 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.306 -0.306 18156 1201 1 3 . 1 1 40 40 ASN H H 40 9.060 9.060 9.307 -0.247 18156 1202 1 3 . 1 1 41 41 LYS N N 41 109.900 109.900 110.339 -0.439 18156 1203 1 3 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.772 -0.532 18156 1204 1 3 . 1 1 41 41 LYS C C 41 175.000 175.000 175.835 -0.835 18156 1205 1 3 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.061 0.239 18156 1206 1 3 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.167 0.433 18156 1207 1 3 . 1 1 41 41 LYS H H 41 9.250 9.250 8.475 0.775 18156 1208 1 3 . 1 1 42 42 ARG N N 42 115.800 115.800 114.932 0.868 18156 1209 1 3 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.550 0.160 18156 1210 1 3 . 1 1 42 42 ARG C C 42 174.900 174.900 175.687 -0.787 18156 1211 1 3 . 1 1 42 42 ARG CA C 42 57.200 57.200 57.273 -0.073 18156 1212 1 3 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.842 1.358 18156 1213 1 3 . 1 1 42 42 ARG H H 42 8.110 8.110 7.372 0.738 18156 1214 1 3 . 1 1 43 43 PHE N N 43 115.100 115.100 114.660 0.440 18156 1215 1 3 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.983 0.177 18156 1216 1 3 . 1 1 43 43 PHE C C 43 171.200 171.200 172.563 -1.363 18156 1217 1 3 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.247 -0.547 18156 1218 1 3 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.367 -0.268 18156 1219 1 3 . 1 1 43 43 PHE H H 43 7.610 7.610 7.339 0.271 18156 1220 1 3 . 1 1 44 44 VAL N N 44 121.200 121.200 119.127 2.073 18156 1221 1 3 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.389 0.201 18156 1222 1 3 . 1 1 44 44 VAL C C 44 174.600 174.600 175.020 -0.420 18156 1223 1 3 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.460 -0.660 18156 1224 1 3 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.269 -1.369 18156 1225 1 3 . 1 1 44 44 VAL H H 44 9.030 9.030 8.555 0.475 18156 1226 1 3 . 1 1 45 45 ARG N N 45 125.000 125.000 126.646 -1.646 18156 1227 1 3 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.832 0.128 18156 1228 1 3 . 1 1 45 45 ARG C C 45 175.400 175.400 175.387 0.013 18156 1229 1 3 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.769 0.231 18156 1230 1 3 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.444 1.756 18156 1231 1 3 . 1 1 45 45 ARG H H 45 9.320 9.320 8.640 0.680 18156 1232 1 3 . 1 1 46 46 VAL N N 46 127.200 127.200 127.476 -0.276 18156 1233 1 3 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.040 0.070 18156 1234 1 3 . 1 1 46 46 VAL C C 46 174.700 174.700 175.052 -0.352 18156 1235 1 3 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.441 -0.241 18156 1236 1 3 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.569 1.531 18156 1237 1 3 . 1 1 46 46 VAL H H 46 8.770 8.770 8.395 0.375 18156 1238 1 3 . 1 1 47 47 THR N N 47 120.800 120.800 124.979 -4.179 18156 1239 1 3 . 1 1 47 47 THR HA H 47 4.700 4.700 4.402 0.298 18156 1240 1 3 . 1 1 47 47 THR C C 47 174.500 174.500 173.863 0.637 18156 1241 1 3 . 1 1 47 47 THR CA C 47 61.300 61.300 62.330 -1.030 18156 1242 1 3 . 1 1 47 47 THR CB C 47 69.800 69.800 69.479 0.321 18156 1243 1 3 . 1 1 47 47 THR H H 47 8.110 8.110 8.310 -0.200 18156 1244 1 3 . 1 1 48 48 PHE N N 48 125.700 125.700 125.617 0.083 18156 1245 1 3 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.851 0.499 18156 1246 1 3 . 1 1 48 48 PHE C C 48 176.000 176.000 177.159 -1.159 18156 1247 1 3 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.111 0.189 18156 1248 1 3 . 1 1 48 48 PHE CB C 48 41.400 41.400 39.848 1.552 18156 1249 1 3 . 1 1 48 48 PHE H H 48 9.000 9.000 8.635 0.365 18156 1250 1 3 . 1 1 49 49 THR N N 49 118.900 118.900 118.180 0.720 18156 1251 1 3 . 1 1 49 49 THR HA H 49 4.330 4.330 4.599 -0.269 18156 1252 1 3 . 1 1 49 49 THR CA C 49 61.200 61.200 60.523 0.677 18156 1253 1 3 . 1 1 49 49 THR CB C 49 69.400 69.400 70.110 -0.710 18156 1254 1 3 . 1 1 49 49 THR H H 49 8.620 8.620 8.593 0.027 18156 1255 1 3 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.326 0.034 18156 1256 1 3 . 1 1 50 50 PRO C C 50 177.700 177.700 177.493 0.207 18156 1257 1 3 . 1 1 50 50 PRO CA C 50 64.500 64.500 65.045 -0.545 18156 1258 1 3 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.924 -0.124 18156 1259 1 3 . 1 1 51 51 GLY N N 51 111.300 111.300 104.955 6.345 18156 1260 1 3 . 1 1 51 51 GLY C C 51 175.200 175.200 175.714 -0.514 18156 1261 1 3 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.774 -0.374 18156 1262 1 3 . 1 1 51 51 GLY H H 51 8.880 8.880 8.486 0.394 18156 1263 1 3 . 1 1 52 52 LYS N N 52 118.900 118.900 121.387 -2.487 18156 1264 1 3 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.214 0.356 18156 1265 1 3 . 1 1 52 52 LYS C C 52 175.800 175.800 177.088 -1.288 18156 1266 1 3 . 1 1 52 52 LYS CA C 52 54.800 54.800 57.479 -2.679 18156 1267 1 3 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.304 -0.705 18156 1268 1 3 . 1 1 52 52 LYS H H 52 8.110 8.110 7.487 0.623 18156 1269 1 3 . 1 1 53 53 THR N N 53 114.700 114.700 118.638 -3.938 18156 1270 1 3 . 1 1 53 53 THR HA H 53 4.180 4.180 4.444 -0.264 18156 1271 1 3 . 1 1 53 53 THR CA C 53 60.400 60.400 62.322 -1.921 18156 1272 1 3 . 1 1 53 53 THR CB C 53 69.100 69.100 68.767 0.333 18156 1273 1 3 . 1 1 53 53 THR H H 53 7.700 7.700 7.772 -0.072 18156 1274 1 3 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.729 -0.319 18156 1275 1 3 . 1 1 54 54 PRO C C 54 177.500 177.500 178.052 -0.552 18156 1276 1 3 . 1 1 54 54 PRO CA C 54 63.200 63.200 61.899 1.301 18156 1277 1 3 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.428 -0.128 18156 1278 1 3 . 1 1 55 55 VAL N N 55 119.300 119.300 114.638 4.662 18156 1279 1 3 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.872 0.128 18156 1280 1 3 . 1 1 55 55 VAL C C 55 176.000 176.000 176.300 -0.300 18156 1281 1 3 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.364 -1.064 18156 1282 1 3 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.160 1.240 18156 1283 1 3 . 1 1 55 55 VAL H H 55 8.190 8.190 8.308 -0.118 18156 1284 1 3 . 1 1 56 56 ASP N N 56 120.300 120.300 120.570 -0.270 18156 1285 1 3 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.396 0.174 18156 1286 1 3 . 1 1 56 56 ASP C C 56 177.000 177.000 176.854 0.146 18156 1287 1 3 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.362 -1.062 18156 1288 1 3 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.556 0.144 18156 1289 1 3 . 1 1 56 56 ASP H H 56 8.170 8.170 8.072 0.098 18156 1290 1 3 . 1 1 57 57 GLY N N 57 108.300 108.300 108.998 -0.698 18156 1291 1 3 . 1 1 57 57 GLY C C 57 173.700 173.700 173.915 -0.215 18156 1292 1 3 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.524 0.276 18156 1293 1 3 . 1 1 57 57 GLY H H 57 8.110 8.110 7.697 0.413 18156 1294 1 3 . 1 1 58 58 GLN N N 58 118.900 118.900 123.130 -4.230 18156 1295 1 3 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.643 -0.143 18156 1296 1 3 . 1 1 58 58 GLN C C 58 175.700 175.700 174.571 1.129 18156 1297 1 3 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.852 1.347 18156 1298 1 3 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.796 0.404 18156 1299 1 3 . 1 1 58 58 GLN H H 58 8.070 8.070 8.390 -0.320 18156 1300 1 3 . 1 1 59 59 TYR N N 59 118.800 118.800 122.453 -3.653 18156 1301 1 3 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.081 0.049 18156 1302 1 3 . 1 1 59 59 TYR C C 59 177.500 177.500 173.479 4.021 18156 1303 1 3 . 1 1 59 59 TYR CA C 59 56.700 56.700 55.102 1.598 18156 1304 1 3 . 1 1 59 59 TYR CB C 59 39.300 39.300 40.526 -1.226 18156 1305 1 3 . 1 1 59 59 TYR H H 59 8.110 8.110 8.142 -0.032 18156 1306 1 3 . 1 1 60 60 VAL N N 60 115.600 115.600 114.123 1.477 18156 1307 1 3 . 1 1 60 60 VAL HA H 60 5.500 5.500 4.976 0.524 18156 1308 1 3 . 1 1 60 60 VAL C C 60 174.700 174.700 174.669 0.031 18156 1309 1 3 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.077 -0.077 18156 1310 1 3 . 1 1 60 60 VAL CB C 60 35.000 35.000 36.013 -1.013 18156 1311 1 3 . 1 1 60 60 VAL H H 60 8.250 8.250 7.976 0.274 18156 1312 1 3 . 1 1 61 61 TRP N N 61 120.800 120.800 117.130 3.670 18156 1313 1 3 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.400 0.520 18156 1314 1 3 . 1 1 61 61 TRP C C 61 172.700 172.700 173.623 -0.923 18156 1315 1 3 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.886 -0.886 18156 1316 1 3 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.362 0.538 18156 1317 1 3 . 1 1 61 61 TRP H H 61 8.500 8.500 8.433 0.067 18156 1318 1 3 . 1 1 62 62 PHE N N 62 112.100 112.100 114.857 -2.757 18156 1319 1 3 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.995 0.045 18156 1320 1 3 . 1 1 62 62 PHE C C 62 174.800 174.800 173.779 1.021 18156 1321 1 3 . 1 1 62 62 PHE CA C 62 55.400 55.400 55.982 -0.582 18156 1322 1 3 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.714 0.186 18156 1323 1 3 . 1 1 62 62 PHE H H 62 8.700 8.700 8.825 -0.125 18156 1324 1 3 . 1 1 63 63 ASN N N 63 120.800 120.800 119.335 1.465 18156 1325 1 3 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.907 0.253 18156 1326 1 3 . 1 1 63 63 ASN C C 63 175.800 175.800 175.097 0.703 18156 1327 1 3 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.484 1.616 18156 1328 1 3 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.366 1.234 18156 1329 1 3 . 1 1 63 63 ASN H H 63 9.340 9.340 8.614 0.726 18156 1330 1 3 . 1 1 64 64 ILE N N 64 113.400 113.400 116.254 -2.854 18156 1331 1 3 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.673 -0.023 18156 1332 1 3 . 1 1 64 64 ILE C C 64 175.300 175.300 175.247 0.053 18156 1333 1 3 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.658 0.442 18156 1334 1 3 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.676 1.424 18156 1335 1 3 . 1 1 64 64 ILE H H 64 7.820 7.820 7.878 -0.058 18156 1336 1 3 . 1 1 65 65 GLY N N 65 110.700 110.700 111.878 -1.178 18156 1337 1 3 . 1 1 65 65 GLY C C 65 174.300 174.300 175.087 -0.787 18156 1338 1 3 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.833 -0.033 18156 1339 1 3 . 1 1 65 65 GLY H H 65 8.570 8.570 8.659 -0.089 18156 1340 1 3 . 1 1 66 66 SER N N 66 113.800 113.800 116.753 -2.953 18156 1341 1 3 . 1 1 66 66 SER HA H 66 4.730 4.730 4.739 -0.009 18156 1342 1 3 . 1 1 66 66 SER C C 66 175.500 175.500 174.620 0.880 18156 1343 1 3 . 1 1 66 66 SER CA C 66 56.800 56.800 57.186 -0.386 18156 1344 1 3 . 1 1 66 66 SER CB C 66 64.500 64.500 66.071 -1.571 18156 1345 1 3 . 1 1 66 66 SER H H 66 7.680 7.680 7.976 -0.296 18156 1346 1 3 . 1 1 67 67 VAL N N 67 127.000 127.000 126.949 0.051 18156 1347 1 3 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.795 0.025 18156 1348 1 3 . 1 1 67 67 VAL C C 67 176.700 176.700 177.542 -0.842 18156 1349 1 3 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.133 0.467 18156 1350 1 3 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.666 0.034 18156 1351 1 3 . 1 1 67 67 VAL H H 67 9.150 9.150 8.936 0.214 18156 1352 1 3 . 1 1 68 68 ASP N N 68 118.800 118.800 117.849 0.951 18156 1353 1 3 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.730 -0.280 18156 1354 1 3 . 1 1 68 68 ASP C C 68 178.700 178.700 178.164 0.536 18156 1355 1 3 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.447 -0.147 18156 1356 1 3 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.476 0.224 18156 1357 1 3 . 1 1 68 68 ASP H H 68 8.320 8.320 8.676 -0.356 18156 1358 1 3 . 1 1 69 69 THR N N 69 114.500 114.500 115.520 -1.020 18156 1359 1 3 . 1 1 69 69 THR HA H 69 3.910 3.910 4.054 -0.144 18156 1360 1 3 . 1 1 69 69 THR C C 69 175.500 175.500 176.229 -0.729 18156 1361 1 3 . 1 1 69 69 THR CA C 69 65.600 65.600 65.897 -0.297 18156 1362 1 3 . 1 1 69 69 THR CB C 69 68.900 68.900 68.334 0.566 18156 1363 1 3 . 1 1 69 69 THR H H 69 7.710 7.710 7.947 -0.237 18156 1364 1 3 . 1 1 70 70 PHE N N 70 122.800 122.800 122.551 0.249 18156 1365 1 3 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.839 0.481 18156 1366 1 3 . 1 1 70 70 PHE C C 70 176.000 176.000 176.650 -0.650 18156 1367 1 3 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.312 -0.812 18156 1368 1 3 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.980 0.120 18156 1369 1 3 . 1 1 70 70 PHE H H 70 7.680 7.680 8.542 -0.862 18156 1370 1 3 . 1 1 71 71 GLU N N 71 118.400 118.400 117.787 0.613 18156 1371 1 3 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.634 -0.264 18156 1372 1 3 . 1 1 71 71 GLU C C 71 179.900 179.900 178.804 1.096 18156 1373 1 3 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.346 0.854 18156 1374 1 3 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.188 0.012 18156 1375 1 3 . 1 1 71 71 GLU H H 71 8.660 8.660 8.371 0.289 18156 1376 1 3 . 1 1 72 72 ARG N N 72 119.500 119.500 119.402 0.098 18156 1377 1 3 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.984 0.176 18156 1378 1 3 . 1 1 72 72 ARG C C 72 179.200 179.200 178.582 0.618 18156 1379 1 3 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.695 -0.595 18156 1380 1 3 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.205 -0.105 18156 1381 1 3 . 1 1 72 72 ARG H H 72 7.960 7.960 7.765 0.195 18156 1382 1 3 . 1 1 73 73 ASN N N 73 119.900 119.900 118.621 1.279 18156 1383 1 3 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.490 0.020 18156 1384 1 3 . 1 1 73 73 ASN C C 73 178.100 178.100 177.417 0.683 18156 1385 1 3 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.979 -0.479 18156 1386 1 3 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.072 -0.672 18156 1387 1 3 . 1 1 73 73 ASN H H 73 8.610 8.610 8.215 0.395 18156 1388 1 3 . 1 1 74 74 LEU N N 74 121.900 121.900 122.099 -0.199 18156 1389 1 3 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.258 -0.008 18156 1390 1 3 . 1 1 74 74 LEU C C 74 179.100 179.100 178.645 0.455 18156 1391 1 3 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.627 -0.327 18156 1392 1 3 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.764 0.036 18156 1393 1 3 . 1 1 74 74 LEU H H 74 8.720 8.720 8.340 0.380 18156 1394 1 3 . 1 1 75 75 GLU N N 75 120.700 120.700 117.330 3.370 18156 1395 1 3 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.997 0.113 18156 1396 1 3 . 1 1 75 75 GLU C C 75 178.900 178.900 179.365 -0.465 18156 1397 1 3 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.480 0.420 18156 1398 1 3 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.997 0.303 18156 1399 1 3 . 1 1 75 75 GLU H H 75 8.070 8.070 8.145 -0.075 18156 1400 1 3 . 1 1 76 76 THR N N 76 115.700 115.700 117.036 -1.336 18156 1401 1 3 . 1 1 76 76 THR HA H 76 4.000 4.000 4.060 -0.060 18156 1402 1 3 . 1 1 76 76 THR C C 76 176.600 176.600 176.829 -0.229 18156 1403 1 3 . 1 1 76 76 THR CA C 76 66.500 66.500 66.177 0.323 18156 1404 1 3 . 1 1 76 76 THR CB C 76 69.000 69.000 68.737 0.263 18156 1405 1 3 . 1 1 76 76 THR H H 76 8.400 8.400 7.663 0.737 18156 1406 1 3 . 1 1 77 77 LEU N N 77 122.200 122.200 123.203 -1.003 18156 1407 1 3 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.204 0.056 18156 1408 1 3 . 1 1 77 77 LEU C C 77 179.200 179.200 178.852 0.348 18156 1409 1 3 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.124 -0.824 18156 1410 1 3 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.562 0.338 18156 1411 1 3 . 1 1 77 77 LEU H H 77 8.330 8.330 8.405 -0.075 18156 1412 1 3 . 1 1 78 78 GLN N N 78 115.700 115.700 117.551 -1.851 18156 1413 1 3 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.859 0.021 18156 1414 1 3 . 1 1 78 78 GLN C C 78 177.600 177.600 178.632 -1.032 18156 1415 1 3 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.252 2.048 18156 1416 1 3 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.570 0.830 18156 1417 1 3 . 1 1 78 78 GLN H H 78 8.200 8.200 8.294 -0.094 18156 1418 1 3 . 1 1 79 79 GLN N N 79 118.400 118.400 117.874 0.526 18156 1419 1 3 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.006 0.134 18156 1420 1 3 . 1 1 79 79 GLN C C 79 180.000 180.000 178.767 1.233 18156 1421 1 3 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.789 0.411 18156 1422 1 3 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.729 -0.529 18156 1423 1 3 . 1 1 79 79 GLN H H 79 7.980 7.980 7.975 0.005 18156 1424 1 3 . 1 1 80 80 GLU N N 80 121.700 121.700 119.696 2.004 18156 1425 1 3 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.118 -0.068 18156 1426 1 3 . 1 1 80 80 GLU C C 80 178.800 178.800 178.572 0.228 18156 1427 1 3 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.524 0.776 18156 1428 1 3 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.705 -0.105 18156 1429 1 3 . 1 1 80 80 GLU H H 80 8.400 8.400 7.885 0.515 18156 1430 1 3 . 1 1 81 81 LEU N N 81 117.200 117.200 118.096 -0.896 18156 1431 1 3 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.175 0.125 18156 1432 1 3 . 1 1 81 81 LEU C C 81 177.400 177.400 178.263 -0.863 18156 1433 1 3 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.991 -0.891 18156 1434 1 3 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.429 0.371 18156 1435 1 3 . 1 1 81 81 LEU H H 81 8.120 8.120 8.148 -0.028 18156 1436 1 3 . 1 1 82 82 GLY N N 82 108.900 108.900 106.187 2.713 18156 1437 1 3 . 1 1 82 82 GLY C C 82 174.600 174.600 174.733 -0.133 18156 1438 1 3 . 1 1 82 82 GLY CA C 82 46.300 46.300 44.998 1.302 18156 1439 1 3 . 1 1 82 82 GLY H H 82 7.840 7.840 7.618 0.222 18156 1440 1 3 . 1 1 83 83 ILE N N 83 121.900 121.900 124.724 -2.824 18156 1441 1 3 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.982 0.018 18156 1442 1 3 . 1 1 83 83 ILE C C 83 175.300 175.300 174.440 0.860 18156 1443 1 3 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.597 -1.097 18156 1444 1 3 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.980 -0.180 18156 1445 1 3 . 1 1 83 83 ILE H H 83 8.250 8.250 7.757 0.493 18156 1446 1 3 . 1 1 84 84 GLU N N 84 126.600 126.600 123.408 3.192 18156 1447 1 3 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.494 0.006 18156 1448 1 3 . 1 1 84 84 GLU C C 84 177.400 177.400 176.013 1.387 18156 1449 1 3 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.317 -0.017 18156 1450 1 3 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.438 0.162 18156 1451 1 3 . 1 1 84 84 GLU H H 84 8.760 8.760 8.041 0.719 18156 1452 1 3 . 1 1 85 85 GLY N N 85 109.400 109.400 111.726 -2.326 18156 1453 1 3 . 1 1 85 85 GLY C C 85 176.600 176.600 175.532 1.068 18156 1454 1 3 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.067 0.333 18156 1455 1 3 . 1 1 85 85 GLY H H 85 8.870 8.870 8.946 -0.076 18156 1456 1 3 . 1 1 86 86 GLU N N 86 123.900 123.900 123.543 0.357 18156 1457 1 3 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.203 0.047 18156 1458 1 3 . 1 1 86 86 GLU C C 86 176.200 176.200 176.780 -0.580 18156 1459 1 3 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.876 -0.076 18156 1460 1 3 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.768 -0.668 18156 1461 1 3 . 1 1 86 86 GLU H H 86 9.240 9.240 8.724 0.516 18156 1462 1 3 . 1 1 87 87 ASN N N 87 115.900 115.900 115.627 0.273 18156 1463 1 3 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.649 0.181 18156 1464 1 3 . 1 1 87 87 ASN C C 87 174.600 174.600 175.137 -0.537 18156 1465 1 3 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.654 -0.454 18156 1466 1 3 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.523 -0.123 18156 1467 1 3 . 1 1 87 87 ASN H H 87 8.050 8.050 7.807 0.243 18156 1468 1 3 . 1 1 88 88 ARG N N 88 119.300 119.300 121.548 -2.248 18156 1469 1 3 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.219 -0.169 18156 1470 1 3 . 1 1 88 88 ARG C C 88 176.600 176.600 176.365 0.235 18156 1471 1 3 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.823 -0.223 18156 1472 1 3 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.057 0.543 18156 1473 1 3 . 1 1 88 88 ARG H H 88 7.230 7.230 7.184 0.046 18156 1474 1 3 . 1 1 89 89 VAL N N 89 124.700 124.700 128.335 -3.635 18156 1475 1 3 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.197 0.093 18156 1476 1 3 . 1 1 89 89 VAL CA C 89 60.000 60.000 61.008 -1.008 18156 1477 1 3 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.720 1.380 18156 1478 1 3 . 1 1 89 89 VAL H H 89 8.780 8.780 8.406 0.374 18156 1479 1 3 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.491 0.019 18156 1480 1 3 . 1 1 90 90 PRO C C 90 175.100 175.100 175.545 -0.445 18156 1481 1 3 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.234 -0.134 18156 1482 1 3 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.309 0.291 18156 1483 1 3 . 1 1 91 91 VAL N N 91 121.600 121.600 122.787 -1.187 18156 1484 1 3 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.436 0.374 18156 1485 1 3 . 1 1 91 91 VAL C C 91 176.100 176.100 175.736 0.364 18156 1486 1 3 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.723 -0.423 18156 1487 1 3 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.960 1.240 18156 1488 1 3 . 1 1 91 91 VAL H H 91 8.030 8.030 8.261 -0.231 18156 1489 1 3 . 1 1 92 92 VAL N N 92 124.800 124.800 128.995 -4.195 18156 1490 1 3 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.264 0.276 18156 1491 1 3 . 1 1 92 92 VAL C C 92 173.600 173.600 175.029 -1.429 18156 1492 1 3 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.019 -1.319 18156 1493 1 3 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.284 2.616 18156 1494 1 3 . 1 1 92 92 VAL H H 92 8.640 8.640 8.443 0.197 18156 1495 1 3 . 1 1 93 93 TYR N N 93 124.700 124.700 128.043 -3.343 18156 1496 1 3 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.495 0.435 18156 1497 1 3 . 1 1 93 93 TYR C C 93 175.700 175.700 176.041 -0.341 18156 1498 1 3 . 1 1 93 93 TYR CA C 93 57.400 57.400 59.156 -1.756 18156 1499 1 3 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.727 0.773 18156 1500 1 3 . 1 1 93 93 TYR H H 93 8.800 8.800 8.580 0.220 18156 1501 1 3 . 1 1 94 94 ILE N N 94 123.100 123.100 125.921 -2.821 18156 1502 1 3 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.293 0.217 18156 1503 1 3 . 1 1 94 94 ILE C C 94 173.700 173.700 174.370 -0.670 18156 1504 1 3 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.383 -1.183 18156 1505 1 3 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.903 1.597 18156 1506 1 3 . 1 1 94 94 ILE H H 94 9.000 9.000 8.072 0.928 18156 1507 1 3 . 1 1 95 95 ALA N N 95 128.000 128.000 130.548 -2.548 18156 1508 1 3 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.544 0.446 18156 1509 1 3 . 1 1 95 95 ALA C C 95 177.000 177.000 176.702 0.298 18156 1510 1 3 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.807 -0.307 18156 1511 1 3 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.456 0.944 18156 1512 1 3 . 1 1 95 95 ALA H H 95 8.450 8.450 8.642 -0.192 18156 1513 1 3 . 1 1 96 96 GLU N N 96 122.200 122.200 125.799 -3.599 18156 1514 1 3 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.459 0.061 18156 1515 1 3 . 1 1 96 96 GLU C C 96 176.000 176.000 175.249 0.751 18156 1516 1 3 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.428 0.072 18156 1517 1 3 . 1 1 96 96 GLU CB C 96 32.800 32.800 29.643 3.157 18156 1518 1 3 . 1 1 96 96 GLU H H 96 8.850 8.850 8.373 0.477 18156 1519 1 3 . 1 1 97 97 SER N N 97 118.600 118.600 120.297 -1.697 18156 1520 1 3 . 1 1 97 97 SER HA H 97 4.430 4.430 4.683 -0.253 18156 1521 1 3 . 1 1 97 97 SER C C 97 174.200 174.200 174.626 -0.426 18156 1522 1 3 . 1 1 97 97 SER CA C 97 58.500 58.500 57.869 0.631 18156 1523 1 3 . 1 1 97 97 SER CB C 97 63.800 63.800 64.307 -0.507 18156 1524 1 3 . 1 1 97 97 SER H H 97 8.650 8.650 8.539 0.111 18156 1525 1 3 . 1 1 98 98 ASP N N 98 123.200 123.200 125.564 -2.364 18156 1526 1 3 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.301 0.369 18156 1527 1 3 . 1 1 98 98 ASP C C 98 175.500 175.500 176.657 -1.157 18156 1528 1 3 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.536 -1.136 18156 1529 1 3 . 1 1 98 98 ASP CB C 98 41.400 41.400 40.371 1.029 18156 1530 1 3 . 1 1 98 98 ASP H H 98 8.500 8.500 8.662 -0.162 18156 1531 1 4 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.518 -2.018 18156 1532 1 4 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.874 -0.284 18156 1533 1 4 . 1 1 10 10 HIS C C 10 175.500 175.500 174.668 0.832 18156 1534 1 4 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.301 1.199 18156 1535 1 4 . 1 1 10 10 HIS CB C 10 30.200 30.200 28.670 1.530 18156 1536 1 4 . 1 1 11 11 MET N N 11 120.900 120.900 120.616 0.284 18156 1537 1 4 . 1 1 11 11 MET HA H 11 4.290 4.290 4.354 -0.064 18156 1538 1 4 . 1 1 11 11 MET C C 11 176.300 176.300 176.996 -0.696 18156 1539 1 4 . 1 1 11 11 MET CA C 11 55.900 55.900 56.182 -0.282 18156 1540 1 4 . 1 1 11 11 MET CB C 11 32.700 32.700 32.778 -0.078 18156 1541 1 4 . 1 1 11 11 MET H H 11 8.210 8.210 8.111 0.099 18156 1542 1 4 . 1 1 12 12 LYS N N 12 122.100 122.100 119.945 2.155 18156 1543 1 4 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.277 -0.147 18156 1544 1 4 . 1 1 12 12 LYS C C 12 176.700 176.700 175.939 0.761 18156 1545 1 4 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.429 0.371 18156 1546 1 4 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.142 1.658 18156 1547 1 4 . 1 1 12 12 LYS H H 12 8.300 8.300 8.091 0.209 18156 1548 1 4 . 1 1 13 13 ARG N N 13 121.500 121.500 124.798 -3.298 18156 1549 1 4 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.443 -0.173 18156 1550 1 4 . 1 1 13 13 ARG C C 13 176.200 176.200 174.887 1.313 18156 1551 1 4 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.162 0.038 18156 1552 1 4 . 1 1 13 13 ARG CB C 13 30.800 30.800 33.330 -2.530 18156 1553 1 4 . 1 1 13 13 ARG H H 13 8.160 8.160 8.098 0.062 18156 1554 1 4 . 1 1 14 14 SER N N 14 116.700 116.700 123.148 -6.448 18156 1555 1 4 . 1 1 14 14 SER HA H 14 4.530 4.530 4.344 0.186 18156 1556 1 4 . 1 1 14 14 SER C C 14 173.600 173.600 173.612 -0.012 18156 1557 1 4 . 1 1 14 14 SER CA C 14 58.300 58.300 58.688 -0.388 18156 1558 1 4 . 1 1 14 14 SER CB C 14 64.100 64.100 62.084 2.016 18156 1559 1 4 . 1 1 14 14 SER H H 14 8.160 8.160 8.844 -0.684 18156 1560 1 4 . 1 1 15 15 GLY N N 15 109.300 109.300 109.728 -0.428 18156 1561 1 4 . 1 1 15 15 GLY C C 15 173.000 173.000 173.210 -0.210 18156 1562 1 4 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.316 0.384 18156 1563 1 4 . 1 1 15 15 GLY H H 15 8.100 8.100 7.861 0.239 18156 1564 1 4 . 1 1 16 16 ARG N N 16 122.300 122.300 123.447 -1.147 18156 1565 1 4 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.527 0.003 18156 1566 1 4 . 1 1 16 16 ARG C C 16 173.200 173.200 175.196 -1.996 18156 1567 1 4 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.969 0.331 18156 1568 1 4 . 1 1 16 16 ARG CB C 16 32.900 32.900 32.373 0.527 18156 1569 1 4 . 1 1 16 16 ARG H H 16 8.460 8.460 8.657 -0.197 18156 1570 1 4 . 1 1 17 17 GLU N N 17 126.800 126.800 127.538 -0.738 18156 1571 1 4 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.802 -0.582 18156 1572 1 4 . 1 1 17 17 GLU C C 17 177.000 177.000 176.101 0.899 18156 1573 1 4 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.833 -0.833 18156 1574 1 4 . 1 1 17 17 GLU CB C 17 30.100 30.100 30.081 0.019 18156 1575 1 4 . 1 1 17 17 GLU H H 17 8.190 8.190 8.498 -0.308 18156 1576 1 4 . 1 1 18 18 ILE N N 18 122.600 122.600 121.853 0.747 18156 1577 1 4 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.684 0.276 18156 1578 1 4 . 1 1 18 18 ILE C C 18 174.600 174.600 174.759 -0.159 18156 1579 1 4 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.588 0.612 18156 1580 1 4 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.555 0.345 18156 1581 1 4 . 1 1 18 18 ILE H H 18 8.870 8.870 8.497 0.373 18156 1582 1 4 . 1 1 19 19 THR N N 19 108.700 108.700 110.708 -2.008 18156 1583 1 4 . 1 1 19 19 THR HA H 19 4.760 4.760 4.522 0.238 18156 1584 1 4 . 1 1 19 19 THR C C 19 175.400 175.400 175.797 -0.397 18156 1585 1 4 . 1 1 19 19 THR CA C 19 59.800 59.800 60.936 -1.136 18156 1586 1 4 . 1 1 19 19 THR CB C 19 72.100 72.100 71.002 1.098 18156 1587 1 4 . 1 1 19 19 THR H H 19 8.140 8.140 8.120 0.020 18156 1588 1 4 . 1 1 20 20 TRP N N 20 121.900 121.900 124.714 -2.814 18156 1589 1 4 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.831 0.069 18156 1590 1 4 . 1 1 20 20 TRP C C 20 176.600 176.600 176.760 -0.160 18156 1591 1 4 . 1 1 20 20 TRP CA C 20 60.000 60.000 61.405 -1.405 18156 1592 1 4 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.406 -0.106 18156 1593 1 4 . 1 1 20 20 TRP H H 20 9.060 9.060 8.884 0.176 18156 1594 1 4 . 1 1 21 21 LYS N N 21 116.900 116.900 116.514 0.386 18156 1595 1 4 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.741 -0.081 18156 1596 1 4 . 1 1 21 21 LYS C C 21 178.200 178.200 178.127 0.073 18156 1597 1 4 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.152 0.548 18156 1598 1 4 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.791 0.409 18156 1599 1 4 . 1 1 21 21 LYS H H 21 8.320 8.320 8.268 0.052 18156 1600 1 4 . 1 1 22 22 ASP N N 22 119.000 119.000 121.032 -2.032 18156 1601 1 4 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.340 -0.070 18156 1602 1 4 . 1 1 22 22 ASP C C 22 178.500 178.500 178.105 0.395 18156 1603 1 4 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.423 -0.423 18156 1604 1 4 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.993 0.307 18156 1605 1 4 . 1 1 22 22 ASP H H 22 7.670 7.670 7.571 0.099 18156 1606 1 4 . 1 1 23 23 PHE N N 23 120.000 120.000 121.479 -1.479 18156 1607 1 4 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.376 -0.126 18156 1608 1 4 . 1 1 23 23 PHE C C 23 177.500 177.500 177.128 0.372 18156 1609 1 4 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.856 -0.056 18156 1610 1 4 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.712 -1.112 18156 1611 1 4 . 1 1 23 23 PHE H H 23 8.430 8.430 7.938 0.492 18156 1612 1 4 . 1 1 24 24 VAL N N 24 120.700 120.700 118.355 2.345 18156 1613 1 4 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.852 -0.122 18156 1614 1 4 . 1 1 24 24 VAL C C 24 178.200 178.200 177.914 0.286 18156 1615 1 4 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.284 0.616 18156 1616 1 4 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.502 1.598 18156 1617 1 4 . 1 1 24 24 VAL H H 24 8.250 8.250 7.512 0.738 18156 1618 1 4 . 1 1 25 25 ASN N N 25 116.700 116.700 117.683 -0.983 18156 1619 1 4 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.291 -0.091 18156 1620 1 4 . 1 1 25 25 ASN C C 25 176.200 176.200 177.777 -1.577 18156 1621 1 4 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.190 -0.190 18156 1622 1 4 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.466 0.234 18156 1623 1 4 . 1 1 25 25 ASN H H 25 8.260 8.260 8.097 0.163 18156 1624 1 4 . 1 1 26 26 ASN N N 26 112.300 112.300 117.336 -5.036 18156 1625 1 4 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.406 0.194 18156 1626 1 4 . 1 1 26 26 ASN C C 26 174.500 174.500 175.897 -1.397 18156 1627 1 4 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.069 -1.469 18156 1628 1 4 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.505 0.295 18156 1629 1 4 . 1 1 26 26 ASN H H 26 8.490 8.490 7.858 0.632 18156 1630 1 4 . 1 1 27 27 TYR N N 27 113.700 113.700 116.993 -3.293 18156 1631 1 4 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.636 0.194 18156 1632 1 4 . 1 1 27 27 TYR C C 27 176.500 176.500 177.061 -0.561 18156 1633 1 4 . 1 1 27 27 TYR CA C 27 58.200 58.200 60.104 -1.904 18156 1634 1 4 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.278 0.022 18156 1635 1 4 . 1 1 27 27 TYR H H 27 7.000 7.000 7.433 -0.433 18156 1636 1 4 . 1 1 28 28 LEU N N 28 122.700 122.700 120.777 1.923 18156 1637 1 4 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.849 -0.019 18156 1638 1 4 . 1 1 28 28 LEU C C 28 179.700 179.700 179.015 0.685 18156 1639 1 4 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.619 0.681 18156 1640 1 4 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.218 0.182 18156 1641 1 4 . 1 1 28 28 LEU H H 28 8.180 8.180 8.094 0.086 18156 1642 1 4 . 1 1 29 29 SER N N 29 109.300 109.300 115.184 -5.884 18156 1643 1 4 . 1 1 29 29 SER HA H 29 4.120 4.120 4.191 -0.071 18156 1644 1 4 . 1 1 29 29 SER C C 29 174.000 174.000 175.482 -1.482 18156 1645 1 4 . 1 1 29 29 SER CA C 29 60.300 60.300 61.068 -0.768 18156 1646 1 4 . 1 1 29 29 SER CB C 29 63.100 63.100 62.769 0.331 18156 1647 1 4 . 1 1 29 29 SER H H 29 7.940 7.940 8.184 -0.244 18156 1648 1 4 . 1 1 30 30 LYS N N 30 117.200 117.200 118.517 -1.317 18156 1649 1 4 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.389 0.071 18156 1650 1 4 . 1 1 30 30 LYS C C 30 177.200 177.200 176.520 0.680 18156 1651 1 4 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.635 -0.835 18156 1652 1 4 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.795 0.204 18156 1653 1 4 . 1 1 30 30 LYS H H 30 6.680 6.680 7.176 -0.496 18156 1654 1 4 . 1 1 31 31 GLY N N 31 107.100 107.100 108.082 -0.982 18156 1655 1 4 . 1 1 31 31 GLY C C 31 175.700 175.700 175.310 0.390 18156 1656 1 4 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.224 1.176 18156 1657 1 4 . 1 1 31 31 GLY H H 31 7.660 7.660 7.681 -0.021 18156 1658 1 4 . 1 1 32 32 VAL N N 32 107.300 107.300 111.300 -4.000 18156 1659 1 4 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.378 0.252 18156 1660 1 4 . 1 1 32 32 VAL C C 32 174.800 174.800 175.861 -1.061 18156 1661 1 4 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.981 -1.181 18156 1662 1 4 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.196 -0.096 18156 1663 1 4 . 1 1 32 32 VAL H H 32 6.910 6.910 7.510 -0.600 18156 1664 1 4 . 1 1 33 33 VAL N N 33 122.000 122.000 120.834 1.166 18156 1665 1 4 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.660 -0.660 18156 1666 1 4 . 1 1 33 33 VAL C C 33 174.500 174.500 176.232 -1.732 18156 1667 1 4 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.327 1.973 18156 1668 1 4 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.981 -0.881 18156 1669 1 4 . 1 1 33 33 VAL H H 33 8.180 8.180 7.629 0.551 18156 1670 1 4 . 1 1 34 34 ASP N N 34 128.200 128.200 126.497 1.703 18156 1671 1 4 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.611 0.149 18156 1672 1 4 . 1 1 34 34 ASP C C 34 175.400 175.400 175.577 -0.177 18156 1673 1 4 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.051 -0.751 18156 1674 1 4 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.957 0.643 18156 1675 1 4 . 1 1 34 34 ASP H H 34 9.150 9.150 8.903 0.247 18156 1676 1 4 . 1 1 35 35 ARG N N 35 112.200 112.200 112.794 -0.594 18156 1677 1 4 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.564 0.056 18156 1678 1 4 . 1 1 35 35 ARG C C 35 172.900 172.900 173.757 -0.857 18156 1679 1 4 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.732 0.568 18156 1680 1 4 . 1 1 35 35 ARG CB C 35 33.100 33.100 32.545 0.555 18156 1681 1 4 . 1 1 35 35 ARG H H 35 7.440 7.440 7.335 0.105 18156 1682 1 4 . 1 1 36 36 LEU N N 36 120.400 120.400 121.352 -0.952 18156 1683 1 4 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.097 -0.077 18156 1684 1 4 . 1 1 36 36 LEU C C 36 174.800 174.800 175.515 -0.715 18156 1685 1 4 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.564 -0.564 18156 1686 1 4 . 1 1 36 36 LEU CB C 36 43.900 43.900 44.285 -0.385 18156 1687 1 4 . 1 1 36 36 LEU H H 36 8.410 8.410 8.532 -0.122 18156 1688 1 4 . 1 1 37 37 GLU N N 37 120.800 120.800 124.367 -3.567 18156 1689 1 4 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.835 0.096 18156 1690 1 4 . 1 1 37 37 GLU C C 37 174.400 174.400 176.040 -1.640 18156 1691 1 4 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.643 -1.343 18156 1692 1 4 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.455 1.245 18156 1693 1 4 . 1 1 37 37 GLU H H 37 8.470 8.470 8.573 -0.103 18156 1694 1 4 . 1 1 38 38 VAL N N 38 125.600 125.600 127.751 -2.151 18156 1695 1 4 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.850 0.160 18156 1696 1 4 . 1 1 38 38 VAL C C 38 175.500 175.500 174.775 0.725 18156 1697 1 4 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.756 -0.356 18156 1698 1 4 . 1 1 38 38 VAL CB C 38 30.800 30.800 31.071 -0.271 18156 1699 1 4 . 1 1 38 38 VAL H H 38 9.130 9.130 8.493 0.637 18156 1700 1 4 . 1 1 39 39 VAL N N 39 131.700 131.700 128.570 3.130 18156 1701 1 4 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.336 -0.156 18156 1702 1 4 . 1 1 39 39 VAL C C 39 175.600 175.600 176.446 -0.846 18156 1703 1 4 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.872 0.828 18156 1704 1 4 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.636 0.164 18156 1705 1 4 . 1 1 39 39 VAL H H 39 9.040 9.040 7.454 1.586 18156 1706 1 4 . 1 1 40 40 ASN N N 40 125.000 125.000 124.857 0.143 18156 1707 1 4 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.243 0.217 18156 1708 1 4 . 1 1 40 40 ASN C C 40 173.300 173.300 174.549 -1.249 18156 1709 1 4 . 1 1 40 40 ASN CA C 40 54.100 54.100 55.050 -0.950 18156 1710 1 4 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.097 -0.097 18156 1711 1 4 . 1 1 40 40 ASN H H 40 9.060 9.060 9.097 -0.037 18156 1712 1 4 . 1 1 41 41 LYS N N 41 109.900 109.900 111.043 -1.143 18156 1713 1 4 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.827 -0.587 18156 1714 1 4 . 1 1 41 41 LYS C C 41 175.000 175.000 175.763 -0.763 18156 1715 1 4 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.082 0.218 18156 1716 1 4 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.637 -0.037 18156 1717 1 4 . 1 1 41 41 LYS H H 41 9.250 9.250 7.746 1.504 18156 1718 1 4 . 1 1 42 42 ARG N N 42 115.800 115.800 115.274 0.526 18156 1719 1 4 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.417 0.293 18156 1720 1 4 . 1 1 42 42 ARG C C 42 174.900 174.900 176.156 -1.256 18156 1721 1 4 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.078 -0.878 18156 1722 1 4 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.925 2.275 18156 1723 1 4 . 1 1 42 42 ARG H H 42 8.110 8.110 7.645 0.465 18156 1724 1 4 . 1 1 43 43 PHE N N 43 115.100 115.100 112.839 2.261 18156 1725 1 4 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.883 0.277 18156 1726 1 4 . 1 1 43 43 PHE C C 43 171.200 171.200 172.565 -1.365 18156 1727 1 4 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.123 -0.423 18156 1728 1 4 . 1 1 43 43 PHE CB C 43 41.100 41.100 40.987 0.113 18156 1729 1 4 . 1 1 43 43 PHE H H 43 7.610 7.610 7.450 0.160 18156 1730 1 4 . 1 1 44 44 VAL N N 44 121.200 121.200 118.149 3.051 18156 1731 1 4 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.918 0.672 18156 1732 1 4 . 1 1 44 44 VAL C C 44 174.600 174.600 174.206 0.394 18156 1733 1 4 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.539 -0.739 18156 1734 1 4 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.770 -0.870 18156 1735 1 4 . 1 1 44 44 VAL H H 44 9.030 9.030 8.364 0.666 18156 1736 1 4 . 1 1 45 45 ARG N N 45 125.000 125.000 127.494 -2.494 18156 1737 1 4 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.507 0.453 18156 1738 1 4 . 1 1 45 45 ARG C C 45 175.400 175.400 174.841 0.559 18156 1739 1 4 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.578 0.422 18156 1740 1 4 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.589 1.611 18156 1741 1 4 . 1 1 45 45 ARG H H 45 9.320 9.320 8.358 0.962 18156 1742 1 4 . 1 1 46 46 VAL N N 46 127.200 127.200 129.547 -2.347 18156 1743 1 4 . 1 1 46 46 VAL HA H 46 4.110 4.110 3.964 0.146 18156 1744 1 4 . 1 1 46 46 VAL C C 46 174.700 174.700 174.900 -0.200 18156 1745 1 4 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.241 -0.041 18156 1746 1 4 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.413 1.687 18156 1747 1 4 . 1 1 46 46 VAL H H 46 8.770 8.770 8.408 0.362 18156 1748 1 4 . 1 1 47 47 THR N N 47 120.800 120.800 124.260 -3.460 18156 1749 1 4 . 1 1 47 47 THR HA H 47 4.700 4.700 4.427 0.273 18156 1750 1 4 . 1 1 47 47 THR C C 47 174.500 174.500 173.913 0.587 18156 1751 1 4 . 1 1 47 47 THR CA C 47 61.300 61.300 62.130 -0.830 18156 1752 1 4 . 1 1 47 47 THR CB C 47 69.800 69.800 69.896 -0.096 18156 1753 1 4 . 1 1 47 47 THR H H 47 8.110 8.110 8.177 -0.067 18156 1754 1 4 . 1 1 48 48 PHE N N 48 125.700 125.700 125.564 0.136 18156 1755 1 4 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.088 0.262 18156 1756 1 4 . 1 1 48 48 PHE C C 48 176.000 176.000 177.225 -1.225 18156 1757 1 4 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.334 -0.034 18156 1758 1 4 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.089 1.311 18156 1759 1 4 . 1 1 48 48 PHE H H 48 9.000 9.000 8.757 0.243 18156 1760 1 4 . 1 1 49 49 THR N N 49 118.900 118.900 119.232 -0.332 18156 1761 1 4 . 1 1 49 49 THR HA H 49 4.330 4.330 4.448 -0.118 18156 1762 1 4 . 1 1 49 49 THR CA C 49 61.200 61.200 62.159 -0.959 18156 1763 1 4 . 1 1 49 49 THR CB C 49 69.400 69.400 68.303 1.097 18156 1764 1 4 . 1 1 49 49 THR H H 49 8.620 8.620 8.393 0.227 18156 1765 1 4 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.258 0.102 18156 1766 1 4 . 1 1 50 50 PRO C C 50 177.700 177.700 177.760 -0.060 18156 1767 1 4 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.497 0.003 18156 1768 1 4 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.531 0.269 18156 1769 1 4 . 1 1 51 51 GLY N N 51 111.300 111.300 110.837 0.463 18156 1770 1 4 . 1 1 51 51 GLY C C 51 175.200 175.200 174.910 0.290 18156 1771 1 4 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.269 0.131 18156 1772 1 4 . 1 1 51 51 GLY H H 51 8.880 8.880 8.663 0.217 18156 1773 1 4 . 1 1 52 52 LYS N N 52 118.900 118.900 119.853 -0.953 18156 1774 1 4 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.502 0.068 18156 1775 1 4 . 1 1 52 52 LYS C C 52 175.800 175.800 176.737 -0.937 18156 1776 1 4 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.708 -0.908 18156 1777 1 4 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.483 -0.883 18156 1778 1 4 . 1 1 52 52 LYS H H 52 8.110 8.110 8.150 -0.040 18156 1779 1 4 . 1 1 53 53 THR N N 53 114.700 114.700 118.270 -3.570 18156 1780 1 4 . 1 1 53 53 THR HA H 53 4.180 4.180 4.436 -0.256 18156 1781 1 4 . 1 1 53 53 THR CA C 53 60.400 60.400 60.947 -0.547 18156 1782 1 4 . 1 1 53 53 THR CB C 53 69.100 69.100 68.586 0.514 18156 1783 1 4 . 1 1 53 53 THR H H 53 7.700 7.700 7.746 -0.046 18156 1784 1 4 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.408 0.002 18156 1785 1 4 . 1 1 54 54 PRO C C 54 177.500 177.500 177.142 0.358 18156 1786 1 4 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.583 0.617 18156 1787 1 4 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.494 -0.194 18156 1788 1 4 . 1 1 55 55 VAL N N 55 119.300 119.300 122.062 -2.762 18156 1789 1 4 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.798 0.202 18156 1790 1 4 . 1 1 55 55 VAL C C 55 176.000 176.000 176.491 -0.491 18156 1791 1 4 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.223 -0.923 18156 1792 1 4 . 1 1 55 55 VAL CB C 55 32.400 32.400 32.004 0.396 18156 1793 1 4 . 1 1 55 55 VAL H H 55 8.190 8.190 8.301 -0.111 18156 1794 1 4 . 1 1 56 56 ASP N N 56 120.300 120.300 118.384 1.916 18156 1795 1 4 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.618 -0.048 18156 1796 1 4 . 1 1 56 56 ASP C C 56 177.000 177.000 177.152 -0.152 18156 1797 1 4 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.456 -0.156 18156 1798 1 4 . 1 1 56 56 ASP CB C 56 40.700 40.700 41.524 -0.824 18156 1799 1 4 . 1 1 56 56 ASP H H 56 8.170 8.170 8.614 -0.444 18156 1800 1 4 . 1 1 57 57 GLY N N 57 108.300 108.300 108.715 -0.415 18156 1801 1 4 . 1 1 57 57 GLY C C 57 173.700 173.700 173.402 0.298 18156 1802 1 4 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.567 1.233 18156 1803 1 4 . 1 1 57 57 GLY H H 57 8.110 8.110 7.794 0.316 18156 1804 1 4 . 1 1 58 58 GLN N N 58 118.900 118.900 118.776 0.124 18156 1805 1 4 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.885 0.615 18156 1806 1 4 . 1 1 58 58 GLN C C 58 175.700 175.700 175.222 0.478 18156 1807 1 4 . 1 1 58 58 GLN CA C 58 56.200 56.200 56.190 0.010 18156 1808 1 4 . 1 1 58 58 GLN CB C 58 30.200 30.200 27.959 2.241 18156 1809 1 4 . 1 1 58 58 GLN H H 58 8.070 8.070 8.476 -0.406 18156 1810 1 4 . 1 1 59 59 TYR N N 59 118.800 118.800 118.273 0.527 18156 1811 1 4 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.916 0.214 18156 1812 1 4 . 1 1 59 59 TYR C C 59 177.500 177.500 174.596 2.904 18156 1813 1 4 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.272 -0.572 18156 1814 1 4 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.127 0.173 18156 1815 1 4 . 1 1 59 59 TYR H H 59 8.110 8.110 7.690 0.420 18156 1816 1 4 . 1 1 60 60 VAL N N 60 115.600 115.600 113.772 1.828 18156 1817 1 4 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.366 0.134 18156 1818 1 4 . 1 1 60 60 VAL C C 60 174.700 174.700 175.615 -0.915 18156 1819 1 4 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.913 0.087 18156 1820 1 4 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.467 0.533 18156 1821 1 4 . 1 1 60 60 VAL H H 60 8.250 8.250 8.404 -0.154 18156 1822 1 4 . 1 1 61 61 TRP N N 61 120.800 120.800 119.811 0.989 18156 1823 1 4 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.281 0.639 18156 1824 1 4 . 1 1 61 61 TRP C C 61 172.700 172.700 173.324 -0.624 18156 1825 1 4 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.868 -0.868 18156 1826 1 4 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.706 0.194 18156 1827 1 4 . 1 1 61 61 TRP H H 61 8.500 8.500 8.647 -0.147 18156 1828 1 4 . 1 1 62 62 PHE N N 62 112.100 112.100 115.072 -2.972 18156 1829 1 4 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.789 0.251 18156 1830 1 4 . 1 1 62 62 PHE C C 62 174.800 174.800 173.611 1.189 18156 1831 1 4 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.658 -1.258 18156 1832 1 4 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.516 0.384 18156 1833 1 4 . 1 1 62 62 PHE H H 62 8.700 8.700 8.513 0.187 18156 1834 1 4 . 1 1 63 63 ASN N N 63 120.800 120.800 120.466 0.334 18156 1835 1 4 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.957 0.203 18156 1836 1 4 . 1 1 63 63 ASN C C 63 175.800 175.800 175.430 0.370 18156 1837 1 4 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.972 1.128 18156 1838 1 4 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.080 1.520 18156 1839 1 4 . 1 1 63 63 ASN H H 63 9.340 9.340 8.625 0.715 18156 1840 1 4 . 1 1 64 64 ILE N N 64 113.400 113.400 118.269 -4.869 18156 1841 1 4 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.454 0.196 18156 1842 1 4 . 1 1 64 64 ILE C C 64 175.300 175.300 177.186 -1.886 18156 1843 1 4 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.478 -1.378 18156 1844 1 4 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.144 2.957 18156 1845 1 4 . 1 1 64 64 ILE H H 64 7.820 7.820 8.026 -0.206 18156 1846 1 4 . 1 1 65 65 GLY N N 65 110.700 110.700 109.840 0.860 18156 1847 1 4 . 1 1 65 65 GLY C C 65 174.300 174.300 175.408 -1.108 18156 1848 1 4 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.600 -0.800 18156 1849 1 4 . 1 1 65 65 GLY H H 65 8.570 8.570 8.315 0.255 18156 1850 1 4 . 1 1 66 66 SER N N 66 113.800 113.800 121.029 -7.229 18156 1851 1 4 . 1 1 66 66 SER HA H 66 4.730 4.730 4.490 0.240 18156 1852 1 4 . 1 1 66 66 SER C C 66 175.500 175.500 175.341 0.159 18156 1853 1 4 . 1 1 66 66 SER CA C 66 56.800 56.800 58.012 -1.212 18156 1854 1 4 . 1 1 66 66 SER CB C 66 64.500 64.500 62.141 2.360 18156 1855 1 4 . 1 1 66 66 SER H H 66 7.680 7.680 8.029 -0.349 18156 1856 1 4 . 1 1 67 67 VAL N N 67 127.000 127.000 125.634 1.366 18156 1857 1 4 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.812 0.008 18156 1858 1 4 . 1 1 67 67 VAL C C 67 176.700 176.700 177.258 -0.558 18156 1859 1 4 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.319 0.281 18156 1860 1 4 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.740 -0.040 18156 1861 1 4 . 1 1 67 67 VAL H H 67 9.150 9.150 7.836 1.314 18156 1862 1 4 . 1 1 68 68 ASP N N 68 118.800 118.800 118.741 0.059 18156 1863 1 4 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.727 -0.277 18156 1864 1 4 . 1 1 68 68 ASP C C 68 178.700 178.700 178.564 0.136 18156 1865 1 4 . 1 1 68 68 ASP CA C 68 57.300 57.300 58.438 -1.138 18156 1866 1 4 . 1 1 68 68 ASP CB C 68 40.700 40.700 39.911 0.789 18156 1867 1 4 . 1 1 68 68 ASP H H 68 8.320 8.320 8.677 -0.357 18156 1868 1 4 . 1 1 69 69 THR N N 69 114.500 114.500 115.755 -1.255 18156 1869 1 4 . 1 1 69 69 THR HA H 69 3.910 3.910 4.070 -0.160 18156 1870 1 4 . 1 1 69 69 THR C C 69 175.500 175.500 176.021 -0.521 18156 1871 1 4 . 1 1 69 69 THR CA C 69 65.600 65.600 65.999 -0.398 18156 1872 1 4 . 1 1 69 69 THR CB C 69 68.900 68.900 68.337 0.563 18156 1873 1 4 . 1 1 69 69 THR H H 69 7.710 7.710 8.043 -0.333 18156 1874 1 4 . 1 1 70 70 PHE N N 70 122.800 122.800 122.773 0.027 18156 1875 1 4 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.928 0.392 18156 1876 1 4 . 1 1 70 70 PHE C C 70 176.000 176.000 176.821 -0.821 18156 1877 1 4 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.319 -0.820 18156 1878 1 4 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.932 0.168 18156 1879 1 4 . 1 1 70 70 PHE H H 70 7.680 7.680 8.055 -0.375 18156 1880 1 4 . 1 1 71 71 GLU N N 71 118.400 118.400 119.129 -0.729 18156 1881 1 4 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.613 -0.243 18156 1882 1 4 . 1 1 71 71 GLU C C 71 179.900 179.900 179.020 0.880 18156 1883 1 4 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.693 0.507 18156 1884 1 4 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.396 -0.196 18156 1885 1 4 . 1 1 71 71 GLU H H 71 8.660 8.660 8.261 0.399 18156 1886 1 4 . 1 1 72 72 ARG N N 72 119.500 119.500 118.353 1.147 18156 1887 1 4 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.970 0.190 18156 1888 1 4 . 1 1 72 72 ARG C C 72 179.200 179.200 178.646 0.554 18156 1889 1 4 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.364 0.736 18156 1890 1 4 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.526 0.574 18156 1891 1 4 . 1 1 72 72 ARG H H 72 7.960 7.960 8.043 -0.083 18156 1892 1 4 . 1 1 73 73 ASN N N 73 119.900 119.900 118.015 1.885 18156 1893 1 4 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.475 0.035 18156 1894 1 4 . 1 1 73 73 ASN C C 73 178.100 178.100 177.812 0.288 18156 1895 1 4 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.529 -0.029 18156 1896 1 4 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.851 -0.451 18156 1897 1 4 . 1 1 73 73 ASN H H 73 8.610 8.610 8.028 0.582 18156 1898 1 4 . 1 1 74 74 LEU N N 74 121.900 121.900 121.979 -0.079 18156 1899 1 4 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.273 -0.023 18156 1900 1 4 . 1 1 74 74 LEU C C 74 179.100 179.100 178.051 1.049 18156 1901 1 4 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.501 -0.201 18156 1902 1 4 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.701 0.099 18156 1903 1 4 . 1 1 74 74 LEU H H 74 8.720 8.720 8.198 0.522 18156 1904 1 4 . 1 1 75 75 GLU N N 75 120.700 120.700 117.668 3.032 18156 1905 1 4 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.046 0.064 18156 1906 1 4 . 1 1 75 75 GLU C C 75 178.900 178.900 179.239 -0.339 18156 1907 1 4 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.129 0.771 18156 1908 1 4 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.634 0.666 18156 1909 1 4 . 1 1 75 75 GLU H H 75 8.070 8.070 8.256 -0.186 18156 1910 1 4 . 1 1 76 76 THR N N 76 115.700 115.700 117.381 -1.681 18156 1911 1 4 . 1 1 76 76 THR HA H 76 4.000 4.000 4.043 -0.043 18156 1912 1 4 . 1 1 76 76 THR C C 76 176.600 176.600 176.659 -0.059 18156 1913 1 4 . 1 1 76 76 THR CA C 76 66.500 66.500 66.314 0.186 18156 1914 1 4 . 1 1 76 76 THR CB C 76 69.000 69.000 68.775 0.225 18156 1915 1 4 . 1 1 76 76 THR H H 76 8.400 8.400 7.875 0.525 18156 1916 1 4 . 1 1 77 77 LEU N N 77 122.200 122.200 123.011 -0.811 18156 1917 1 4 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.384 -0.124 18156 1918 1 4 . 1 1 77 77 LEU C C 77 179.200 179.200 178.732 0.468 18156 1919 1 4 . 1 1 77 77 LEU CA C 77 57.300 57.300 57.669 -0.369 18156 1920 1 4 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.704 0.196 18156 1921 1 4 . 1 1 77 77 LEU H H 77 8.330 8.330 8.145 0.185 18156 1922 1 4 . 1 1 78 78 GLN N N 78 115.700 115.700 117.938 -2.238 18156 1923 1 4 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.903 -0.023 18156 1924 1 4 . 1 1 78 78 GLN C C 78 177.600 177.600 178.554 -0.954 18156 1925 1 4 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.345 1.955 18156 1926 1 4 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.456 0.944 18156 1927 1 4 . 1 1 78 78 GLN H H 78 8.200 8.200 8.452 -0.252 18156 1928 1 4 . 1 1 79 79 GLN N N 79 118.400 118.400 118.158 0.242 18156 1929 1 4 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.018 0.122 18156 1930 1 4 . 1 1 79 79 GLN C C 79 180.000 180.000 178.698 1.302 18156 1931 1 4 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.800 0.400 18156 1932 1 4 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.684 -0.484 18156 1933 1 4 . 1 1 79 79 GLN H H 79 7.980 7.980 7.678 0.302 18156 1934 1 4 . 1 1 80 80 GLU N N 80 121.700 121.700 120.131 1.569 18156 1935 1 4 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.102 -0.052 18156 1936 1 4 . 1 1 80 80 GLU C C 80 178.800 178.800 178.570 0.230 18156 1937 1 4 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.680 0.620 18156 1938 1 4 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.745 -0.145 18156 1939 1 4 . 1 1 80 80 GLU H H 80 8.400 8.400 7.845 0.555 18156 1940 1 4 . 1 1 81 81 LEU N N 81 117.200 117.200 116.298 0.902 18156 1941 1 4 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.325 -0.025 18156 1942 1 4 . 1 1 81 81 LEU C C 81 177.400 177.400 177.355 0.045 18156 1943 1 4 . 1 1 81 81 LEU CA C 81 55.100 55.100 54.716 0.384 18156 1944 1 4 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.094 0.705 18156 1945 1 4 . 1 1 81 81 LEU H H 81 8.120 8.120 7.946 0.174 18156 1946 1 4 . 1 1 82 82 GLY N N 82 108.900 108.900 107.326 1.574 18156 1947 1 4 . 1 1 82 82 GLY C C 82 174.600 174.600 174.734 -0.134 18156 1948 1 4 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.408 0.892 18156 1949 1 4 . 1 1 82 82 GLY H H 82 7.840 7.840 7.354 0.486 18156 1950 1 4 . 1 1 83 83 ILE N N 83 121.900 121.900 122.423 -0.523 18156 1951 1 4 . 1 1 83 83 ILE HA H 83 4.000 4.000 4.300 -0.300 18156 1952 1 4 . 1 1 83 83 ILE C C 83 175.300 175.300 174.506 0.794 18156 1953 1 4 . 1 1 83 83 ILE CA C 83 61.500 61.500 61.425 0.075 18156 1954 1 4 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.744 0.056 18156 1955 1 4 . 1 1 83 83 ILE H H 83 8.250 8.250 7.885 0.365 18156 1956 1 4 . 1 1 84 84 GLU N N 84 126.600 126.600 126.077 0.523 18156 1957 1 4 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.467 0.033 18156 1958 1 4 . 1 1 84 84 GLU C C 84 177.400 177.400 176.314 1.086 18156 1959 1 4 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.074 0.226 18156 1960 1 4 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.083 0.517 18156 1961 1 4 . 1 1 84 84 GLU H H 84 8.760 8.760 7.899 0.861 18156 1962 1 4 . 1 1 85 85 GLY N N 85 109.400 109.400 110.340 -0.940 18156 1963 1 4 . 1 1 85 85 GLY C C 85 176.600 176.600 175.683 0.917 18156 1964 1 4 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.364 1.036 18156 1965 1 4 . 1 1 85 85 GLY H H 85 8.870 8.870 8.679 0.191 18156 1966 1 4 . 1 1 86 86 GLU N N 86 123.900 123.900 124.249 -0.349 18156 1967 1 4 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.174 0.076 18156 1968 1 4 . 1 1 86 86 GLU C C 86 176.200 176.200 176.040 0.160 18156 1969 1 4 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.718 0.082 18156 1970 1 4 . 1 1 86 86 GLU CB C 86 29.100 29.100 28.429 0.671 18156 1971 1 4 . 1 1 86 86 GLU H H 86 9.240 9.240 8.805 0.435 18156 1972 1 4 . 1 1 87 87 ASN N N 87 115.900 115.900 117.920 -2.020 18156 1973 1 4 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.630 0.200 18156 1974 1 4 . 1 1 87 87 ASN C C 87 174.600 174.600 175.397 -0.797 18156 1975 1 4 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.368 -0.168 18156 1976 1 4 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.228 0.172 18156 1977 1 4 . 1 1 87 87 ASN H H 87 8.050 8.050 7.663 0.387 18156 1978 1 4 . 1 1 88 88 ARG N N 88 119.300 119.300 120.458 -1.158 18156 1979 1 4 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.118 -0.068 18156 1980 1 4 . 1 1 88 88 ARG C C 88 176.600 176.600 176.712 -0.112 18156 1981 1 4 . 1 1 88 88 ARG CA C 88 56.600 56.600 55.985 0.615 18156 1982 1 4 . 1 1 88 88 ARG CB C 88 30.600 30.600 29.899 0.701 18156 1983 1 4 . 1 1 88 88 ARG H H 88 7.230 7.230 7.488 -0.258 18156 1984 1 4 . 1 1 89 89 VAL N N 89 124.700 124.700 126.088 -1.388 18156 1985 1 4 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.052 0.238 18156 1986 1 4 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.706 -0.706 18156 1987 1 4 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.125 1.975 18156 1988 1 4 . 1 1 89 89 VAL H H 89 8.780 8.780 8.187 0.593 18156 1989 1 4 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.533 -0.023 18156 1990 1 4 . 1 1 90 90 PRO C C 90 175.100 175.100 175.532 -0.432 18156 1991 1 4 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.804 0.295 18156 1992 1 4 . 1 1 90 90 PRO CB C 90 32.600 32.600 31.799 0.801 18156 1993 1 4 . 1 1 91 91 VAL N N 91 121.600 121.600 125.188 -3.588 18156 1994 1 4 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.835 -0.025 18156 1995 1 4 . 1 1 91 91 VAL C C 91 176.100 176.100 176.047 0.053 18156 1996 1 4 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.219 0.081 18156 1997 1 4 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.915 1.285 18156 1998 1 4 . 1 1 91 91 VAL H H 91 8.030 8.030 8.296 -0.266 18156 1999 1 4 . 1 1 92 92 VAL N N 92 124.800 124.800 128.344 -3.544 18156 2000 1 4 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.399 0.141 18156 2001 1 4 . 1 1 92 92 VAL C C 92 173.600 173.600 174.570 -0.970 18156 2002 1 4 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.042 -1.342 18156 2003 1 4 . 1 1 92 92 VAL CB C 92 34.900 34.900 33.495 1.405 18156 2004 1 4 . 1 1 92 92 VAL H H 92 8.640 8.640 8.688 -0.048 18156 2005 1 4 . 1 1 93 93 TYR N N 93 124.700 124.700 127.654 -2.954 18156 2006 1 4 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.698 0.232 18156 2007 1 4 . 1 1 93 93 TYR C C 93 175.700 175.700 175.968 -0.268 18156 2008 1 4 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.312 -0.912 18156 2009 1 4 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.535 -0.035 18156 2010 1 4 . 1 1 93 93 TYR H H 93 8.800 8.800 8.808 -0.008 18156 2011 1 4 . 1 1 94 94 ILE N N 94 123.100 123.100 126.771 -3.671 18156 2012 1 4 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.337 0.173 18156 2013 1 4 . 1 1 94 94 ILE C C 94 173.700 173.700 174.329 -0.629 18156 2014 1 4 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.228 -1.028 18156 2015 1 4 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.467 1.033 18156 2016 1 4 . 1 1 94 94 ILE H H 94 9.000 9.000 7.979 1.021 18156 2017 1 4 . 1 1 95 95 ALA N N 95 128.000 128.000 129.765 -1.765 18156 2018 1 4 . 1 1 95 95 ALA HA H 95 4.990 4.990 5.009 -0.019 18156 2019 1 4 . 1 1 95 95 ALA C C 95 177.000 177.000 177.332 -0.332 18156 2020 1 4 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.059 -0.559 18156 2021 1 4 . 1 1 95 95 ALA CB C 95 20.400 20.400 20.496 -0.096 18156 2022 1 4 . 1 1 95 95 ALA H H 95 8.450 8.450 8.348 0.102 18156 2023 1 4 . 1 1 96 96 GLU N N 96 122.200 122.200 123.650 -1.450 18156 2024 1 4 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.144 0.376 18156 2025 1 4 . 1 1 96 96 GLU C C 96 176.000 176.000 176.857 -0.857 18156 2026 1 4 . 1 1 96 96 GLU CA C 96 55.500 55.500 58.440 -2.940 18156 2027 1 4 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.377 2.423 18156 2028 1 4 . 1 1 96 96 GLU H H 96 8.850 8.850 8.815 0.035 18156 2029 1 4 . 1 1 97 97 SER N N 97 118.600 118.600 110.101 8.499 18156 2030 1 4 . 1 1 97 97 SER HA H 97 4.430 4.430 4.554 -0.124 18156 2031 1 4 . 1 1 97 97 SER C C 97 174.200 174.200 172.944 1.256 18156 2032 1 4 . 1 1 97 97 SER CA C 97 58.500 58.500 56.747 1.753 18156 2033 1 4 . 1 1 97 97 SER CB C 97 63.800 63.800 63.744 0.056 18156 2034 1 4 . 1 1 97 97 SER H H 97 8.650 8.650 7.829 0.821 18156 2035 1 4 . 1 1 98 98 ASP N N 98 123.200 123.200 118.716 4.484 18156 2036 1 4 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.651 0.019 18156 2037 1 4 . 1 1 98 98 ASP C C 98 175.500 175.500 176.266 -0.766 18156 2038 1 4 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.375 0.025 18156 2039 1 4 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.538 -0.138 18156 2040 1 4 . 1 1 98 98 ASP H H 98 8.500 8.500 8.407 0.093 18156 2041 1 5 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.586 -1.086 18156 2042 1 5 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.530 0.060 18156 2043 1 5 . 1 1 10 10 HIS C C 10 175.500 175.500 174.754 0.746 18156 2044 1 5 . 1 1 10 10 HIS CA C 10 56.500 56.500 54.821 1.679 18156 2045 1 5 . 1 1 10 10 HIS CB C 10 30.200 30.200 28.984 1.216 18156 2046 1 5 . 1 1 11 11 MET N N 11 120.900 120.900 120.673 0.227 18156 2047 1 5 . 1 1 11 11 MET HA H 11 4.290 4.290 4.379 -0.089 18156 2048 1 5 . 1 1 11 11 MET C C 11 176.300 176.300 177.029 -0.729 18156 2049 1 5 . 1 1 11 11 MET CA C 11 55.900 55.900 55.427 0.473 18156 2050 1 5 . 1 1 11 11 MET CB C 11 32.700 32.700 33.275 -0.575 18156 2051 1 5 . 1 1 11 11 MET H H 11 8.210 8.210 7.509 0.701 18156 2052 1 5 . 1 1 12 12 LYS N N 12 122.100 122.100 121.412 0.688 18156 2053 1 5 . 1 1 12 12 LYS HA H 12 4.130 4.130 3.812 0.318 18156 2054 1 5 . 1 1 12 12 LYS C C 12 176.700 176.700 177.377 -0.677 18156 2055 1 5 . 1 1 12 12 LYS CA C 12 56.800 56.800 58.225 -1.425 18156 2056 1 5 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.193 0.607 18156 2057 1 5 . 1 1 12 12 LYS H H 12 8.300 8.300 8.612 -0.312 18156 2058 1 5 . 1 1 13 13 ARG N N 13 121.500 121.500 119.695 1.805 18156 2059 1 5 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.261 0.009 18156 2060 1 5 . 1 1 13 13 ARG C C 13 176.200 176.200 177.370 -1.170 18156 2061 1 5 . 1 1 13 13 ARG CA C 13 56.200 56.200 58.053 -1.853 18156 2062 1 5 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.735 0.065 18156 2063 1 5 . 1 1 13 13 ARG H H 13 8.160 8.160 7.996 0.164 18156 2064 1 5 . 1 1 14 14 SER N N 14 116.700 116.700 114.992 1.708 18156 2065 1 5 . 1 1 14 14 SER HA H 14 4.530 4.530 4.286 0.244 18156 2066 1 5 . 1 1 14 14 SER C C 14 173.600 173.600 174.538 -0.938 18156 2067 1 5 . 1 1 14 14 SER CA C 14 58.300 58.300 59.826 -1.526 18156 2068 1 5 . 1 1 14 14 SER CB C 14 64.100 64.100 62.171 1.929 18156 2069 1 5 . 1 1 14 14 SER H H 14 8.160 8.160 8.827 -0.667 18156 2070 1 5 . 1 1 15 15 GLY N N 15 109.300 109.300 109.203 0.097 18156 2071 1 5 . 1 1 15 15 GLY C C 15 173.000 173.000 172.695 0.305 18156 2072 1 5 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.490 0.210 18156 2073 1 5 . 1 1 15 15 GLY H H 15 8.100 8.100 7.502 0.599 18156 2074 1 5 . 1 1 16 16 ARG N N 16 122.300 122.300 120.011 2.289 18156 2075 1 5 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.360 0.170 18156 2076 1 5 . 1 1 16 16 ARG C C 16 173.200 173.200 175.123 -1.923 18156 2077 1 5 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.357 0.943 18156 2078 1 5 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.209 1.691 18156 2079 1 5 . 1 1 16 16 ARG H H 16 8.460 8.460 8.448 0.012 18156 2080 1 5 . 1 1 17 17 GLU N N 17 126.800 126.800 128.665 -1.865 18156 2081 1 5 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.966 -0.746 18156 2082 1 5 . 1 1 17 17 GLU C C 17 177.000 177.000 176.200 0.800 18156 2083 1 5 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.465 -0.465 18156 2084 1 5 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.393 0.707 18156 2085 1 5 . 1 1 17 17 GLU H H 17 8.190 8.190 8.489 -0.299 18156 2086 1 5 . 1 1 18 18 ILE N N 18 122.600 122.600 122.957 -0.357 18156 2087 1 5 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.642 0.318 18156 2088 1 5 . 1 1 18 18 ILE C C 18 174.600 174.600 175.294 -0.694 18156 2089 1 5 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.007 0.193 18156 2090 1 5 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.975 0.925 18156 2091 1 5 . 1 1 18 18 ILE H H 18 8.870 8.870 8.534 0.336 18156 2092 1 5 . 1 1 19 19 THR N N 19 108.700 108.700 110.691 -1.991 18156 2093 1 5 . 1 1 19 19 THR HA H 19 4.760 4.760 4.678 0.082 18156 2094 1 5 . 1 1 19 19 THR C C 19 175.400 175.400 175.580 -0.180 18156 2095 1 5 . 1 1 19 19 THR CA C 19 59.800 59.800 59.943 -0.143 18156 2096 1 5 . 1 1 19 19 THR CB C 19 72.100 72.100 71.704 0.396 18156 2097 1 5 . 1 1 19 19 THR H H 19 8.140 8.140 8.237 -0.097 18156 2098 1 5 . 1 1 20 20 TRP N N 20 121.900 121.900 123.540 -1.640 18156 2099 1 5 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.884 0.016 18156 2100 1 5 . 1 1 20 20 TRP C C 20 176.600 176.600 177.234 -0.634 18156 2101 1 5 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.704 -0.704 18156 2102 1 5 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.661 -0.361 18156 2103 1 5 . 1 1 20 20 TRP H H 20 9.060 9.060 8.803 0.257 18156 2104 1 5 . 1 1 21 21 LYS N N 21 116.900 116.900 119.067 -2.167 18156 2105 1 5 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.824 -0.164 18156 2106 1 5 . 1 1 21 21 LYS C C 21 178.200 178.200 178.241 -0.041 18156 2107 1 5 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.834 -0.134 18156 2108 1 5 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.973 0.227 18156 2109 1 5 . 1 1 21 21 LYS H H 21 8.320 8.320 8.241 0.079 18156 2110 1 5 . 1 1 22 22 ASP N N 22 119.000 119.000 119.679 -0.679 18156 2111 1 5 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.520 -0.250 18156 2112 1 5 . 1 1 22 22 ASP C C 22 178.500 178.500 178.778 -0.278 18156 2113 1 5 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.413 -0.413 18156 2114 1 5 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.585 0.715 18156 2115 1 5 . 1 1 22 22 ASP H H 22 7.670 7.670 8.064 -0.394 18156 2116 1 5 . 1 1 23 23 PHE N N 23 120.000 120.000 121.714 -1.714 18156 2117 1 5 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.294 -0.044 18156 2118 1 5 . 1 1 23 23 PHE C C 23 177.500 177.500 176.954 0.546 18156 2119 1 5 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.923 -0.123 18156 2120 1 5 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.698 -1.098 18156 2121 1 5 . 1 1 23 23 PHE H H 23 8.430 8.430 8.002 0.428 18156 2122 1 5 . 1 1 24 24 VAL N N 24 120.700 120.700 118.544 2.156 18156 2123 1 5 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.907 -0.177 18156 2124 1 5 . 1 1 24 24 VAL C C 24 178.200 178.200 178.029 0.171 18156 2125 1 5 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.304 0.596 18156 2126 1 5 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.491 1.609 18156 2127 1 5 . 1 1 24 24 VAL H H 24 8.250 8.250 7.801 0.449 18156 2128 1 5 . 1 1 25 25 ASN N N 25 116.700 116.700 118.856 -2.156 18156 2129 1 5 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.337 -0.137 18156 2130 1 5 . 1 1 25 25 ASN C C 25 176.200 176.200 177.374 -1.174 18156 2131 1 5 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.064 -0.064 18156 2132 1 5 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.352 0.348 18156 2133 1 5 . 1 1 25 25 ASN H H 25 8.260 8.260 7.783 0.477 18156 2134 1 5 . 1 1 26 26 ASN N N 26 112.300 112.300 115.307 -3.007 18156 2135 1 5 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.481 0.119 18156 2136 1 5 . 1 1 26 26 ASN C C 26 174.500 174.500 175.212 -0.712 18156 2137 1 5 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.454 -1.854 18156 2138 1 5 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.653 0.147 18156 2139 1 5 . 1 1 26 26 ASN H H 26 8.490 8.490 7.912 0.578 18156 2140 1 5 . 1 1 27 27 TYR N N 27 113.700 113.700 116.667 -2.967 18156 2141 1 5 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.615 0.215 18156 2142 1 5 . 1 1 27 27 TYR C C 27 176.500 176.500 176.465 0.035 18156 2143 1 5 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.672 -1.472 18156 2144 1 5 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.910 0.390 18156 2145 1 5 . 1 1 27 27 TYR H H 27 7.000 7.000 7.437 -0.437 18156 2146 1 5 . 1 1 28 28 LEU N N 28 122.700 122.700 121.152 1.548 18156 2147 1 5 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.769 0.061 18156 2148 1 5 . 1 1 28 28 LEU C C 28 179.700 179.700 178.730 0.970 18156 2149 1 5 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.756 0.544 18156 2150 1 5 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.222 0.178 18156 2151 1 5 . 1 1 28 28 LEU H H 28 8.180 8.180 7.997 0.183 18156 2152 1 5 . 1 1 29 29 SER N N 29 109.300 109.300 115.453 -6.153 18156 2153 1 5 . 1 1 29 29 SER HA H 29 4.120 4.120 4.112 0.008 18156 2154 1 5 . 1 1 29 29 SER C C 29 174.000 174.000 175.388 -1.388 18156 2155 1 5 . 1 1 29 29 SER CA C 29 60.300 60.300 61.009 -0.709 18156 2156 1 5 . 1 1 29 29 SER CB C 29 63.100 63.100 62.937 0.163 18156 2157 1 5 . 1 1 29 29 SER H H 29 7.940 7.940 8.105 -0.165 18156 2158 1 5 . 1 1 30 30 LYS N N 30 117.200 117.200 118.439 -1.239 18156 2159 1 5 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.378 0.082 18156 2160 1 5 . 1 1 30 30 LYS C C 30 177.200 177.200 177.135 0.065 18156 2161 1 5 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.003 -0.203 18156 2162 1 5 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.484 0.515 18156 2163 1 5 . 1 1 30 30 LYS H H 30 6.680 6.680 7.173 -0.493 18156 2164 1 5 . 1 1 31 31 GLY N N 31 107.100 107.100 108.515 -1.415 18156 2165 1 5 . 1 1 31 31 GLY C C 31 175.700 175.700 175.501 0.199 18156 2166 1 5 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.355 1.045 18156 2167 1 5 . 1 1 31 31 GLY H H 31 7.660 7.660 7.873 -0.213 18156 2168 1 5 . 1 1 32 32 VAL N N 32 107.300 107.300 112.986 -5.686 18156 2169 1 5 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.230 0.400 18156 2170 1 5 . 1 1 32 32 VAL C C 32 174.800 174.800 175.509 -0.709 18156 2171 1 5 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.667 -1.867 18156 2172 1 5 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.332 -0.232 18156 2173 1 5 . 1 1 32 32 VAL H H 32 6.910 6.910 7.432 -0.522 18156 2174 1 5 . 1 1 33 33 VAL N N 33 122.000 122.000 119.660 2.340 18156 2175 1 5 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.400 -0.400 18156 2176 1 5 . 1 1 33 33 VAL C C 33 174.500 174.500 175.360 -0.860 18156 2177 1 5 . 1 1 33 33 VAL CA C 33 63.300 63.300 62.082 1.218 18156 2178 1 5 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.619 -0.519 18156 2179 1 5 . 1 1 33 33 VAL H H 33 8.180 8.180 7.443 0.737 18156 2180 1 5 . 1 1 34 34 ASP N N 34 128.200 128.200 126.392 1.808 18156 2181 1 5 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.622 0.138 18156 2182 1 5 . 1 1 34 34 ASP C C 34 175.400 175.400 175.520 -0.120 18156 2183 1 5 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.405 -1.105 18156 2184 1 5 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.884 0.716 18156 2185 1 5 . 1 1 34 34 ASP H H 34 9.150 9.150 8.843 0.307 18156 2186 1 5 . 1 1 35 35 ARG N N 35 112.200 112.200 113.397 -1.197 18156 2187 1 5 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.808 -0.188 18156 2188 1 5 . 1 1 35 35 ARG C C 35 172.900 172.900 173.864 -0.964 18156 2189 1 5 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.797 0.503 18156 2190 1 5 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.241 -0.141 18156 2191 1 5 . 1 1 35 35 ARG H H 35 7.440 7.440 7.354 0.086 18156 2192 1 5 . 1 1 36 36 LEU N N 36 120.400 120.400 122.670 -2.270 18156 2193 1 5 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.000 0.020 18156 2194 1 5 . 1 1 36 36 LEU C C 36 174.800 174.800 175.671 -0.871 18156 2195 1 5 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.697 -0.696 18156 2196 1 5 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.750 0.150 18156 2197 1 5 . 1 1 36 36 LEU H H 36 8.410 8.410 8.933 -0.523 18156 2198 1 5 . 1 1 37 37 GLU N N 37 120.800 120.800 124.879 -4.079 18156 2199 1 5 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.696 0.234 18156 2200 1 5 . 1 1 37 37 GLU C C 37 174.400 174.400 175.967 -1.567 18156 2201 1 5 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.970 -1.670 18156 2202 1 5 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.134 1.565 18156 2203 1 5 . 1 1 37 37 GLU H H 37 8.470 8.470 8.525 -0.055 18156 2204 1 5 . 1 1 38 38 VAL N N 38 125.600 125.600 127.677 -2.077 18156 2205 1 5 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.768 0.242 18156 2206 1 5 . 1 1 38 38 VAL C C 38 175.500 175.500 175.147 0.353 18156 2207 1 5 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.820 -0.420 18156 2208 1 5 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.994 -0.194 18156 2209 1 5 . 1 1 38 38 VAL H H 38 9.130 9.130 8.127 1.003 18156 2210 1 5 . 1 1 39 39 VAL N N 39 131.700 131.700 128.994 2.706 18156 2211 1 5 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.138 0.042 18156 2212 1 5 . 1 1 39 39 VAL C C 39 175.600 175.600 176.341 -0.741 18156 2213 1 5 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.089 0.611 18156 2214 1 5 . 1 1 39 39 VAL CB C 39 30.800 30.800 29.484 1.316 18156 2215 1 5 . 1 1 39 39 VAL H H 39 9.040 9.040 7.737 1.303 18156 2216 1 5 . 1 1 40 40 ASN N N 40 125.000 125.000 125.657 -0.657 18156 2217 1 5 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.242 0.218 18156 2218 1 5 . 1 1 40 40 ASN C C 40 173.300 173.300 174.494 -1.194 18156 2219 1 5 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.766 -0.666 18156 2220 1 5 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.271 -0.271 18156 2221 1 5 . 1 1 40 40 ASN H H 40 9.060 9.060 8.929 0.131 18156 2222 1 5 . 1 1 41 41 LYS N N 41 109.900 109.900 111.615 -1.715 18156 2223 1 5 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.759 -0.519 18156 2224 1 5 . 1 1 41 41 LYS C C 41 175.000 175.000 175.868 -0.868 18156 2225 1 5 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.449 -0.149 18156 2226 1 5 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.070 -0.470 18156 2227 1 5 . 1 1 41 41 LYS H H 41 9.250 9.250 7.670 1.580 18156 2228 1 5 . 1 1 42 42 ARG N N 42 115.800 115.800 118.461 -2.661 18156 2229 1 5 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.180 0.530 18156 2230 1 5 . 1 1 42 42 ARG C C 42 174.900 174.900 176.160 -1.260 18156 2231 1 5 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.737 -1.537 18156 2232 1 5 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.794 2.406 18156 2233 1 5 . 1 1 42 42 ARG H H 42 8.110 8.110 7.541 0.569 18156 2234 1 5 . 1 1 43 43 PHE N N 43 115.100 115.100 111.211 3.889 18156 2235 1 5 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.817 0.343 18156 2236 1 5 . 1 1 43 43 PHE C C 43 171.200 171.200 172.692 -1.492 18156 2237 1 5 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.036 -0.336 18156 2238 1 5 . 1 1 43 43 PHE CB C 43 41.100 41.100 40.910 0.190 18156 2239 1 5 . 1 1 43 43 PHE H H 43 7.610 7.610 7.328 0.282 18156 2240 1 5 . 1 1 44 44 VAL N N 44 121.200 121.200 117.977 3.223 18156 2241 1 5 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.255 0.335 18156 2242 1 5 . 1 1 44 44 VAL C C 44 174.600 174.600 174.148 0.452 18156 2243 1 5 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.539 -0.739 18156 2244 1 5 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.695 -1.795 18156 2245 1 5 . 1 1 44 44 VAL H H 44 9.030 9.030 8.504 0.526 18156 2246 1 5 . 1 1 45 45 ARG N N 45 125.000 125.000 127.151 -2.151 18156 2247 1 5 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.742 0.218 18156 2248 1 5 . 1 1 45 45 ARG C C 45 175.400 175.400 174.983 0.417 18156 2249 1 5 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.422 0.578 18156 2250 1 5 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.307 0.893 18156 2251 1 5 . 1 1 45 45 ARG H H 45 9.320 9.320 8.612 0.708 18156 2252 1 5 . 1 1 46 46 VAL N N 46 127.200 127.200 129.953 -2.753 18156 2253 1 5 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.040 0.070 18156 2254 1 5 . 1 1 46 46 VAL C C 46 174.700 174.700 175.071 -0.371 18156 2255 1 5 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.698 -0.498 18156 2256 1 5 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.510 1.590 18156 2257 1 5 . 1 1 46 46 VAL H H 46 8.770 8.770 8.828 -0.058 18156 2258 1 5 . 1 1 47 47 THR N N 47 120.800 120.800 124.168 -3.368 18156 2259 1 5 . 1 1 47 47 THR HA H 47 4.700 4.700 4.610 0.090 18156 2260 1 5 . 1 1 47 47 THR C C 47 174.500 174.500 174.059 0.441 18156 2261 1 5 . 1 1 47 47 THR CA C 47 61.300 61.300 62.586 -1.286 18156 2262 1 5 . 1 1 47 47 THR CB C 47 69.800 69.800 69.652 0.148 18156 2263 1 5 . 1 1 47 47 THR H H 47 8.110 8.110 8.207 -0.097 18156 2264 1 5 . 1 1 48 48 PHE N N 48 125.700 125.700 125.635 0.065 18156 2265 1 5 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.117 0.233 18156 2266 1 5 . 1 1 48 48 PHE C C 48 176.000 176.000 177.186 -1.186 18156 2267 1 5 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.884 -0.584 18156 2268 1 5 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.566 0.835 18156 2269 1 5 . 1 1 48 48 PHE H H 48 9.000 9.000 9.365 -0.365 18156 2270 1 5 . 1 1 49 49 THR N N 49 118.900 118.900 114.616 4.284 18156 2271 1 5 . 1 1 49 49 THR HA H 49 4.330 4.330 4.581 -0.251 18156 2272 1 5 . 1 1 49 49 THR CA C 49 61.200 61.200 60.496 0.704 18156 2273 1 5 . 1 1 49 49 THR CB C 49 69.400 69.400 68.803 0.597 18156 2274 1 5 . 1 1 49 49 THR H H 49 8.620 8.620 8.776 -0.156 18156 2275 1 5 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.126 0.234 18156 2276 1 5 . 1 1 50 50 PRO C C 50 177.700 177.700 177.134 0.566 18156 2277 1 5 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.938 0.562 18156 2278 1 5 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.571 1.229 18156 2279 1 5 . 1 1 51 51 GLY N N 51 111.300 111.300 114.291 -2.991 18156 2280 1 5 . 1 1 51 51 GLY C C 51 175.200 175.200 175.234 -0.034 18156 2281 1 5 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.534 -0.134 18156 2282 1 5 . 1 1 51 51 GLY H H 51 8.880 8.880 8.466 0.414 18156 2283 1 5 . 1 1 52 52 LYS N N 52 118.900 118.900 121.022 -2.122 18156 2284 1 5 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.329 0.241 18156 2285 1 5 . 1 1 52 52 LYS C C 52 175.800 175.800 177.557 -1.757 18156 2286 1 5 . 1 1 52 52 LYS CA C 52 54.800 54.800 56.518 -1.718 18156 2287 1 5 . 1 1 52 52 LYS CB C 52 32.600 32.600 32.586 0.014 18156 2288 1 5 . 1 1 52 52 LYS H H 52 8.110 8.110 8.151 -0.041 18156 2289 1 5 . 1 1 53 53 THR N N 53 114.700 114.700 116.702 -2.002 18156 2290 1 5 . 1 1 53 53 THR HA H 53 4.180 4.180 4.383 -0.203 18156 2291 1 5 . 1 1 53 53 THR CA C 53 60.400 60.400 60.610 -0.210 18156 2292 1 5 . 1 1 53 53 THR CB C 53 69.100 69.100 68.492 0.608 18156 2293 1 5 . 1 1 53 53 THR H H 53 7.700 7.700 7.821 -0.121 18156 2294 1 5 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.695 -0.285 18156 2295 1 5 . 1 1 54 54 PRO C C 54 177.500 177.500 177.402 0.098 18156 2296 1 5 . 1 1 54 54 PRO CA C 54 63.200 63.200 61.780 1.420 18156 2297 1 5 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.825 -0.525 18156 2298 1 5 . 1 1 55 55 VAL N N 55 119.300 119.300 117.260 2.040 18156 2299 1 5 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.874 0.126 18156 2300 1 5 . 1 1 55 55 VAL C C 55 176.000 176.000 176.780 -0.780 18156 2301 1 5 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.408 -1.108 18156 2302 1 5 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.416 0.985 18156 2303 1 5 . 1 1 55 55 VAL H H 55 8.190 8.190 8.156 0.034 18156 2304 1 5 . 1 1 56 56 ASP N N 56 120.300 120.300 121.181 -0.881 18156 2305 1 5 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.586 -0.016 18156 2306 1 5 . 1 1 56 56 ASP C C 56 177.000 177.000 176.310 0.690 18156 2307 1 5 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.135 0.165 18156 2308 1 5 . 1 1 56 56 ASP CB C 56 40.700 40.700 38.804 1.896 18156 2309 1 5 . 1 1 56 56 ASP H H 56 8.170 8.170 8.426 -0.256 18156 2310 1 5 . 1 1 57 57 GLY N N 57 108.300 108.300 109.378 -1.078 18156 2311 1 5 . 1 1 57 57 GLY C C 57 173.700 173.700 173.629 0.071 18156 2312 1 5 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.706 1.095 18156 2313 1 5 . 1 1 57 57 GLY H H 57 8.110 8.110 7.852 0.258 18156 2314 1 5 . 1 1 58 58 GLN N N 58 118.900 118.900 120.299 -1.399 18156 2315 1 5 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.354 0.146 18156 2316 1 5 . 1 1 58 58 GLN C C 58 175.700 175.700 175.112 0.588 18156 2317 1 5 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.244 0.956 18156 2318 1 5 . 1 1 58 58 GLN CB C 58 30.200 30.200 30.281 -0.081 18156 2319 1 5 . 1 1 58 58 GLN H H 58 8.070 8.070 7.486 0.584 18156 2320 1 5 . 1 1 59 59 TYR N N 59 118.800 118.800 120.243 -1.443 18156 2321 1 5 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.070 0.060 18156 2322 1 5 . 1 1 59 59 TYR C C 59 177.500 177.500 175.542 1.958 18156 2323 1 5 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.607 -0.907 18156 2324 1 5 . 1 1 59 59 TYR CB C 59 39.300 39.300 40.875 -1.575 18156 2325 1 5 . 1 1 59 59 TYR H H 59 8.110 8.110 8.543 -0.433 18156 2326 1 5 . 1 1 60 60 VAL N N 60 115.600 115.600 115.255 0.345 18156 2327 1 5 . 1 1 60 60 VAL HA H 60 5.500 5.500 4.995 0.505 18156 2328 1 5 . 1 1 60 60 VAL C C 60 174.700 174.700 174.818 -0.118 18156 2329 1 5 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.239 -0.239 18156 2330 1 5 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.075 -0.075 18156 2331 1 5 . 1 1 60 60 VAL H H 60 8.250 8.250 8.435 -0.185 18156 2332 1 5 . 1 1 61 61 TRP N N 61 120.800 120.800 118.182 2.618 18156 2333 1 5 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.268 0.652 18156 2334 1 5 . 1 1 61 61 TRP C C 61 172.700 172.700 173.513 -0.813 18156 2335 1 5 . 1 1 61 61 TRP CA C 61 55.000 55.000 56.020 -1.020 18156 2336 1 5 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.364 0.536 18156 2337 1 5 . 1 1 61 61 TRP H H 61 8.500 8.500 8.550 -0.050 18156 2338 1 5 . 1 1 62 62 PHE N N 62 112.100 112.100 115.181 -3.081 18156 2339 1 5 . 1 1 62 62 PHE HA H 62 5.040 5.040 5.023 0.017 18156 2340 1 5 . 1 1 62 62 PHE C C 62 174.800 174.800 173.811 0.989 18156 2341 1 5 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.262 -0.862 18156 2342 1 5 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.779 0.121 18156 2343 1 5 . 1 1 62 62 PHE H H 62 8.700 8.700 8.670 0.030 18156 2344 1 5 . 1 1 63 63 ASN N N 63 120.800 120.800 120.180 0.620 18156 2345 1 5 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.885 0.275 18156 2346 1 5 . 1 1 63 63 ASN C C 63 175.800 175.800 174.749 1.051 18156 2347 1 5 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.258 0.842 18156 2348 1 5 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.783 0.817 18156 2349 1 5 . 1 1 63 63 ASN H H 63 9.340 9.340 8.865 0.475 18156 2350 1 5 . 1 1 64 64 ILE N N 64 113.400 113.400 116.622 -3.222 18156 2351 1 5 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.565 0.085 18156 2352 1 5 . 1 1 64 64 ILE C C 64 175.300 175.300 177.257 -1.957 18156 2353 1 5 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.200 -1.100 18156 2354 1 5 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.618 2.482 18156 2355 1 5 . 1 1 64 64 ILE H H 64 7.820 7.820 7.722 0.098 18156 2356 1 5 . 1 1 65 65 GLY N N 65 110.700 110.700 110.245 0.455 18156 2357 1 5 . 1 1 65 65 GLY C C 65 174.300 174.300 175.099 -0.799 18156 2358 1 5 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.587 -0.787 18156 2359 1 5 . 1 1 65 65 GLY H H 65 8.570 8.570 7.875 0.695 18156 2360 1 5 . 1 1 66 66 SER N N 66 113.800 113.800 120.682 -6.882 18156 2361 1 5 . 1 1 66 66 SER HA H 66 4.730 4.730 4.433 0.297 18156 2362 1 5 . 1 1 66 66 SER C C 66 175.500 175.500 175.225 0.275 18156 2363 1 5 . 1 1 66 66 SER CA C 66 56.800 56.800 58.076 -1.276 18156 2364 1 5 . 1 1 66 66 SER CB C 66 64.500 64.500 62.791 1.708 18156 2365 1 5 . 1 1 66 66 SER H H 66 7.680 7.680 7.984 -0.304 18156 2366 1 5 . 1 1 67 67 VAL N N 67 127.000 127.000 126.117 0.883 18156 2367 1 5 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.776 0.044 18156 2368 1 5 . 1 1 67 67 VAL C C 67 176.700 176.700 177.282 -0.582 18156 2369 1 5 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.612 0.987 18156 2370 1 5 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.658 0.042 18156 2371 1 5 . 1 1 67 67 VAL H H 67 9.150 9.150 7.781 1.369 18156 2372 1 5 . 1 1 68 68 ASP N N 68 118.800 118.800 118.830 -0.030 18156 2373 1 5 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.421 0.029 18156 2374 1 5 . 1 1 68 68 ASP C C 68 178.700 178.700 178.153 0.547 18156 2375 1 5 . 1 1 68 68 ASP CA C 68 57.300 57.300 58.544 -1.244 18156 2376 1 5 . 1 1 68 68 ASP CB C 68 40.700 40.700 39.811 0.889 18156 2377 1 5 . 1 1 68 68 ASP H H 68 8.320 8.320 8.811 -0.491 18156 2378 1 5 . 1 1 69 69 THR N N 69 114.500 114.500 116.872 -2.372 18156 2379 1 5 . 1 1 69 69 THR HA H 69 3.910 3.910 4.083 -0.173 18156 2380 1 5 . 1 1 69 69 THR C C 69 175.500 175.500 175.915 -0.415 18156 2381 1 5 . 1 1 69 69 THR CA C 69 65.600 65.600 65.893 -0.293 18156 2382 1 5 . 1 1 69 69 THR CB C 69 68.900 68.900 68.516 0.384 18156 2383 1 5 . 1 1 69 69 THR H H 69 7.710 7.710 7.916 -0.206 18156 2384 1 5 . 1 1 70 70 PHE N N 70 122.800 122.800 122.352 0.448 18156 2385 1 5 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.780 0.540 18156 2386 1 5 . 1 1 70 70 PHE C C 70 176.000 176.000 176.726 -0.726 18156 2387 1 5 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.216 -0.716 18156 2388 1 5 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.020 0.080 18156 2389 1 5 . 1 1 70 70 PHE H H 70 7.680 7.680 8.126 -0.446 18156 2390 1 5 . 1 1 71 71 GLU N N 71 118.400 118.400 118.510 -0.110 18156 2391 1 5 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.628 -0.258 18156 2392 1 5 . 1 1 71 71 GLU C C 71 179.900 179.900 179.032 0.868 18156 2393 1 5 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.572 0.628 18156 2394 1 5 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.048 0.152 18156 2395 1 5 . 1 1 71 71 GLU H H 71 8.660 8.660 8.211 0.449 18156 2396 1 5 . 1 1 72 72 ARG N N 72 119.500 119.500 120.216 -0.716 18156 2397 1 5 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.263 -0.103 18156 2398 1 5 . 1 1 72 72 ARG C C 72 179.200 179.200 178.896 0.304 18156 2399 1 5 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.572 0.528 18156 2400 1 5 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.057 0.043 18156 2401 1 5 . 1 1 72 72 ARG H H 72 7.960 7.960 8.024 -0.064 18156 2402 1 5 . 1 1 73 73 ASN N N 73 119.900 119.900 118.275 1.625 18156 2403 1 5 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.448 0.062 18156 2404 1 5 . 1 1 73 73 ASN C C 73 178.100 178.100 177.837 0.263 18156 2405 1 5 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.982 -0.482 18156 2406 1 5 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.480 -1.080 18156 2407 1 5 . 1 1 73 73 ASN H H 73 8.610 8.610 8.055 0.555 18156 2408 1 5 . 1 1 74 74 LEU N N 74 121.900 121.900 121.823 0.077 18156 2409 1 5 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.258 -0.008 18156 2410 1 5 . 1 1 74 74 LEU C C 74 179.100 179.100 178.359 0.741 18156 2411 1 5 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.335 -0.035 18156 2412 1 5 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.697 0.103 18156 2413 1 5 . 1 1 74 74 LEU H H 74 8.720 8.720 8.130 0.590 18156 2414 1 5 . 1 1 75 75 GLU N N 75 120.700 120.700 118.815 1.885 18156 2415 1 5 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.878 0.232 18156 2416 1 5 . 1 1 75 75 GLU C C 75 178.900 178.900 179.163 -0.263 18156 2417 1 5 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.969 -0.069 18156 2418 1 5 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.433 -0.133 18156 2419 1 5 . 1 1 75 75 GLU H H 75 8.070 8.070 8.347 -0.277 18156 2420 1 5 . 1 1 76 76 THR N N 76 115.700 115.700 116.494 -0.794 18156 2421 1 5 . 1 1 76 76 THR HA H 76 4.000 4.000 4.242 -0.242 18156 2422 1 5 . 1 1 76 76 THR C C 76 176.600 176.600 176.929 -0.329 18156 2423 1 5 . 1 1 76 76 THR CA C 76 66.500 66.500 66.164 0.336 18156 2424 1 5 . 1 1 76 76 THR CB C 76 69.000 69.000 68.900 0.100 18156 2425 1 5 . 1 1 76 76 THR H H 76 8.400 8.400 7.682 0.718 18156 2426 1 5 . 1 1 77 77 LEU N N 77 122.200 122.200 122.593 -0.393 18156 2427 1 5 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.987 0.273 18156 2428 1 5 . 1 1 77 77 LEU C C 77 179.200 179.200 178.396 0.804 18156 2429 1 5 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.405 -1.105 18156 2430 1 5 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.742 0.158 18156 2431 1 5 . 1 1 77 77 LEU H H 77 8.330 8.330 8.343 -0.013 18156 2432 1 5 . 1 1 78 78 GLN N N 78 115.700 115.700 117.025 -1.325 18156 2433 1 5 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.902 -0.022 18156 2434 1 5 . 1 1 78 78 GLN C C 78 177.600 177.600 178.663 -1.063 18156 2435 1 5 . 1 1 78 78 GLN CA C 78 61.300 61.300 58.986 2.314 18156 2436 1 5 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.499 0.901 18156 2437 1 5 . 1 1 78 78 GLN H H 78 8.200 8.200 7.997 0.203 18156 2438 1 5 . 1 1 79 79 GLN N N 79 118.400 118.400 118.825 -0.425 18156 2439 1 5 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.004 0.136 18156 2440 1 5 . 1 1 79 79 GLN C C 79 180.000 180.000 178.815 1.185 18156 2441 1 5 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.875 0.325 18156 2442 1 5 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.532 -0.332 18156 2443 1 5 . 1 1 79 79 GLN H H 79 7.980 7.980 7.835 0.145 18156 2444 1 5 . 1 1 80 80 GLU N N 80 121.700 121.700 119.425 2.275 18156 2445 1 5 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.131 -0.081 18156 2446 1 5 . 1 1 80 80 GLU C C 80 178.800 178.800 178.677 0.123 18156 2447 1 5 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.494 0.806 18156 2448 1 5 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.443 0.157 18156 2449 1 5 . 1 1 80 80 GLU H H 80 8.400 8.400 7.739 0.661 18156 2450 1 5 . 1 1 81 81 LEU N N 81 117.200 117.200 117.595 -0.395 18156 2451 1 5 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.226 0.074 18156 2452 1 5 . 1 1 81 81 LEU C C 81 177.400 177.400 178.113 -0.713 18156 2453 1 5 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.701 -0.601 18156 2454 1 5 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.320 0.480 18156 2455 1 5 . 1 1 81 81 LEU H H 81 8.120 8.120 8.234 -0.114 18156 2456 1 5 . 1 1 82 82 GLY N N 82 108.900 108.900 106.266 2.634 18156 2457 1 5 . 1 1 82 82 GLY C C 82 174.600 174.600 174.626 -0.026 18156 2458 1 5 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.325 0.975 18156 2459 1 5 . 1 1 82 82 GLY H H 82 7.840 7.840 7.623 0.217 18156 2460 1 5 . 1 1 83 83 ILE N N 83 121.900 121.900 123.298 -1.398 18156 2461 1 5 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.961 0.039 18156 2462 1 5 . 1 1 83 83 ILE C C 83 175.300 175.300 174.608 0.692 18156 2463 1 5 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.040 -0.540 18156 2464 1 5 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.975 0.825 18156 2465 1 5 . 1 1 83 83 ILE H H 83 8.250 8.250 7.863 0.387 18156 2466 1 5 . 1 1 84 84 GLU N N 84 126.600 126.600 124.891 1.709 18156 2467 1 5 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.574 -0.074 18156 2468 1 5 . 1 1 84 84 GLU C C 84 177.400 177.400 176.757 0.643 18156 2469 1 5 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.981 0.319 18156 2470 1 5 . 1 1 84 84 GLU CB C 84 32.600 32.600 33.675 -1.075 18156 2471 1 5 . 1 1 84 84 GLU H H 84 8.760 8.760 7.929 0.831 18156 2472 1 5 . 1 1 85 85 GLY N N 85 109.400 109.400 111.933 -2.533 18156 2473 1 5 . 1 1 85 85 GLY C C 85 176.600 176.600 175.600 1.000 18156 2474 1 5 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.245 0.155 18156 2475 1 5 . 1 1 85 85 GLY H H 85 8.870 8.870 8.880 -0.010 18156 2476 1 5 . 1 1 86 86 GLU N N 86 123.900 123.900 124.345 -0.445 18156 2477 1 5 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.193 0.057 18156 2478 1 5 . 1 1 86 86 GLU C C 86 176.200 176.200 177.144 -0.944 18156 2479 1 5 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.805 -0.005 18156 2480 1 5 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.769 -0.669 18156 2481 1 5 . 1 1 86 86 GLU H H 86 9.240 9.240 8.481 0.759 18156 2482 1 5 . 1 1 87 87 ASN N N 87 115.900 115.900 115.980 -0.080 18156 2483 1 5 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.759 0.071 18156 2484 1 5 . 1 1 87 87 ASN C C 87 174.600 174.600 174.777 -0.177 18156 2485 1 5 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.623 -0.423 18156 2486 1 5 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.182 0.218 18156 2487 1 5 . 1 1 87 87 ASN H H 87 8.050 8.050 7.894 0.156 18156 2488 1 5 . 1 1 88 88 ARG N N 88 119.300 119.300 122.007 -2.707 18156 2489 1 5 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.201 -0.151 18156 2490 1 5 . 1 1 88 88 ARG C C 88 176.600 176.600 176.629 -0.029 18156 2491 1 5 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.657 -0.057 18156 2492 1 5 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.023 0.577 18156 2493 1 5 . 1 1 88 88 ARG H H 88 7.230 7.230 7.251 -0.021 18156 2494 1 5 . 1 1 89 89 VAL N N 89 124.700 124.700 128.671 -3.971 18156 2495 1 5 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.096 0.194 18156 2496 1 5 . 1 1 89 89 VAL CA C 89 60.000 60.000 61.512 -1.512 18156 2497 1 5 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.580 1.520 18156 2498 1 5 . 1 1 89 89 VAL H H 89 8.780 8.780 8.539 0.241 18156 2499 1 5 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.435 0.075 18156 2500 1 5 . 1 1 90 90 PRO C C 90 175.100 175.100 175.219 -0.119 18156 2501 1 5 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.242 -0.143 18156 2502 1 5 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.224 0.376 18156 2503 1 5 . 1 1 91 91 VAL N N 91 121.600 121.600 122.216 -0.616 18156 2504 1 5 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.724 0.086 18156 2505 1 5 . 1 1 91 91 VAL C C 91 176.100 176.100 176.141 -0.041 18156 2506 1 5 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.616 -0.316 18156 2507 1 5 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.233 0.967 18156 2508 1 5 . 1 1 91 91 VAL H H 91 8.030 8.030 8.253 -0.223 18156 2509 1 5 . 1 1 92 92 VAL N N 92 124.800 124.800 128.354 -3.554 18156 2510 1 5 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.329 0.211 18156 2511 1 5 . 1 1 92 92 VAL C C 92 173.600 173.600 174.667 -1.067 18156 2512 1 5 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.272 -1.572 18156 2513 1 5 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.909 1.991 18156 2514 1 5 . 1 1 92 92 VAL H H 92 8.640 8.640 8.566 0.074 18156 2515 1 5 . 1 1 93 93 TYR N N 93 124.700 124.700 127.356 -2.656 18156 2516 1 5 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.495 0.435 18156 2517 1 5 . 1 1 93 93 TYR C C 93 175.700 175.700 175.733 -0.033 18156 2518 1 5 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.836 -1.436 18156 2519 1 5 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.346 1.153 18156 2520 1 5 . 1 1 93 93 TYR H H 93 8.800 8.800 8.621 0.179 18156 2521 1 5 . 1 1 94 94 ILE N N 94 123.100 123.100 124.890 -1.790 18156 2522 1 5 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.297 0.213 18156 2523 1 5 . 1 1 94 94 ILE C C 94 173.700 173.700 175.148 -1.448 18156 2524 1 5 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.382 -0.181 18156 2525 1 5 . 1 1 94 94 ILE CB C 94 41.500 41.500 38.020 3.480 18156 2526 1 5 . 1 1 94 94 ILE H H 94 9.000 9.000 7.982 1.018 18156 2527 1 5 . 1 1 95 95 ALA N N 95 128.000 128.000 130.861 -2.861 18156 2528 1 5 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.365 0.625 18156 2529 1 5 . 1 1 95 95 ALA C C 95 177.000 177.000 178.019 -1.019 18156 2530 1 5 . 1 1 95 95 ALA CA C 95 50.500 50.500 52.255 -1.755 18156 2531 1 5 . 1 1 95 95 ALA CB C 95 20.400 20.400 18.380 2.020 18156 2532 1 5 . 1 1 95 95 ALA H H 95 8.450 8.450 8.862 -0.412 18156 2533 1 5 . 1 1 96 96 GLU N N 96 122.200 122.200 116.244 5.956 18156 2534 1 5 . 1 1 96 96 GLU HA H 96 4.520 4.520 3.766 0.754 18156 2535 1 5 . 1 1 96 96 GLU C C 96 176.000 176.000 176.626 -0.626 18156 2536 1 5 . 1 1 96 96 GLU CA C 96 55.500 55.500 58.642 -3.142 18156 2537 1 5 . 1 1 96 96 GLU CB C 96 32.800 32.800 28.523 4.277 18156 2538 1 5 . 1 1 96 96 GLU H H 96 8.850 8.850 8.537 0.313 18156 2539 1 5 . 1 1 97 97 SER N N 97 118.600 118.600 112.720 5.880 18156 2540 1 5 . 1 1 97 97 SER HA H 97 4.430 4.430 4.165 0.265 18156 2541 1 5 . 1 1 97 97 SER C C 97 174.200 174.200 174.496 -0.296 18156 2542 1 5 . 1 1 97 97 SER CA C 97 58.500 58.500 59.384 -0.884 18156 2543 1 5 . 1 1 97 97 SER CB C 97 63.800 63.800 61.884 1.916 18156 2544 1 5 . 1 1 97 97 SER H H 97 8.650 8.650 8.368 0.282 18156 2545 1 5 . 1 1 98 98 ASP N N 98 123.200 123.200 120.418 2.782 18156 2546 1 5 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.427 0.243 18156 2547 1 5 . 1 1 98 98 ASP C C 98 175.500 175.500 176.678 -1.178 18156 2548 1 5 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.678 -1.278 18156 2549 1 5 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.139 0.261 18156 2550 1 5 . 1 1 98 98 ASP H H 98 8.500 8.500 8.332 0.168 18156 2551 1 6 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.179 -1.679 18156 2552 1 6 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.945 -0.355 18156 2553 1 6 . 1 1 10 10 HIS C C 10 175.500 175.500 173.735 1.765 18156 2554 1 6 . 1 1 10 10 HIS CA C 10 56.500 56.500 54.873 1.627 18156 2555 1 6 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.179 0.021 18156 2556 1 6 . 1 1 11 11 MET N N 11 120.900 120.900 124.229 -3.329 18156 2557 1 6 . 1 1 11 11 MET HA H 11 4.290 4.290 4.411 -0.121 18156 2558 1 6 . 1 1 11 11 MET C C 11 176.300 176.300 176.978 -0.678 18156 2559 1 6 . 1 1 11 11 MET CA C 11 55.900 55.900 55.174 0.726 18156 2560 1 6 . 1 1 11 11 MET CB C 11 32.700 32.700 33.753 -1.053 18156 2561 1 6 . 1 1 11 11 MET H H 11 8.210 8.210 8.805 -0.595 18156 2562 1 6 . 1 1 12 12 LYS N N 12 122.100 122.100 119.363 2.737 18156 2563 1 6 . 1 1 12 12 LYS HA H 12 4.130 4.130 3.948 0.182 18156 2564 1 6 . 1 1 12 12 LYS C C 12 176.700 176.700 176.148 0.552 18156 2565 1 6 . 1 1 12 12 LYS CA C 12 56.800 56.800 58.158 -1.358 18156 2566 1 6 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.164 1.636 18156 2567 1 6 . 1 1 12 12 LYS H H 12 8.300 8.300 8.300 0.000 18156 2568 1 6 . 1 1 13 13 ARG N N 13 121.500 121.500 122.060 -0.560 18156 2569 1 6 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.389 -0.119 18156 2570 1 6 . 1 1 13 13 ARG C C 13 176.200 176.200 176.856 -0.656 18156 2571 1 6 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.175 0.025 18156 2572 1 6 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.594 0.206 18156 2573 1 6 . 1 1 13 13 ARG H H 13 8.160 8.160 7.958 0.202 18156 2574 1 6 . 1 1 14 14 SER N N 14 116.700 116.700 119.339 -2.639 18156 2575 1 6 . 1 1 14 14 SER HA H 14 4.530 4.530 4.561 -0.031 18156 2576 1 6 . 1 1 14 14 SER C C 14 173.600 173.600 174.773 -1.173 18156 2577 1 6 . 1 1 14 14 SER CA C 14 58.300 58.300 58.595 -0.295 18156 2578 1 6 . 1 1 14 14 SER CB C 14 64.100 64.100 63.569 0.531 18156 2579 1 6 . 1 1 14 14 SER H H 14 8.160 8.160 8.721 -0.561 18156 2580 1 6 . 1 1 15 15 GLY N N 15 109.300 109.300 109.639 -0.339 18156 2581 1 6 . 1 1 15 15 GLY C C 15 173.000 173.000 173.917 -0.917 18156 2582 1 6 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.826 -0.126 18156 2583 1 6 . 1 1 15 15 GLY H H 15 8.100 8.100 7.808 0.292 18156 2584 1 6 . 1 1 16 16 ARG N N 16 122.300 122.300 122.682 -0.382 18156 2585 1 6 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.288 0.242 18156 2586 1 6 . 1 1 16 16 ARG C C 16 173.200 173.200 175.476 -2.276 18156 2587 1 6 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.854 -0.554 18156 2588 1 6 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.424 1.476 18156 2589 1 6 . 1 1 16 16 ARG H H 16 8.460 8.460 8.638 -0.178 18156 2590 1 6 . 1 1 17 17 GLU N N 17 126.800 126.800 126.528 0.272 18156 2591 1 6 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.945 -0.725 18156 2592 1 6 . 1 1 17 17 GLU C C 17 177.000 177.000 176.392 0.608 18156 2593 1 6 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.552 -0.552 18156 2594 1 6 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.248 0.852 18156 2595 1 6 . 1 1 17 17 GLU H H 17 8.190 8.190 8.418 -0.228 18156 2596 1 6 . 1 1 18 18 ILE N N 18 122.600 122.600 123.183 -0.583 18156 2597 1 6 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.594 0.366 18156 2598 1 6 . 1 1 18 18 ILE C C 18 174.600 174.600 175.391 -0.791 18156 2599 1 6 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.389 -0.189 18156 2600 1 6 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.256 1.644 18156 2601 1 6 . 1 1 18 18 ILE H H 18 8.870 8.870 8.472 0.398 18156 2602 1 6 . 1 1 19 19 THR N N 19 108.700 108.700 110.775 -2.075 18156 2603 1 6 . 1 1 19 19 THR HA H 19 4.760 4.760 4.757 0.003 18156 2604 1 6 . 1 1 19 19 THR C C 19 175.400 175.400 175.542 -0.142 18156 2605 1 6 . 1 1 19 19 THR CA C 19 59.800 59.800 59.746 0.054 18156 2606 1 6 . 1 1 19 19 THR CB C 19 72.100 72.100 71.984 0.116 18156 2607 1 6 . 1 1 19 19 THR H H 19 8.140 8.140 8.577 -0.437 18156 2608 1 6 . 1 1 20 20 TRP N N 20 121.900 121.900 123.538 -1.638 18156 2609 1 6 . 1 1 20 20 TRP HA H 20 3.900 3.900 4.043 -0.143 18156 2610 1 6 . 1 1 20 20 TRP C C 20 176.600 176.600 177.269 -0.669 18156 2611 1 6 . 1 1 20 20 TRP CA C 20 60.000 60.000 61.046 -1.046 18156 2612 1 6 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.706 -0.406 18156 2613 1 6 . 1 1 20 20 TRP H H 20 9.060 9.060 8.814 0.246 18156 2614 1 6 . 1 1 21 21 LYS N N 21 116.900 116.900 118.855 -1.955 18156 2615 1 6 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.931 -0.271 18156 2616 1 6 . 1 1 21 21 LYS C C 21 178.200 178.200 178.190 0.010 18156 2617 1 6 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.947 -0.247 18156 2618 1 6 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.040 0.160 18156 2619 1 6 . 1 1 21 21 LYS H H 21 8.320 8.320 8.360 -0.040 18156 2620 1 6 . 1 1 22 22 ASP N N 22 119.000 119.000 119.256 -0.256 18156 2621 1 6 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.474 -0.204 18156 2622 1 6 . 1 1 22 22 ASP C C 22 178.500 178.500 178.840 -0.340 18156 2623 1 6 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.201 -0.201 18156 2624 1 6 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.611 0.688 18156 2625 1 6 . 1 1 22 22 ASP H H 22 7.670 7.670 7.584 0.086 18156 2626 1 6 . 1 1 23 23 PHE N N 23 120.000 120.000 121.864 -1.864 18156 2627 1 6 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.214 0.036 18156 2628 1 6 . 1 1 23 23 PHE C C 23 177.500 177.500 176.747 0.753 18156 2629 1 6 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.878 -0.078 18156 2630 1 6 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.544 -0.944 18156 2631 1 6 . 1 1 23 23 PHE H H 23 8.430 8.430 8.073 0.357 18156 2632 1 6 . 1 1 24 24 VAL N N 24 120.700 120.700 118.173 2.527 18156 2633 1 6 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.957 -0.227 18156 2634 1 6 . 1 1 24 24 VAL C C 24 178.200 178.200 177.977 0.223 18156 2635 1 6 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.174 0.726 18156 2636 1 6 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.757 1.343 18156 2637 1 6 . 1 1 24 24 VAL H H 24 8.250 8.250 7.749 0.501 18156 2638 1 6 . 1 1 25 25 ASN N N 25 116.700 116.700 116.968 -0.268 18156 2639 1 6 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.370 -0.170 18156 2640 1 6 . 1 1 25 25 ASN C C 25 176.200 176.200 176.183 0.017 18156 2641 1 6 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.171 -0.171 18156 2642 1 6 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.720 -0.020 18156 2643 1 6 . 1 1 25 25 ASN H H 25 8.260 8.260 7.898 0.362 18156 2644 1 6 . 1 1 26 26 ASN N N 26 112.300 112.300 115.190 -2.890 18156 2645 1 6 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.388 0.212 18156 2646 1 6 . 1 1 26 26 ASN C C 26 174.500 174.500 175.315 -0.815 18156 2647 1 6 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.934 -1.333 18156 2648 1 6 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.808 -0.008 18156 2649 1 6 . 1 1 26 26 ASN H H 26 8.490 8.490 7.879 0.611 18156 2650 1 6 . 1 1 27 27 TYR N N 27 113.700 113.700 116.380 -2.680 18156 2651 1 6 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.620 0.210 18156 2652 1 6 . 1 1 27 27 TYR C C 27 176.500 176.500 176.482 0.018 18156 2653 1 6 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.461 -1.261 18156 2654 1 6 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.767 0.532 18156 2655 1 6 . 1 1 27 27 TYR H H 27 7.000 7.000 7.339 -0.339 18156 2656 1 6 . 1 1 28 28 LEU N N 28 122.700 122.700 121.200 1.500 18156 2657 1 6 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.879 -0.049 18156 2658 1 6 . 1 1 28 28 LEU C C 28 179.700 179.700 178.828 0.872 18156 2659 1 6 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.496 0.804 18156 2660 1 6 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.734 -0.334 18156 2661 1 6 . 1 1 28 28 LEU H H 28 8.180 8.180 8.282 -0.102 18156 2662 1 6 . 1 1 29 29 SER N N 29 109.300 109.300 114.068 -4.768 18156 2663 1 6 . 1 1 29 29 SER HA H 29 4.120 4.120 4.180 -0.060 18156 2664 1 6 . 1 1 29 29 SER C C 29 174.000 174.000 175.683 -1.683 18156 2665 1 6 . 1 1 29 29 SER CA C 29 60.300 60.300 60.772 -0.472 18156 2666 1 6 . 1 1 29 29 SER CB C 29 63.100 63.100 62.808 0.292 18156 2667 1 6 . 1 1 29 29 SER H H 29 7.940 7.940 8.316 -0.376 18156 2668 1 6 . 1 1 30 30 LYS N N 30 117.200 117.200 120.004 -2.804 18156 2669 1 6 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.347 0.113 18156 2670 1 6 . 1 1 30 30 LYS C C 30 177.200 177.200 176.486 0.714 18156 2671 1 6 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.861 -1.061 18156 2672 1 6 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.691 0.309 18156 2673 1 6 . 1 1 30 30 LYS H H 30 6.680 6.680 7.280 -0.600 18156 2674 1 6 . 1 1 31 31 GLY N N 31 107.100 107.100 108.219 -1.119 18156 2675 1 6 . 1 1 31 31 GLY C C 31 175.700 175.700 175.292 0.408 18156 2676 1 6 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.164 1.236 18156 2677 1 6 . 1 1 31 31 GLY H H 31 7.660 7.660 7.701 -0.041 18156 2678 1 6 . 1 1 32 32 VAL N N 32 107.300 107.300 110.558 -3.258 18156 2679 1 6 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.358 0.272 18156 2680 1 6 . 1 1 32 32 VAL C C 32 174.800 174.800 175.809 -1.009 18156 2681 1 6 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.162 -1.362 18156 2682 1 6 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.364 -0.264 18156 2683 1 6 . 1 1 32 32 VAL H H 32 6.910 6.910 7.328 -0.418 18156 2684 1 6 . 1 1 33 33 VAL N N 33 122.000 122.000 120.220 1.780 18156 2685 1 6 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.321 -0.321 18156 2686 1 6 . 1 1 33 33 VAL C C 33 174.500 174.500 176.310 -1.810 18156 2687 1 6 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.489 1.811 18156 2688 1 6 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.019 0.081 18156 2689 1 6 . 1 1 33 33 VAL H H 33 8.180 8.180 7.493 0.687 18156 2690 1 6 . 1 1 34 34 ASP N N 34 128.200 128.200 128.288 -0.088 18156 2691 1 6 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.539 0.221 18156 2692 1 6 . 1 1 34 34 ASP C C 34 175.400 175.400 175.433 -0.033 18156 2693 1 6 . 1 1 34 34 ASP CA C 34 55.300 55.300 57.136 -1.836 18156 2694 1 6 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.606 0.994 18156 2695 1 6 . 1 1 34 34 ASP H H 34 9.150 9.150 8.968 0.182 18156 2696 1 6 . 1 1 35 35 ARG N N 35 112.200 112.200 115.510 -3.310 18156 2697 1 6 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.579 0.041 18156 2698 1 6 . 1 1 35 35 ARG C C 35 172.900 172.900 173.826 -0.926 18156 2699 1 6 . 1 1 35 35 ARG CA C 35 55.300 55.300 55.336 -0.036 18156 2700 1 6 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.949 -0.849 18156 2701 1 6 . 1 1 35 35 ARG H H 35 7.440 7.440 7.611 -0.171 18156 2702 1 6 . 1 1 36 36 LEU N N 36 120.400 120.400 124.595 -4.195 18156 2703 1 6 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.194 -0.174 18156 2704 1 6 . 1 1 36 36 LEU C C 36 174.800 174.800 175.281 -0.481 18156 2705 1 6 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.684 -0.684 18156 2706 1 6 . 1 1 36 36 LEU CB C 36 43.900 43.900 44.145 -0.245 18156 2707 1 6 . 1 1 36 36 LEU H H 36 8.410 8.410 8.952 -0.542 18156 2708 1 6 . 1 1 37 37 GLU N N 37 120.800 120.800 124.748 -3.948 18156 2709 1 6 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.919 0.011 18156 2710 1 6 . 1 1 37 37 GLU C C 37 174.400 174.400 175.716 -1.316 18156 2711 1 6 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.490 -1.190 18156 2712 1 6 . 1 1 37 37 GLU CB C 37 31.700 31.700 31.213 0.487 18156 2713 1 6 . 1 1 37 37 GLU H H 37 8.470 8.470 8.672 -0.202 18156 2714 1 6 . 1 1 38 38 VAL N N 38 125.600 125.600 127.337 -1.737 18156 2715 1 6 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.792 0.218 18156 2716 1 6 . 1 1 38 38 VAL C C 38 175.500 175.500 174.879 0.621 18156 2717 1 6 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.780 -0.380 18156 2718 1 6 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.293 0.507 18156 2719 1 6 . 1 1 38 38 VAL H H 38 9.130 9.130 8.382 0.748 18156 2720 1 6 . 1 1 39 39 VAL N N 39 131.700 131.700 128.885 2.815 18156 2721 1 6 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.441 -0.261 18156 2722 1 6 . 1 1 39 39 VAL C C 39 175.600 175.600 175.960 -0.360 18156 2723 1 6 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.632 1.068 18156 2724 1 6 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.752 0.049 18156 2725 1 6 . 1 1 39 39 VAL H H 39 9.040 9.040 7.856 1.184 18156 2726 1 6 . 1 1 40 40 ASN N N 40 125.000 125.000 124.763 0.237 18156 2727 1 6 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.208 0.252 18156 2728 1 6 . 1 1 40 40 ASN C C 40 173.300 173.300 174.456 -1.156 18156 2729 1 6 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.830 -0.730 18156 2730 1 6 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.371 -0.371 18156 2731 1 6 . 1 1 40 40 ASN H H 40 9.060 9.060 8.953 0.107 18156 2732 1 6 . 1 1 41 41 LYS N N 41 109.900 109.900 109.788 0.112 18156 2733 1 6 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.784 -0.544 18156 2734 1 6 . 1 1 41 41 LYS C C 41 175.000 175.000 176.033 -1.033 18156 2735 1 6 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.493 -0.193 18156 2736 1 6 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.744 -0.144 18156 2737 1 6 . 1 1 41 41 LYS H H 41 9.250 9.250 8.229 1.021 18156 2738 1 6 . 1 1 42 42 ARG N N 42 115.800 115.800 115.486 0.314 18156 2739 1 6 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.452 0.258 18156 2740 1 6 . 1 1 42 42 ARG C C 42 174.900 174.900 176.637 -1.737 18156 2741 1 6 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.284 -1.084 18156 2742 1 6 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.888 2.312 18156 2743 1 6 . 1 1 42 42 ARG H H 42 8.110 8.110 7.370 0.740 18156 2744 1 6 . 1 1 43 43 PHE N N 43 115.100 115.100 113.028 2.072 18156 2745 1 6 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.088 0.072 18156 2746 1 6 . 1 1 43 43 PHE C C 43 171.200 171.200 172.774 -1.574 18156 2747 1 6 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.017 -0.317 18156 2748 1 6 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.474 -0.374 18156 2749 1 6 . 1 1 43 43 PHE H H 43 7.610 7.610 7.526 0.084 18156 2750 1 6 . 1 1 44 44 VAL N N 44 121.200 121.200 117.686 3.514 18156 2751 1 6 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.281 0.309 18156 2752 1 6 . 1 1 44 44 VAL C C 44 174.600 174.600 174.296 0.304 18156 2753 1 6 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.446 -0.646 18156 2754 1 6 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.825 -1.925 18156 2755 1 6 . 1 1 44 44 VAL H H 44 9.030 9.030 8.380 0.650 18156 2756 1 6 . 1 1 45 45 ARG N N 45 125.000 125.000 126.614 -1.614 18156 2757 1 6 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.877 0.083 18156 2758 1 6 . 1 1 45 45 ARG C C 45 175.400 175.400 175.350 0.050 18156 2759 1 6 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.429 0.571 18156 2760 1 6 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.716 0.484 18156 2761 1 6 . 1 1 45 45 ARG H H 45 9.320 9.320 8.660 0.660 18156 2762 1 6 . 1 1 46 46 VAL N N 46 127.200 127.200 129.207 -2.007 18156 2763 1 6 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.112 -0.002 18156 2764 1 6 . 1 1 46 46 VAL C C 46 174.700 174.700 174.770 -0.070 18156 2765 1 6 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.725 -0.525 18156 2766 1 6 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.372 1.728 18156 2767 1 6 . 1 1 46 46 VAL H H 46 8.770 8.770 8.932 -0.162 18156 2768 1 6 . 1 1 47 47 THR N N 47 120.800 120.800 124.834 -4.034 18156 2769 1 6 . 1 1 47 47 THR HA H 47 4.700 4.700 4.882 -0.182 18156 2770 1 6 . 1 1 47 47 THR C C 47 174.500 174.500 173.691 0.809 18156 2771 1 6 . 1 1 47 47 THR CA C 47 61.300 61.300 62.345 -1.045 18156 2772 1 6 . 1 1 47 47 THR CB C 47 69.800 69.800 69.741 0.059 18156 2773 1 6 . 1 1 47 47 THR H H 47 8.110 8.110 8.519 -0.409 18156 2774 1 6 . 1 1 48 48 PHE N N 48 125.700 125.700 126.284 -0.584 18156 2775 1 6 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.984 0.366 18156 2776 1 6 . 1 1 48 48 PHE C C 48 176.000 176.000 177.062 -1.062 18156 2777 1 6 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.846 -0.546 18156 2778 1 6 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.184 1.216 18156 2779 1 6 . 1 1 48 48 PHE H H 48 9.000 9.000 9.171 -0.171 18156 2780 1 6 . 1 1 49 49 THR N N 49 118.900 118.900 118.630 0.270 18156 2781 1 6 . 1 1 49 49 THR HA H 49 4.330 4.330 4.474 -0.144 18156 2782 1 6 . 1 1 49 49 THR CA C 49 61.200 61.200 61.491 -0.291 18156 2783 1 6 . 1 1 49 49 THR CB C 49 69.400 69.400 68.451 0.949 18156 2784 1 6 . 1 1 49 49 THR H H 49 8.620 8.620 8.250 0.370 18156 2785 1 6 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.223 0.137 18156 2786 1 6 . 1 1 50 50 PRO C C 50 177.700 177.700 178.331 -0.631 18156 2787 1 6 . 1 1 50 50 PRO CA C 50 64.500 64.500 65.691 -1.191 18156 2788 1 6 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.749 0.051 18156 2789 1 6 . 1 1 51 51 GLY N N 51 111.300 111.300 103.556 7.744 18156 2790 1 6 . 1 1 51 51 GLY C C 51 175.200 175.200 175.493 -0.293 18156 2791 1 6 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.495 -0.095 18156 2792 1 6 . 1 1 51 51 GLY H H 51 8.880 8.880 8.229 0.651 18156 2793 1 6 . 1 1 52 52 LYS N N 52 118.900 118.900 118.517 0.383 18156 2794 1 6 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.397 0.173 18156 2795 1 6 . 1 1 52 52 LYS C C 52 175.800 175.800 177.006 -1.206 18156 2796 1 6 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.738 -0.938 18156 2797 1 6 . 1 1 52 52 LYS CB C 52 32.600 32.600 32.335 0.265 18156 2798 1 6 . 1 1 52 52 LYS H H 52 8.110 8.110 7.542 0.568 18156 2799 1 6 . 1 1 53 53 THR N N 53 114.700 114.700 119.408 -4.708 18156 2800 1 6 . 1 1 53 53 THR HA H 53 4.180 4.180 4.175 0.005 18156 2801 1 6 . 1 1 53 53 THR CA C 53 60.400 60.400 61.571 -1.171 18156 2802 1 6 . 1 1 53 53 THR CB C 53 69.100 69.100 68.281 0.819 18156 2803 1 6 . 1 1 53 53 THR H H 53 7.700 7.700 7.565 0.135 18156 2804 1 6 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.237 0.173 18156 2805 1 6 . 1 1 54 54 PRO C C 54 177.500 177.500 178.069 -0.569 18156 2806 1 6 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.586 0.615 18156 2807 1 6 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.063 0.237 18156 2808 1 6 . 1 1 55 55 VAL N N 55 119.300 119.300 122.651 -3.351 18156 2809 1 6 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.775 0.225 18156 2810 1 6 . 1 1 55 55 VAL C C 55 176.000 176.000 176.557 -0.557 18156 2811 1 6 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.860 -1.560 18156 2812 1 6 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.168 1.232 18156 2813 1 6 . 1 1 55 55 VAL H H 55 8.190 8.190 8.546 -0.356 18156 2814 1 6 . 1 1 56 56 ASP N N 56 120.300 120.300 118.633 1.667 18156 2815 1 6 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.667 -0.097 18156 2816 1 6 . 1 1 56 56 ASP C C 56 177.000 177.000 176.752 0.248 18156 2817 1 6 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.000 0.300 18156 2818 1 6 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.896 -0.196 18156 2819 1 6 . 1 1 56 56 ASP H H 56 8.170 8.170 8.294 -0.124 18156 2820 1 6 . 1 1 57 57 GLY N N 57 108.300 108.300 108.493 -0.193 18156 2821 1 6 . 1 1 57 57 GLY C C 57 173.700 173.700 174.043 -0.343 18156 2822 1 6 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.230 0.570 18156 2823 1 6 . 1 1 57 57 GLY H H 57 8.110 8.110 7.714 0.396 18156 2824 1 6 . 1 1 58 58 GLN N N 58 118.900 118.900 118.150 0.750 18156 2825 1 6 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.922 0.578 18156 2826 1 6 . 1 1 58 58 GLN C C 58 175.700 175.700 174.293 1.407 18156 2827 1 6 . 1 1 58 58 GLN CA C 58 56.200 56.200 56.359 -0.159 18156 2828 1 6 . 1 1 58 58 GLN CB C 58 30.200 30.200 26.151 4.049 18156 2829 1 6 . 1 1 58 58 GLN H H 58 8.070 8.070 7.992 0.078 18156 2830 1 6 . 1 1 59 59 TYR N N 59 118.800 118.800 117.402 1.398 18156 2831 1 6 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.768 0.362 18156 2832 1 6 . 1 1 59 59 TYR C C 59 177.500 177.500 176.598 0.902 18156 2833 1 6 . 1 1 59 59 TYR CA C 59 56.700 56.700 59.098 -2.398 18156 2834 1 6 . 1 1 59 59 TYR CB C 59 39.300 39.300 38.288 1.012 18156 2835 1 6 . 1 1 59 59 TYR H H 59 8.110 8.110 8.010 0.100 18156 2836 1 6 . 1 1 60 60 VAL N N 60 115.600 115.600 116.998 -1.398 18156 2837 1 6 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.332 0.168 18156 2838 1 6 . 1 1 60 60 VAL C C 60 174.700 174.700 175.225 -0.525 18156 2839 1 6 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.796 0.204 18156 2840 1 6 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.915 0.085 18156 2841 1 6 . 1 1 60 60 VAL H H 60 8.250 8.250 8.236 0.014 18156 2842 1 6 . 1 1 61 61 TRP N N 61 120.800 120.800 119.555 1.245 18156 2843 1 6 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.551 0.369 18156 2844 1 6 . 1 1 61 61 TRP C C 61 172.700 172.700 173.734 -1.034 18156 2845 1 6 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.280 -0.280 18156 2846 1 6 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.783 0.117 18156 2847 1 6 . 1 1 61 61 TRP H H 61 8.500 8.500 8.481 0.019 18156 2848 1 6 . 1 1 62 62 PHE N N 62 112.100 112.100 115.401 -3.301 18156 2849 1 6 . 1 1 62 62 PHE HA H 62 5.040 5.040 5.082 -0.042 18156 2850 1 6 . 1 1 62 62 PHE C C 62 174.800 174.800 174.084 0.716 18156 2851 1 6 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.031 -0.631 18156 2852 1 6 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.407 0.493 18156 2853 1 6 . 1 1 62 62 PHE H H 62 8.700 8.700 8.641 0.059 18156 2854 1 6 . 1 1 63 63 ASN N N 63 120.800 120.800 121.222 -0.422 18156 2855 1 6 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.158 0.002 18156 2856 1 6 . 1 1 63 63 ASN C C 63 175.800 175.800 175.258 0.542 18156 2857 1 6 . 1 1 63 63 ASN CA C 63 54.100 54.100 54.241 -0.141 18156 2858 1 6 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.604 0.996 18156 2859 1 6 . 1 1 63 63 ASN H H 63 9.340 9.340 8.898 0.442 18156 2860 1 6 . 1 1 64 64 ILE N N 64 113.400 113.400 119.988 -6.588 18156 2861 1 6 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.698 -0.048 18156 2862 1 6 . 1 1 64 64 ILE C C 64 175.300 175.300 175.875 -0.575 18156 2863 1 6 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.918 0.182 18156 2864 1 6 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.074 2.026 18156 2865 1 6 . 1 1 64 64 ILE H H 64 7.820 7.820 8.046 -0.226 18156 2866 1 6 . 1 1 65 65 GLY N N 65 110.700 110.700 111.437 -0.737 18156 2867 1 6 . 1 1 65 65 GLY C C 65 174.300 174.300 174.922 -0.622 18156 2868 1 6 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.919 -0.119 18156 2869 1 6 . 1 1 65 65 GLY H H 65 8.570 8.570 8.751 -0.181 18156 2870 1 6 . 1 1 66 66 SER N N 66 113.800 113.800 115.072 -1.272 18156 2871 1 6 . 1 1 66 66 SER HA H 66 4.730 4.730 4.625 0.105 18156 2872 1 6 . 1 1 66 66 SER C C 66 175.500 175.500 175.353 0.147 18156 2873 1 6 . 1 1 66 66 SER CA C 66 56.800 56.800 56.430 0.370 18156 2874 1 6 . 1 1 66 66 SER CB C 66 64.500 64.500 64.619 -0.119 18156 2875 1 6 . 1 1 66 66 SER H H 66 7.680 7.680 7.720 -0.040 18156 2876 1 6 . 1 1 67 67 VAL N N 67 127.000 127.000 127.319 -0.319 18156 2877 1 6 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.897 -0.077 18156 2878 1 6 . 1 1 67 67 VAL C C 67 176.700 176.700 177.322 -0.622 18156 2879 1 6 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.122 1.478 18156 2880 1 6 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.845 -0.145 18156 2881 1 6 . 1 1 67 67 VAL H H 67 9.150 9.150 8.902 0.248 18156 2882 1 6 . 1 1 68 68 ASP N N 68 118.800 118.800 118.672 0.128 18156 2883 1 6 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.351 0.099 18156 2884 1 6 . 1 1 68 68 ASP C C 68 178.700 178.700 178.332 0.368 18156 2885 1 6 . 1 1 68 68 ASP CA C 68 57.300 57.300 58.062 -0.762 18156 2886 1 6 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.295 0.405 18156 2887 1 6 . 1 1 68 68 ASP H H 68 8.320 8.320 8.009 0.311 18156 2888 1 6 . 1 1 69 69 THR N N 69 114.500 114.500 116.533 -2.033 18156 2889 1 6 . 1 1 69 69 THR HA H 69 3.910 3.910 4.011 -0.101 18156 2890 1 6 . 1 1 69 69 THR C C 69 175.500 175.500 176.126 -0.626 18156 2891 1 6 . 1 1 69 69 THR CA C 69 65.600 65.600 66.172 -0.572 18156 2892 1 6 . 1 1 69 69 THR CB C 69 68.900 68.900 68.770 0.130 18156 2893 1 6 . 1 1 69 69 THR H H 69 7.710 7.710 7.476 0.234 18156 2894 1 6 . 1 1 70 70 PHE N N 70 122.800 122.800 122.598 0.202 18156 2895 1 6 . 1 1 70 70 PHE HA H 70 4.320 4.320 4.071 0.249 18156 2896 1 6 . 1 1 70 70 PHE C C 70 176.000 176.000 177.124 -1.124 18156 2897 1 6 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.495 -0.994 18156 2898 1 6 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.081 0.019 18156 2899 1 6 . 1 1 70 70 PHE H H 70 7.680 7.680 7.975 -0.295 18156 2900 1 6 . 1 1 71 71 GLU N N 71 118.400 118.400 118.783 -0.383 18156 2901 1 6 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.783 -0.413 18156 2902 1 6 . 1 1 71 71 GLU C C 71 179.900 179.900 179.405 0.495 18156 2903 1 6 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.646 0.554 18156 2904 1 6 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.111 0.089 18156 2905 1 6 . 1 1 71 71 GLU H H 71 8.660 8.660 8.293 0.367 18156 2906 1 6 . 1 1 72 72 ARG N N 72 119.500 119.500 119.250 0.250 18156 2907 1 6 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.035 0.125 18156 2908 1 6 . 1 1 72 72 ARG C C 72 179.200 179.200 178.921 0.279 18156 2909 1 6 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.376 -0.276 18156 2910 1 6 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.098 0.002 18156 2911 1 6 . 1 1 72 72 ARG H H 72 7.960 7.960 8.024 -0.064 18156 2912 1 6 . 1 1 73 73 ASN N N 73 119.900 119.900 118.956 0.944 18156 2913 1 6 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.518 -0.008 18156 2914 1 6 . 1 1 73 73 ASN C C 73 178.100 178.100 177.755 0.345 18156 2915 1 6 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.944 -0.444 18156 2916 1 6 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.873 -0.473 18156 2917 1 6 . 1 1 73 73 ASN H H 73 8.610 8.610 8.209 0.401 18156 2918 1 6 . 1 1 74 74 LEU N N 74 121.900 121.900 121.631 0.269 18156 2919 1 6 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.274 -0.024 18156 2920 1 6 . 1 1 74 74 LEU C C 74 179.100 179.100 178.387 0.713 18156 2921 1 6 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.007 0.293 18156 2922 1 6 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.663 0.137 18156 2923 1 6 . 1 1 74 74 LEU H H 74 8.720 8.720 8.174 0.546 18156 2924 1 6 . 1 1 75 75 GLU N N 75 120.700 120.700 119.596 1.104 18156 2925 1 6 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.984 0.126 18156 2926 1 6 . 1 1 75 75 GLU C C 75 178.900 178.900 179.301 -0.401 18156 2927 1 6 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.585 0.315 18156 2928 1 6 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.105 0.195 18156 2929 1 6 . 1 1 75 75 GLU H H 75 8.070 8.070 8.277 -0.207 18156 2930 1 6 . 1 1 76 76 THR N N 76 115.700 115.700 117.129 -1.429 18156 2931 1 6 . 1 1 76 76 THR HA H 76 4.000 4.000 4.013 -0.013 18156 2932 1 6 . 1 1 76 76 THR C C 76 176.600 176.600 176.600 0.000 18156 2933 1 6 . 1 1 76 76 THR CA C 76 66.500 66.500 66.595 -0.095 18156 2934 1 6 . 1 1 76 76 THR CB C 76 69.000 69.000 68.955 0.045 18156 2935 1 6 . 1 1 76 76 THR H H 76 8.400 8.400 7.815 0.585 18156 2936 1 6 . 1 1 77 77 LEU N N 77 122.200 122.200 122.079 0.121 18156 2937 1 6 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.032 0.228 18156 2938 1 6 . 1 1 77 77 LEU C C 77 179.200 179.200 178.209 0.991 18156 2939 1 6 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.305 -1.005 18156 2940 1 6 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.850 0.050 18156 2941 1 6 . 1 1 77 77 LEU H H 77 8.330 8.330 8.257 0.073 18156 2942 1 6 . 1 1 78 78 GLN N N 78 115.700 115.700 116.981 -1.281 18156 2943 1 6 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.855 0.025 18156 2944 1 6 . 1 1 78 78 GLN C C 78 177.600 177.600 178.386 -0.786 18156 2945 1 6 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.119 2.181 18156 2946 1 6 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.635 0.765 18156 2947 1 6 . 1 1 78 78 GLN H H 78 8.200 8.200 8.026 0.174 18156 2948 1 6 . 1 1 79 79 GLN N N 79 118.400 118.400 117.716 0.684 18156 2949 1 6 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.030 0.110 18156 2950 1 6 . 1 1 79 79 GLN C C 79 180.000 180.000 178.571 1.429 18156 2951 1 6 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.562 0.638 18156 2952 1 6 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.249 -0.049 18156 2953 1 6 . 1 1 79 79 GLN H H 79 7.980 7.980 7.702 0.278 18156 2954 1 6 . 1 1 80 80 GLU N N 80 121.700 121.700 120.261 1.439 18156 2955 1 6 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.143 -0.093 18156 2956 1 6 . 1 1 80 80 GLU C C 80 178.800 178.800 178.584 0.216 18156 2957 1 6 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.286 1.014 18156 2958 1 6 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.398 0.202 18156 2959 1 6 . 1 1 80 80 GLU H H 80 8.400 8.400 7.750 0.650 18156 2960 1 6 . 1 1 81 81 LEU N N 81 117.200 117.200 117.547 -0.347 18156 2961 1 6 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.248 0.052 18156 2962 1 6 . 1 1 81 81 LEU C C 81 177.400 177.400 178.117 -0.717 18156 2963 1 6 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.582 -0.482 18156 2964 1 6 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.206 0.594 18156 2965 1 6 . 1 1 81 81 LEU H H 81 8.120 8.120 8.079 0.041 18156 2966 1 6 . 1 1 82 82 GLY N N 82 108.900 108.900 106.480 2.420 18156 2967 1 6 . 1 1 82 82 GLY C C 82 174.600 174.600 174.760 -0.160 18156 2968 1 6 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.462 0.838 18156 2969 1 6 . 1 1 82 82 GLY H H 82 7.840 7.840 7.611 0.229 18156 2970 1 6 . 1 1 83 83 ILE N N 83 121.900 121.900 125.327 -3.427 18156 2971 1 6 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.915 0.085 18156 2972 1 6 . 1 1 83 83 ILE C C 83 175.300 175.300 174.798 0.502 18156 2973 1 6 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.641 -1.141 18156 2974 1 6 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.964 0.836 18156 2975 1 6 . 1 1 83 83 ILE H H 83 8.250 8.250 7.678 0.572 18156 2976 1 6 . 1 1 84 84 GLU N N 84 126.600 126.600 124.910 1.690 18156 2977 1 6 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.490 0.010 18156 2978 1 6 . 1 1 84 84 GLU C C 84 177.400 177.400 176.141 1.259 18156 2979 1 6 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.957 0.343 18156 2980 1 6 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.493 0.107 18156 2981 1 6 . 1 1 84 84 GLU H H 84 8.760 8.760 8.051 0.709 18156 2982 1 6 . 1 1 85 85 GLY N N 85 109.400 109.400 111.428 -2.028 18156 2983 1 6 . 1 1 85 85 GLY C C 85 176.600 176.600 175.816 0.784 18156 2984 1 6 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.496 0.904 18156 2985 1 6 . 1 1 85 85 GLY H H 85 8.870 8.870 8.665 0.205 18156 2986 1 6 . 1 1 86 86 GLU N N 86 123.900 123.900 124.653 -0.753 18156 2987 1 6 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.189 0.061 18156 2988 1 6 . 1 1 86 86 GLU C C 86 176.200 176.200 177.077 -0.877 18156 2989 1 6 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.955 -0.155 18156 2990 1 6 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.335 -0.235 18156 2991 1 6 . 1 1 86 86 GLU H H 86 9.240 9.240 8.869 0.371 18156 2992 1 6 . 1 1 87 87 ASN N N 87 115.900 115.900 116.321 -0.421 18156 2993 1 6 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.772 0.058 18156 2994 1 6 . 1 1 87 87 ASN C C 87 174.600 174.600 175.365 -0.765 18156 2995 1 6 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.560 -0.360 18156 2996 1 6 . 1 1 87 87 ASN CB C 87 39.400 39.400 38.582 0.818 18156 2997 1 6 . 1 1 87 87 ASN H H 87 8.050 8.050 7.722 0.328 18156 2998 1 6 . 1 1 88 88 ARG N N 88 119.300 119.300 119.024 0.276 18156 2999 1 6 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.287 -0.237 18156 3000 1 6 . 1 1 88 88 ARG C C 88 176.600 176.600 176.332 0.268 18156 3001 1 6 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.421 0.179 18156 3002 1 6 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.921 -0.321 18156 3003 1 6 . 1 1 88 88 ARG H H 88 7.230 7.230 7.381 -0.151 18156 3004 1 6 . 1 1 89 89 VAL N N 89 124.700 124.700 124.891 -0.191 18156 3005 1 6 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.261 0.029 18156 3006 1 6 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.475 -0.475 18156 3007 1 6 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.843 1.257 18156 3008 1 6 . 1 1 89 89 VAL H H 89 8.780 8.780 8.449 0.331 18156 3009 1 6 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.471 0.039 18156 3010 1 6 . 1 1 90 90 PRO C C 90 175.100 175.100 175.322 -0.222 18156 3011 1 6 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.010 0.090 18156 3012 1 6 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.409 0.191 18156 3013 1 6 . 1 1 91 91 VAL N N 91 121.600 121.600 123.991 -2.391 18156 3014 1 6 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.989 -0.179 18156 3015 1 6 . 1 1 91 91 VAL C C 91 176.100 176.100 176.073 0.027 18156 3016 1 6 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.464 -0.164 18156 3017 1 6 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.219 0.981 18156 3018 1 6 . 1 1 91 91 VAL H H 91 8.030 8.030 8.333 -0.303 18156 3019 1 6 . 1 1 92 92 VAL N N 92 124.800 124.800 128.298 -3.498 18156 3020 1 6 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.335 0.204 18156 3021 1 6 . 1 1 92 92 VAL C C 92 173.600 173.600 174.570 -0.970 18156 3022 1 6 . 1 1 92 92 VAL CA C 92 59.700 59.700 60.979 -1.279 18156 3023 1 6 . 1 1 92 92 VAL CB C 92 34.900 34.900 34.691 0.209 18156 3024 1 6 . 1 1 92 92 VAL H H 92 8.640 8.640 8.572 0.068 18156 3025 1 6 . 1 1 93 93 TYR N N 93 124.700 124.700 126.819 -2.119 18156 3026 1 6 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.776 0.154 18156 3027 1 6 . 1 1 93 93 TYR C C 93 175.700 175.700 176.050 -0.350 18156 3028 1 6 . 1 1 93 93 TYR CA C 93 57.400 57.400 57.910 -0.510 18156 3029 1 6 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.463 0.037 18156 3030 1 6 . 1 1 93 93 TYR H H 93 8.800 8.800 8.592 0.208 18156 3031 1 6 . 1 1 94 94 ILE N N 94 123.100 123.100 126.425 -3.325 18156 3032 1 6 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.298 0.212 18156 3033 1 6 . 1 1 94 94 ILE C C 94 173.700 173.700 174.742 -1.042 18156 3034 1 6 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.269 -0.069 18156 3035 1 6 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.610 1.890 18156 3036 1 6 . 1 1 94 94 ILE H H 94 9.000 9.000 8.139 0.861 18156 3037 1 6 . 1 1 95 95 ALA N N 95 128.000 128.000 129.965 -1.965 18156 3038 1 6 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.701 0.289 18156 3039 1 6 . 1 1 95 95 ALA C C 95 177.000 177.000 177.138 -0.138 18156 3040 1 6 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.299 0.201 18156 3041 1 6 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.120 1.280 18156 3042 1 6 . 1 1 95 95 ALA H H 95 8.450 8.450 8.518 -0.068 18156 3043 1 6 . 1 1 96 96 GLU N N 96 122.200 122.200 125.051 -2.851 18156 3044 1 6 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.112 0.408 18156 3045 1 6 . 1 1 96 96 GLU C C 96 176.000 176.000 175.586 0.414 18156 3046 1 6 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.496 -0.996 18156 3047 1 6 . 1 1 96 96 GLU CB C 96 32.800 32.800 29.359 3.441 18156 3048 1 6 . 1 1 96 96 GLU H H 96 8.850 8.850 8.315 0.535 18156 3049 1 6 . 1 1 97 97 SER N N 97 118.600 118.600 120.306 -1.706 18156 3050 1 6 . 1 1 97 97 SER HA H 97 4.430 4.430 4.704 -0.274 18156 3051 1 6 . 1 1 97 97 SER C C 97 174.200 174.200 174.023 0.177 18156 3052 1 6 . 1 1 97 97 SER CA C 97 58.500 58.500 57.541 0.959 18156 3053 1 6 . 1 1 97 97 SER CB C 97 63.800 63.800 64.394 -0.594 18156 3054 1 6 . 1 1 97 97 SER H H 97 8.650 8.650 8.311 0.339 18156 3055 1 6 . 1 1 98 98 ASP N N 98 123.200 123.200 123.692 -0.492 18156 3056 1 6 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.450 0.220 18156 3057 1 6 . 1 1 98 98 ASP C C 98 175.500 175.500 176.769 -1.269 18156 3058 1 6 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.712 -1.312 18156 3059 1 6 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.538 -0.138 18156 3060 1 6 . 1 1 98 98 ASP H H 98 8.500 8.500 8.225 0.275 18156 3061 1 7 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.100 -1.600 18156 3062 1 7 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.737 -0.147 18156 3063 1 7 . 1 1 10 10 HIS C C 10 175.500 175.500 174.941 0.559 18156 3064 1 7 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.079 1.421 18156 3065 1 7 . 1 1 10 10 HIS CB C 10 30.200 30.200 28.992 1.208 18156 3066 1 7 . 1 1 11 11 MET N N 11 120.900 120.900 121.967 -1.067 18156 3067 1 7 . 1 1 11 11 MET HA H 11 4.290 4.290 4.149 0.141 18156 3068 1 7 . 1 1 11 11 MET C C 11 176.300 176.300 176.006 0.294 18156 3069 1 7 . 1 1 11 11 MET CA C 11 55.900 55.900 56.227 -0.327 18156 3070 1 7 . 1 1 11 11 MET CB C 11 32.700 32.700 31.378 1.322 18156 3071 1 7 . 1 1 11 11 MET H H 11 8.210 8.210 8.336 -0.126 18156 3072 1 7 . 1 1 12 12 LYS N N 12 122.100 122.100 123.672 -1.572 18156 3073 1 7 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.484 -0.354 18156 3074 1 7 . 1 1 12 12 LYS C C 12 176.700 176.700 175.624 1.076 18156 3075 1 7 . 1 1 12 12 LYS CA C 12 56.800 56.800 55.456 1.344 18156 3076 1 7 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.607 -0.807 18156 3077 1 7 . 1 1 12 12 LYS H H 12 8.300 8.300 8.107 0.193 18156 3078 1 7 . 1 1 13 13 ARG N N 13 121.500 121.500 127.477 -5.977 18156 3079 1 7 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.354 -0.084 18156 3080 1 7 . 1 1 13 13 ARG C C 13 176.200 176.200 175.847 0.353 18156 3081 1 7 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.712 0.488 18156 3082 1 7 . 1 1 13 13 ARG CB C 13 30.800 30.800 29.968 0.832 18156 3083 1 7 . 1 1 13 13 ARG H H 13 8.160 8.160 8.796 -0.636 18156 3084 1 7 . 1 1 14 14 SER N N 14 116.700 116.700 121.752 -5.052 18156 3085 1 7 . 1 1 14 14 SER HA H 14 4.530 4.530 4.389 0.141 18156 3086 1 7 . 1 1 14 14 SER C C 14 173.600 173.600 174.831 -1.231 18156 3087 1 7 . 1 1 14 14 SER CA C 14 58.300 58.300 58.227 0.073 18156 3088 1 7 . 1 1 14 14 SER CB C 14 64.100 64.100 62.618 1.482 18156 3089 1 7 . 1 1 14 14 SER H H 14 8.160 8.160 8.235 -0.075 18156 3090 1 7 . 1 1 15 15 GLY N N 15 109.300 109.300 113.699 -4.399 18156 3091 1 7 . 1 1 15 15 GLY C C 15 173.000 173.000 174.307 -1.307 18156 3092 1 7 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.917 -1.217 18156 3093 1 7 . 1 1 15 15 GLY H H 15 8.100 8.100 8.372 -0.272 18156 3094 1 7 . 1 1 16 16 ARG N N 16 122.300 122.300 121.483 0.817 18156 3095 1 7 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.741 -0.211 18156 3096 1 7 . 1 1 16 16 ARG C C 16 173.200 173.200 174.301 -1.101 18156 3097 1 7 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.644 0.656 18156 3098 1 7 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.998 0.902 18156 3099 1 7 . 1 1 16 16 ARG H H 16 8.460 8.460 8.178 0.282 18156 3100 1 7 . 1 1 17 17 GLU N N 17 126.800 126.800 126.200 0.600 18156 3101 1 7 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.116 -0.896 18156 3102 1 7 . 1 1 17 17 GLU C C 17 177.000 177.000 176.168 0.832 18156 3103 1 7 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.087 -0.087 18156 3104 1 7 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.931 0.169 18156 3105 1 7 . 1 1 17 17 GLU H H 17 8.190 8.190 8.477 -0.287 18156 3106 1 7 . 1 1 18 18 ILE N N 18 122.600 122.600 123.065 -0.465 18156 3107 1 7 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.706 0.254 18156 3108 1 7 . 1 1 18 18 ILE C C 18 174.600 174.600 175.211 -0.611 18156 3109 1 7 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.947 0.253 18156 3110 1 7 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.116 1.784 18156 3111 1 7 . 1 1 18 18 ILE H H 18 8.870 8.870 8.682 0.188 18156 3112 1 7 . 1 1 19 19 THR N N 19 108.700 108.700 110.140 -1.440 18156 3113 1 7 . 1 1 19 19 THR HA H 19 4.760 4.760 4.558 0.202 18156 3114 1 7 . 1 1 19 19 THR C C 19 175.400 175.400 175.762 -0.362 18156 3115 1 7 . 1 1 19 19 THR CA C 19 59.800 59.800 60.700 -0.900 18156 3116 1 7 . 1 1 19 19 THR CB C 19 72.100 72.100 71.190 0.910 18156 3117 1 7 . 1 1 19 19 THR H H 19 8.140 8.140 8.114 0.026 18156 3118 1 7 . 1 1 20 20 TRP N N 20 121.900 121.900 125.921 -4.021 18156 3119 1 7 . 1 1 20 20 TRP HA H 20 3.900 3.900 4.024 -0.124 18156 3120 1 7 . 1 1 20 20 TRP C C 20 176.600 176.600 177.302 -0.702 18156 3121 1 7 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.982 -0.982 18156 3122 1 7 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.549 -0.249 18156 3123 1 7 . 1 1 20 20 TRP H H 20 9.060 9.060 8.736 0.324 18156 3124 1 7 . 1 1 21 21 LYS N N 21 116.900 116.900 118.842 -1.942 18156 3125 1 7 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.824 -0.164 18156 3126 1 7 . 1 1 21 21 LYS C C 21 178.200 178.200 178.108 0.092 18156 3127 1 7 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.906 -0.206 18156 3128 1 7 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.782 0.418 18156 3129 1 7 . 1 1 21 21 LYS H H 21 8.320 8.320 8.185 0.135 18156 3130 1 7 . 1 1 22 22 ASP N N 22 119.000 119.000 118.772 0.228 18156 3131 1 7 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.367 -0.097 18156 3132 1 7 . 1 1 22 22 ASP C C 22 178.500 178.500 178.484 0.016 18156 3133 1 7 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.151 -0.152 18156 3134 1 7 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.885 0.415 18156 3135 1 7 . 1 1 22 22 ASP H H 22 7.670 7.670 7.699 -0.029 18156 3136 1 7 . 1 1 23 23 PHE N N 23 120.000 120.000 121.353 -1.353 18156 3137 1 7 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.436 -0.186 18156 3138 1 7 . 1 1 23 23 PHE C C 23 177.500 177.500 176.774 0.726 18156 3139 1 7 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.857 -0.057 18156 3140 1 7 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.824 -1.224 18156 3141 1 7 . 1 1 23 23 PHE H H 23 8.430 8.430 8.059 0.371 18156 3142 1 7 . 1 1 24 24 VAL N N 24 120.700 120.700 118.824 1.876 18156 3143 1 7 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.936 -0.206 18156 3144 1 7 . 1 1 24 24 VAL C C 24 178.200 178.200 178.044 0.156 18156 3145 1 7 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.375 0.525 18156 3146 1 7 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.692 1.408 18156 3147 1 7 . 1 1 24 24 VAL H H 24 8.250 8.250 7.814 0.436 18156 3148 1 7 . 1 1 25 25 ASN N N 25 116.700 116.700 115.468 1.232 18156 3149 1 7 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.343 -0.143 18156 3150 1 7 . 1 1 25 25 ASN C C 25 176.200 176.200 176.086 0.114 18156 3151 1 7 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.615 0.385 18156 3152 1 7 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.443 0.258 18156 3153 1 7 . 1 1 25 25 ASN H H 25 8.260 8.260 7.777 0.483 18156 3154 1 7 . 1 1 26 26 ASN N N 26 112.300 112.300 115.656 -3.356 18156 3155 1 7 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.477 0.123 18156 3156 1 7 . 1 1 26 26 ASN C C 26 174.500 174.500 175.313 -0.813 18156 3157 1 7 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.319 -0.719 18156 3158 1 7 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.360 -0.560 18156 3159 1 7 . 1 1 26 26 ASN H H 26 8.490 8.490 7.700 0.790 18156 3160 1 7 . 1 1 27 27 TYR N N 27 113.700 113.700 117.181 -3.481 18156 3161 1 7 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.660 0.170 18156 3162 1 7 . 1 1 27 27 TYR C C 27 176.500 176.500 176.993 -0.493 18156 3163 1 7 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.894 -1.694 18156 3164 1 7 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.564 -0.264 18156 3165 1 7 . 1 1 27 27 TYR H H 27 7.000 7.000 7.350 -0.350 18156 3166 1 7 . 1 1 28 28 LEU N N 28 122.700 122.700 120.865 1.835 18156 3167 1 7 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.843 -0.013 18156 3168 1 7 . 1 1 28 28 LEU C C 28 179.700 179.700 179.255 0.445 18156 3169 1 7 . 1 1 28 28 LEU CA C 28 58.300 58.300 58.230 0.070 18156 3170 1 7 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.940 -0.540 18156 3171 1 7 . 1 1 28 28 LEU H H 28 8.180 8.180 8.075 0.105 18156 3172 1 7 . 1 1 29 29 SER N N 29 109.300 109.300 115.611 -6.311 18156 3173 1 7 . 1 1 29 29 SER HA H 29 4.120 4.120 4.179 -0.059 18156 3174 1 7 . 1 1 29 29 SER C C 29 174.000 174.000 175.303 -1.303 18156 3175 1 7 . 1 1 29 29 SER CA C 29 60.300 60.300 60.953 -0.653 18156 3176 1 7 . 1 1 29 29 SER CB C 29 63.100 63.100 63.016 0.084 18156 3177 1 7 . 1 1 29 29 SER H H 29 7.940 7.940 8.154 -0.214 18156 3178 1 7 . 1 1 30 30 LYS N N 30 117.200 117.200 118.821 -1.621 18156 3179 1 7 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.477 -0.017 18156 3180 1 7 . 1 1 30 30 LYS C C 30 177.200 177.200 176.764 0.436 18156 3181 1 7 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.889 -0.089 18156 3182 1 7 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.501 0.499 18156 3183 1 7 . 1 1 30 30 LYS H H 30 6.680 6.680 7.140 -0.460 18156 3184 1 7 . 1 1 31 31 GLY N N 31 107.100 107.100 107.761 -0.661 18156 3185 1 7 . 1 1 31 31 GLY C C 31 175.700 175.700 174.860 0.840 18156 3186 1 7 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.361 1.039 18156 3187 1 7 . 1 1 31 31 GLY H H 31 7.660 7.660 7.901 -0.241 18156 3188 1 7 . 1 1 32 32 VAL N N 32 107.300 107.300 112.964 -5.664 18156 3189 1 7 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.390 0.240 18156 3190 1 7 . 1 1 32 32 VAL C C 32 174.800 174.800 175.604 -0.804 18156 3191 1 7 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.892 -1.092 18156 3192 1 7 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.174 -0.074 18156 3193 1 7 . 1 1 32 32 VAL H H 32 6.910 6.910 7.431 -0.521 18156 3194 1 7 . 1 1 33 33 VAL N N 33 122.000 122.000 120.336 1.664 18156 3195 1 7 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.384 -0.384 18156 3196 1 7 . 1 1 33 33 VAL C C 33 174.500 174.500 175.180 -0.680 18156 3197 1 7 . 1 1 33 33 VAL CA C 33 63.300 63.300 62.084 1.216 18156 3198 1 7 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.818 -0.718 18156 3199 1 7 . 1 1 33 33 VAL H H 33 8.180 8.180 7.462 0.718 18156 3200 1 7 . 1 1 34 34 ASP N N 34 128.200 128.200 126.837 1.363 18156 3201 1 7 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.653 0.107 18156 3202 1 7 . 1 1 34 34 ASP C C 34 175.400 175.400 175.633 -0.233 18156 3203 1 7 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.468 -1.168 18156 3204 1 7 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.881 0.719 18156 3205 1 7 . 1 1 34 34 ASP H H 34 9.150 9.150 9.000 0.150 18156 3206 1 7 . 1 1 35 35 ARG N N 35 112.200 112.200 113.859 -1.659 18156 3207 1 7 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.750 -0.130 18156 3208 1 7 . 1 1 35 35 ARG C C 35 172.900 172.900 173.904 -1.004 18156 3209 1 7 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.844 0.455 18156 3210 1 7 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.420 -0.320 18156 3211 1 7 . 1 1 35 35 ARG H H 35 7.440 7.440 7.517 -0.077 18156 3212 1 7 . 1 1 36 36 LEU N N 36 120.400 120.400 122.513 -2.113 18156 3213 1 7 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.067 -0.047 18156 3214 1 7 . 1 1 36 36 LEU C C 36 174.800 174.800 175.642 -0.842 18156 3215 1 7 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.650 -0.650 18156 3216 1 7 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.483 0.417 18156 3217 1 7 . 1 1 36 36 LEU H H 36 8.410 8.410 8.884 -0.474 18156 3218 1 7 . 1 1 37 37 GLU N N 37 120.800 120.800 125.295 -4.495 18156 3219 1 7 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.483 0.447 18156 3220 1 7 . 1 1 37 37 GLU C C 37 174.400 174.400 175.652 -1.252 18156 3221 1 7 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.365 -2.065 18156 3222 1 7 . 1 1 37 37 GLU CB C 37 31.700 31.700 29.870 1.830 18156 3223 1 7 . 1 1 37 37 GLU H H 37 8.470 8.470 8.546 -0.076 18156 3224 1 7 . 1 1 38 38 VAL N N 38 125.600 125.600 127.370 -1.770 18156 3225 1 7 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.834 0.176 18156 3226 1 7 . 1 1 38 38 VAL C C 38 175.500 175.500 175.035 0.465 18156 3227 1 7 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.132 0.268 18156 3228 1 7 . 1 1 38 38 VAL CB C 38 30.800 30.800 29.949 0.851 18156 3229 1 7 . 1 1 38 38 VAL H H 38 9.130 9.130 8.326 0.804 18156 3230 1 7 . 1 1 39 39 VAL N N 39 131.700 131.700 127.997 3.703 18156 3231 1 7 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.876 0.304 18156 3232 1 7 . 1 1 39 39 VAL C C 39 175.600 175.600 176.175 -0.575 18156 3233 1 7 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.338 0.362 18156 3234 1 7 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.285 0.515 18156 3235 1 7 . 1 1 39 39 VAL H H 39 9.040 9.040 7.552 1.488 18156 3236 1 7 . 1 1 40 40 ASN N N 40 125.000 125.000 124.829 0.171 18156 3237 1 7 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.221 0.239 18156 3238 1 7 . 1 1 40 40 ASN C C 40 173.300 173.300 174.492 -1.192 18156 3239 1 7 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.290 -0.190 18156 3240 1 7 . 1 1 40 40 ASN CB C 40 37.000 37.000 38.092 -1.092 18156 3241 1 7 . 1 1 40 40 ASN H H 40 9.060 9.060 9.022 0.038 18156 3242 1 7 . 1 1 41 41 LYS N N 41 109.900 109.900 111.635 -1.735 18156 3243 1 7 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.853 -0.613 18156 3244 1 7 . 1 1 41 41 LYS C C 41 175.000 175.000 175.421 -0.421 18156 3245 1 7 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.069 0.231 18156 3246 1 7 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.512 0.088 18156 3247 1 7 . 1 1 41 41 LYS H H 41 9.250 9.250 7.815 1.435 18156 3248 1 7 . 1 1 42 42 ARG N N 42 115.800 115.800 117.820 -2.020 18156 3249 1 7 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.472 0.238 18156 3250 1 7 . 1 1 42 42 ARG C C 42 174.900 174.900 175.123 -0.223 18156 3251 1 7 . 1 1 42 42 ARG CA C 42 57.200 57.200 57.469 -0.269 18156 3252 1 7 . 1 1 42 42 ARG CB C 42 34.200 34.200 33.006 1.194 18156 3253 1 7 . 1 1 42 42 ARG H H 42 8.110 8.110 7.514 0.596 18156 3254 1 7 . 1 1 43 43 PHE N N 43 115.100 115.100 113.616 1.484 18156 3255 1 7 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.068 0.092 18156 3256 1 7 . 1 1 43 43 PHE C C 43 171.200 171.200 172.571 -1.371 18156 3257 1 7 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.889 -0.189 18156 3258 1 7 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.838 -0.738 18156 3259 1 7 . 1 1 43 43 PHE H H 43 7.610 7.610 7.619 -0.009 18156 3260 1 7 . 1 1 44 44 VAL N N 44 121.200 121.200 118.967 2.233 18156 3261 1 7 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.928 0.662 18156 3262 1 7 . 1 1 44 44 VAL C C 44 174.600 174.600 174.421 0.179 18156 3263 1 7 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.450 -0.650 18156 3264 1 7 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.320 -0.420 18156 3265 1 7 . 1 1 44 44 VAL H H 44 9.030 9.030 8.530 0.500 18156 3266 1 7 . 1 1 45 45 ARG N N 45 125.000 125.000 127.618 -2.618 18156 3267 1 7 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.563 0.397 18156 3268 1 7 . 1 1 45 45 ARG C C 45 175.400 175.400 174.680 0.720 18156 3269 1 7 . 1 1 45 45 ARG CA C 45 55.000 55.000 53.528 1.472 18156 3270 1 7 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.790 1.410 18156 3271 1 7 . 1 1 45 45 ARG H H 45 9.320 9.320 8.353 0.967 18156 3272 1 7 . 1 1 46 46 VAL N N 46 127.200 127.200 128.964 -1.764 18156 3273 1 7 . 1 1 46 46 VAL HA H 46 4.110 4.110 3.970 0.140 18156 3274 1 7 . 1 1 46 46 VAL C C 46 174.700 174.700 174.744 -0.044 18156 3275 1 7 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.652 -0.452 18156 3276 1 7 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.233 1.867 18156 3277 1 7 . 1 1 46 46 VAL H H 46 8.770 8.770 8.461 0.309 18156 3278 1 7 . 1 1 47 47 THR N N 47 120.800 120.800 124.588 -3.788 18156 3279 1 7 . 1 1 47 47 THR HA H 47 4.700 4.700 4.580 0.120 18156 3280 1 7 . 1 1 47 47 THR C C 47 174.500 174.500 173.581 0.919 18156 3281 1 7 . 1 1 47 47 THR CA C 47 61.300 61.300 62.254 -0.954 18156 3282 1 7 . 1 1 47 47 THR CB C 47 69.800 69.800 69.524 0.276 18156 3283 1 7 . 1 1 47 47 THR H H 47 8.110 8.110 8.333 -0.223 18156 3284 1 7 . 1 1 48 48 PHE N N 48 125.700 125.700 126.104 -0.404 18156 3285 1 7 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.032 0.318 18156 3286 1 7 . 1 1 48 48 PHE C C 48 176.000 176.000 177.212 -1.212 18156 3287 1 7 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.791 0.509 18156 3288 1 7 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.124 1.276 18156 3289 1 7 . 1 1 48 48 PHE H H 48 9.000 9.000 9.057 -0.057 18156 3290 1 7 . 1 1 49 49 THR N N 49 118.900 118.900 116.521 2.379 18156 3291 1 7 . 1 1 49 49 THR HA H 49 4.330 4.330 4.472 -0.142 18156 3292 1 7 . 1 1 49 49 THR CA C 49 61.200 61.200 60.831 0.369 18156 3293 1 7 . 1 1 49 49 THR CB C 49 69.400 69.400 68.552 0.848 18156 3294 1 7 . 1 1 49 49 THR H H 49 8.620 8.620 8.638 -0.018 18156 3295 1 7 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.130 0.230 18156 3296 1 7 . 1 1 50 50 PRO C C 50 177.700 177.700 177.772 -0.072 18156 3297 1 7 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.319 0.181 18156 3298 1 7 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.958 0.842 18156 3299 1 7 . 1 1 51 51 GLY N N 51 111.300 111.300 113.268 -1.968 18156 3300 1 7 . 1 1 51 51 GLY C C 51 175.200 175.200 174.964 0.236 18156 3301 1 7 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.200 0.200 18156 3302 1 7 . 1 1 51 51 GLY H H 51 8.880 8.880 8.694 0.186 18156 3303 1 7 . 1 1 52 52 LYS N N 52 118.900 118.900 120.466 -1.566 18156 3304 1 7 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.522 0.048 18156 3305 1 7 . 1 1 52 52 LYS C C 52 175.800 175.800 175.192 0.608 18156 3306 1 7 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.489 -0.689 18156 3307 1 7 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.563 -0.964 18156 3308 1 7 . 1 1 52 52 LYS H H 52 8.110 8.110 7.991 0.119 18156 3309 1 7 . 1 1 53 53 THR N N 53 114.700 114.700 117.765 -3.065 18156 3310 1 7 . 1 1 53 53 THR HA H 53 4.180 4.180 4.256 -0.076 18156 3311 1 7 . 1 1 53 53 THR CA C 53 60.400 60.400 59.651 0.749 18156 3312 1 7 . 1 1 53 53 THR CB C 53 69.100 69.100 68.978 0.122 18156 3313 1 7 . 1 1 53 53 THR H H 53 7.700 7.700 7.591 0.109 18156 3314 1 7 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.393 0.017 18156 3315 1 7 . 1 1 54 54 PRO C C 54 177.500 177.500 176.929 0.571 18156 3316 1 7 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.228 0.972 18156 3317 1 7 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.636 -0.336 18156 3318 1 7 . 1 1 55 55 VAL N N 55 119.300 119.300 122.704 -3.404 18156 3319 1 7 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.735 0.265 18156 3320 1 7 . 1 1 55 55 VAL C C 55 176.000 176.000 176.066 -0.066 18156 3321 1 7 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.466 -1.166 18156 3322 1 7 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.996 0.404 18156 3323 1 7 . 1 1 55 55 VAL H H 55 8.190 8.190 8.524 -0.334 18156 3324 1 7 . 1 1 56 56 ASP N N 56 120.300 120.300 118.483 1.817 18156 3325 1 7 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.584 -0.014 18156 3326 1 7 . 1 1 56 56 ASP C C 56 177.000 177.000 178.598 -1.598 18156 3327 1 7 . 1 1 56 56 ASP CA C 56 54.300 54.300 56.314 -2.014 18156 3328 1 7 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.805 -0.105 18156 3329 1 7 . 1 1 56 56 ASP H H 56 8.170 8.170 8.530 -0.360 18156 3330 1 7 . 1 1 57 57 GLY N N 57 108.300 108.300 106.549 1.751 18156 3331 1 7 . 1 1 57 57 GLY C C 57 173.700 173.700 174.520 -0.820 18156 3332 1 7 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.483 0.317 18156 3333 1 7 . 1 1 57 57 GLY H H 57 8.110 8.110 8.066 0.044 18156 3334 1 7 . 1 1 58 58 GLN N N 58 118.900 118.900 117.012 1.888 18156 3335 1 7 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.783 0.717 18156 3336 1 7 . 1 1 58 58 GLN C C 58 175.700 175.700 174.340 1.360 18156 3337 1 7 . 1 1 58 58 GLN CA C 58 56.200 56.200 58.112 -1.913 18156 3338 1 7 . 1 1 58 58 GLN CB C 58 30.200 30.200 27.806 2.393 18156 3339 1 7 . 1 1 58 58 GLN H H 58 8.070 8.070 7.856 0.214 18156 3340 1 7 . 1 1 59 59 TYR N N 59 118.800 118.800 118.321 0.479 18156 3341 1 7 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.050 0.080 18156 3342 1 7 . 1 1 59 59 TYR C C 59 177.500 177.500 175.077 2.423 18156 3343 1 7 . 1 1 59 59 TYR CA C 59 56.700 56.700 56.832 -0.132 18156 3344 1 7 . 1 1 59 59 TYR CB C 59 39.300 39.300 41.277 -1.977 18156 3345 1 7 . 1 1 59 59 TYR H H 59 8.110 8.110 8.152 -0.043 18156 3346 1 7 . 1 1 60 60 VAL N N 60 115.600 115.600 118.223 -2.623 18156 3347 1 7 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.657 -0.157 18156 3348 1 7 . 1 1 60 60 VAL C C 60 174.700 174.700 175.108 -0.408 18156 3349 1 7 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.247 0.753 18156 3350 1 7 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.146 -0.146 18156 3351 1 7 . 1 1 60 60 VAL H H 60 8.250 8.250 8.427 -0.177 18156 3352 1 7 . 1 1 61 61 TRP N N 61 120.800 120.800 119.298 1.502 18156 3353 1 7 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.209 0.711 18156 3354 1 7 . 1 1 61 61 TRP C C 61 172.700 172.700 173.471 -0.771 18156 3355 1 7 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.659 -0.659 18156 3356 1 7 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.498 0.402 18156 3357 1 7 . 1 1 61 61 TRP H H 61 8.500 8.500 8.298 0.202 18156 3358 1 7 . 1 1 62 62 PHE N N 62 112.100 112.100 114.102 -2.002 18156 3359 1 7 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.818 0.222 18156 3360 1 7 . 1 1 62 62 PHE C C 62 174.800 174.800 173.248 1.552 18156 3361 1 7 . 1 1 62 62 PHE CA C 62 55.400 55.400 57.127 -1.727 18156 3362 1 7 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.146 0.754 18156 3363 1 7 . 1 1 62 62 PHE H H 62 8.700 8.700 8.699 0.001 18156 3364 1 7 . 1 1 63 63 ASN N N 63 120.800 120.800 119.539 1.261 18156 3365 1 7 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.942 0.218 18156 3366 1 7 . 1 1 63 63 ASN C C 63 175.800 175.800 175.254 0.546 18156 3367 1 7 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.655 1.445 18156 3368 1 7 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.586 1.014 18156 3369 1 7 . 1 1 63 63 ASN H H 63 9.340 9.340 8.551 0.789 18156 3370 1 7 . 1 1 64 64 ILE N N 64 113.400 113.400 118.189 -4.789 18156 3371 1 7 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.429 0.221 18156 3372 1 7 . 1 1 64 64 ILE C C 64 175.300 175.300 177.206 -1.906 18156 3373 1 7 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.634 -1.534 18156 3374 1 7 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.107 2.993 18156 3375 1 7 . 1 1 64 64 ILE H H 64 7.820 7.820 8.393 -0.573 18156 3376 1 7 . 1 1 65 65 GLY N N 65 110.700 110.700 109.741 0.959 18156 3377 1 7 . 1 1 65 65 GLY C C 65 174.300 174.300 174.791 -0.491 18156 3378 1 7 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.056 -0.256 18156 3379 1 7 . 1 1 65 65 GLY H H 65 8.570 8.570 8.151 0.419 18156 3380 1 7 . 1 1 66 66 SER N N 66 113.800 113.800 120.713 -6.913 18156 3381 1 7 . 1 1 66 66 SER HA H 66 4.730 4.730 4.450 0.280 18156 3382 1 7 . 1 1 66 66 SER C C 66 175.500 175.500 175.931 -0.431 18156 3383 1 7 . 1 1 66 66 SER CA C 66 56.800 56.800 56.978 -0.178 18156 3384 1 7 . 1 1 66 66 SER CB C 66 64.500 64.500 62.657 1.843 18156 3385 1 7 . 1 1 66 66 SER H H 66 7.680 7.680 8.033 -0.353 18156 3386 1 7 . 1 1 67 67 VAL N N 67 127.000 127.000 128.267 -1.267 18156 3387 1 7 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.798 0.022 18156 3388 1 7 . 1 1 67 67 VAL C C 67 176.700 176.700 177.530 -0.830 18156 3389 1 7 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.890 0.710 18156 3390 1 7 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.441 0.259 18156 3391 1 7 . 1 1 67 67 VAL H H 67 9.150 9.150 8.307 0.843 18156 3392 1 7 . 1 1 68 68 ASP N N 68 118.800 118.800 118.780 0.020 18156 3393 1 7 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.603 -0.153 18156 3394 1 7 . 1 1 68 68 ASP C C 68 178.700 178.700 178.854 -0.154 18156 3395 1 7 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.522 -0.222 18156 3396 1 7 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.249 0.451 18156 3397 1 7 . 1 1 68 68 ASP H H 68 8.320 8.320 8.663 -0.343 18156 3398 1 7 . 1 1 69 69 THR N N 69 114.500 114.500 116.546 -2.046 18156 3399 1 7 . 1 1 69 69 THR HA H 69 3.910 3.910 4.064 -0.154 18156 3400 1 7 . 1 1 69 69 THR C C 69 175.500 175.500 175.989 -0.489 18156 3401 1 7 . 1 1 69 69 THR CA C 69 65.600 65.600 66.180 -0.580 18156 3402 1 7 . 1 1 69 69 THR CB C 69 68.900 68.900 68.575 0.325 18156 3403 1 7 . 1 1 69 69 THR H H 69 7.710 7.710 7.504 0.206 18156 3404 1 7 . 1 1 70 70 PHE N N 70 122.800 122.800 122.547 0.253 18156 3405 1 7 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.822 0.498 18156 3406 1 7 . 1 1 70 70 PHE C C 70 176.000 176.000 176.928 -0.928 18156 3407 1 7 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.306 -0.806 18156 3408 1 7 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.885 0.215 18156 3409 1 7 . 1 1 70 70 PHE H H 70 7.680 7.680 7.865 -0.185 18156 3410 1 7 . 1 1 71 71 GLU N N 71 118.400 118.400 118.979 -0.579 18156 3411 1 7 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.602 -0.232 18156 3412 1 7 . 1 1 71 71 GLU C C 71 179.900 179.900 178.983 0.917 18156 3413 1 7 . 1 1 71 71 GLU CA C 71 60.200 60.200 60.016 0.184 18156 3414 1 7 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.427 -0.227 18156 3415 1 7 . 1 1 71 71 GLU H H 71 8.660 8.660 8.250 0.410 18156 3416 1 7 . 1 1 72 72 ARG N N 72 119.500 119.500 118.767 0.733 18156 3417 1 7 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.916 0.244 18156 3418 1 7 . 1 1 72 72 ARG C C 72 179.200 179.200 178.777 0.423 18156 3419 1 7 . 1 1 72 72 ARG CA C 72 59.100 59.100 60.164 -1.064 18156 3420 1 7 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.179 -0.079 18156 3421 1 7 . 1 1 72 72 ARG H H 72 7.960 7.960 8.220 -0.260 18156 3422 1 7 . 1 1 73 73 ASN N N 73 119.900 119.900 118.288 1.612 18156 3423 1 7 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.541 -0.031 18156 3424 1 7 . 1 1 73 73 ASN C C 73 178.100 178.100 177.917 0.183 18156 3425 1 7 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.820 -0.320 18156 3426 1 7 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.035 -0.635 18156 3427 1 7 . 1 1 73 73 ASN H H 73 8.610 8.610 8.027 0.583 18156 3428 1 7 . 1 1 74 74 LEU N N 74 121.900 121.900 122.296 -0.396 18156 3429 1 7 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.207 0.043 18156 3430 1 7 . 1 1 74 74 LEU C C 74 179.100 179.100 178.549 0.551 18156 3431 1 7 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.523 -0.223 18156 3432 1 7 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.701 0.099 18156 3433 1 7 . 1 1 74 74 LEU H H 74 8.720 8.720 8.345 0.375 18156 3434 1 7 . 1 1 75 75 GLU N N 75 120.700 120.700 118.346 2.354 18156 3435 1 7 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.013 0.097 18156 3436 1 7 . 1 1 75 75 GLU C C 75 178.900 178.900 179.437 -0.537 18156 3437 1 7 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.533 0.367 18156 3438 1 7 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.225 0.075 18156 3439 1 7 . 1 1 75 75 GLU H H 75 8.070 8.070 8.296 -0.226 18156 3440 1 7 . 1 1 76 76 THR N N 76 115.700 115.700 117.540 -1.840 18156 3441 1 7 . 1 1 76 76 THR HA H 76 4.000 4.000 3.993 0.007 18156 3442 1 7 . 1 1 76 76 THR C C 76 176.600 176.600 176.912 -0.312 18156 3443 1 7 . 1 1 76 76 THR CA C 76 66.500 66.500 66.256 0.244 18156 3444 1 7 . 1 1 76 76 THR CB C 76 69.000 69.000 68.870 0.130 18156 3445 1 7 . 1 1 76 76 THR H H 76 8.400 8.400 7.959 0.441 18156 3446 1 7 . 1 1 77 77 LEU N N 77 122.200 122.200 122.674 -0.474 18156 3447 1 7 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.028 0.232 18156 3448 1 7 . 1 1 77 77 LEU C C 77 179.200 179.200 178.117 1.083 18156 3449 1 7 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.355 -1.055 18156 3450 1 7 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.721 0.179 18156 3451 1 7 . 1 1 77 77 LEU H H 77 8.330 8.330 8.144 0.186 18156 3452 1 7 . 1 1 78 78 GLN N N 78 115.700 115.700 117.528 -1.828 18156 3453 1 7 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.883 -0.003 18156 3454 1 7 . 1 1 78 78 GLN C C 78 177.600 177.600 178.680 -1.080 18156 3455 1 7 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.188 2.112 18156 3456 1 7 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.679 0.721 18156 3457 1 7 . 1 1 78 78 GLN H H 78 8.200 8.200 8.185 0.015 18156 3458 1 7 . 1 1 79 79 GLN N N 79 118.400 118.400 117.915 0.485 18156 3459 1 7 . 1 1 79 79 GLN HA H 79 4.140 4.140 3.952 0.188 18156 3460 1 7 . 1 1 79 79 GLN C C 79 180.000 180.000 178.473 1.527 18156 3461 1 7 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.833 0.367 18156 3462 1 7 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.600 -0.400 18156 3463 1 7 . 1 1 79 79 GLN H H 79 7.980 7.980 8.207 -0.227 18156 3464 1 7 . 1 1 80 80 GLU N N 80 121.700 121.700 120.215 1.485 18156 3465 1 7 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.124 -0.074 18156 3466 1 7 . 1 1 80 80 GLU C C 80 178.800 178.800 178.209 0.591 18156 3467 1 7 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.741 0.559 18156 3468 1 7 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.745 -0.145 18156 3469 1 7 . 1 1 80 80 GLU H H 80 8.400 8.400 7.654 0.746 18156 3470 1 7 . 1 1 81 81 LEU N N 81 117.200 117.200 117.796 -0.596 18156 3471 1 7 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.418 -0.118 18156 3472 1 7 . 1 1 81 81 LEU C C 81 177.400 177.400 177.282 0.118 18156 3473 1 7 . 1 1 81 81 LEU CA C 81 55.100 55.100 54.792 0.308 18156 3474 1 7 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.278 0.522 18156 3475 1 7 . 1 1 81 81 LEU H H 81 8.120 8.120 7.831 0.289 18156 3476 1 7 . 1 1 82 82 GLY N N 82 108.900 108.900 107.601 1.299 18156 3477 1 7 . 1 1 82 82 GLY C C 82 174.600 174.600 174.827 -0.227 18156 3478 1 7 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.802 0.498 18156 3479 1 7 . 1 1 82 82 GLY H H 82 7.840 7.840 7.374 0.466 18156 3480 1 7 . 1 1 83 83 ILE N N 83 121.900 121.900 124.229 -2.329 18156 3481 1 7 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.956 0.044 18156 3482 1 7 . 1 1 83 83 ILE C C 83 175.300 175.300 174.559 0.741 18156 3483 1 7 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.620 -1.120 18156 3484 1 7 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.884 -0.084 18156 3485 1 7 . 1 1 83 83 ILE H H 83 8.250 8.250 7.691 0.559 18156 3486 1 7 . 1 1 84 84 GLU N N 84 126.600 126.600 124.927 1.673 18156 3487 1 7 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.510 -0.010 18156 3488 1 7 . 1 1 84 84 GLU C C 84 177.400 177.400 176.507 0.893 18156 3489 1 7 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.022 0.278 18156 3490 1 7 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.408 0.191 18156 3491 1 7 . 1 1 84 84 GLU H H 84 8.760 8.760 7.856 0.904 18156 3492 1 7 . 1 1 85 85 GLY N N 85 109.400 109.400 113.682 -4.282 18156 3493 1 7 . 1 1 85 85 GLY C C 85 176.600 176.600 175.214 1.386 18156 3494 1 7 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.342 0.058 18156 3495 1 7 . 1 1 85 85 GLY H H 85 8.870 8.870 8.724 0.146 18156 3496 1 7 . 1 1 86 86 GLU N N 86 123.900 123.900 124.259 -0.359 18156 3497 1 7 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.229 0.021 18156 3498 1 7 . 1 1 86 86 GLU C C 86 176.200 176.200 177.288 -1.088 18156 3499 1 7 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.453 -0.652 18156 3500 1 7 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.738 -0.638 18156 3501 1 7 . 1 1 86 86 GLU H H 86 9.240 9.240 8.328 0.912 18156 3502 1 7 . 1 1 87 87 ASN N N 87 115.900 115.900 115.801 0.099 18156 3503 1 7 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.800 0.030 18156 3504 1 7 . 1 1 87 87 ASN C C 87 174.600 174.600 174.580 0.020 18156 3505 1 7 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.554 -0.354 18156 3506 1 7 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.604 -0.204 18156 3507 1 7 . 1 1 87 87 ASN H H 87 8.050 8.050 7.977 0.073 18156 3508 1 7 . 1 1 88 88 ARG N N 88 119.300 119.300 121.548 -2.248 18156 3509 1 7 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.178 -0.128 18156 3510 1 7 . 1 1 88 88 ARG C C 88 176.600 176.600 176.399 0.201 18156 3511 1 7 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.413 0.187 18156 3512 1 7 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.752 -0.152 18156 3513 1 7 . 1 1 88 88 ARG H H 88 7.230 7.230 7.180 0.050 18156 3514 1 7 . 1 1 89 89 VAL N N 89 124.700 124.700 127.458 -2.758 18156 3515 1 7 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.197 0.093 18156 3516 1 7 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.974 -0.974 18156 3517 1 7 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.305 1.796 18156 3518 1 7 . 1 1 89 89 VAL H H 89 8.780 8.780 8.245 0.535 18156 3519 1 7 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.537 -0.027 18156 3520 1 7 . 1 1 90 90 PRO C C 90 175.100 175.100 175.539 -0.439 18156 3521 1 7 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.822 0.279 18156 3522 1 7 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.688 -0.088 18156 3523 1 7 . 1 1 91 91 VAL N N 91 121.600 121.600 122.683 -1.083 18156 3524 1 7 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.671 0.139 18156 3525 1 7 . 1 1 91 91 VAL C C 91 176.100 176.100 175.995 0.105 18156 3526 1 7 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.670 -0.370 18156 3527 1 7 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.920 1.280 18156 3528 1 7 . 1 1 91 91 VAL H H 91 8.030 8.030 8.304 -0.274 18156 3529 1 7 . 1 1 92 92 VAL N N 92 124.800 124.800 128.659 -3.859 18156 3530 1 7 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.357 0.183 18156 3531 1 7 . 1 1 92 92 VAL C C 92 173.600 173.600 174.904 -1.304 18156 3532 1 7 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.022 -1.322 18156 3533 1 7 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.709 2.191 18156 3534 1 7 . 1 1 92 92 VAL H H 92 8.640 8.640 8.625 0.015 18156 3535 1 7 . 1 1 93 93 TYR N N 93 124.700 124.700 128.006 -3.306 18156 3536 1 7 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.651 0.279 18156 3537 1 7 . 1 1 93 93 TYR C C 93 175.700 175.700 176.111 -0.411 18156 3538 1 7 . 1 1 93 93 TYR CA C 93 57.400 57.400 59.017 -1.617 18156 3539 1 7 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.787 0.713 18156 3540 1 7 . 1 1 93 93 TYR H H 93 8.800 8.800 8.675 0.125 18156 3541 1 7 . 1 1 94 94 ILE N N 94 123.100 123.100 123.272 -0.172 18156 3542 1 7 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.344 0.166 18156 3543 1 7 . 1 1 94 94 ILE C C 94 173.700 173.700 176.004 -2.304 18156 3544 1 7 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.049 -0.849 18156 3545 1 7 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.915 0.585 18156 3546 1 7 . 1 1 94 94 ILE H H 94 9.000 9.000 7.865 1.135 18156 3547 1 7 . 1 1 95 95 ALA N N 95 128.000 128.000 122.811 5.189 18156 3548 1 7 . 1 1 95 95 ALA HA H 95 4.990 4.990 3.860 1.130 18156 3549 1 7 . 1 1 95 95 ALA C C 95 177.000 177.000 176.586 0.414 18156 3550 1 7 . 1 1 95 95 ALA CA C 95 50.500 50.500 53.412 -2.912 18156 3551 1 7 . 1 1 95 95 ALA CB C 95 20.400 20.400 17.950 2.450 18156 3552 1 7 . 1 1 95 95 ALA H H 95 8.450 8.450 8.759 -0.309 18156 3553 1 7 . 1 1 96 96 GLU N N 96 122.200 122.200 116.636 5.564 18156 3554 1 7 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.466 0.054 18156 3555 1 7 . 1 1 96 96 GLU C C 96 176.000 176.000 175.479 0.521 18156 3556 1 7 . 1 1 96 96 GLU CA C 96 55.500 55.500 54.389 1.111 18156 3557 1 7 . 1 1 96 96 GLU CB C 96 32.800 32.800 31.350 1.450 18156 3558 1 7 . 1 1 96 96 GLU H H 96 8.850 8.850 8.088 0.762 18156 3559 1 7 . 1 1 97 97 SER N N 97 118.600 118.600 114.805 3.795 18156 3560 1 7 . 1 1 97 97 SER HA H 97 4.430 4.430 4.685 -0.255 18156 3561 1 7 . 1 1 97 97 SER C C 97 174.200 174.200 174.724 -0.524 18156 3562 1 7 . 1 1 97 97 SER CA C 97 58.500 58.500 57.528 0.972 18156 3563 1 7 . 1 1 97 97 SER CB C 97 63.800 63.800 64.984 -1.184 18156 3564 1 7 . 1 1 97 97 SER H H 97 8.650 8.650 8.398 0.252 18156 3565 1 7 . 1 1 98 98 ASP N N 98 123.200 123.200 123.428 -0.228 18156 3566 1 7 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.330 0.340 18156 3567 1 7 . 1 1 98 98 ASP C C 98 175.500 175.500 177.481 -1.981 18156 3568 1 7 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.497 -1.097 18156 3569 1 7 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.207 0.193 18156 3570 1 7 . 1 1 98 98 ASP H H 98 8.500 8.500 8.561 -0.061 18156 3571 1 8 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.778 -1.278 18156 3572 1 8 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.520 0.070 18156 3573 1 8 . 1 1 10 10 HIS C C 10 175.500 175.500 176.555 -1.055 18156 3574 1 8 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.174 0.326 18156 3575 1 8 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.408 -0.208 18156 3576 1 8 . 1 1 11 11 MET N N 11 120.900 120.900 119.176 1.724 18156 3577 1 8 . 1 1 11 11 MET HA H 11 4.290 4.290 4.489 -0.199 18156 3578 1 8 . 1 1 11 11 MET C C 11 176.300 176.300 176.228 0.072 18156 3579 1 8 . 1 1 11 11 MET CA C 11 55.900 55.900 54.273 1.627 18156 3580 1 8 . 1 1 11 11 MET CB C 11 32.700 32.700 29.708 2.992 18156 3581 1 8 . 1 1 11 11 MET H H 11 8.210 8.210 8.580 -0.370 18156 3582 1 8 . 1 1 12 12 LYS N N 12 122.100 122.100 119.898 2.202 18156 3583 1 8 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.132 -0.002 18156 3584 1 8 . 1 1 12 12 LYS C C 12 176.700 176.700 177.894 -1.194 18156 3585 1 8 . 1 1 12 12 LYS CA C 12 56.800 56.800 57.976 -1.176 18156 3586 1 8 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.766 0.034 18156 3587 1 8 . 1 1 12 12 LYS H H 12 8.300 8.300 7.757 0.543 18156 3588 1 8 . 1 1 13 13 ARG N N 13 121.500 121.500 121.521 -0.021 18156 3589 1 8 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.275 -0.005 18156 3590 1 8 . 1 1 13 13 ARG C C 13 176.200 176.200 175.447 0.753 18156 3591 1 8 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.756 0.444 18156 3592 1 8 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.614 2.186 18156 3593 1 8 . 1 1 13 13 ARG H H 13 8.160 8.160 8.120 0.040 18156 3594 1 8 . 1 1 14 14 SER N N 14 116.700 116.700 119.607 -2.907 18156 3595 1 8 . 1 1 14 14 SER HA H 14 4.530 4.530 4.744 -0.214 18156 3596 1 8 . 1 1 14 14 SER C C 14 173.600 173.600 173.492 0.108 18156 3597 1 8 . 1 1 14 14 SER CA C 14 58.300 58.300 57.248 1.052 18156 3598 1 8 . 1 1 14 14 SER CB C 14 64.100 64.100 65.550 -1.450 18156 3599 1 8 . 1 1 14 14 SER H H 14 8.160 8.160 8.059 0.101 18156 3600 1 8 . 1 1 15 15 GLY N N 15 109.300 109.300 106.392 2.908 18156 3601 1 8 . 1 1 15 15 GLY C C 15 173.000 173.000 172.902 0.098 18156 3602 1 8 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.529 -0.829 18156 3603 1 8 . 1 1 15 15 GLY H H 15 8.100 8.100 8.249 -0.149 18156 3604 1 8 . 1 1 16 16 ARG N N 16 122.300 122.300 121.332 0.968 18156 3605 1 8 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.480 0.050 18156 3606 1 8 . 1 1 16 16 ARG C C 16 173.200 173.200 174.794 -1.594 18156 3607 1 8 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.301 -0.001 18156 3608 1 8 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.884 1.016 18156 3609 1 8 . 1 1 16 16 ARG H H 16 8.460 8.460 8.378 0.082 18156 3610 1 8 . 1 1 17 17 GLU N N 17 126.800 126.800 128.348 -1.548 18156 3611 1 8 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.693 -0.473 18156 3612 1 8 . 1 1 17 17 GLU C C 17 177.000 177.000 176.220 0.780 18156 3613 1 8 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.772 -0.772 18156 3614 1 8 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.220 0.880 18156 3615 1 8 . 1 1 17 17 GLU H H 17 8.190 8.190 8.451 -0.261 18156 3616 1 8 . 1 1 18 18 ILE N N 18 122.600 122.600 123.193 -0.593 18156 3617 1 8 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.688 0.272 18156 3618 1 8 . 1 1 18 18 ILE C C 18 174.600 174.600 175.147 -0.547 18156 3619 1 8 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.842 0.359 18156 3620 1 8 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.510 1.390 18156 3621 1 8 . 1 1 18 18 ILE H H 18 8.870 8.870 8.524 0.346 18156 3622 1 8 . 1 1 19 19 THR N N 19 108.700 108.700 109.804 -1.104 18156 3623 1 8 . 1 1 19 19 THR HA H 19 4.760 4.760 4.658 0.102 18156 3624 1 8 . 1 1 19 19 THR C C 19 175.400 175.400 175.641 -0.241 18156 3625 1 8 . 1 1 19 19 THR CA C 19 59.800 59.800 60.219 -0.419 18156 3626 1 8 . 1 1 19 19 THR CB C 19 72.100 72.100 71.572 0.528 18156 3627 1 8 . 1 1 19 19 THR H H 19 8.140 8.140 7.989 0.151 18156 3628 1 8 . 1 1 20 20 TRP N N 20 121.900 121.900 123.645 -1.745 18156 3629 1 8 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.885 0.015 18156 3630 1 8 . 1 1 20 20 TRP C C 20 176.600 176.600 177.170 -0.570 18156 3631 1 8 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.785 -0.785 18156 3632 1 8 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.703 -0.403 18156 3633 1 8 . 1 1 20 20 TRP H H 20 9.060 9.060 8.833 0.227 18156 3634 1 8 . 1 1 21 21 LYS N N 21 116.900 116.900 118.879 -1.979 18156 3635 1 8 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.828 -0.168 18156 3636 1 8 . 1 1 21 21 LYS C C 21 178.200 178.200 178.215 -0.015 18156 3637 1 8 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.863 -0.163 18156 3638 1 8 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.850 0.350 18156 3639 1 8 . 1 1 21 21 LYS H H 21 8.320 8.320 8.094 0.226 18156 3640 1 8 . 1 1 22 22 ASP N N 22 119.000 119.000 118.820 0.180 18156 3641 1 8 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.369 -0.099 18156 3642 1 8 . 1 1 22 22 ASP C C 22 178.500 178.500 177.977 0.523 18156 3643 1 8 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.586 -0.585 18156 3644 1 8 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.847 0.453 18156 3645 1 8 . 1 1 22 22 ASP H H 22 7.670 7.670 7.877 -0.207 18156 3646 1 8 . 1 1 23 23 PHE N N 23 120.000 120.000 121.214 -1.214 18156 3647 1 8 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.325 -0.075 18156 3648 1 8 . 1 1 23 23 PHE C C 23 177.500 177.500 177.185 0.315 18156 3649 1 8 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.085 -0.285 18156 3650 1 8 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.656 -1.056 18156 3651 1 8 . 1 1 23 23 PHE H H 23 8.430 8.430 8.119 0.311 18156 3652 1 8 . 1 1 24 24 VAL N N 24 120.700 120.700 118.169 2.531 18156 3653 1 8 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.943 -0.213 18156 3654 1 8 . 1 1 24 24 VAL C C 24 178.200 178.200 177.976 0.224 18156 3655 1 8 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.237 0.663 18156 3656 1 8 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.469 1.631 18156 3657 1 8 . 1 1 24 24 VAL H H 24 8.250 8.250 7.844 0.406 18156 3658 1 8 . 1 1 25 25 ASN N N 25 116.700 116.700 118.485 -1.785 18156 3659 1 8 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.332 -0.132 18156 3660 1 8 . 1 1 25 25 ASN C C 25 176.200 176.200 177.197 -0.997 18156 3661 1 8 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.139 -0.139 18156 3662 1 8 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.519 0.181 18156 3663 1 8 . 1 1 25 25 ASN H H 25 8.260 8.260 7.989 0.271 18156 3664 1 8 . 1 1 26 26 ASN N N 26 112.300 112.300 116.053 -3.753 18156 3665 1 8 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.524 0.076 18156 3666 1 8 . 1 1 26 26 ASN C C 26 174.500 174.500 175.889 -1.389 18156 3667 1 8 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.173 -1.573 18156 3668 1 8 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.873 -0.073 18156 3669 1 8 . 1 1 26 26 ASN H H 26 8.490 8.490 8.100 0.390 18156 3670 1 8 . 1 1 27 27 TYR N N 27 113.700 113.700 118.148 -4.448 18156 3671 1 8 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.550 0.280 18156 3672 1 8 . 1 1 27 27 TYR C C 27 176.500 176.500 177.361 -0.861 18156 3673 1 8 . 1 1 27 27 TYR CA C 27 58.200 58.200 60.333 -2.133 18156 3674 1 8 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.033 0.267 18156 3675 1 8 . 1 1 27 27 TYR H H 27 7.000 7.000 7.678 -0.678 18156 3676 1 8 . 1 1 28 28 LEU N N 28 122.700 122.700 121.217 1.483 18156 3677 1 8 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.838 -0.008 18156 3678 1 8 . 1 1 28 28 LEU C C 28 179.700 179.700 178.979 0.721 18156 3679 1 8 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.305 0.995 18156 3680 1 8 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.429 -0.029 18156 3681 1 8 . 1 1 28 28 LEU H H 28 8.180 8.180 7.804 0.376 18156 3682 1 8 . 1 1 29 29 SER N N 29 109.300 109.300 114.420 -5.120 18156 3683 1 8 . 1 1 29 29 SER HA H 29 4.120 4.120 4.125 -0.005 18156 3684 1 8 . 1 1 29 29 SER C C 29 174.000 174.000 175.734 -1.734 18156 3685 1 8 . 1 1 29 29 SER CA C 29 60.300 60.300 60.962 -0.662 18156 3686 1 8 . 1 1 29 29 SER CB C 29 63.100 63.100 62.815 0.285 18156 3687 1 8 . 1 1 29 29 SER H H 29 7.940 7.940 8.130 -0.190 18156 3688 1 8 . 1 1 30 30 LYS N N 30 117.200 117.200 119.698 -2.498 18156 3689 1 8 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.474 -0.014 18156 3690 1 8 . 1 1 30 30 LYS C C 30 177.200 177.200 176.282 0.918 18156 3691 1 8 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.647 -0.847 18156 3692 1 8 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.996 0.004 18156 3693 1 8 . 1 1 30 30 LYS H H 30 6.680 6.680 7.247 -0.567 18156 3694 1 8 . 1 1 31 31 GLY N N 31 107.100 107.100 108.029 -0.929 18156 3695 1 8 . 1 1 31 31 GLY C C 31 175.700 175.700 175.351 0.349 18156 3696 1 8 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.035 1.365 18156 3697 1 8 . 1 1 31 31 GLY H H 31 7.660 7.660 7.813 -0.153 18156 3698 1 8 . 1 1 32 32 VAL N N 32 107.300 107.300 112.436 -5.136 18156 3699 1 8 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.267 0.363 18156 3700 1 8 . 1 1 32 32 VAL C C 32 174.800 174.800 175.553 -0.753 18156 3701 1 8 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.571 -1.771 18156 3702 1 8 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.261 -0.161 18156 3703 1 8 . 1 1 32 32 VAL H H 32 6.910 6.910 7.500 -0.590 18156 3704 1 8 . 1 1 33 33 VAL N N 33 122.000 122.000 119.478 2.522 18156 3705 1 8 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.563 -0.563 18156 3706 1 8 . 1 1 33 33 VAL C C 33 174.500 174.500 175.045 -0.545 18156 3707 1 8 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.568 1.732 18156 3708 1 8 . 1 1 33 33 VAL CB C 33 32.100 32.100 33.177 -1.077 18156 3709 1 8 . 1 1 33 33 VAL H H 33 8.180 8.180 7.481 0.699 18156 3710 1 8 . 1 1 34 34 ASP N N 34 128.200 128.200 125.704 2.496 18156 3711 1 8 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.678 0.082 18156 3712 1 8 . 1 1 34 34 ASP C C 34 175.400 175.400 175.624 -0.224 18156 3713 1 8 . 1 1 34 34 ASP CA C 34 55.300 55.300 55.897 -0.597 18156 3714 1 8 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.016 0.584 18156 3715 1 8 . 1 1 34 34 ASP H H 34 9.150 9.150 8.802 0.348 18156 3716 1 8 . 1 1 35 35 ARG N N 35 112.200 112.200 114.278 -2.078 18156 3717 1 8 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.860 -0.240 18156 3718 1 8 . 1 1 35 35 ARG C C 35 172.900 172.900 173.984 -1.084 18156 3719 1 8 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.830 0.470 18156 3720 1 8 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.073 0.027 18156 3721 1 8 . 1 1 35 35 ARG H H 35 7.440 7.440 7.364 0.076 18156 3722 1 8 . 1 1 36 36 LEU N N 36 120.400 120.400 124.189 -3.789 18156 3723 1 8 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.064 -0.044 18156 3724 1 8 . 1 1 36 36 LEU C C 36 174.800 174.800 175.961 -1.161 18156 3725 1 8 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.719 -0.719 18156 3726 1 8 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.328 0.573 18156 3727 1 8 . 1 1 36 36 LEU H H 36 8.410 8.410 8.923 -0.513 18156 3728 1 8 . 1 1 37 37 GLU N N 37 120.800 120.800 125.516 -4.716 18156 3729 1 8 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.793 0.137 18156 3730 1 8 . 1 1 37 37 GLU C C 37 174.400 174.400 176.035 -1.635 18156 3731 1 8 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.946 -1.646 18156 3732 1 8 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.287 1.413 18156 3733 1 8 . 1 1 37 37 GLU H H 37 8.470 8.470 8.848 -0.378 18156 3734 1 8 . 1 1 38 38 VAL N N 38 125.600 125.600 127.688 -2.088 18156 3735 1 8 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.863 0.147 18156 3736 1 8 . 1 1 38 38 VAL C C 38 175.500 175.500 174.991 0.509 18156 3737 1 8 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.570 -0.170 18156 3738 1 8 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.410 0.390 18156 3739 1 8 . 1 1 38 38 VAL H H 38 9.130 9.130 8.571 0.559 18156 3740 1 8 . 1 1 39 39 VAL N N 39 131.700 131.700 129.064 2.636 18156 3741 1 8 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.122 0.058 18156 3742 1 8 . 1 1 39 39 VAL C C 39 175.600 175.600 175.897 -0.297 18156 3743 1 8 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.436 0.264 18156 3744 1 8 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.605 0.195 18156 3745 1 8 . 1 1 39 39 VAL H H 39 9.040 9.040 7.747 1.293 18156 3746 1 8 . 1 1 40 40 ASN N N 40 125.000 125.000 127.261 -2.261 18156 3747 1 8 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.240 0.220 18156 3748 1 8 . 1 1 40 40 ASN C C 40 173.300 173.300 174.615 -1.315 18156 3749 1 8 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.551 -0.451 18156 3750 1 8 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.537 -0.537 18156 3751 1 8 . 1 1 40 40 ASN H H 40 9.060 9.060 9.269 -0.209 18156 3752 1 8 . 1 1 41 41 LYS N N 41 109.900 109.900 110.154 -0.254 18156 3753 1 8 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.664 -0.424 18156 3754 1 8 . 1 1 41 41 LYS C C 41 175.000 175.000 175.852 -0.852 18156 3755 1 8 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.422 -0.122 18156 3756 1 8 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.448 0.152 18156 3757 1 8 . 1 1 41 41 LYS H H 41 9.250 9.250 8.341 0.909 18156 3758 1 8 . 1 1 42 42 ARG N N 42 115.800 115.800 117.763 -1.963 18156 3759 1 8 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.270 0.440 18156 3760 1 8 . 1 1 42 42 ARG C C 42 174.900 174.900 175.762 -0.862 18156 3761 1 8 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.612 -1.412 18156 3762 1 8 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.340 1.860 18156 3763 1 8 . 1 1 42 42 ARG H H 42 8.110 8.110 7.527 0.583 18156 3764 1 8 . 1 1 43 43 PHE N N 43 115.100 115.100 111.079 4.021 18156 3765 1 8 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.923 0.237 18156 3766 1 8 . 1 1 43 43 PHE C C 43 171.200 171.200 172.755 -1.555 18156 3767 1 8 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.999 -0.299 18156 3768 1 8 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.171 -0.071 18156 3769 1 8 . 1 1 43 43 PHE H H 43 7.610 7.610 7.298 0.312 18156 3770 1 8 . 1 1 44 44 VAL N N 44 121.200 121.200 117.976 3.224 18156 3771 1 8 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.126 0.464 18156 3772 1 8 . 1 1 44 44 VAL C C 44 174.600 174.600 174.225 0.375 18156 3773 1 8 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.602 -0.802 18156 3774 1 8 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.318 -1.418 18156 3775 1 8 . 1 1 44 44 VAL H H 44 9.030 9.030 8.571 0.459 18156 3776 1 8 . 1 1 45 45 ARG N N 45 125.000 125.000 127.074 -2.074 18156 3777 1 8 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.699 0.261 18156 3778 1 8 . 1 1 45 45 ARG C C 45 175.400 175.400 175.018 0.382 18156 3779 1 8 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.636 0.364 18156 3780 1 8 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.502 0.698 18156 3781 1 8 . 1 1 45 45 ARG H H 45 9.320 9.320 8.619 0.701 18156 3782 1 8 . 1 1 46 46 VAL N N 46 127.200 127.200 129.242 -2.042 18156 3783 1 8 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.112 -0.002 18156 3784 1 8 . 1 1 46 46 VAL C C 46 174.700 174.700 175.230 -0.530 18156 3785 1 8 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.948 -0.748 18156 3786 1 8 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.108 1.992 18156 3787 1 8 . 1 1 46 46 VAL H H 46 8.770 8.770 8.693 0.077 18156 3788 1 8 . 1 1 47 47 THR N N 47 120.800 120.800 124.482 -3.682 18156 3789 1 8 . 1 1 47 47 THR HA H 47 4.700 4.700 4.422 0.278 18156 3790 1 8 . 1 1 47 47 THR C C 47 174.500 174.500 173.487 1.013 18156 3791 1 8 . 1 1 47 47 THR CA C 47 61.300 61.300 62.011 -0.711 18156 3792 1 8 . 1 1 47 47 THR CB C 47 69.800 69.800 70.138 -0.338 18156 3793 1 8 . 1 1 47 47 THR H H 47 8.110 8.110 8.340 -0.230 18156 3794 1 8 . 1 1 48 48 PHE N N 48 125.700 125.700 123.141 2.559 18156 3795 1 8 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.323 0.027 18156 3796 1 8 . 1 1 48 48 PHE C C 48 176.000 176.000 176.970 -0.970 18156 3797 1 8 . 1 1 48 48 PHE CA C 48 57.300 57.300 55.875 1.425 18156 3798 1 8 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.592 0.808 18156 3799 1 8 . 1 1 48 48 PHE H H 48 9.000 9.000 8.317 0.683 18156 3800 1 8 . 1 1 49 49 THR N N 49 118.900 118.900 113.139 5.761 18156 3801 1 8 . 1 1 49 49 THR HA H 49 4.330 4.330 4.684 -0.354 18156 3802 1 8 . 1 1 49 49 THR CA C 49 61.200 61.200 59.776 1.424 18156 3803 1 8 . 1 1 49 49 THR CB C 49 69.400 69.400 68.737 0.662 18156 3804 1 8 . 1 1 49 49 THR H H 49 8.620 8.620 8.578 0.042 18156 3805 1 8 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.227 0.133 18156 3806 1 8 . 1 1 50 50 PRO C C 50 177.700 177.700 176.390 1.310 18156 3807 1 8 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.651 0.849 18156 3808 1 8 . 1 1 50 50 PRO CB C 50 31.800 31.800 29.927 1.873 18156 3809 1 8 . 1 1 51 51 GLY N N 51 111.300 111.300 109.416 1.884 18156 3810 1 8 . 1 1 51 51 GLY C C 51 175.200 175.200 173.611 1.589 18156 3811 1 8 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.806 -0.405 18156 3812 1 8 . 1 1 51 51 GLY H H 51 8.880 8.880 8.385 0.495 18156 3813 1 8 . 1 1 52 52 LYS N N 52 118.900 118.900 123.728 -4.828 18156 3814 1 8 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.614 -0.044 18156 3815 1 8 . 1 1 52 52 LYS C C 52 175.800 175.800 174.519 1.281 18156 3816 1 8 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.155 -0.355 18156 3817 1 8 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.060 -0.460 18156 3818 1 8 . 1 1 52 52 LYS H H 52 8.110 8.110 7.835 0.275 18156 3819 1 8 . 1 1 53 53 THR N N 53 114.700 114.700 118.184 -3.484 18156 3820 1 8 . 1 1 53 53 THR HA H 53 4.180 4.180 4.434 -0.254 18156 3821 1 8 . 1 1 53 53 THR CA C 53 60.400 60.400 59.509 0.891 18156 3822 1 8 . 1 1 53 53 THR CB C 53 69.100 69.100 70.897 -1.797 18156 3823 1 8 . 1 1 53 53 THR H H 53 7.700 7.700 8.038 -0.338 18156 3824 1 8 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.358 0.052 18156 3825 1 8 . 1 1 54 54 PRO C C 54 177.500 177.500 176.157 1.343 18156 3826 1 8 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.756 0.444 18156 3827 1 8 . 1 1 54 54 PRO CB C 54 32.300 32.300 31.442 0.858 18156 3828 1 8 . 1 1 55 55 VAL N N 55 119.300 119.300 123.155 -3.855 18156 3829 1 8 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.788 0.212 18156 3830 1 8 . 1 1 55 55 VAL C C 55 176.000 176.000 177.057 -1.057 18156 3831 1 8 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.316 -1.016 18156 3832 1 8 . 1 1 55 55 VAL CB C 55 32.400 32.400 32.295 0.105 18156 3833 1 8 . 1 1 55 55 VAL H H 55 8.190 8.190 8.156 0.034 18156 3834 1 8 . 1 1 56 56 ASP N N 56 120.300 120.300 119.639 0.661 18156 3835 1 8 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.572 -0.002 18156 3836 1 8 . 1 1 56 56 ASP C C 56 177.000 177.000 176.975 0.025 18156 3837 1 8 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.420 -0.120 18156 3838 1 8 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.838 -0.138 18156 3839 1 8 . 1 1 56 56 ASP H H 56 8.170 8.170 8.288 -0.118 18156 3840 1 8 . 1 1 57 57 GLY N N 57 108.300 108.300 106.736 1.564 18156 3841 1 8 . 1 1 57 57 GLY C C 57 173.700 173.700 173.232 0.468 18156 3842 1 8 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.473 1.327 18156 3843 1 8 . 1 1 57 57 GLY H H 57 8.110 8.110 7.564 0.546 18156 3844 1 8 . 1 1 58 58 GLN N N 58 118.900 118.900 117.364 1.536 18156 3845 1 8 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.745 -0.245 18156 3846 1 8 . 1 1 58 58 GLN C C 58 175.700 175.700 175.106 0.594 18156 3847 1 8 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.276 1.924 18156 3848 1 8 . 1 1 58 58 GLN CB C 58 30.200 30.200 31.629 -1.429 18156 3849 1 8 . 1 1 58 58 GLN H H 58 8.070 8.070 8.143 -0.073 18156 3850 1 8 . 1 1 59 59 TYR N N 59 118.800 118.800 120.000 -1.200 18156 3851 1 8 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.728 0.402 18156 3852 1 8 . 1 1 59 59 TYR C C 59 177.500 177.500 176.180 1.320 18156 3853 1 8 . 1 1 59 59 TYR CA C 59 56.700 56.700 60.052 -3.352 18156 3854 1 8 . 1 1 59 59 TYR CB C 59 39.300 39.300 38.983 0.316 18156 3855 1 8 . 1 1 59 59 TYR H H 59 8.110 8.110 8.987 -0.877 18156 3856 1 8 . 1 1 60 60 VAL N N 60 115.600 115.600 113.223 2.377 18156 3857 1 8 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.046 0.454 18156 3858 1 8 . 1 1 60 60 VAL C C 60 174.700 174.700 174.531 0.169 18156 3859 1 8 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.038 -0.038 18156 3860 1 8 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.905 -0.905 18156 3861 1 8 . 1 1 60 60 VAL H H 60 8.250 8.250 8.037 0.213 18156 3862 1 8 . 1 1 61 61 TRP N N 61 120.800 120.800 117.776 3.024 18156 3863 1 8 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.327 0.593 18156 3864 1 8 . 1 1 61 61 TRP C C 61 172.700 172.700 173.309 -0.609 18156 3865 1 8 . 1 1 61 61 TRP CA C 61 55.000 55.000 56.212 -1.212 18156 3866 1 8 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.138 0.762 18156 3867 1 8 . 1 1 61 61 TRP H H 61 8.500 8.500 8.630 -0.130 18156 3868 1 8 . 1 1 62 62 PHE N N 62 112.100 112.100 115.412 -3.312 18156 3869 1 8 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.984 0.056 18156 3870 1 8 . 1 1 62 62 PHE C C 62 174.800 174.800 174.016 0.784 18156 3871 1 8 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.113 -0.713 18156 3872 1 8 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.276 0.624 18156 3873 1 8 . 1 1 62 62 PHE H H 62 8.700 8.700 8.643 0.057 18156 3874 1 8 . 1 1 63 63 ASN N N 63 120.800 120.800 120.461 0.339 18156 3875 1 8 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.013 0.147 18156 3876 1 8 . 1 1 63 63 ASN C C 63 175.800 175.800 175.249 0.551 18156 3877 1 8 . 1 1 63 63 ASN CA C 63 54.100 54.100 54.326 -0.226 18156 3878 1 8 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.910 0.690 18156 3879 1 8 . 1 1 63 63 ASN H H 63 9.340 9.340 8.901 0.439 18156 3880 1 8 . 1 1 64 64 ILE N N 64 113.400 113.400 119.295 -5.895 18156 3881 1 8 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.672 -0.022 18156 3882 1 8 . 1 1 64 64 ILE C C 64 175.300 175.300 175.347 -0.047 18156 3883 1 8 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.661 0.439 18156 3884 1 8 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.375 1.725 18156 3885 1 8 . 1 1 64 64 ILE H H 64 7.820 7.820 7.960 -0.140 18156 3886 1 8 . 1 1 65 65 GLY N N 65 110.700 110.700 111.667 -0.967 18156 3887 1 8 . 1 1 65 65 GLY C C 65 174.300 174.300 175.007 -0.707 18156 3888 1 8 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.014 -0.214 18156 3889 1 8 . 1 1 65 65 GLY H H 65 8.570 8.570 8.711 -0.141 18156 3890 1 8 . 1 1 66 66 SER N N 66 113.800 113.800 115.696 -1.896 18156 3891 1 8 . 1 1 66 66 SER HA H 66 4.730 4.730 4.645 0.085 18156 3892 1 8 . 1 1 66 66 SER C C 66 175.500 175.500 175.160 0.340 18156 3893 1 8 . 1 1 66 66 SER CA C 66 56.800 56.800 56.225 0.575 18156 3894 1 8 . 1 1 66 66 SER CB C 66 64.500 64.500 64.277 0.223 18156 3895 1 8 . 1 1 66 66 SER H H 66 7.680 7.680 7.773 -0.093 18156 3896 1 8 . 1 1 67 67 VAL N N 67 127.000 127.000 128.484 -1.484 18156 3897 1 8 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.863 -0.043 18156 3898 1 8 . 1 1 67 67 VAL C C 67 176.700 176.700 177.267 -0.567 18156 3899 1 8 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.318 1.282 18156 3900 1 8 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.792 -0.092 18156 3901 1 8 . 1 1 67 67 VAL H H 67 9.150 9.150 8.905 0.245 18156 3902 1 8 . 1 1 68 68 ASP N N 68 118.800 118.800 119.345 -0.545 18156 3903 1 8 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.393 0.057 18156 3904 1 8 . 1 1 68 68 ASP C C 68 178.700 178.700 178.059 0.641 18156 3905 1 8 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.588 -0.288 18156 3906 1 8 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.853 -0.153 18156 3907 1 8 . 1 1 68 68 ASP H H 68 8.320 8.320 8.042 0.278 18156 3908 1 8 . 1 1 69 69 THR N N 69 114.500 114.500 116.536 -2.036 18156 3909 1 8 . 1 1 69 69 THR HA H 69 3.910 3.910 3.931 -0.021 18156 3910 1 8 . 1 1 69 69 THR C C 69 175.500 175.500 176.517 -1.017 18156 3911 1 8 . 1 1 69 69 THR CA C 69 65.600 65.600 66.333 -0.733 18156 3912 1 8 . 1 1 69 69 THR CB C 69 68.900 68.900 68.675 0.225 18156 3913 1 8 . 1 1 69 69 THR H H 69 7.710 7.710 7.613 0.097 18156 3914 1 8 . 1 1 70 70 PHE N N 70 122.800 122.800 121.710 1.090 18156 3915 1 8 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.764 0.556 18156 3916 1 8 . 1 1 70 70 PHE C C 70 176.000 176.000 176.553 -0.553 18156 3917 1 8 . 1 1 70 70 PHE CA C 70 60.500 60.500 60.992 -0.492 18156 3918 1 8 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.816 0.284 18156 3919 1 8 . 1 1 70 70 PHE H H 70 7.680 7.680 8.116 -0.436 18156 3920 1 8 . 1 1 71 71 GLU N N 71 118.400 118.400 118.391 0.009 18156 3921 1 8 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.433 -0.063 18156 3922 1 8 . 1 1 71 71 GLU C C 71 179.900 179.900 178.828 1.072 18156 3923 1 8 . 1 1 71 71 GLU CA C 71 60.200 60.200 58.801 1.399 18156 3924 1 8 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.153 0.047 18156 3925 1 8 . 1 1 71 71 GLU H H 71 8.660 8.660 7.938 0.722 18156 3926 1 8 . 1 1 72 72 ARG N N 72 119.500 119.500 119.626 -0.126 18156 3927 1 8 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.163 -0.003 18156 3928 1 8 . 1 1 72 72 ARG C C 72 179.200 179.200 178.870 0.330 18156 3929 1 8 . 1 1 72 72 ARG CA C 72 59.100 59.100 57.935 1.165 18156 3930 1 8 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.234 0.866 18156 3931 1 8 . 1 1 72 72 ARG H H 72 7.960 7.960 8.107 -0.147 18156 3932 1 8 . 1 1 73 73 ASN N N 73 119.900 119.900 118.343 1.557 18156 3933 1 8 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.480 0.030 18156 3934 1 8 . 1 1 73 73 ASN C C 73 178.100 178.100 177.416 0.684 18156 3935 1 8 . 1 1 73 73 ASN CA C 73 55.500 55.500 56.379 -0.879 18156 3936 1 8 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.294 -0.894 18156 3937 1 8 . 1 1 73 73 ASN H H 73 8.610 8.610 7.669 0.941 18156 3938 1 8 . 1 1 74 74 LEU N N 74 121.900 121.900 122.245 -0.345 18156 3939 1 8 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.313 -0.063 18156 3940 1 8 . 1 1 74 74 LEU C C 74 179.100 179.100 178.343 0.757 18156 3941 1 8 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.498 -0.198 18156 3942 1 8 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.811 -0.011 18156 3943 1 8 . 1 1 74 74 LEU H H 74 8.720 8.720 7.780 0.940 18156 3944 1 8 . 1 1 75 75 GLU N N 75 120.700 120.700 117.883 2.817 18156 3945 1 8 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.961 0.149 18156 3946 1 8 . 1 1 75 75 GLU C C 75 178.900 178.900 179.337 -0.437 18156 3947 1 8 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.756 0.144 18156 3948 1 8 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.464 -0.164 18156 3949 1 8 . 1 1 75 75 GLU H H 75 8.070 8.070 8.366 -0.296 18156 3950 1 8 . 1 1 76 76 THR N N 76 115.700 115.700 116.526 -0.826 18156 3951 1 8 . 1 1 76 76 THR HA H 76 4.000 4.000 4.046 -0.046 18156 3952 1 8 . 1 1 76 76 THR C C 76 176.600 176.600 176.776 -0.176 18156 3953 1 8 . 1 1 76 76 THR CA C 76 66.500 66.500 66.363 0.137 18156 3954 1 8 . 1 1 76 76 THR CB C 76 69.000 69.000 68.784 0.216 18156 3955 1 8 . 1 1 76 76 THR H H 76 8.400 8.400 7.745 0.655 18156 3956 1 8 . 1 1 77 77 LEU N N 77 122.200 122.200 122.891 -0.691 18156 3957 1 8 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.350 -0.090 18156 3958 1 8 . 1 1 77 77 LEU C C 77 179.200 179.200 178.847 0.353 18156 3959 1 8 . 1 1 77 77 LEU CA C 77 57.300 57.300 57.744 -0.444 18156 3960 1 8 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.605 0.295 18156 3961 1 8 . 1 1 77 77 LEU H H 77 8.330 8.330 8.050 0.280 18156 3962 1 8 . 1 1 78 78 GLN N N 78 115.700 115.700 117.764 -2.064 18156 3963 1 8 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.919 -0.039 18156 3964 1 8 . 1 1 78 78 GLN C C 78 177.600 177.600 178.598 -0.998 18156 3965 1 8 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.350 1.950 18156 3966 1 8 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.488 0.912 18156 3967 1 8 . 1 1 78 78 GLN H H 78 8.200 8.200 8.334 -0.134 18156 3968 1 8 . 1 1 79 79 GLN N N 79 118.400 118.400 117.361 1.039 18156 3969 1 8 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.067 0.073 18156 3970 1 8 . 1 1 79 79 GLN C C 79 180.000 180.000 178.352 1.648 18156 3971 1 8 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.557 0.643 18156 3972 1 8 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.646 -0.446 18156 3973 1 8 . 1 1 79 79 GLN H H 79 7.980 7.980 7.808 0.172 18156 3974 1 8 . 1 1 80 80 GLU N N 80 121.700 121.700 119.327 2.373 18156 3975 1 8 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.131 -0.081 18156 3976 1 8 . 1 1 80 80 GLU C C 80 178.800 178.800 178.893 -0.093 18156 3977 1 8 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.395 0.905 18156 3978 1 8 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.864 -0.264 18156 3979 1 8 . 1 1 80 80 GLU H H 80 8.400 8.400 7.789 0.611 18156 3980 1 8 . 1 1 81 81 LEU N N 81 117.200 117.200 117.563 -0.363 18156 3981 1 8 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.124 0.176 18156 3982 1 8 . 1 1 81 81 LEU C C 81 177.400 177.400 177.972 -0.572 18156 3983 1 8 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.670 -0.570 18156 3984 1 8 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.333 0.467 18156 3985 1 8 . 1 1 81 81 LEU H H 81 8.120 8.120 8.176 -0.056 18156 3986 1 8 . 1 1 82 82 GLY N N 82 108.900 108.900 107.405 1.495 18156 3987 1 8 . 1 1 82 82 GLY C C 82 174.600 174.600 175.412 -0.812 18156 3988 1 8 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.755 0.545 18156 3989 1 8 . 1 1 82 82 GLY H H 82 7.840 7.840 7.604 0.236 18156 3990 1 8 . 1 1 83 83 ILE N N 83 121.900 121.900 116.071 5.829 18156 3991 1 8 . 1 1 83 83 ILE HA H 83 4.000 4.000 4.130 -0.130 18156 3992 1 8 . 1 1 83 83 ILE C C 83 175.300 175.300 175.674 -0.374 18156 3993 1 8 . 1 1 83 83 ILE CA C 83 61.500 61.500 60.670 0.830 18156 3994 1 8 . 1 1 83 83 ILE CB C 83 37.800 37.800 38.842 -1.042 18156 3995 1 8 . 1 1 83 83 ILE H H 83 8.250 8.250 7.254 0.996 18156 3996 1 8 . 1 1 84 84 GLU N N 84 126.600 126.600 121.450 5.150 18156 3997 1 8 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.479 0.021 18156 3998 1 8 . 1 1 84 84 GLU C C 84 177.400 177.400 177.434 -0.034 18156 3999 1 8 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.777 0.523 18156 4000 1 8 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.294 0.306 18156 4001 1 8 . 1 1 84 84 GLU H H 84 8.760 8.760 8.106 0.654 18156 4002 1 8 . 1 1 85 85 GLY N N 85 109.400 109.400 109.352 0.048 18156 4003 1 8 . 1 1 85 85 GLY C C 85 176.600 176.600 175.090 1.510 18156 4004 1 8 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.364 0.036 18156 4005 1 8 . 1 1 85 85 GLY H H 85 8.870 8.870 8.684 0.186 18156 4006 1 8 . 1 1 86 86 GLU N N 86 123.900 123.900 119.444 4.456 18156 4007 1 8 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.173 0.077 18156 4008 1 8 . 1 1 86 86 GLU C C 86 176.200 176.200 177.928 -1.728 18156 4009 1 8 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.747 -0.947 18156 4010 1 8 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.672 -0.572 18156 4011 1 8 . 1 1 86 86 GLU H H 86 9.240 9.240 8.350 0.890 18156 4012 1 8 . 1 1 87 87 ASN N N 87 115.900 115.900 114.314 1.586 18156 4013 1 8 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.917 -0.087 18156 4014 1 8 . 1 1 87 87 ASN C C 87 174.600 174.600 174.876 -0.276 18156 4015 1 8 . 1 1 87 87 ASN CA C 87 53.200 53.200 52.759 0.441 18156 4016 1 8 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.816 -0.415 18156 4017 1 8 . 1 1 87 87 ASN H H 87 8.050 8.050 7.830 0.220 18156 4018 1 8 . 1 1 88 88 ARG N N 88 119.300 119.300 122.262 -2.962 18156 4019 1 8 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.241 -0.191 18156 4020 1 8 . 1 1 88 88 ARG C C 88 176.600 176.600 174.828 1.772 18156 4021 1 8 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.666 -0.066 18156 4022 1 8 . 1 1 88 88 ARG CB C 88 30.600 30.600 31.076 -0.476 18156 4023 1 8 . 1 1 88 88 ARG H H 88 7.230 7.230 7.845 -0.615 18156 4024 1 8 . 1 1 89 89 VAL N N 89 124.700 124.700 125.616 -0.916 18156 4025 1 8 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.621 -0.331 18156 4026 1 8 . 1 1 89 89 VAL CA C 89 60.000 60.000 58.654 1.346 18156 4027 1 8 . 1 1 89 89 VAL CB C 89 33.100 33.100 32.564 0.536 18156 4028 1 8 . 1 1 89 89 VAL H H 89 8.780 8.780 8.526 0.254 18156 4029 1 8 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.694 -0.184 18156 4030 1 8 . 1 1 90 90 PRO C C 90 175.100 175.100 175.410 -0.310 18156 4031 1 8 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.251 0.849 18156 4032 1 8 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.889 -0.289 18156 4033 1 8 . 1 1 91 91 VAL N N 91 121.600 121.600 121.267 0.333 18156 4034 1 8 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.578 0.232 18156 4035 1 8 . 1 1 91 91 VAL C C 91 176.100 176.100 176.018 0.082 18156 4036 1 8 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.711 -0.411 18156 4037 1 8 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.053 1.147 18156 4038 1 8 . 1 1 91 91 VAL H H 91 8.030 8.030 8.370 -0.340 18156 4039 1 8 . 1 1 92 92 VAL N N 92 124.800 124.800 128.488 -3.688 18156 4040 1 8 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.353 0.187 18156 4041 1 8 . 1 1 92 92 VAL C C 92 173.600 173.600 174.769 -1.169 18156 4042 1 8 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.139 -1.439 18156 4043 1 8 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.993 1.907 18156 4044 1 8 . 1 1 92 92 VAL H H 92 8.640 8.640 8.439 0.201 18156 4045 1 8 . 1 1 93 93 TYR N N 93 124.700 124.700 128.014 -3.314 18156 4046 1 8 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.447 0.483 18156 4047 1 8 . 1 1 93 93 TYR C C 93 175.700 175.700 175.868 -0.168 18156 4048 1 8 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.410 -1.010 18156 4049 1 8 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.568 0.932 18156 4050 1 8 . 1 1 93 93 TYR H H 93 8.800 8.800 8.896 -0.096 18156 4051 1 8 . 1 1 94 94 ILE N N 94 123.100 123.100 126.276 -3.176 18156 4052 1 8 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.377 0.133 18156 4053 1 8 . 1 1 94 94 ILE C C 94 173.700 173.700 174.517 -0.817 18156 4054 1 8 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.295 -1.095 18156 4055 1 8 . 1 1 94 94 ILE CB C 94 41.500 41.500 41.324 0.176 18156 4056 1 8 . 1 1 94 94 ILE H H 94 9.000 9.000 8.495 0.505 18156 4057 1 8 . 1 1 95 95 ALA N N 95 128.000 128.000 129.461 -1.461 18156 4058 1 8 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.535 0.455 18156 4059 1 8 . 1 1 95 95 ALA C C 95 177.000 177.000 176.177 0.823 18156 4060 1 8 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.699 -0.199 18156 4061 1 8 . 1 1 95 95 ALA CB C 95 20.400 20.400 20.005 0.395 18156 4062 1 8 . 1 1 95 95 ALA H H 95 8.450 8.450 8.387 0.063 18156 4063 1 8 . 1 1 96 96 GLU N N 96 122.200 122.200 123.390 -1.190 18156 4064 1 8 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.304 0.216 18156 4065 1 8 . 1 1 96 96 GLU C C 96 176.000 176.000 176.349 -0.349 18156 4066 1 8 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.281 0.219 18156 4067 1 8 . 1 1 96 96 GLU CB C 96 32.800 32.800 31.339 1.461 18156 4068 1 8 . 1 1 96 96 GLU H H 96 8.850 8.850 8.648 0.202 18156 4069 1 8 . 1 1 97 97 SER N N 97 118.600 118.600 121.224 -2.624 18156 4070 1 8 . 1 1 97 97 SER HA H 97 4.430 4.430 4.507 -0.077 18156 4071 1 8 . 1 1 97 97 SER C C 97 174.200 174.200 175.136 -0.936 18156 4072 1 8 . 1 1 97 97 SER CA C 97 58.500 58.500 57.938 0.562 18156 4073 1 8 . 1 1 97 97 SER CB C 97 63.800 63.800 62.545 1.255 18156 4074 1 8 . 1 1 97 97 SER H H 97 8.650 8.650 8.774 -0.124 18156 4075 1 8 . 1 1 98 98 ASP N N 98 123.200 123.200 126.499 -3.299 18156 4076 1 8 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.688 -0.018 18156 4077 1 8 . 1 1 98 98 ASP C C 98 175.500 175.500 176.619 -1.119 18156 4078 1 8 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.609 -1.209 18156 4079 1 8 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.538 -0.138 18156 4080 1 8 . 1 1 98 98 ASP H H 98 8.500 8.500 8.182 0.318 18156 4081 1 9 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.473 -0.973 18156 4082 1 9 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.435 0.155 18156 4083 1 9 . 1 1 10 10 HIS C C 10 175.500 175.500 175.594 -0.094 18156 4084 1 9 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.607 -0.107 18156 4085 1 9 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.776 -0.576 18156 4086 1 9 . 1 1 11 11 MET N N 11 120.900 120.900 127.011 -6.111 18156 4087 1 9 . 1 1 11 11 MET HA H 11 4.290 4.290 4.352 -0.062 18156 4088 1 9 . 1 1 11 11 MET C C 11 176.300 176.300 174.826 1.474 18156 4089 1 9 . 1 1 11 11 MET CA C 11 55.900 55.900 54.786 1.114 18156 4090 1 9 . 1 1 11 11 MET CB C 11 32.700 32.700 30.928 1.772 18156 4091 1 9 . 1 1 11 11 MET H H 11 8.210 8.210 8.523 -0.313 18156 4092 1 9 . 1 1 12 12 LYS N N 12 122.100 122.100 122.304 -0.204 18156 4093 1 9 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.129 0.001 18156 4094 1 9 . 1 1 12 12 LYS C C 12 176.700 176.700 175.586 1.114 18156 4095 1 9 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.346 0.454 18156 4096 1 9 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.387 1.413 18156 4097 1 9 . 1 1 12 12 LYS H H 12 8.300 8.300 7.648 0.652 18156 4098 1 9 . 1 1 13 13 ARG N N 13 121.500 121.500 121.239 0.261 18156 4099 1 9 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.885 -0.615 18156 4100 1 9 . 1 1 13 13 ARG C C 13 176.200 176.200 175.651 0.549 18156 4101 1 9 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.424 0.776 18156 4102 1 9 . 1 1 13 13 ARG CB C 13 30.800 30.800 32.057 -1.257 18156 4103 1 9 . 1 1 13 13 ARG H H 13 8.160 8.160 8.055 0.105 18156 4104 1 9 . 1 1 14 14 SER N N 14 116.700 116.700 115.693 1.007 18156 4105 1 9 . 1 1 14 14 SER HA H 14 4.530 4.530 4.586 -0.056 18156 4106 1 9 . 1 1 14 14 SER C C 14 173.600 173.600 175.503 -1.903 18156 4107 1 9 . 1 1 14 14 SER CA C 14 58.300 58.300 59.769 -1.469 18156 4108 1 9 . 1 1 14 14 SER CB C 14 64.100 64.100 64.402 -0.302 18156 4109 1 9 . 1 1 14 14 SER H H 14 8.160 8.160 8.719 -0.559 18156 4110 1 9 . 1 1 15 15 GLY N N 15 109.300 109.300 111.190 -1.890 18156 4111 1 9 . 1 1 15 15 GLY C C 15 173.000 173.000 173.500 -0.500 18156 4112 1 9 . 1 1 15 15 GLY CA C 15 44.700 44.700 46.181 -1.481 18156 4113 1 9 . 1 1 15 15 GLY H H 15 8.100 8.100 8.353 -0.253 18156 4114 1 9 . 1 1 16 16 ARG N N 16 122.300 122.300 120.541 1.759 18156 4115 1 9 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.534 -0.004 18156 4116 1 9 . 1 1 16 16 ARG C C 16 173.200 173.200 174.495 -1.295 18156 4117 1 9 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.798 0.502 18156 4118 1 9 . 1 1 16 16 ARG CB C 16 32.900 32.900 32.840 0.060 18156 4119 1 9 . 1 1 16 16 ARG H H 16 8.460 8.460 7.861 0.599 18156 4120 1 9 . 1 1 17 17 GLU N N 17 126.800 126.800 128.536 -1.736 18156 4121 1 9 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.768 -0.548 18156 4122 1 9 . 1 1 17 17 GLU C C 17 177.000 177.000 176.269 0.731 18156 4123 1 9 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.287 -0.287 18156 4124 1 9 . 1 1 17 17 GLU CB C 17 30.100 30.100 28.571 1.529 18156 4125 1 9 . 1 1 17 17 GLU H H 17 8.190 8.190 8.399 -0.209 18156 4126 1 9 . 1 1 18 18 ILE N N 18 122.600 122.600 123.483 -0.883 18156 4127 1 9 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.612 0.348 18156 4128 1 9 . 1 1 18 18 ILE C C 18 174.600 174.600 174.867 -0.267 18156 4129 1 9 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.656 -0.455 18156 4130 1 9 . 1 1 18 18 ILE CB C 18 41.900 41.900 39.163 2.737 18156 4131 1 9 . 1 1 18 18 ILE H H 18 8.870 8.870 8.397 0.473 18156 4132 1 9 . 1 1 19 19 THR N N 19 108.700 108.700 113.871 -5.171 18156 4133 1 9 . 1 1 19 19 THR HA H 19 4.760 4.760 4.475 0.285 18156 4134 1 9 . 1 1 19 19 THR C C 19 175.400 175.400 175.936 -0.536 18156 4135 1 9 . 1 1 19 19 THR CA C 19 59.800 59.800 59.846 -0.046 18156 4136 1 9 . 1 1 19 19 THR CB C 19 72.100 72.100 70.392 1.708 18156 4137 1 9 . 1 1 19 19 THR H H 19 8.140 8.140 8.081 0.059 18156 4138 1 9 . 1 1 20 20 TRP N N 20 121.900 121.900 128.427 -6.527 18156 4139 1 9 . 1 1 20 20 TRP HA H 20 3.900 3.900 4.117 -0.217 18156 4140 1 9 . 1 1 20 20 TRP C C 20 176.600 176.600 176.972 -0.372 18156 4141 1 9 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.736 -0.736 18156 4142 1 9 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.581 -0.281 18156 4143 1 9 . 1 1 20 20 TRP H H 20 9.060 9.060 9.031 0.029 18156 4144 1 9 . 1 1 21 21 LYS N N 21 116.900 116.900 118.419 -1.519 18156 4145 1 9 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.795 -0.135 18156 4146 1 9 . 1 1 21 21 LYS C C 21 178.200 178.200 177.928 0.272 18156 4147 1 9 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.659 0.041 18156 4148 1 9 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.016 0.184 18156 4149 1 9 . 1 1 21 21 LYS H H 21 8.320 8.320 7.834 0.486 18156 4150 1 9 . 1 1 22 22 ASP N N 22 119.000 119.000 119.560 -0.560 18156 4151 1 9 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.272 -0.002 18156 4152 1 9 . 1 1 22 22 ASP C C 22 178.500 178.500 178.194 0.306 18156 4153 1 9 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.029 -0.029 18156 4154 1 9 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.671 0.629 18156 4155 1 9 . 1 1 22 22 ASP H H 22 7.670 7.670 7.581 0.089 18156 4156 1 9 . 1 1 23 23 PHE N N 23 120.000 120.000 120.910 -0.910 18156 4157 1 9 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.332 -0.082 18156 4158 1 9 . 1 1 23 23 PHE C C 23 177.500 177.500 176.623 0.877 18156 4159 1 9 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.952 -0.152 18156 4160 1 9 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.760 -1.160 18156 4161 1 9 . 1 1 23 23 PHE H H 23 8.430 8.430 7.867 0.563 18156 4162 1 9 . 1 1 24 24 VAL N N 24 120.700 120.700 118.483 2.217 18156 4163 1 9 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.854 -0.124 18156 4164 1 9 . 1 1 24 24 VAL C C 24 178.200 178.200 177.330 0.870 18156 4165 1 9 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.832 0.068 18156 4166 1 9 . 1 1 24 24 VAL CB C 24 32.100 32.100 31.286 0.814 18156 4167 1 9 . 1 1 24 24 VAL H H 24 8.250 8.250 7.726 0.524 18156 4168 1 9 . 1 1 25 25 ASN N N 25 116.700 116.700 116.864 -0.164 18156 4169 1 9 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.300 -0.100 18156 4170 1 9 . 1 1 25 25 ASN C C 25 176.200 176.200 177.547 -1.347 18156 4171 1 9 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.676 0.324 18156 4172 1 9 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.397 0.303 18156 4173 1 9 . 1 1 25 25 ASN H H 25 8.260 8.260 8.118 0.142 18156 4174 1 9 . 1 1 26 26 ASN N N 26 112.300 112.300 116.078 -3.778 18156 4175 1 9 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.403 0.197 18156 4176 1 9 . 1 1 26 26 ASN C C 26 174.500 174.500 175.355 -0.855 18156 4177 1 9 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.992 -1.392 18156 4178 1 9 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.337 0.462 18156 4179 1 9 . 1 1 26 26 ASN H H 26 8.490 8.490 7.777 0.713 18156 4180 1 9 . 1 1 27 27 TYR N N 27 113.700 113.700 116.429 -2.729 18156 4181 1 9 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.499 0.331 18156 4182 1 9 . 1 1 27 27 TYR C C 27 176.500 176.500 176.787 -0.287 18156 4183 1 9 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.501 -1.301 18156 4184 1 9 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.764 0.536 18156 4185 1 9 . 1 1 27 27 TYR H H 27 7.000 7.000 7.199 -0.199 18156 4186 1 9 . 1 1 28 28 LEU N N 28 122.700 122.700 121.050 1.650 18156 4187 1 9 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.846 -0.016 18156 4188 1 9 . 1 1 28 28 LEU C C 28 179.700 179.700 179.313 0.387 18156 4189 1 9 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.526 0.774 18156 4190 1 9 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.659 -0.259 18156 4191 1 9 . 1 1 28 28 LEU H H 28 8.180 8.180 7.984 0.196 18156 4192 1 9 . 1 1 29 29 SER N N 29 109.300 109.300 114.793 -5.493 18156 4193 1 9 . 1 1 29 29 SER HA H 29 4.120 4.120 4.286 -0.166 18156 4194 1 9 . 1 1 29 29 SER C C 29 174.000 174.000 175.471 -1.471 18156 4195 1 9 . 1 1 29 29 SER CA C 29 60.300 60.300 60.815 -0.515 18156 4196 1 9 . 1 1 29 29 SER CB C 29 63.100 63.100 63.000 0.100 18156 4197 1 9 . 1 1 29 29 SER H H 29 7.940 7.940 8.349 -0.409 18156 4198 1 9 . 1 1 30 30 LYS N N 30 117.200 117.200 118.596 -1.396 18156 4199 1 9 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.449 0.011 18156 4200 1 9 . 1 1 30 30 LYS C C 30 177.200 177.200 176.748 0.452 18156 4201 1 9 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.821 -0.021 18156 4202 1 9 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.519 0.481 18156 4203 1 9 . 1 1 30 30 LYS H H 30 6.680 6.680 7.262 -0.582 18156 4204 1 9 . 1 1 31 31 GLY N N 31 107.100 107.100 108.681 -1.581 18156 4205 1 9 . 1 1 31 31 GLY C C 31 175.700 175.700 175.365 0.335 18156 4206 1 9 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.250 1.150 18156 4207 1 9 . 1 1 31 31 GLY H H 31 7.660 7.660 7.592 0.068 18156 4208 1 9 . 1 1 32 32 VAL N N 32 107.300 107.300 110.757 -3.457 18156 4209 1 9 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.547 0.083 18156 4210 1 9 . 1 1 32 32 VAL C C 32 174.800 174.800 175.162 -0.362 18156 4211 1 9 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.611 -0.811 18156 4212 1 9 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.862 -0.762 18156 4213 1 9 . 1 1 32 32 VAL H H 32 6.910 6.910 7.435 -0.525 18156 4214 1 9 . 1 1 33 33 VAL N N 33 122.000 122.000 120.036 1.964 18156 4215 1 9 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.113 -0.113 18156 4216 1 9 . 1 1 33 33 VAL C C 33 174.500 174.500 175.163 -0.663 18156 4217 1 9 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.338 1.962 18156 4218 1 9 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.109 -0.009 18156 4219 1 9 . 1 1 33 33 VAL H H 33 8.180 8.180 7.420 0.760 18156 4220 1 9 . 1 1 34 34 ASP N N 34 128.200 128.200 126.520 1.680 18156 4221 1 9 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.553 0.207 18156 4222 1 9 . 1 1 34 34 ASP C C 34 175.400 175.400 175.559 -0.159 18156 4223 1 9 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.257 -0.957 18156 4224 1 9 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.801 0.799 18156 4225 1 9 . 1 1 34 34 ASP H H 34 9.150 9.150 8.781 0.369 18156 4226 1 9 . 1 1 35 35 ARG N N 35 112.200 112.200 113.783 -1.583 18156 4227 1 9 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.721 -0.101 18156 4228 1 9 . 1 1 35 35 ARG C C 35 172.900 172.900 173.804 -0.904 18156 4229 1 9 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.847 0.452 18156 4230 1 9 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.314 -0.214 18156 4231 1 9 . 1 1 35 35 ARG H H 35 7.440 7.440 7.399 0.041 18156 4232 1 9 . 1 1 36 36 LEU N N 36 120.400 120.400 122.952 -2.552 18156 4233 1 9 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.030 -0.010 18156 4234 1 9 . 1 1 36 36 LEU C C 36 174.800 174.800 175.763 -0.963 18156 4235 1 9 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.785 -0.785 18156 4236 1 9 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.605 0.295 18156 4237 1 9 . 1 1 36 36 LEU H H 36 8.410 8.410 8.676 -0.266 18156 4238 1 9 . 1 1 37 37 GLU N N 37 120.800 120.800 125.273 -4.473 18156 4239 1 9 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.760 0.170 18156 4240 1 9 . 1 1 37 37 GLU C C 37 174.400 174.400 175.869 -1.469 18156 4241 1 9 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.122 -1.822 18156 4242 1 9 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.397 1.303 18156 4243 1 9 . 1 1 37 37 GLU H H 37 8.470 8.470 8.652 -0.182 18156 4244 1 9 . 1 1 38 38 VAL N N 38 125.600 125.600 127.515 -1.915 18156 4245 1 9 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.926 0.084 18156 4246 1 9 . 1 1 38 38 VAL C C 38 175.500 175.500 174.975 0.525 18156 4247 1 9 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.659 -0.259 18156 4248 1 9 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.540 0.260 18156 4249 1 9 . 1 1 38 38 VAL H H 38 9.130 9.130 8.338 0.792 18156 4250 1 9 . 1 1 39 39 VAL N N 39 131.700 131.700 128.954 2.746 18156 4251 1 9 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.044 0.136 18156 4252 1 9 . 1 1 39 39 VAL C C 39 175.600 175.600 176.004 -0.404 18156 4253 1 9 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.072 0.628 18156 4254 1 9 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.204 0.596 18156 4255 1 9 . 1 1 39 39 VAL H H 39 9.040 9.040 7.633 1.407 18156 4256 1 9 . 1 1 40 40 ASN N N 40 125.000 125.000 125.872 -0.872 18156 4257 1 9 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.240 0.220 18156 4258 1 9 . 1 1 40 40 ASN C C 40 173.300 173.300 174.554 -1.254 18156 4259 1 9 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.641 -0.541 18156 4260 1 9 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.010 -0.010 18156 4261 1 9 . 1 1 40 40 ASN H H 40 9.060 9.060 8.937 0.123 18156 4262 1 9 . 1 1 41 41 LYS N N 41 109.900 109.900 109.809 0.091 18156 4263 1 9 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.748 -0.508 18156 4264 1 9 . 1 1 41 41 LYS C C 41 175.000 175.000 175.786 -0.786 18156 4265 1 9 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.445 -0.145 18156 4266 1 9 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.938 -0.338 18156 4267 1 9 . 1 1 41 41 LYS H H 41 9.250 9.250 8.230 1.020 18156 4268 1 9 . 1 1 42 42 ARG N N 42 115.800 115.800 117.575 -1.775 18156 4269 1 9 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.285 0.425 18156 4270 1 9 . 1 1 42 42 ARG C C 42 174.900 174.900 175.749 -0.849 18156 4271 1 9 . 1 1 42 42 ARG CA C 42 57.200 57.200 57.297 -0.097 18156 4272 1 9 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.625 2.575 18156 4273 1 9 . 1 1 42 42 ARG H H 42 8.110 8.110 7.527 0.583 18156 4274 1 9 . 1 1 43 43 PHE N N 43 115.100 115.100 111.149 3.951 18156 4275 1 9 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.738 0.422 18156 4276 1 9 . 1 1 43 43 PHE C C 43 171.200 171.200 172.710 -1.510 18156 4277 1 9 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.206 -0.506 18156 4278 1 9 . 1 1 43 43 PHE CB C 43 41.100 41.100 40.602 0.498 18156 4279 1 9 . 1 1 43 43 PHE H H 43 7.610 7.610 7.173 0.436 18156 4280 1 9 . 1 1 44 44 VAL N N 44 121.200 121.200 118.391 2.809 18156 4281 1 9 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.390 0.200 18156 4282 1 9 . 1 1 44 44 VAL C C 44 174.600 174.600 174.241 0.359 18156 4283 1 9 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.800 -1.000 18156 4284 1 9 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.606 -1.706 18156 4285 1 9 . 1 1 44 44 VAL H H 44 9.030 9.030 8.320 0.710 18156 4286 1 9 . 1 1 45 45 ARG N N 45 125.000 125.000 127.106 -2.106 18156 4287 1 9 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.843 0.117 18156 4288 1 9 . 1 1 45 45 ARG C C 45 175.400 175.400 174.758 0.642 18156 4289 1 9 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.497 0.503 18156 4290 1 9 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.705 0.495 18156 4291 1 9 . 1 1 45 45 ARG H H 45 9.320 9.320 8.875 0.445 18156 4292 1 9 . 1 1 46 46 VAL N N 46 127.200 127.200 129.537 -2.337 18156 4293 1 9 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.223 -0.113 18156 4294 1 9 . 1 1 46 46 VAL C C 46 174.700 174.700 175.301 -0.601 18156 4295 1 9 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.134 0.066 18156 4296 1 9 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.562 1.538 18156 4297 1 9 . 1 1 46 46 VAL H H 46 8.770 8.770 8.725 0.045 18156 4298 1 9 . 1 1 47 47 THR N N 47 120.800 120.800 124.811 -4.011 18156 4299 1 9 . 1 1 47 47 THR HA H 47 4.700 4.700 4.920 -0.220 18156 4300 1 9 . 1 1 47 47 THR C C 47 174.500 174.500 173.732 0.768 18156 4301 1 9 . 1 1 47 47 THR CA C 47 61.300 61.300 62.566 -1.266 18156 4302 1 9 . 1 1 47 47 THR CB C 47 69.800 69.800 70.101 -0.301 18156 4303 1 9 . 1 1 47 47 THR H H 47 8.110 8.110 8.276 -0.166 18156 4304 1 9 . 1 1 48 48 PHE N N 48 125.700 125.700 124.307 1.393 18156 4305 1 9 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.997 0.353 18156 4306 1 9 . 1 1 48 48 PHE C C 48 176.000 176.000 176.463 -0.463 18156 4307 1 9 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.715 0.585 18156 4308 1 9 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.911 -0.511 18156 4309 1 9 . 1 1 48 48 PHE H H 48 9.000 9.000 9.009 -0.009 18156 4310 1 9 . 1 1 49 49 THR N N 49 118.900 118.900 115.662 3.238 18156 4311 1 9 . 1 1 49 49 THR HA H 49 4.330 4.330 4.624 -0.294 18156 4312 1 9 . 1 1 49 49 THR CA C 49 61.200 61.200 59.593 1.607 18156 4313 1 9 . 1 1 49 49 THR CB C 49 69.400 69.400 68.689 0.711 18156 4314 1 9 . 1 1 49 49 THR H H 49 8.620 8.620 8.670 -0.050 18156 4315 1 9 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.170 0.190 18156 4316 1 9 . 1 1 50 50 PRO C C 50 177.700 177.700 177.109 0.591 18156 4317 1 9 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.998 0.502 18156 4318 1 9 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.499 1.301 18156 4319 1 9 . 1 1 51 51 GLY N N 51 111.300 111.300 113.014 -1.714 18156 4320 1 9 . 1 1 51 51 GLY C C 51 175.200 175.200 174.567 0.633 18156 4321 1 9 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.299 0.101 18156 4322 1 9 . 1 1 51 51 GLY H H 51 8.880 8.880 8.353 0.527 18156 4323 1 9 . 1 1 52 52 LYS N N 52 118.900 118.900 121.390 -2.490 18156 4324 1 9 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.624 -0.054 18156 4325 1 9 . 1 1 52 52 LYS C C 52 175.800 175.800 176.647 -0.847 18156 4326 1 9 . 1 1 52 52 LYS CA C 52 54.800 54.800 54.946 -0.145 18156 4327 1 9 . 1 1 52 52 LYS CB C 52 32.600 32.600 32.873 -0.273 18156 4328 1 9 . 1 1 52 52 LYS H H 52 8.110 8.110 8.054 0.056 18156 4329 1 9 . 1 1 53 53 THR N N 53 114.700 114.700 118.977 -4.277 18156 4330 1 9 . 1 1 53 53 THR HA H 53 4.180 4.180 4.321 -0.141 18156 4331 1 9 . 1 1 53 53 THR CA C 53 60.400 60.400 61.304 -0.904 18156 4332 1 9 . 1 1 53 53 THR CB C 53 69.100 69.100 68.660 0.440 18156 4333 1 9 . 1 1 53 53 THR H H 53 7.700 7.700 7.508 0.192 18156 4334 1 9 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.402 0.008 18156 4335 1 9 . 1 1 54 54 PRO C C 54 177.500 177.500 177.853 -0.353 18156 4336 1 9 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.428 0.772 18156 4337 1 9 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.423 -0.123 18156 4338 1 9 . 1 1 55 55 VAL N N 55 119.300 119.300 121.414 -2.114 18156 4339 1 9 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.716 0.284 18156 4340 1 9 . 1 1 55 55 VAL C C 55 176.000 176.000 176.914 -0.914 18156 4341 1 9 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.919 -1.619 18156 4342 1 9 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.970 0.431 18156 4343 1 9 . 1 1 55 55 VAL H H 55 8.190 8.190 8.253 -0.063 18156 4344 1 9 . 1 1 56 56 ASP N N 56 120.300 120.300 121.318 -1.018 18156 4345 1 9 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.671 -0.101 18156 4346 1 9 . 1 1 56 56 ASP C C 56 177.000 177.000 175.464 1.536 18156 4347 1 9 . 1 1 56 56 ASP CA C 56 54.300 54.300 53.419 0.881 18156 4348 1 9 . 1 1 56 56 ASP CB C 56 40.700 40.700 39.742 0.958 18156 4349 1 9 . 1 1 56 56 ASP H H 56 8.170 8.170 8.150 0.020 18156 4350 1 9 . 1 1 57 57 GLY N N 57 108.300 108.300 112.563 -4.263 18156 4351 1 9 . 1 1 57 57 GLY C C 57 173.700 173.700 173.968 -0.268 18156 4352 1 9 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.753 1.047 18156 4353 1 9 . 1 1 57 57 GLY H H 57 8.110 8.110 7.826 0.284 18156 4354 1 9 . 1 1 58 58 GLN N N 58 118.900 118.900 118.684 0.216 18156 4355 1 9 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.831 0.669 18156 4356 1 9 . 1 1 58 58 GLN C C 58 175.700 175.700 175.206 0.494 18156 4357 1 9 . 1 1 58 58 GLN CA C 58 56.200 56.200 58.112 -1.912 18156 4358 1 9 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.810 0.390 18156 4359 1 9 . 1 1 58 58 GLN H H 58 8.070 8.070 7.942 0.128 18156 4360 1 9 . 1 1 59 59 TYR N N 59 118.800 118.800 115.681 3.119 18156 4361 1 9 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.167 -0.037 18156 4362 1 9 . 1 1 59 59 TYR C C 59 177.500 177.500 174.756 2.744 18156 4363 1 9 . 1 1 59 59 TYR CA C 59 56.700 56.700 56.842 -0.142 18156 4364 1 9 . 1 1 59 59 TYR CB C 59 39.300 39.300 41.054 -1.754 18156 4365 1 9 . 1 1 59 59 TYR H H 59 8.110 8.110 7.693 0.417 18156 4366 1 9 . 1 1 60 60 VAL N N 60 115.600 115.600 117.863 -2.263 18156 4367 1 9 . 1 1 60 60 VAL HA H 60 5.500 5.500 4.867 0.633 18156 4368 1 9 . 1 1 60 60 VAL C C 60 174.700 174.700 174.407 0.293 18156 4369 1 9 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.287 -0.287 18156 4370 1 9 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.422 -0.422 18156 4371 1 9 . 1 1 60 60 VAL H H 60 8.250 8.250 8.497 -0.247 18156 4372 1 9 . 1 1 61 61 TRP N N 61 120.800 120.800 117.202 3.598 18156 4373 1 9 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.473 0.447 18156 4374 1 9 . 1 1 61 61 TRP C C 61 172.700 172.700 173.513 -0.813 18156 4375 1 9 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.965 -0.965 18156 4376 1 9 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.478 0.422 18156 4377 1 9 . 1 1 61 61 TRP H H 61 8.500 8.500 8.595 -0.095 18156 4378 1 9 . 1 1 62 62 PHE N N 62 112.100 112.100 114.170 -2.070 18156 4379 1 9 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.872 0.168 18156 4380 1 9 . 1 1 62 62 PHE C C 62 174.800 174.800 173.525 1.275 18156 4381 1 9 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.512 -1.112 18156 4382 1 9 . 1 1 62 62 PHE CB C 62 41.900 41.900 40.873 1.027 18156 4383 1 9 . 1 1 62 62 PHE H H 62 8.700 8.700 8.800 -0.100 18156 4384 1 9 . 1 1 63 63 ASN N N 63 120.800 120.800 120.098 0.702 18156 4385 1 9 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.035 0.125 18156 4386 1 9 . 1 1 63 63 ASN C C 63 175.800 175.800 175.729 0.071 18156 4387 1 9 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.650 0.450 18156 4388 1 9 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.402 1.198 18156 4389 1 9 . 1 1 63 63 ASN H H 63 9.340 9.340 8.671 0.669 18156 4390 1 9 . 1 1 64 64 ILE N N 64 113.400 113.400 115.142 -1.742 18156 4391 1 9 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.620 0.030 18156 4392 1 9 . 1 1 64 64 ILE C C 64 175.300 175.300 177.077 -1.777 18156 4393 1 9 . 1 1 64 64 ILE CA C 64 60.100 60.100 60.789 -0.689 18156 4394 1 9 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.103 1.997 18156 4395 1 9 . 1 1 64 64 ILE H H 64 7.820 7.820 8.092 -0.272 18156 4396 1 9 . 1 1 65 65 GLY N N 65 110.700 110.700 110.541 0.159 18156 4397 1 9 . 1 1 65 65 GLY C C 65 174.300 174.300 174.025 0.275 18156 4398 1 9 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.166 -0.366 18156 4399 1 9 . 1 1 65 65 GLY H H 65 8.570 8.570 8.473 0.097 18156 4400 1 9 . 1 1 66 66 SER N N 66 113.800 113.800 118.380 -4.580 18156 4401 1 9 . 1 1 66 66 SER HA H 66 4.730 4.730 4.763 -0.033 18156 4402 1 9 . 1 1 66 66 SER C C 66 175.500 175.500 175.829 -0.329 18156 4403 1 9 . 1 1 66 66 SER CA C 66 56.800 56.800 55.409 1.391 18156 4404 1 9 . 1 1 66 66 SER CB C 66 64.500 64.500 64.205 0.295 18156 4405 1 9 . 1 1 66 66 SER H H 66 7.680 7.680 7.831 -0.151 18156 4406 1 9 . 1 1 67 67 VAL N N 67 127.000 127.000 128.228 -1.228 18156 4407 1 9 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.853 -0.033 18156 4408 1 9 . 1 1 67 67 VAL C C 67 176.700 176.700 177.343 -0.643 18156 4409 1 9 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.417 1.183 18156 4410 1 9 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.721 -0.021 18156 4411 1 9 . 1 1 67 67 VAL H H 67 9.150 9.150 9.008 0.142 18156 4412 1 9 . 1 1 68 68 ASP N N 68 118.800 118.800 118.897 -0.097 18156 4413 1 9 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.737 -0.287 18156 4414 1 9 . 1 1 68 68 ASP C C 68 178.700 178.700 178.857 -0.157 18156 4415 1 9 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.584 -0.284 18156 4416 1 9 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.494 0.206 18156 4417 1 9 . 1 1 68 68 ASP H H 68 8.320 8.320 7.952 0.368 18156 4418 1 9 . 1 1 69 69 THR N N 69 114.500 114.500 117.622 -3.122 18156 4419 1 9 . 1 1 69 69 THR HA H 69 3.910 3.910 4.010 -0.100 18156 4420 1 9 . 1 1 69 69 THR C C 69 175.500 175.500 176.125 -0.625 18156 4421 1 9 . 1 1 69 69 THR CA C 69 65.600 65.600 66.136 -0.536 18156 4422 1 9 . 1 1 69 69 THR CB C 69 68.900 68.900 68.689 0.211 18156 4423 1 9 . 1 1 69 69 THR H H 69 7.710 7.710 7.368 0.342 18156 4424 1 9 . 1 1 70 70 PHE N N 70 122.800 122.800 122.683 0.117 18156 4425 1 9 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.988 0.332 18156 4426 1 9 . 1 1 70 70 PHE C C 70 176.000 176.000 176.394 -0.394 18156 4427 1 9 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.196 -0.696 18156 4428 1 9 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.746 0.354 18156 4429 1 9 . 1 1 70 70 PHE H H 70 7.680 7.680 8.062 -0.382 18156 4430 1 9 . 1 1 71 71 GLU N N 71 118.400 118.400 118.334 0.066 18156 4431 1 9 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.563 -0.193 18156 4432 1 9 . 1 1 71 71 GLU C C 71 179.900 179.900 178.915 0.985 18156 4433 1 9 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.525 0.675 18156 4434 1 9 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.219 -0.019 18156 4435 1 9 . 1 1 71 71 GLU H H 71 8.660 8.660 8.509 0.151 18156 4436 1 9 . 1 1 72 72 ARG N N 72 119.500 119.500 119.409 0.091 18156 4437 1 9 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.020 0.140 18156 4438 1 9 . 1 1 72 72 ARG C C 72 179.200 179.200 178.966 0.234 18156 4439 1 9 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.461 -0.361 18156 4440 1 9 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.263 -0.163 18156 4441 1 9 . 1 1 72 72 ARG H H 72 7.960 7.960 7.657 0.303 18156 4442 1 9 . 1 1 73 73 ASN N N 73 119.900 119.900 118.581 1.319 18156 4443 1 9 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.456 0.054 18156 4444 1 9 . 1 1 73 73 ASN C C 73 178.100 178.100 177.844 0.256 18156 4445 1 9 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.994 -0.494 18156 4446 1 9 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.513 -1.113 18156 4447 1 9 . 1 1 73 73 ASN H H 73 8.610 8.610 7.930 0.680 18156 4448 1 9 . 1 1 74 74 LEU N N 74 121.900 121.900 122.185 -0.285 18156 4449 1 9 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.273 -0.023 18156 4450 1 9 . 1 1 74 74 LEU C C 74 179.100 179.100 178.177 0.923 18156 4451 1 9 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.716 -0.416 18156 4452 1 9 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.866 -0.066 18156 4453 1 9 . 1 1 74 74 LEU H H 74 8.720 8.720 8.381 0.339 18156 4454 1 9 . 1 1 75 75 GLU N N 75 120.700 120.700 117.803 2.897 18156 4455 1 9 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.281 -0.171 18156 4456 1 9 . 1 1 75 75 GLU C C 75 178.900 178.900 179.519 -0.619 18156 4457 1 9 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.288 0.612 18156 4458 1 9 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.592 -0.292 18156 4459 1 9 . 1 1 75 75 GLU H H 75 8.070 8.070 8.139 -0.069 18156 4460 1 9 . 1 1 76 76 THR N N 76 115.700 115.700 117.429 -1.729 18156 4461 1 9 . 1 1 76 76 THR HA H 76 4.000 4.000 4.031 -0.031 18156 4462 1 9 . 1 1 76 76 THR C C 76 176.600 176.600 176.440 0.160 18156 4463 1 9 . 1 1 76 76 THR CA C 76 66.500 66.500 66.580 -0.080 18156 4464 1 9 . 1 1 76 76 THR CB C 76 69.000 69.000 68.992 0.008 18156 4465 1 9 . 1 1 76 76 THR H H 76 8.400 8.400 7.816 0.584 18156 4466 1 9 . 1 1 77 77 LEU N N 77 122.200 122.200 122.916 -0.716 18156 4467 1 9 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.137 0.123 18156 4468 1 9 . 1 1 77 77 LEU C C 77 179.200 179.200 178.480 0.720 18156 4469 1 9 . 1 1 77 77 LEU CA C 77 57.300 57.300 57.986 -0.686 18156 4470 1 9 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.786 0.114 18156 4471 1 9 . 1 1 77 77 LEU H H 77 8.330 8.330 8.050 0.280 18156 4472 1 9 . 1 1 78 78 GLN N N 78 115.700 115.700 117.603 -1.903 18156 4473 1 9 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.821 0.059 18156 4474 1 9 . 1 1 78 78 GLN C C 78 177.600 177.600 178.345 -0.745 18156 4475 1 9 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.236 2.064 18156 4476 1 9 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.562 0.838 18156 4477 1 9 . 1 1 78 78 GLN H H 78 8.200 8.200 8.478 -0.278 18156 4478 1 9 . 1 1 79 79 GLN N N 79 118.400 118.400 118.635 -0.235 18156 4479 1 9 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.015 0.125 18156 4480 1 9 . 1 1 79 79 GLN C C 79 180.000 180.000 178.448 1.552 18156 4481 1 9 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.560 0.640 18156 4482 1 9 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.631 -0.431 18156 4483 1 9 . 1 1 79 79 GLN H H 79 7.980 7.980 7.845 0.135 18156 4484 1 9 . 1 1 80 80 GLU N N 80 121.700 121.700 120.053 1.647 18156 4485 1 9 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.147 -0.097 18156 4486 1 9 . 1 1 80 80 GLU C C 80 178.800 178.800 178.288 0.512 18156 4487 1 9 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.744 0.556 18156 4488 1 9 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.804 -0.204 18156 4489 1 9 . 1 1 80 80 GLU H H 80 8.400 8.400 7.732 0.668 18156 4490 1 9 . 1 1 81 81 LEU N N 81 117.200 117.200 117.046 0.154 18156 4491 1 9 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.306 -0.006 18156 4492 1 9 . 1 1 81 81 LEU C C 81 177.400 177.400 177.641 -0.241 18156 4493 1 9 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.162 -0.062 18156 4494 1 9 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.542 0.258 18156 4495 1 9 . 1 1 81 81 LEU H H 81 8.120 8.120 8.059 0.061 18156 4496 1 9 . 1 1 82 82 GLY N N 82 108.900 108.900 106.535 2.365 18156 4497 1 9 . 1 1 82 82 GLY C C 82 174.600 174.600 174.638 -0.038 18156 4498 1 9 . 1 1 82 82 GLY CA C 82 46.300 46.300 44.913 1.387 18156 4499 1 9 . 1 1 82 82 GLY H H 82 7.840 7.840 7.757 0.083 18156 4500 1 9 . 1 1 83 83 ILE N N 83 121.900 121.900 123.099 -1.199 18156 4501 1 9 . 1 1 83 83 ILE HA H 83 4.000 4.000 4.294 -0.294 18156 4502 1 9 . 1 1 83 83 ILE C C 83 175.300 175.300 175.023 0.277 18156 4503 1 9 . 1 1 83 83 ILE CA C 83 61.500 61.500 61.067 0.433 18156 4504 1 9 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.951 0.849 18156 4505 1 9 . 1 1 83 83 ILE H H 83 8.250 8.250 7.626 0.624 18156 4506 1 9 . 1 1 84 84 GLU N N 84 126.600 126.600 125.696 0.904 18156 4507 1 9 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.669 -0.169 18156 4508 1 9 . 1 1 84 84 GLU C C 84 177.400 177.400 176.810 0.590 18156 4509 1 9 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.033 1.267 18156 4510 1 9 . 1 1 84 84 GLU CB C 84 32.600 32.600 31.469 1.131 18156 4511 1 9 . 1 1 84 84 GLU H H 84 8.760 8.760 7.681 1.079 18156 4512 1 9 . 1 1 85 85 GLY N N 85 109.400 109.400 113.297 -3.897 18156 4513 1 9 . 1 1 85 85 GLY C C 85 176.600 176.600 175.662 0.938 18156 4514 1 9 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.187 0.213 18156 4515 1 9 . 1 1 85 85 GLY H H 85 8.870 8.870 8.822 0.048 18156 4516 1 9 . 1 1 86 86 GLU N N 86 123.900 123.900 124.679 -0.779 18156 4517 1 9 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.216 0.034 18156 4518 1 9 . 1 1 86 86 GLU C C 86 176.200 176.200 176.887 -0.687 18156 4519 1 9 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.456 0.344 18156 4520 1 9 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.607 -0.507 18156 4521 1 9 . 1 1 86 86 GLU H H 86 9.240 9.240 8.493 0.747 18156 4522 1 9 . 1 1 87 87 ASN N N 87 115.900 115.900 117.457 -1.557 18156 4523 1 9 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.624 0.206 18156 4524 1 9 . 1 1 87 87 ASN C C 87 174.600 174.600 175.352 -0.752 18156 4525 1 9 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.738 -0.538 18156 4526 1 9 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.145 0.255 18156 4527 1 9 . 1 1 87 87 ASN H H 87 8.050 8.050 7.845 0.205 18156 4528 1 9 . 1 1 88 88 ARG N N 88 119.300 119.300 119.889 -0.589 18156 4529 1 9 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.272 -0.222 18156 4530 1 9 . 1 1 88 88 ARG C C 88 176.600 176.600 175.466 1.134 18156 4531 1 9 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.442 0.158 18156 4532 1 9 . 1 1 88 88 ARG CB C 88 30.600 30.600 31.142 -0.542 18156 4533 1 9 . 1 1 88 88 ARG H H 88 7.230 7.230 7.270 -0.040 18156 4534 1 9 . 1 1 89 89 VAL N N 89 124.700 124.700 121.852 2.848 18156 4535 1 9 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.305 -0.015 18156 4536 1 9 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.104 -0.104 18156 4537 1 9 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.777 1.323 18156 4538 1 9 . 1 1 89 89 VAL H H 89 8.780 8.780 8.316 0.464 18156 4539 1 9 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.436 0.074 18156 4540 1 9 . 1 1 90 90 PRO C C 90 175.100 175.100 175.758 -0.658 18156 4541 1 9 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.044 0.056 18156 4542 1 9 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.348 0.252 18156 4543 1 9 . 1 1 91 91 VAL N N 91 121.600 121.600 124.755 -3.155 18156 4544 1 9 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.384 0.426 18156 4545 1 9 . 1 1 91 91 VAL C C 91 176.100 176.100 175.831 0.269 18156 4546 1 9 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.870 -0.570 18156 4547 1 9 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.108 2.092 18156 4548 1 9 . 1 1 91 91 VAL H H 91 8.030 8.030 8.354 -0.324 18156 4549 1 9 . 1 1 92 92 VAL N N 92 124.800 124.800 128.813 -4.013 18156 4550 1 9 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.226 0.314 18156 4551 1 9 . 1 1 92 92 VAL C C 92 173.600 173.600 175.163 -1.563 18156 4552 1 9 . 1 1 92 92 VAL CA C 92 59.700 59.700 60.984 -1.284 18156 4553 1 9 . 1 1 92 92 VAL CB C 92 34.900 34.900 31.870 3.030 18156 4554 1 9 . 1 1 92 92 VAL H H 92 8.640 8.640 8.366 0.274 18156 4555 1 9 . 1 1 93 93 TYR N N 93 124.700 124.700 128.107 -3.407 18156 4556 1 9 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.328 0.602 18156 4557 1 9 . 1 1 93 93 TYR C C 93 175.700 175.700 175.932 -0.232 18156 4558 1 9 . 1 1 93 93 TYR CA C 93 57.400 57.400 59.204 -1.804 18156 4559 1 9 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.202 1.298 18156 4560 1 9 . 1 1 93 93 TYR H H 93 8.800 8.800 8.369 0.431 18156 4561 1 9 . 1 1 94 94 ILE N N 94 123.100 123.100 125.365 -2.265 18156 4562 1 9 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.365 0.145 18156 4563 1 9 . 1 1 94 94 ILE C C 94 173.700 173.700 174.705 -1.005 18156 4564 1 9 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.013 -0.813 18156 4565 1 9 . 1 1 94 94 ILE CB C 94 41.500 41.500 41.619 -0.119 18156 4566 1 9 . 1 1 94 94 ILE H H 94 9.000 9.000 8.368 0.632 18156 4567 1 9 . 1 1 95 95 ALA N N 95 128.000 128.000 128.576 -0.576 18156 4568 1 9 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.719 0.271 18156 4569 1 9 . 1 1 95 95 ALA C C 95 177.000 177.000 176.498 0.502 18156 4570 1 9 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.768 -0.268 18156 4571 1 9 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.188 1.212 18156 4572 1 9 . 1 1 95 95 ALA H H 95 8.450 8.450 8.471 -0.021 18156 4573 1 9 . 1 1 96 96 GLU N N 96 122.200 122.200 125.521 -3.321 18156 4574 1 9 . 1 1 96 96 GLU HA H 96 4.520 4.520 3.889 0.631 18156 4575 1 9 . 1 1 96 96 GLU C C 96 176.000 176.000 176.680 -0.680 18156 4576 1 9 . 1 1 96 96 GLU CA C 96 55.500 55.500 58.587 -3.087 18156 4577 1 9 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.451 2.349 18156 4578 1 9 . 1 1 96 96 GLU H H 96 8.850 8.850 8.902 -0.052 18156 4579 1 9 . 1 1 97 97 SER N N 97 118.600 118.600 110.134 8.466 18156 4580 1 9 . 1 1 97 97 SER HA H 97 4.430 4.430 4.605 -0.175 18156 4581 1 9 . 1 1 97 97 SER C C 97 174.200 174.200 174.420 -0.220 18156 4582 1 9 . 1 1 97 97 SER CA C 97 58.500 58.500 57.849 0.651 18156 4583 1 9 . 1 1 97 97 SER CB C 97 63.800 63.800 64.609 -0.809 18156 4584 1 9 . 1 1 97 97 SER H H 97 8.650 8.650 7.752 0.898 18156 4585 1 9 . 1 1 98 98 ASP N N 98 123.200 123.200 121.957 1.243 18156 4586 1 9 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.429 0.241 18156 4587 1 9 . 1 1 98 98 ASP C C 98 175.500 175.500 176.372 -0.872 18156 4588 1 9 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.604 -1.204 18156 4589 1 9 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.141 0.259 18156 4590 1 9 . 1 1 98 98 ASP H H 98 8.500 8.500 8.473 0.027 18156 4591 1 10 . 1 1 2 2 GLY CA C 2 43.500 43.500 46.572 -3.072 18156 4592 1 10 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.709 -0.119 18156 4593 1 10 . 1 1 10 10 HIS C C 10 175.500 175.500 174.949 0.551 18156 4594 1 10 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.268 0.232 18156 4595 1 10 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.516 -0.316 18156 4596 1 10 . 1 1 11 11 MET N N 11 120.900 120.900 117.794 3.106 18156 4597 1 10 . 1 1 11 11 MET HA H 11 4.290 4.290 4.235 0.055 18156 4598 1 10 . 1 1 11 11 MET C C 11 176.300 176.300 176.152 0.148 18156 4599 1 10 . 1 1 11 11 MET CA C 11 55.900 55.900 55.753 0.147 18156 4600 1 10 . 1 1 11 11 MET CB C 11 32.700 32.700 32.344 0.356 18156 4601 1 10 . 1 1 11 11 MET H H 11 8.210 8.210 8.617 -0.407 18156 4602 1 10 . 1 1 12 12 LYS N N 12 122.100 122.100 123.776 -1.676 18156 4603 1 10 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.342 -0.212 18156 4604 1 10 . 1 1 12 12 LYS C C 12 176.700 176.700 176.619 0.081 18156 4605 1 10 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.244 0.556 18156 4606 1 10 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.658 0.142 18156 4607 1 10 . 1 1 12 12 LYS H H 12 8.300 8.300 8.500 -0.200 18156 4608 1 10 . 1 1 13 13 ARG N N 13 121.500 121.500 128.338 -6.838 18156 4609 1 10 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.457 -0.187 18156 4610 1 10 . 1 1 13 13 ARG C C 13 176.200 176.200 175.400 0.800 18156 4611 1 10 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.700 -0.500 18156 4612 1 10 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.509 2.291 18156 4613 1 10 . 1 1 13 13 ARG H H 13 8.160 8.160 9.025 -0.865 18156 4614 1 10 . 1 1 14 14 SER N N 14 116.700 116.700 118.056 -1.356 18156 4615 1 10 . 1 1 14 14 SER HA H 14 4.530 4.530 4.947 -0.417 18156 4616 1 10 . 1 1 14 14 SER C C 14 173.600 173.600 174.486 -0.886 18156 4617 1 10 . 1 1 14 14 SER CA C 14 58.300 58.300 57.913 0.387 18156 4618 1 10 . 1 1 14 14 SER CB C 14 64.100 64.100 64.951 -0.851 18156 4619 1 10 . 1 1 14 14 SER H H 14 8.160 8.160 8.024 0.136 18156 4620 1 10 . 1 1 15 15 GLY N N 15 109.300 109.300 110.543 -1.243 18156 4621 1 10 . 1 1 15 15 GLY C C 15 173.000 173.000 174.398 -1.398 18156 4622 1 10 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.722 -0.022 18156 4623 1 10 . 1 1 15 15 GLY H H 15 8.100 8.100 8.477 -0.377 18156 4624 1 10 . 1 1 16 16 ARG N N 16 122.300 122.300 124.543 -2.243 18156 4625 1 10 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.738 -0.208 18156 4626 1 10 . 1 1 16 16 ARG C C 16 173.200 173.200 175.315 -2.115 18156 4627 1 10 . 1 1 16 16 ARG CA C 16 55.300 55.300 53.183 2.117 18156 4628 1 10 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.568 1.332 18156 4629 1 10 . 1 1 16 16 ARG H H 16 8.460 8.460 8.270 0.190 18156 4630 1 10 . 1 1 17 17 GLU N N 17 126.800 126.800 125.790 1.010 18156 4631 1 10 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.403 -1.183 18156 4632 1 10 . 1 1 17 17 GLU C C 17 177.000 177.000 176.640 0.360 18156 4633 1 10 . 1 1 17 17 GLU CA C 17 55.000 55.000 56.648 -1.648 18156 4634 1 10 . 1 1 17 17 GLU CB C 17 30.100 30.100 28.553 1.547 18156 4635 1 10 . 1 1 17 17 GLU H H 17 8.190 8.190 8.773 -0.583 18156 4636 1 10 . 1 1 18 18 ILE N N 18 122.600 122.600 121.423 1.177 18156 4637 1 10 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.622 0.338 18156 4638 1 10 . 1 1 18 18 ILE C C 18 174.600 174.600 175.321 -0.721 18156 4639 1 10 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.527 -0.327 18156 4640 1 10 . 1 1 18 18 ILE CB C 18 41.900 41.900 39.806 2.094 18156 4641 1 10 . 1 1 18 18 ILE H H 18 8.870 8.870 8.503 0.367 18156 4642 1 10 . 1 1 19 19 THR N N 19 108.700 108.700 110.628 -1.928 18156 4643 1 10 . 1 1 19 19 THR HA H 19 4.760 4.760 4.724 0.036 18156 4644 1 10 . 1 1 19 19 THR C C 19 175.400 175.400 175.440 -0.040 18156 4645 1 10 . 1 1 19 19 THR CA C 19 59.800 59.800 59.701 0.099 18156 4646 1 10 . 1 1 19 19 THR CB C 19 72.100 72.100 71.941 0.159 18156 4647 1 10 . 1 1 19 19 THR H H 19 8.140 8.140 8.568 -0.428 18156 4648 1 10 . 1 1 20 20 TRP N N 20 121.900 121.900 123.313 -1.413 18156 4649 1 10 . 1 1 20 20 TRP HA H 20 3.900 3.900 4.002 -0.102 18156 4650 1 10 . 1 1 20 20 TRP C C 20 176.600 176.600 177.166 -0.566 18156 4651 1 10 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.881 -0.881 18156 4652 1 10 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.692 -0.392 18156 4653 1 10 . 1 1 20 20 TRP H H 20 9.060 9.060 8.703 0.357 18156 4654 1 10 . 1 1 21 21 LYS N N 21 116.900 116.900 118.630 -1.730 18156 4655 1 10 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.902 -0.242 18156 4656 1 10 . 1 1 21 21 LYS C C 21 178.200 178.200 178.248 -0.048 18156 4657 1 10 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.428 0.272 18156 4658 1 10 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.807 0.393 18156 4659 1 10 . 1 1 21 21 LYS H H 21 8.320 8.320 7.986 0.334 18156 4660 1 10 . 1 1 22 22 ASP N N 22 119.000 119.000 119.834 -0.834 18156 4661 1 10 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.506 -0.236 18156 4662 1 10 . 1 1 22 22 ASP C C 22 178.500 178.500 178.784 -0.284 18156 4663 1 10 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.966 -0.966 18156 4664 1 10 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.734 0.566 18156 4665 1 10 . 1 1 22 22 ASP H H 22 7.670 7.670 7.593 0.077 18156 4666 1 10 . 1 1 23 23 PHE N N 23 120.000 120.000 121.095 -1.095 18156 4667 1 10 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.326 -0.076 18156 4668 1 10 . 1 1 23 23 PHE C C 23 177.500 177.500 176.686 0.814 18156 4669 1 10 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.008 -0.208 18156 4670 1 10 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.733 -1.133 18156 4671 1 10 . 1 1 23 23 PHE H H 23 8.430 8.430 7.815 0.615 18156 4672 1 10 . 1 1 24 24 VAL N N 24 120.700 120.700 118.642 2.058 18156 4673 1 10 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.939 -0.209 18156 4674 1 10 . 1 1 24 24 VAL C C 24 178.200 178.200 177.676 0.524 18156 4675 1 10 . 1 1 24 24 VAL CA C 24 66.900 66.900 67.117 -0.217 18156 4676 1 10 . 1 1 24 24 VAL CB C 24 32.100 32.100 31.242 0.858 18156 4677 1 10 . 1 1 24 24 VAL H H 24 8.250 8.250 8.023 0.227 18156 4678 1 10 . 1 1 25 25 ASN N N 25 116.700 116.700 117.524 -0.824 18156 4679 1 10 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.407 -0.207 18156 4680 1 10 . 1 1 25 25 ASN C C 25 176.200 176.200 177.961 -1.761 18156 4681 1 10 . 1 1 25 25 ASN CA C 25 56.000 56.000 56.159 -0.159 18156 4682 1 10 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.415 0.285 18156 4683 1 10 . 1 1 25 25 ASN H H 25 8.260 8.260 7.948 0.312 18156 4684 1 10 . 1 1 26 26 ASN N N 26 112.300 112.300 117.446 -5.146 18156 4685 1 10 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.428 0.172 18156 4686 1 10 . 1 1 26 26 ASN C C 26 174.500 174.500 175.611 -1.111 18156 4687 1 10 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.343 -1.743 18156 4688 1 10 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.233 0.567 18156 4689 1 10 . 1 1 26 26 ASN H H 26 8.490 8.490 8.020 0.470 18156 4690 1 10 . 1 1 27 27 TYR N N 27 113.700 113.700 116.979 -3.279 18156 4691 1 10 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.612 0.218 18156 4692 1 10 . 1 1 27 27 TYR C C 27 176.500 176.500 177.082 -0.582 18156 4693 1 10 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.657 -1.457 18156 4694 1 10 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.043 0.257 18156 4695 1 10 . 1 1 27 27 TYR H H 27 7.000 7.000 7.180 -0.180 18156 4696 1 10 . 1 1 28 28 LEU N N 28 122.700 122.700 121.425 1.275 18156 4697 1 10 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.869 -0.039 18156 4698 1 10 . 1 1 28 28 LEU C C 28 179.700 179.700 178.907 0.793 18156 4699 1 10 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.084 1.216 18156 4700 1 10 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.633 -0.233 18156 4701 1 10 . 1 1 28 28 LEU H H 28 8.180 8.180 8.099 0.081 18156 4702 1 10 . 1 1 29 29 SER N N 29 109.300 109.300 113.372 -4.072 18156 4703 1 10 . 1 1 29 29 SER HA H 29 4.120 4.120 4.177 -0.057 18156 4704 1 10 . 1 1 29 29 SER C C 29 174.000 174.000 175.744 -1.744 18156 4705 1 10 . 1 1 29 29 SER CA C 29 60.300 60.300 60.717 -0.417 18156 4706 1 10 . 1 1 29 29 SER CB C 29 63.100 63.100 62.871 0.229 18156 4707 1 10 . 1 1 29 29 SER H H 29 7.940 7.940 8.411 -0.471 18156 4708 1 10 . 1 1 30 30 LYS N N 30 117.200 117.200 119.241 -2.041 18156 4709 1 10 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.427 0.033 18156 4710 1 10 . 1 1 30 30 LYS C C 30 177.200 177.200 176.396 0.804 18156 4711 1 10 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.629 -0.829 18156 4712 1 10 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.800 0.200 18156 4713 1 10 . 1 1 30 30 LYS H H 30 6.680 6.680 7.244 -0.564 18156 4714 1 10 . 1 1 31 31 GLY N N 31 107.100 107.100 107.677 -0.577 18156 4715 1 10 . 1 1 31 31 GLY C C 31 175.700 175.700 175.599 0.101 18156 4716 1 10 . 1 1 31 31 GLY CA C 31 47.400 47.400 45.803 1.597 18156 4717 1 10 . 1 1 31 31 GLY H H 31 7.660 7.660 7.678 -0.019 18156 4718 1 10 . 1 1 32 32 VAL N N 32 107.300 107.300 113.196 -5.896 18156 4719 1 10 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.217 0.413 18156 4720 1 10 . 1 1 32 32 VAL C C 32 174.800 174.800 175.641 -0.841 18156 4721 1 10 . 1 1 32 32 VAL CA C 32 60.800 60.800 63.102 -2.303 18156 4722 1 10 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.246 -0.146 18156 4723 1 10 . 1 1 32 32 VAL H H 32 6.910 6.910 7.420 -0.510 18156 4724 1 10 . 1 1 33 33 VAL N N 33 122.000 122.000 119.183 2.817 18156 4725 1 10 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.429 -0.429 18156 4726 1 10 . 1 1 33 33 VAL C C 33 174.500 174.500 175.304 -0.804 18156 4727 1 10 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.651 1.649 18156 4728 1 10 . 1 1 33 33 VAL CB C 33 32.100 32.100 33.138 -1.038 18156 4729 1 10 . 1 1 33 33 VAL H H 33 8.180 8.180 7.275 0.905 18156 4730 1 10 . 1 1 34 34 ASP N N 34 128.200 128.200 125.939 2.261 18156 4731 1 10 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.712 0.048 18156 4732 1 10 . 1 1 34 34 ASP C C 34 175.400 175.400 175.524 -0.124 18156 4733 1 10 . 1 1 34 34 ASP CA C 34 55.300 55.300 55.642 -0.342 18156 4734 1 10 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.363 0.237 18156 4735 1 10 . 1 1 34 34 ASP H H 34 9.150 9.150 8.917 0.233 18156 4736 1 10 . 1 1 35 35 ARG N N 35 112.200 112.200 114.302 -2.102 18156 4737 1 10 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.864 -0.244 18156 4738 1 10 . 1 1 35 35 ARG C C 35 172.900 172.900 173.849 -0.949 18156 4739 1 10 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.728 0.572 18156 4740 1 10 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.512 -0.412 18156 4741 1 10 . 1 1 35 35 ARG H H 35 7.440 7.440 7.330 0.110 18156 4742 1 10 . 1 1 36 36 LEU N N 36 120.400 120.400 122.064 -1.664 18156 4743 1 10 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.155 -0.135 18156 4744 1 10 . 1 1 36 36 LEU C C 36 174.800 174.800 175.658 -0.858 18156 4745 1 10 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.529 -0.529 18156 4746 1 10 . 1 1 36 36 LEU CB C 36 43.900 43.900 44.276 -0.376 18156 4747 1 10 . 1 1 36 36 LEU H H 36 8.410 8.410 8.657 -0.247 18156 4748 1 10 . 1 1 37 37 GLU N N 37 120.800 120.800 125.274 -4.474 18156 4749 1 10 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.509 0.421 18156 4750 1 10 . 1 1 37 37 GLU C C 37 174.400 174.400 175.674 -1.274 18156 4751 1 10 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.703 -2.404 18156 4752 1 10 . 1 1 37 37 GLU CB C 37 31.700 31.700 29.913 1.787 18156 4753 1 10 . 1 1 37 37 GLU H H 37 8.470 8.470 8.514 -0.044 18156 4754 1 10 . 1 1 38 38 VAL N N 38 125.600 125.600 127.471 -1.871 18156 4755 1 10 . 1 1 38 38 VAL HA H 38 4.010 4.010 4.124 -0.114 18156 4756 1 10 . 1 1 38 38 VAL C C 38 175.500 175.500 175.026 0.474 18156 4757 1 10 . 1 1 38 38 VAL CA C 38 61.400 61.400 60.804 0.596 18156 4758 1 10 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.521 0.279 18156 4759 1 10 . 1 1 38 38 VAL H H 38 9.130 9.130 8.793 0.337 18156 4760 1 10 . 1 1 39 39 VAL N N 39 131.700 131.700 128.931 2.769 18156 4761 1 10 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.842 0.338 18156 4762 1 10 . 1 1 39 39 VAL C C 39 175.600 175.600 176.173 -0.573 18156 4763 1 10 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.082 -0.382 18156 4764 1 10 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.004 0.796 18156 4765 1 10 . 1 1 39 39 VAL H H 39 9.040 9.040 7.789 1.251 18156 4766 1 10 . 1 1 40 40 ASN N N 40 125.000 125.000 125.033 -0.033 18156 4767 1 10 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.259 0.201 18156 4768 1 10 . 1 1 40 40 ASN C C 40 173.300 173.300 174.472 -1.172 18156 4769 1 10 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.718 -0.619 18156 4770 1 10 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.502 0.498 18156 4771 1 10 . 1 1 40 40 ASN H H 40 9.060 9.060 8.998 0.062 18156 4772 1 10 . 1 1 41 41 LYS N N 41 109.900 109.900 111.710 -1.810 18156 4773 1 10 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.790 -0.550 18156 4774 1 10 . 1 1 41 41 LYS C C 41 175.000 175.000 175.586 -0.586 18156 4775 1 10 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.006 0.294 18156 4776 1 10 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.974 -0.374 18156 4777 1 10 . 1 1 41 41 LYS H H 41 9.250 9.250 7.838 1.412 18156 4778 1 10 . 1 1 42 42 ARG N N 42 115.800 115.800 117.436 -1.636 18156 4779 1 10 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.298 0.412 18156 4780 1 10 . 1 1 42 42 ARG C C 42 174.900 174.900 175.506 -0.606 18156 4781 1 10 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.533 -1.333 18156 4782 1 10 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.497 1.703 18156 4783 1 10 . 1 1 42 42 ARG H H 42 8.110 8.110 7.666 0.444 18156 4784 1 10 . 1 1 43 43 PHE N N 43 115.100 115.100 111.741 3.359 18156 4785 1 10 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.062 0.098 18156 4786 1 10 . 1 1 43 43 PHE C C 43 171.200 171.200 172.765 -1.565 18156 4787 1 10 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.937 -0.237 18156 4788 1 10 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.839 -0.739 18156 4789 1 10 . 1 1 43 43 PHE H H 43 7.610 7.610 7.337 0.273 18156 4790 1 10 . 1 1 44 44 VAL N N 44 121.200 121.200 118.780 2.420 18156 4791 1 10 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.352 0.238 18156 4792 1 10 . 1 1 44 44 VAL C C 44 174.600 174.600 175.087 -0.487 18156 4793 1 10 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.235 -0.435 18156 4794 1 10 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.046 -1.146 18156 4795 1 10 . 1 1 44 44 VAL H H 44 9.030 9.030 8.653 0.377 18156 4796 1 10 . 1 1 45 45 ARG N N 45 125.000 125.000 126.314 -1.314 18156 4797 1 10 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.681 0.279 18156 4798 1 10 . 1 1 45 45 ARG C C 45 175.400 175.400 175.474 -0.074 18156 4799 1 10 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.877 0.123 18156 4800 1 10 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.596 1.604 18156 4801 1 10 . 1 1 45 45 ARG H H 45 9.320 9.320 8.512 0.808 18156 4802 1 10 . 1 1 46 46 VAL N N 46 127.200 127.200 127.502 -0.302 18156 4803 1 10 . 1 1 46 46 VAL HA H 46 4.110 4.110 3.991 0.119 18156 4804 1 10 . 1 1 46 46 VAL C C 46 174.700 174.700 175.081 -0.381 18156 4805 1 10 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.656 -0.456 18156 4806 1 10 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.383 1.717 18156 4807 1 10 . 1 1 46 46 VAL H H 46 8.770 8.770 8.452 0.318 18156 4808 1 10 . 1 1 47 47 THR N N 47 120.800 120.800 124.097 -3.297 18156 4809 1 10 . 1 1 47 47 THR HA H 47 4.700 4.700 4.337 0.363 18156 4810 1 10 . 1 1 47 47 THR C C 47 174.500 174.500 173.742 0.758 18156 4811 1 10 . 1 1 47 47 THR CA C 47 61.300 61.300 62.152 -0.852 18156 4812 1 10 . 1 1 47 47 THR CB C 47 69.800 69.800 69.562 0.238 18156 4813 1 10 . 1 1 47 47 THR H H 47 8.110 8.110 8.159 -0.049 18156 4814 1 10 . 1 1 48 48 PHE N N 48 125.700 125.700 126.249 -0.549 18156 4815 1 10 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.189 0.161 18156 4816 1 10 . 1 1 48 48 PHE C C 48 176.000 176.000 177.059 -1.059 18156 4817 1 10 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.501 -0.201 18156 4818 1 10 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.144 1.256 18156 4819 1 10 . 1 1 48 48 PHE H H 48 9.000 9.000 8.712 0.288 18156 4820 1 10 . 1 1 49 49 THR N N 49 118.900 118.900 118.730 0.170 18156 4821 1 10 . 1 1 49 49 THR HA H 49 4.330 4.330 4.614 -0.284 18156 4822 1 10 . 1 1 49 49 THR CA C 49 61.200 61.200 59.556 1.644 18156 4823 1 10 . 1 1 49 49 THR CB C 49 69.400 69.400 69.882 -0.482 18156 4824 1 10 . 1 1 49 49 THR H H 49 8.620 8.620 8.635 -0.015 18156 4825 1 10 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.277 0.083 18156 4826 1 10 . 1 1 50 50 PRO C C 50 177.700 177.700 177.469 0.231 18156 4827 1 10 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.550 -0.050 18156 4828 1 10 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.657 0.143 18156 4829 1 10 . 1 1 51 51 GLY N N 51 111.300 111.300 110.967 0.333 18156 4830 1 10 . 1 1 51 51 GLY C C 51 175.200 175.200 175.032 0.168 18156 4831 1 10 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.691 -0.291 18156 4832 1 10 . 1 1 51 51 GLY H H 51 8.880 8.880 8.823 0.057 18156 4833 1 10 . 1 1 52 52 LYS N N 52 118.900 118.900 120.365 -1.465 18156 4834 1 10 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.508 0.062 18156 4835 1 10 . 1 1 52 52 LYS C C 52 175.800 175.800 176.398 -0.598 18156 4836 1 10 . 1 1 52 52 LYS CA C 52 54.800 54.800 56.043 -1.243 18156 4837 1 10 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.802 -1.202 18156 4838 1 10 . 1 1 52 52 LYS H H 52 8.110 8.110 7.833 0.277 18156 4839 1 10 . 1 1 53 53 THR N N 53 114.700 114.700 118.218 -3.518 18156 4840 1 10 . 1 1 53 53 THR HA H 53 4.180 4.180 4.304 -0.124 18156 4841 1 10 . 1 1 53 53 THR CA C 53 60.400 60.400 61.251 -0.850 18156 4842 1 10 . 1 1 53 53 THR CB C 53 69.100 69.100 68.873 0.228 18156 4843 1 10 . 1 1 53 53 THR H H 53 7.700 7.700 7.552 0.148 18156 4844 1 10 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.462 -0.052 18156 4845 1 10 . 1 1 54 54 PRO C C 54 177.500 177.500 177.064 0.436 18156 4846 1 10 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.588 0.612 18156 4847 1 10 . 1 1 54 54 PRO CB C 54 32.300 32.300 31.143 1.157 18156 4848 1 10 . 1 1 55 55 VAL N N 55 119.300 119.300 123.515 -4.215 18156 4849 1 10 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.805 0.195 18156 4850 1 10 . 1 1 55 55 VAL C C 55 176.000 176.000 176.046 -0.046 18156 4851 1 10 . 1 1 55 55 VAL CA C 55 63.300 63.300 63.873 -0.573 18156 4852 1 10 . 1 1 55 55 VAL CB C 55 32.400 32.400 32.144 0.257 18156 4853 1 10 . 1 1 55 55 VAL H H 55 8.190 8.190 8.376 -0.186 18156 4854 1 10 . 1 1 56 56 ASP N N 56 120.300 120.300 117.806 2.494 18156 4855 1 10 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.508 0.062 18156 4856 1 10 . 1 1 56 56 ASP C C 56 177.000 177.000 176.887 0.113 18156 4857 1 10 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.346 -0.046 18156 4858 1 10 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.805 -0.105 18156 4859 1 10 . 1 1 56 56 ASP H H 56 8.170 8.170 8.132 0.038 18156 4860 1 10 . 1 1 57 57 GLY N N 57 108.300 108.300 109.087 -0.787 18156 4861 1 10 . 1 1 57 57 GLY C C 57 173.700 173.700 173.078 0.622 18156 4862 1 10 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.896 0.904 18156 4863 1 10 . 1 1 57 57 GLY H H 57 8.110 8.110 7.780 0.330 18156 4864 1 10 . 1 1 58 58 GLN N N 58 118.900 118.900 124.101 -5.201 18156 4865 1 10 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.992 -0.492 18156 4866 1 10 . 1 1 58 58 GLN C C 58 175.700 175.700 174.407 1.293 18156 4867 1 10 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.544 1.656 18156 4868 1 10 . 1 1 58 58 GLN CB C 58 30.200 30.200 30.214 -0.014 18156 4869 1 10 . 1 1 58 58 GLN H H 58 8.070 8.070 8.056 0.014 18156 4870 1 10 . 1 1 59 59 TYR N N 59 118.800 118.800 124.694 -5.894 18156 4871 1 10 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.850 0.280 18156 4872 1 10 . 1 1 59 59 TYR C C 59 177.500 177.500 175.324 2.176 18156 4873 1 10 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.436 -0.736 18156 4874 1 10 . 1 1 59 59 TYR CB C 59 39.300 39.300 40.056 -0.756 18156 4875 1 10 . 1 1 59 59 TYR H H 59 8.110 8.110 9.021 -0.911 18156 4876 1 10 . 1 1 60 60 VAL N N 60 115.600 115.600 117.708 -2.108 18156 4877 1 10 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.325 0.175 18156 4878 1 10 . 1 1 60 60 VAL C C 60 174.700 174.700 174.915 -0.215 18156 4879 1 10 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.028 -0.028 18156 4880 1 10 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.594 0.406 18156 4881 1 10 . 1 1 60 60 VAL H H 60 8.250 8.250 8.548 -0.298 18156 4882 1 10 . 1 1 61 61 TRP N N 61 120.800 120.800 121.730 -0.930 18156 4883 1 10 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.498 0.422 18156 4884 1 10 . 1 1 61 61 TRP C C 61 172.700 172.700 173.527 -0.827 18156 4885 1 10 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.563 -0.563 18156 4886 1 10 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.724 0.176 18156 4887 1 10 . 1 1 61 61 TRP H H 61 8.500 8.500 8.880 -0.380 18156 4888 1 10 . 1 1 62 62 PHE N N 62 112.100 112.100 114.295 -2.195 18156 4889 1 10 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.784 0.256 18156 4890 1 10 . 1 1 62 62 PHE C C 62 174.800 174.800 173.507 1.293 18156 4891 1 10 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.577 -1.177 18156 4892 1 10 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.155 0.745 18156 4893 1 10 . 1 1 62 62 PHE H H 62 8.700 8.700 8.692 0.008 18156 4894 1 10 . 1 1 63 63 ASN N N 63 120.800 120.800 120.379 0.421 18156 4895 1 10 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.246 -0.086 18156 4896 1 10 . 1 1 63 63 ASN C C 63 175.800 175.800 175.395 0.405 18156 4897 1 10 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.405 0.695 18156 4898 1 10 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.837 0.763 18156 4899 1 10 . 1 1 63 63 ASN H H 63 9.340 9.340 8.888 0.452 18156 4900 1 10 . 1 1 64 64 ILE N N 64 113.400 113.400 122.373 -8.973 18156 4901 1 10 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.530 0.120 18156 4902 1 10 . 1 1 64 64 ILE C C 64 175.300 175.300 175.776 -0.476 18156 4903 1 10 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.110 -1.010 18156 4904 1 10 . 1 1 64 64 ILE CB C 64 42.100 42.100 37.505 4.595 18156 4905 1 10 . 1 1 64 64 ILE H H 64 7.820 7.820 7.806 0.014 18156 4906 1 10 . 1 1 65 65 GLY N N 65 110.700 110.700 114.367 -3.667 18156 4907 1 10 . 1 1 65 65 GLY C C 65 174.300 174.300 174.993 -0.693 18156 4908 1 10 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.071 -0.271 18156 4909 1 10 . 1 1 65 65 GLY H H 65 8.570 8.570 8.813 -0.243 18156 4910 1 10 . 1 1 66 66 SER N N 66 113.800 113.800 115.468 -1.668 18156 4911 1 10 . 1 1 66 66 SER HA H 66 4.730 4.730 4.777 -0.047 18156 4912 1 10 . 1 1 66 66 SER C C 66 175.500 175.500 174.875 0.625 18156 4913 1 10 . 1 1 66 66 SER CA C 66 56.800 56.800 56.547 0.253 18156 4914 1 10 . 1 1 66 66 SER CB C 66 64.500 64.500 64.394 0.106 18156 4915 1 10 . 1 1 66 66 SER H H 66 7.680 7.680 7.673 0.007 18156 4916 1 10 . 1 1 67 67 VAL N N 67 127.000 127.000 128.595 -1.595 18156 4917 1 10 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.785 0.035 18156 4918 1 10 . 1 1 67 67 VAL C C 67 176.700 176.700 177.087 -0.387 18156 4919 1 10 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.614 0.986 18156 4920 1 10 . 1 1 67 67 VAL CB C 67 31.700 31.700 32.041 -0.341 18156 4921 1 10 . 1 1 67 67 VAL H H 67 9.150 9.150 8.874 0.276 18156 4922 1 10 . 1 1 68 68 ASP N N 68 118.800 118.800 118.654 0.146 18156 4923 1 10 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.383 0.067 18156 4924 1 10 . 1 1 68 68 ASP C C 68 178.700 178.700 178.081 0.619 18156 4925 1 10 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.468 -0.168 18156 4926 1 10 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.767 -0.068 18156 4927 1 10 . 1 1 68 68 ASP H H 68 8.320 8.320 8.159 0.161 18156 4928 1 10 . 1 1 69 69 THR N N 69 114.500 114.500 116.864 -2.364 18156 4929 1 10 . 1 1 69 69 THR HA H 69 3.910 3.910 3.910 -0.000 18156 4930 1 10 . 1 1 69 69 THR C C 69 175.500 175.500 176.245 -0.745 18156 4931 1 10 . 1 1 69 69 THR CA C 69 65.600 65.600 65.814 -0.214 18156 4932 1 10 . 1 1 69 69 THR CB C 69 68.900 68.900 68.805 0.095 18156 4933 1 10 . 1 1 69 69 THR H H 69 7.710 7.710 7.299 0.411 18156 4934 1 10 . 1 1 70 70 PHE N N 70 122.800 122.800 122.183 0.617 18156 4935 1 10 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.619 0.701 18156 4936 1 10 . 1 1 70 70 PHE C C 70 176.000 176.000 176.972 -0.972 18156 4937 1 10 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.118 -0.618 18156 4938 1 10 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.001 0.099 18156 4939 1 10 . 1 1 70 70 PHE H H 70 7.680 7.680 8.026 -0.346 18156 4940 1 10 . 1 1 71 71 GLU N N 71 118.400 118.400 118.802 -0.402 18156 4941 1 10 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.639 -0.269 18156 4942 1 10 . 1 1 71 71 GLU C C 71 179.900 179.900 179.127 0.773 18156 4943 1 10 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.769 0.431 18156 4944 1 10 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.552 -0.352 18156 4945 1 10 . 1 1 71 71 GLU H H 71 8.660 8.660 8.235 0.425 18156 4946 1 10 . 1 1 72 72 ARG N N 72 119.500 119.500 118.601 0.899 18156 4947 1 10 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.058 0.102 18156 4948 1 10 . 1 1 72 72 ARG C C 72 179.200 179.200 179.025 0.175 18156 4949 1 10 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.367 -0.267 18156 4950 1 10 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.132 -0.032 18156 4951 1 10 . 1 1 72 72 ARG H H 72 7.960 7.960 7.884 0.076 18156 4952 1 10 . 1 1 73 73 ASN N N 73 119.900 119.900 118.742 1.158 18156 4953 1 10 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.571 -0.061 18156 4954 1 10 . 1 1 73 73 ASN C C 73 178.100 178.100 177.566 0.534 18156 4955 1 10 . 1 1 73 73 ASN CA C 73 55.500 55.500 56.434 -0.934 18156 4956 1 10 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.682 -1.282 18156 4957 1 10 . 1 1 73 73 ASN H H 73 8.610 8.610 7.898 0.712 18156 4958 1 10 . 1 1 74 74 LEU N N 74 121.900 121.900 122.603 -0.703 18156 4959 1 10 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.320 -0.070 18156 4960 1 10 . 1 1 74 74 LEU C C 74 179.100 179.100 178.560 0.540 18156 4961 1 10 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.537 -0.237 18156 4962 1 10 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.795 0.005 18156 4963 1 10 . 1 1 74 74 LEU H H 74 8.720 8.720 8.103 0.617 18156 4964 1 10 . 1 1 75 75 GLU N N 75 120.700 120.700 117.668 3.032 18156 4965 1 10 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.995 0.115 18156 4966 1 10 . 1 1 75 75 GLU C C 75 178.900 178.900 179.273 -0.373 18156 4967 1 10 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.438 0.462 18156 4968 1 10 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.936 0.364 18156 4969 1 10 . 1 1 75 75 GLU H H 75 8.070 8.070 8.312 -0.242 18156 4970 1 10 . 1 1 76 76 THR N N 76 115.700 115.700 117.418 -1.718 18156 4971 1 10 . 1 1 76 76 THR HA H 76 4.000 4.000 4.070 -0.070 18156 4972 1 10 . 1 1 76 76 THR C C 76 176.600 176.600 176.582 0.018 18156 4973 1 10 . 1 1 76 76 THR CA C 76 66.500 66.500 66.488 0.012 18156 4974 1 10 . 1 1 76 76 THR CB C 76 69.000 69.000 68.725 0.275 18156 4975 1 10 . 1 1 76 76 THR H H 76 8.400 8.400 7.663 0.737 18156 4976 1 10 . 1 1 77 77 LEU N N 77 122.200 122.200 121.556 0.644 18156 4977 1 10 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.971 0.289 18156 4978 1 10 . 1 1 77 77 LEU C C 77 179.200 179.200 179.114 0.086 18156 4979 1 10 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.283 -0.984 18156 4980 1 10 . 1 1 77 77 LEU CB C 77 41.900 41.900 40.755 1.145 18156 4981 1 10 . 1 1 77 77 LEU H H 77 8.330 8.330 8.461 -0.131 18156 4982 1 10 . 1 1 78 78 GLN N N 78 115.700 115.700 117.128 -1.428 18156 4983 1 10 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.856 0.024 18156 4984 1 10 . 1 1 78 78 GLN C C 78 177.600 177.600 178.510 -0.910 18156 4985 1 10 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.160 2.140 18156 4986 1 10 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.471 0.929 18156 4987 1 10 . 1 1 78 78 GLN H H 78 8.200 8.200 8.200 -0.000 18156 4988 1 10 . 1 1 79 79 GLN N N 79 118.400 118.400 119.037 -0.637 18156 4989 1 10 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.000 0.140 18156 4990 1 10 . 1 1 79 79 GLN C C 79 180.000 180.000 178.824 1.176 18156 4991 1 10 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.967 0.233 18156 4992 1 10 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.660 -0.459 18156 4993 1 10 . 1 1 79 79 GLN H H 79 7.980 7.980 7.961 0.019 18156 4994 1 10 . 1 1 80 80 GLU N N 80 121.700 121.700 119.274 2.426 18156 4995 1 10 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.130 -0.080 18156 4996 1 10 . 1 1 80 80 GLU C C 80 178.800 178.800 178.788 0.012 18156 4997 1 10 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.470 0.830 18156 4998 1 10 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.439 0.161 18156 4999 1 10 . 1 1 80 80 GLU H H 80 8.400 8.400 7.863 0.537 18156 5000 1 10 . 1 1 81 81 LEU N N 81 117.200 117.200 116.901 0.299 18156 5001 1 10 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.272 0.028 18156 5002 1 10 . 1 1 81 81 LEU C C 81 177.400 177.400 178.080 -0.680 18156 5003 1 10 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.337 -0.237 18156 5004 1 10 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.353 0.447 18156 5005 1 10 . 1 1 81 81 LEU H H 81 8.120 8.120 8.115 0.005 18156 5006 1 10 . 1 1 82 82 GLY N N 82 108.900 108.900 106.858 2.042 18156 5007 1 10 . 1 1 82 82 GLY C C 82 174.600 174.600 174.684 -0.084 18156 5008 1 10 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.244 1.056 18156 5009 1 10 . 1 1 82 82 GLY H H 82 7.840 7.840 7.565 0.275 18156 5010 1 10 . 1 1 83 83 ILE N N 83 121.900 121.900 123.241 -1.341 18156 5011 1 10 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.853 0.147 18156 5012 1 10 . 1 1 83 83 ILE C C 83 175.300 175.300 174.927 0.373 18156 5013 1 10 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.608 -1.108 18156 5014 1 10 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.670 1.130 18156 5015 1 10 . 1 1 83 83 ILE H H 83 8.250 8.250 7.735 0.515 18156 5016 1 10 . 1 1 84 84 GLU N N 84 126.600 126.600 125.135 1.465 18156 5017 1 10 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.650 -0.150 18156 5018 1 10 . 1 1 84 84 GLU C C 84 177.400 177.400 176.771 0.629 18156 5019 1 10 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.649 0.651 18156 5020 1 10 . 1 1 84 84 GLU CB C 84 32.600 32.600 33.662 -1.062 18156 5021 1 10 . 1 1 84 84 GLU H H 84 8.760 8.760 7.758 1.002 18156 5022 1 10 . 1 1 85 85 GLY N N 85 109.400 109.400 112.108 -2.708 18156 5023 1 10 . 1 1 85 85 GLY C C 85 176.600 176.600 175.278 1.322 18156 5024 1 10 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.445 -0.045 18156 5025 1 10 . 1 1 85 85 GLY H H 85 8.870 8.870 8.840 0.030 18156 5026 1 10 . 1 1 86 86 GLU N N 86 123.900 123.900 123.851 0.049 18156 5027 1 10 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.281 -0.031 18156 5028 1 10 . 1 1 86 86 GLU C C 86 176.200 176.200 177.729 -1.529 18156 5029 1 10 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.695 0.105 18156 5030 1 10 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.952 -0.852 18156 5031 1 10 . 1 1 86 86 GLU H H 86 9.240 9.240 8.566 0.674 18156 5032 1 10 . 1 1 87 87 ASN N N 87 115.900 115.900 116.485 -0.585 18156 5033 1 10 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.635 0.195 18156 5034 1 10 . 1 1 87 87 ASN C C 87 174.600 174.600 175.572 -0.972 18156 5035 1 10 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.335 -0.135 18156 5036 1 10 . 1 1 87 87 ASN CB C 87 39.400 39.400 38.984 0.416 18156 5037 1 10 . 1 1 87 87 ASN H H 87 8.050 8.050 7.790 0.260 18156 5038 1 10 . 1 1 88 88 ARG N N 88 119.300 119.300 119.688 -0.388 18156 5039 1 10 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.128 -0.078 18156 5040 1 10 . 1 1 88 88 ARG C C 88 176.600 176.600 175.712 0.888 18156 5041 1 10 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.866 -0.266 18156 5042 1 10 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.852 -0.252 18156 5043 1 10 . 1 1 88 88 ARG H H 88 7.230 7.230 7.331 -0.101 18156 5044 1 10 . 1 1 89 89 VAL N N 89 124.700 124.700 124.987 -0.287 18156 5045 1 10 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.658 -0.368 18156 5046 1 10 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.542 0.458 18156 5047 1 10 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.770 1.331 18156 5048 1 10 . 1 1 89 89 VAL H H 89 8.780 8.780 8.590 0.190 18156 5049 1 10 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.542 -0.032 18156 5050 1 10 . 1 1 90 90 PRO C C 90 175.100 175.100 175.160 -0.060 18156 5051 1 10 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.372 0.728 18156 5052 1 10 . 1 1 90 90 PRO CB C 90 32.600 32.600 33.082 -0.482 18156 5053 1 10 . 1 1 91 91 VAL N N 91 121.600 121.600 121.996 -0.396 18156 5054 1 10 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.406 0.404 18156 5055 1 10 . 1 1 91 91 VAL C C 91 176.100 176.100 176.067 0.033 18156 5056 1 10 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.912 -0.612 18156 5057 1 10 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.687 1.513 18156 5058 1 10 . 1 1 91 91 VAL H H 91 8.030 8.030 8.336 -0.306 18156 5059 1 10 . 1 1 92 92 VAL N N 92 124.800 124.800 129.198 -4.398 18156 5060 1 10 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.212 0.328 18156 5061 1 10 . 1 1 92 92 VAL C C 92 173.600 173.600 174.817 -1.217 18156 5062 1 10 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.236 -1.536 18156 5063 1 10 . 1 1 92 92 VAL CB C 92 34.900 34.900 31.765 3.135 18156 5064 1 10 . 1 1 92 92 VAL H H 92 8.640 8.640 8.726 -0.086 18156 5065 1 10 . 1 1 93 93 TYR N N 93 124.700 124.700 127.894 -3.194 18156 5066 1 10 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.516 0.414 18156 5067 1 10 . 1 1 93 93 TYR C C 93 175.700 175.700 176.069 -0.369 18156 5068 1 10 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.512 -1.112 18156 5069 1 10 . 1 1 93 93 TYR CB C 93 38.500 38.500 36.810 1.690 18156 5070 1 10 . 1 1 93 93 TYR H H 93 8.800 8.800 8.371 0.429 18156 5071 1 10 . 1 1 94 94 ILE N N 94 123.100 123.100 124.985 -1.885 18156 5072 1 10 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.154 0.356 18156 5073 1 10 . 1 1 94 94 ILE C C 94 173.700 173.700 174.860 -1.160 18156 5074 1 10 . 1 1 94 94 ILE CA C 94 59.200 59.200 61.005 -1.805 18156 5075 1 10 . 1 1 94 94 ILE CB C 94 41.500 41.500 38.879 2.621 18156 5076 1 10 . 1 1 94 94 ILE H H 94 9.000 9.000 8.122 0.878 18156 5077 1 10 . 1 1 95 95 ALA N N 95 128.000 128.000 130.869 -2.869 18156 5078 1 10 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.896 0.094 18156 5079 1 10 . 1 1 95 95 ALA C C 95 177.000 177.000 177.986 -0.986 18156 5080 1 10 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.605 -0.105 18156 5081 1 10 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.086 1.314 18156 5082 1 10 . 1 1 95 95 ALA H H 95 8.450 8.450 8.615 -0.165 18156 5083 1 10 . 1 1 96 96 GLU N N 96 122.200 122.200 124.157 -1.957 18156 5084 1 10 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.147 0.373 18156 5085 1 10 . 1 1 96 96 GLU C C 96 176.000 176.000 176.723 -0.723 18156 5086 1 10 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.939 -1.439 18156 5087 1 10 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.123 2.677 18156 5088 1 10 . 1 1 96 96 GLU H H 96 8.850 8.850 8.542 0.308 18156 5089 1 10 . 1 1 97 97 SER N N 97 118.600 118.600 115.398 3.202 18156 5090 1 10 . 1 1 97 97 SER HA H 97 4.430 4.430 4.296 0.134 18156 5091 1 10 . 1 1 97 97 SER C C 97 174.200 174.200 173.924 0.276 18156 5092 1 10 . 1 1 97 97 SER CA C 97 58.500 58.500 58.375 0.125 18156 5093 1 10 . 1 1 97 97 SER CB C 97 63.800 63.800 63.350 0.450 18156 5094 1 10 . 1 1 97 97 SER H H 97 8.650 8.650 7.949 0.701 18156 5095 1 10 . 1 1 98 98 ASP N N 98 123.200 123.200 123.455 -0.255 18156 5096 1 10 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.529 0.141 18156 5097 1 10 . 1 1 98 98 ASP C C 98 175.500 175.500 177.142 -1.642 18156 5098 1 10 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.893 -0.493 18156 5099 1 10 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.136 0.264 18156 5100 1 10 . 1 1 98 98 ASP H H 98 8.500 8.500 8.416 0.084 18156 5101 1 11 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.664 -1.164 18156 5102 1 11 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.294 0.296 18156 5103 1 11 . 1 1 10 10 HIS C C 10 175.500 175.500 175.783 -0.283 18156 5104 1 11 . 1 1 10 10 HIS CA C 10 56.500 56.500 57.087 -0.587 18156 5105 1 11 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.449 -0.249 18156 5106 1 11 . 1 1 11 11 MET N N 11 120.900 120.900 126.641 -5.741 18156 5107 1 11 . 1 1 11 11 MET HA H 11 4.290 4.290 4.216 0.074 18156 5108 1 11 . 1 1 11 11 MET C C 11 176.300 176.300 176.344 -0.044 18156 5109 1 11 . 1 1 11 11 MET CA C 11 55.900 55.900 55.198 0.702 18156 5110 1 11 . 1 1 11 11 MET CB C 11 32.700 32.700 32.101 0.599 18156 5111 1 11 . 1 1 11 11 MET H H 11 8.210 8.210 8.153 0.057 18156 5112 1 11 . 1 1 12 12 LYS N N 12 122.100 122.100 127.599 -5.499 18156 5113 1 11 . 1 1 12 12 LYS HA H 12 4.130 4.130 3.839 0.291 18156 5114 1 11 . 1 1 12 12 LYS C C 12 176.700 176.700 177.785 -1.085 18156 5115 1 11 . 1 1 12 12 LYS CA C 12 56.800 56.800 58.545 -1.746 18156 5116 1 11 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.740 0.060 18156 5117 1 11 . 1 1 12 12 LYS H H 12 8.300 8.300 8.665 -0.365 18156 5118 1 11 . 1 1 13 13 ARG N N 13 121.500 121.500 116.753 4.747 18156 5119 1 11 . 1 1 13 13 ARG HA H 13 4.270 4.270 3.976 0.294 18156 5120 1 11 . 1 1 13 13 ARG C C 13 176.200 176.200 175.832 0.368 18156 5121 1 11 . 1 1 13 13 ARG CA C 13 56.200 56.200 58.544 -2.345 18156 5122 1 11 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.772 2.028 18156 5123 1 11 . 1 1 13 13 ARG H H 13 8.160 8.160 8.459 -0.299 18156 5124 1 11 . 1 1 14 14 SER N N 14 116.700 116.700 113.125 3.575 18156 5125 1 11 . 1 1 14 14 SER HA H 14 4.530 4.530 4.011 0.519 18156 5126 1 11 . 1 1 14 14 SER C C 14 173.600 173.600 173.249 0.351 18156 5127 1 11 . 1 1 14 14 SER CA C 14 58.300 58.300 58.270 0.030 18156 5128 1 11 . 1 1 14 14 SER CB C 14 64.100 64.100 63.739 0.361 18156 5129 1 11 . 1 1 14 14 SER H H 14 8.160 8.160 8.450 -0.290 18156 5130 1 11 . 1 1 15 15 GLY N N 15 109.300 109.300 111.257 -1.957 18156 5131 1 11 . 1 1 15 15 GLY C C 15 173.000 173.000 173.089 -0.089 18156 5132 1 11 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.764 -0.064 18156 5133 1 11 . 1 1 15 15 GLY H H 15 8.100 8.100 7.949 0.151 18156 5134 1 11 . 1 1 16 16 ARG N N 16 122.300 122.300 123.860 -1.560 18156 5135 1 11 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.614 -0.084 18156 5136 1 11 . 1 1 16 16 ARG C C 16 173.200 173.200 175.332 -2.132 18156 5137 1 11 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.481 -0.181 18156 5138 1 11 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.721 1.179 18156 5139 1 11 . 1 1 16 16 ARG H H 16 8.460 8.460 8.482 -0.022 18156 5140 1 11 . 1 1 17 17 GLU N N 17 126.800 126.800 127.625 -0.825 18156 5141 1 11 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.011 -0.791 18156 5142 1 11 . 1 1 17 17 GLU C C 17 177.000 177.000 176.210 0.790 18156 5143 1 11 . 1 1 17 17 GLU CA C 17 55.000 55.000 56.158 -1.158 18156 5144 1 11 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.838 0.262 18156 5145 1 11 . 1 1 17 17 GLU H H 17 8.190 8.190 8.636 -0.446 18156 5146 1 11 . 1 1 18 18 ILE N N 18 122.600 122.600 121.655 0.945 18156 5147 1 11 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.974 -0.014 18156 5148 1 11 . 1 1 18 18 ILE C C 18 174.600 174.600 174.899 -0.299 18156 5149 1 11 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.625 0.575 18156 5150 1 11 . 1 1 18 18 ILE CB C 18 41.900 41.900 42.054 -0.154 18156 5151 1 11 . 1 1 18 18 ILE H H 18 8.870 8.870 8.576 0.294 18156 5152 1 11 . 1 1 19 19 THR N N 19 108.700 108.700 111.431 -2.731 18156 5153 1 11 . 1 1 19 19 THR HA H 19 4.760 4.760 4.698 0.062 18156 5154 1 11 . 1 1 19 19 THR C C 19 175.400 175.400 175.595 -0.195 18156 5155 1 11 . 1 1 19 19 THR CA C 19 59.800 59.800 60.438 -0.638 18156 5156 1 11 . 1 1 19 19 THR CB C 19 72.100 72.100 71.312 0.788 18156 5157 1 11 . 1 1 19 19 THR H H 19 8.140 8.140 8.554 -0.414 18156 5158 1 11 . 1 1 20 20 TRP N N 20 121.900 121.900 125.912 -4.012 18156 5159 1 11 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.892 0.008 18156 5160 1 11 . 1 1 20 20 TRP C C 20 176.600 176.600 177.283 -0.683 18156 5161 1 11 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.944 -0.944 18156 5162 1 11 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.538 -0.239 18156 5163 1 11 . 1 1 20 20 TRP H H 20 9.060 9.060 8.811 0.249 18156 5164 1 11 . 1 1 21 21 LYS N N 21 116.900 116.900 118.916 -2.016 18156 5165 1 11 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.746 -0.086 18156 5166 1 11 . 1 1 21 21 LYS C C 21 178.200 178.200 177.959 0.241 18156 5167 1 11 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.839 -0.139 18156 5168 1 11 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.907 0.294 18156 5169 1 11 . 1 1 21 21 LYS H H 21 8.320 8.320 8.187 0.133 18156 5170 1 11 . 1 1 22 22 ASP N N 22 119.000 119.000 118.329 0.671 18156 5171 1 11 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.260 0.010 18156 5172 1 11 . 1 1 22 22 ASP C C 22 178.500 178.500 178.148 0.352 18156 5173 1 11 . 1 1 22 22 ASP CA C 22 57.000 57.000 56.661 0.339 18156 5174 1 11 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.322 0.978 18156 5175 1 11 . 1 1 22 22 ASP H H 22 7.670 7.670 7.703 -0.033 18156 5176 1 11 . 1 1 23 23 PHE N N 23 120.000 120.000 121.323 -1.323 18156 5177 1 11 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.234 0.016 18156 5178 1 11 . 1 1 23 23 PHE C C 23 177.500 177.500 176.784 0.716 18156 5179 1 11 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.080 -0.280 18156 5180 1 11 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.998 -1.397 18156 5181 1 11 . 1 1 23 23 PHE H H 23 8.430 8.430 7.857 0.573 18156 5182 1 11 . 1 1 24 24 VAL N N 24 120.700 120.700 118.250 2.450 18156 5183 1 11 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.938 -0.208 18156 5184 1 11 . 1 1 24 24 VAL C C 24 178.200 178.200 177.530 0.670 18156 5185 1 11 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.481 0.419 18156 5186 1 11 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.641 1.459 18156 5187 1 11 . 1 1 24 24 VAL H H 24 8.250 8.250 7.709 0.541 18156 5188 1 11 . 1 1 25 25 ASN N N 25 116.700 116.700 117.027 -0.327 18156 5189 1 11 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.288 -0.088 18156 5190 1 11 . 1 1 25 25 ASN C C 25 176.200 176.200 177.399 -1.199 18156 5191 1 11 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.869 0.131 18156 5192 1 11 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.029 0.671 18156 5193 1 11 . 1 1 25 25 ASN H H 25 8.260 8.260 7.792 0.468 18156 5194 1 11 . 1 1 26 26 ASN N N 26 112.300 112.300 118.220 -5.920 18156 5195 1 11 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.389 0.211 18156 5196 1 11 . 1 1 26 26 ASN C C 26 174.500 174.500 176.221 -1.721 18156 5197 1 11 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.444 -1.845 18156 5198 1 11 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.434 0.366 18156 5199 1 11 . 1 1 26 26 ASN H H 26 8.490 8.490 7.970 0.520 18156 5200 1 11 . 1 1 27 27 TYR N N 27 113.700 113.700 116.608 -2.908 18156 5201 1 11 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.671 0.159 18156 5202 1 11 . 1 1 27 27 TYR C C 27 176.500 176.500 177.174 -0.674 18156 5203 1 11 . 1 1 27 27 TYR CA C 27 58.200 58.200 58.607 -0.407 18156 5204 1 11 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.137 0.163 18156 5205 1 11 . 1 1 27 27 TYR H H 27 7.000 7.000 7.409 -0.409 18156 5206 1 11 . 1 1 28 28 LEU N N 28 122.700 122.700 120.982 1.718 18156 5207 1 11 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.878 -0.048 18156 5208 1 11 . 1 1 28 28 LEU C C 28 179.700 179.700 179.095 0.605 18156 5209 1 11 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.684 0.616 18156 5210 1 11 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.513 -0.113 18156 5211 1 11 . 1 1 28 28 LEU H H 28 8.180 8.180 7.767 0.413 18156 5212 1 11 . 1 1 29 29 SER N N 29 109.300 109.300 114.373 -5.073 18156 5213 1 11 . 1 1 29 29 SER HA H 29 4.120 4.120 4.268 -0.148 18156 5214 1 11 . 1 1 29 29 SER C C 29 174.000 174.000 175.304 -1.304 18156 5215 1 11 . 1 1 29 29 SER CA C 29 60.300 60.300 60.552 -0.252 18156 5216 1 11 . 1 1 29 29 SER CB C 29 63.100 63.100 62.990 0.110 18156 5217 1 11 . 1 1 29 29 SER H H 29 7.940 7.940 8.230 -0.290 18156 5218 1 11 . 1 1 30 30 LYS N N 30 117.200 117.200 118.598 -1.398 18156 5219 1 11 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.447 0.013 18156 5220 1 11 . 1 1 30 30 LYS C C 30 177.200 177.200 176.621 0.579 18156 5221 1 11 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.720 0.080 18156 5222 1 11 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.655 0.345 18156 5223 1 11 . 1 1 30 30 LYS H H 30 6.680 6.680 7.224 -0.544 18156 5224 1 11 . 1 1 31 31 GLY N N 31 107.100 107.100 108.607 -1.507 18156 5225 1 11 . 1 1 31 31 GLY C C 31 175.700 175.700 175.816 -0.116 18156 5226 1 11 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.538 0.862 18156 5227 1 11 . 1 1 31 31 GLY H H 31 7.660 7.660 7.678 -0.018 18156 5228 1 11 . 1 1 32 32 VAL N N 32 107.300 107.300 112.648 -5.348 18156 5229 1 11 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.228 0.402 18156 5230 1 11 . 1 1 32 32 VAL C C 32 174.800 174.800 175.487 -0.687 18156 5231 1 11 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.822 -2.022 18156 5232 1 11 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.009 0.091 18156 5233 1 11 . 1 1 32 32 VAL H H 32 6.910 6.910 7.572 -0.662 18156 5234 1 11 . 1 1 33 33 VAL N N 33 122.000 122.000 119.507 2.493 18156 5235 1 11 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.215 -0.215 18156 5236 1 11 . 1 1 33 33 VAL C C 33 174.500 174.500 175.238 -0.738 18156 5237 1 11 . 1 1 33 33 VAL CA C 33 63.300 63.300 62.079 1.221 18156 5238 1 11 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.039 0.061 18156 5239 1 11 . 1 1 33 33 VAL H H 33 8.180 8.180 7.533 0.647 18156 5240 1 11 . 1 1 34 34 ASP N N 34 128.200 128.200 126.454 1.746 18156 5241 1 11 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.558 0.202 18156 5242 1 11 . 1 1 34 34 ASP C C 34 175.400 175.400 175.648 -0.248 18156 5243 1 11 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.542 -1.242 18156 5244 1 11 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.742 0.858 18156 5245 1 11 . 1 1 34 34 ASP H H 34 9.150 9.150 8.806 0.344 18156 5246 1 11 . 1 1 35 35 ARG N N 35 112.200 112.200 113.659 -1.459 18156 5247 1 11 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.733 -0.113 18156 5248 1 11 . 1 1 35 35 ARG C C 35 172.900 172.900 173.736 -0.836 18156 5249 1 11 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.787 0.513 18156 5250 1 11 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.377 -0.277 18156 5251 1 11 . 1 1 35 35 ARG H H 35 7.440 7.440 7.530 -0.090 18156 5252 1 11 . 1 1 36 36 LEU N N 36 120.400 120.400 122.863 -2.463 18156 5253 1 11 . 1 1 36 36 LEU HA H 36 5.020 5.020 4.649 0.371 18156 5254 1 11 . 1 1 36 36 LEU C C 36 174.800 174.800 175.373 -0.573 18156 5255 1 11 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.958 -0.958 18156 5256 1 11 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.346 0.554 18156 5257 1 11 . 1 1 36 36 LEU H H 36 8.410 8.410 8.849 -0.439 18156 5258 1 11 . 1 1 37 37 GLU N N 37 120.800 120.800 125.095 -4.295 18156 5259 1 11 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.697 0.233 18156 5260 1 11 . 1 1 37 37 GLU C C 37 174.400 174.400 175.741 -1.341 18156 5261 1 11 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.047 -1.747 18156 5262 1 11 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.297 1.403 18156 5263 1 11 . 1 1 37 37 GLU H H 37 8.470 8.470 8.354 0.116 18156 5264 1 11 . 1 1 38 38 VAL N N 38 125.600 125.600 127.625 -2.025 18156 5265 1 11 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.901 0.109 18156 5266 1 11 . 1 1 38 38 VAL C C 38 175.500 175.500 175.022 0.478 18156 5267 1 11 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.963 -0.563 18156 5268 1 11 . 1 1 38 38 VAL CB C 38 30.800 30.800 31.286 -0.486 18156 5269 1 11 . 1 1 38 38 VAL H H 38 9.130 9.130 8.206 0.924 18156 5270 1 11 . 1 1 39 39 VAL N N 39 131.700 131.700 128.000 3.700 18156 5271 1 11 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.314 -0.134 18156 5272 1 11 . 1 1 39 39 VAL C C 39 175.600 175.600 176.034 -0.434 18156 5273 1 11 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.837 0.864 18156 5274 1 11 . 1 1 39 39 VAL CB C 39 30.800 30.800 31.667 -0.867 18156 5275 1 11 . 1 1 39 39 VAL H H 39 9.040 9.040 7.613 1.427 18156 5276 1 11 . 1 1 40 40 ASN N N 40 125.000 125.000 126.636 -1.636 18156 5277 1 11 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.257 0.203 18156 5278 1 11 . 1 1 40 40 ASN C C 40 173.300 173.300 174.893 -1.593 18156 5279 1 11 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.338 -0.238 18156 5280 1 11 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.701 -0.701 18156 5281 1 11 . 1 1 40 40 ASN H H 40 9.060 9.060 9.017 0.043 18156 5282 1 11 . 1 1 41 41 LYS N N 41 109.900 109.900 109.895 0.005 18156 5283 1 11 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.674 -0.434 18156 5284 1 11 . 1 1 41 41 LYS C C 41 175.000 175.000 176.073 -1.073 18156 5285 1 11 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.772 -0.471 18156 5286 1 11 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.671 -0.071 18156 5287 1 11 . 1 1 41 41 LYS H H 41 9.250 9.250 8.355 0.894 18156 5288 1 11 . 1 1 42 42 ARG N N 42 115.800 115.800 115.654 0.146 18156 5289 1 11 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.379 0.331 18156 5290 1 11 . 1 1 42 42 ARG C C 42 174.900 174.900 176.079 -1.179 18156 5291 1 11 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.497 -1.297 18156 5292 1 11 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.271 1.929 18156 5293 1 11 . 1 1 42 42 ARG H H 42 8.110 8.110 7.493 0.617 18156 5294 1 11 . 1 1 43 43 PHE N N 43 115.100 115.100 112.512 2.588 18156 5295 1 11 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.904 0.256 18156 5296 1 11 . 1 1 43 43 PHE C C 43 171.200 171.200 172.755 -1.555 18156 5297 1 11 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.121 -0.421 18156 5298 1 11 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.397 -0.297 18156 5299 1 11 . 1 1 43 43 PHE H H 43 7.610 7.610 7.420 0.190 18156 5300 1 11 . 1 1 44 44 VAL N N 44 121.200 121.200 118.700 2.500 18156 5301 1 11 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.265 0.325 18156 5302 1 11 . 1 1 44 44 VAL C C 44 174.600 174.600 174.580 0.020 18156 5303 1 11 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.714 -0.914 18156 5304 1 11 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.454 -0.554 18156 5305 1 11 . 1 1 44 44 VAL H H 44 9.030 9.030 8.328 0.702 18156 5306 1 11 . 1 1 45 45 ARG N N 45 125.000 125.000 128.079 -3.079 18156 5307 1 11 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.684 0.276 18156 5308 1 11 . 1 1 45 45 ARG C C 45 175.400 175.400 174.537 0.863 18156 5309 1 11 . 1 1 45 45 ARG CA C 45 55.000 55.000 53.518 1.482 18156 5310 1 11 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.837 1.363 18156 5311 1 11 . 1 1 45 45 ARG H H 45 9.320 9.320 8.755 0.565 18156 5312 1 11 . 1 1 46 46 VAL N N 46 127.200 127.200 129.088 -1.888 18156 5313 1 11 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.069 0.041 18156 5314 1 11 . 1 1 46 46 VAL C C 46 174.700 174.700 175.357 -0.657 18156 5315 1 11 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.520 -0.320 18156 5316 1 11 . 1 1 46 46 VAL CB C 46 33.100 33.100 32.022 1.079 18156 5317 1 11 . 1 1 46 46 VAL H H 46 8.770 8.770 8.738 0.032 18156 5318 1 11 . 1 1 47 47 THR N N 47 120.800 120.800 124.593 -3.793 18156 5319 1 11 . 1 1 47 47 THR HA H 47 4.700 4.700 4.426 0.274 18156 5320 1 11 . 1 1 47 47 THR C C 47 174.500 174.500 173.851 0.649 18156 5321 1 11 . 1 1 47 47 THR CA C 47 61.300 61.300 61.909 -0.609 18156 5322 1 11 . 1 1 47 47 THR CB C 47 69.800 69.800 69.696 0.104 18156 5323 1 11 . 1 1 47 47 THR H H 47 8.110 8.110 8.191 -0.081 18156 5324 1 11 . 1 1 48 48 PHE N N 48 125.700 125.700 125.635 0.065 18156 5325 1 11 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.802 0.548 18156 5326 1 11 . 1 1 48 48 PHE C C 48 176.000 176.000 176.645 -0.645 18156 5327 1 11 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.118 0.182 18156 5328 1 11 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.115 0.285 18156 5329 1 11 . 1 1 48 48 PHE H H 48 9.000 9.000 9.007 -0.007 18156 5330 1 11 . 1 1 49 49 THR N N 49 118.900 118.900 115.465 3.435 18156 5331 1 11 . 1 1 49 49 THR HA H 49 4.330 4.330 4.739 -0.409 18156 5332 1 11 . 1 1 49 49 THR CA C 49 61.200 61.200 60.016 1.184 18156 5333 1 11 . 1 1 49 49 THR CB C 49 69.400 69.400 68.566 0.834 18156 5334 1 11 . 1 1 49 49 THR H H 49 8.620 8.620 8.795 -0.175 18156 5335 1 11 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.153 0.207 18156 5336 1 11 . 1 1 50 50 PRO C C 50 177.700 177.700 178.155 -0.455 18156 5337 1 11 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.806 0.694 18156 5338 1 11 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.805 -0.005 18156 5339 1 11 . 1 1 51 51 GLY N N 51 111.300 111.300 112.768 -1.468 18156 5340 1 11 . 1 1 51 51 GLY C C 51 175.200 175.200 175.051 0.149 18156 5341 1 11 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.436 -0.036 18156 5342 1 11 . 1 1 51 51 GLY H H 51 8.880 8.880 8.646 0.234 18156 5343 1 11 . 1 1 52 52 LYS N N 52 118.900 118.900 121.826 -2.926 18156 5344 1 11 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.206 0.364 18156 5345 1 11 . 1 1 52 52 LYS C C 52 175.800 175.800 177.190 -1.390 18156 5346 1 11 . 1 1 52 52 LYS CA C 52 54.800 54.800 58.189 -3.389 18156 5347 1 11 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.201 -0.601 18156 5348 1 11 . 1 1 52 52 LYS H H 52 8.110 8.110 7.925 0.185 18156 5349 1 11 . 1 1 53 53 THR N N 53 114.700 114.700 114.132 0.568 18156 5350 1 11 . 1 1 53 53 THR HA H 53 4.180 4.180 4.717 -0.537 18156 5351 1 11 . 1 1 53 53 THR CA C 53 60.400 60.400 59.922 0.478 18156 5352 1 11 . 1 1 53 53 THR CB C 53 69.100 69.100 69.682 -0.582 18156 5353 1 11 . 1 1 53 53 THR H H 53 7.700 7.700 7.697 0.003 18156 5354 1 11 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.666 -0.256 18156 5355 1 11 . 1 1 54 54 PRO C C 54 177.500 177.500 176.196 1.304 18156 5356 1 11 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.012 1.188 18156 5357 1 11 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.706 -0.406 18156 5358 1 11 . 1 1 55 55 VAL N N 55 119.300 119.300 118.613 0.687 18156 5359 1 11 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.738 0.262 18156 5360 1 11 . 1 1 55 55 VAL C C 55 176.000 176.000 176.809 -0.809 18156 5361 1 11 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.959 -1.659 18156 5362 1 11 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.690 0.710 18156 5363 1 11 . 1 1 55 55 VAL H H 55 8.190 8.190 8.167 0.023 18156 5364 1 11 . 1 1 56 56 ASP N N 56 120.300 120.300 119.016 1.284 18156 5365 1 11 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.554 0.016 18156 5366 1 11 . 1 1 56 56 ASP C C 56 177.000 177.000 176.490 0.510 18156 5367 1 11 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.819 -0.519 18156 5368 1 11 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.852 -0.152 18156 5369 1 11 . 1 1 56 56 ASP H H 56 8.170 8.170 8.108 0.062 18156 5370 1 11 . 1 1 57 57 GLY N N 57 108.300 108.300 107.388 0.912 18156 5371 1 11 . 1 1 57 57 GLY C C 57 173.700 173.700 173.770 -0.070 18156 5372 1 11 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.795 1.005 18156 5373 1 11 . 1 1 57 57 GLY H H 57 8.110 8.110 7.582 0.528 18156 5374 1 11 . 1 1 58 58 GLN N N 58 118.900 118.900 122.497 -3.597 18156 5375 1 11 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.155 0.345 18156 5376 1 11 . 1 1 58 58 GLN C C 58 175.700 175.700 175.377 0.323 18156 5377 1 11 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.867 0.333 18156 5378 1 11 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.419 0.781 18156 5379 1 11 . 1 1 58 58 GLN H H 58 8.070 8.070 8.181 -0.111 18156 5380 1 11 . 1 1 59 59 TYR N N 59 118.800 118.800 122.926 -4.126 18156 5381 1 11 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.760 0.370 18156 5382 1 11 . 1 1 59 59 TYR C C 59 177.500 177.500 176.047 1.453 18156 5383 1 11 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.292 -1.592 18156 5384 1 11 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.724 -0.423 18156 5385 1 11 . 1 1 59 59 TYR H H 59 8.110 8.110 8.318 -0.208 18156 5386 1 11 . 1 1 60 60 VAL N N 60 115.600 115.600 112.644 2.956 18156 5387 1 11 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.495 0.005 18156 5388 1 11 . 1 1 60 60 VAL C C 60 174.700 174.700 174.752 -0.052 18156 5389 1 11 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.958 0.042 18156 5390 1 11 . 1 1 60 60 VAL CB C 60 35.000 35.000 36.542 -1.542 18156 5391 1 11 . 1 1 60 60 VAL H H 60 8.250 8.250 8.371 -0.121 18156 5392 1 11 . 1 1 61 61 TRP N N 61 120.800 120.800 117.615 3.185 18156 5393 1 11 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.557 0.363 18156 5394 1 11 . 1 1 61 61 TRP C C 61 172.700 172.700 173.553 -0.853 18156 5395 1 11 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.770 -0.770 18156 5396 1 11 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.587 0.313 18156 5397 1 11 . 1 1 61 61 TRP H H 61 8.500 8.500 8.706 -0.206 18156 5398 1 11 . 1 1 62 62 PHE N N 62 112.100 112.100 115.638 -3.538 18156 5399 1 11 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.849 0.191 18156 5400 1 11 . 1 1 62 62 PHE C C 62 174.800 174.800 173.641 1.159 18156 5401 1 11 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.622 -1.222 18156 5402 1 11 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.600 0.300 18156 5403 1 11 . 1 1 62 62 PHE H H 62 8.700 8.700 8.342 0.358 18156 5404 1 11 . 1 1 63 63 ASN N N 63 120.800 120.800 120.210 0.590 18156 5405 1 11 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.871 0.289 18156 5406 1 11 . 1 1 63 63 ASN C C 63 175.800 175.800 175.578 0.222 18156 5407 1 11 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.971 1.129 18156 5408 1 11 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.039 1.561 18156 5409 1 11 . 1 1 63 63 ASN H H 63 9.340 9.340 8.659 0.681 18156 5410 1 11 . 1 1 64 64 ILE N N 64 113.400 113.400 116.111 -2.711 18156 5411 1 11 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.504 0.146 18156 5412 1 11 . 1 1 64 64 ILE C C 64 175.300 175.300 177.446 -2.146 18156 5413 1 11 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.312 -1.212 18156 5414 1 11 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.192 2.908 18156 5415 1 11 . 1 1 64 64 ILE H H 64 7.820 7.820 8.125 -0.305 18156 5416 1 11 . 1 1 65 65 GLY N N 65 110.700 110.700 110.609 0.091 18156 5417 1 11 . 1 1 65 65 GLY C C 65 174.300 174.300 174.160 0.140 18156 5418 1 11 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.997 -0.197 18156 5419 1 11 . 1 1 65 65 GLY H H 65 8.570 8.570 8.290 0.280 18156 5420 1 11 . 1 1 66 66 SER N N 66 113.800 113.800 119.044 -5.244 18156 5421 1 11 . 1 1 66 66 SER HA H 66 4.730 4.730 4.663 0.067 18156 5422 1 11 . 1 1 66 66 SER C C 66 175.500 175.500 175.672 -0.172 18156 5423 1 11 . 1 1 66 66 SER CA C 66 56.800 56.800 55.516 1.284 18156 5424 1 11 . 1 1 66 66 SER CB C 66 64.500 64.500 63.651 0.849 18156 5425 1 11 . 1 1 66 66 SER H H 66 7.680 7.680 8.035 -0.355 18156 5426 1 11 . 1 1 67 67 VAL N N 67 127.000 127.000 129.181 -2.181 18156 5427 1 11 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.874 -0.054 18156 5428 1 11 . 1 1 67 67 VAL C C 67 176.700 176.700 177.262 -0.562 18156 5429 1 11 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.397 1.203 18156 5430 1 11 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.728 -0.028 18156 5431 1 11 . 1 1 67 67 VAL H H 67 9.150 9.150 9.100 0.050 18156 5432 1 11 . 1 1 68 68 ASP N N 68 118.800 118.800 118.919 -0.119 18156 5433 1 11 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.729 -0.279 18156 5434 1 11 . 1 1 68 68 ASP C C 68 178.700 178.700 178.492 0.208 18156 5435 1 11 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.171 0.129 18156 5436 1 11 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.926 -0.226 18156 5437 1 11 . 1 1 68 68 ASP H H 68 8.320 8.320 8.067 0.253 18156 5438 1 11 . 1 1 69 69 THR N N 69 114.500 114.500 116.634 -2.134 18156 5439 1 11 . 1 1 69 69 THR HA H 69 3.910 3.910 4.030 -0.120 18156 5440 1 11 . 1 1 69 69 THR C C 69 175.500 175.500 176.285 -0.785 18156 5441 1 11 . 1 1 69 69 THR CA C 69 65.600 65.600 66.433 -0.833 18156 5442 1 11 . 1 1 69 69 THR CB C 69 68.900 68.900 68.678 0.222 18156 5443 1 11 . 1 1 69 69 THR H H 69 7.710 7.710 7.558 0.152 18156 5444 1 11 . 1 1 70 70 PHE N N 70 122.800 122.800 122.743 0.057 18156 5445 1 11 . 1 1 70 70 PHE HA H 70 4.320 4.320 4.152 0.168 18156 5446 1 11 . 1 1 70 70 PHE C C 70 176.000 176.000 177.580 -1.580 18156 5447 1 11 . 1 1 70 70 PHE CA C 70 60.500 60.500 60.957 -0.457 18156 5448 1 11 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.848 0.252 18156 5449 1 11 . 1 1 70 70 PHE H H 70 7.680 7.680 7.885 -0.205 18156 5450 1 11 . 1 1 71 71 GLU N N 71 118.400 118.400 119.046 -0.646 18156 5451 1 11 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.726 -0.356 18156 5452 1 11 . 1 1 71 71 GLU C C 71 179.900 179.900 178.886 1.014 18156 5453 1 11 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.870 0.331 18156 5454 1 11 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.457 -0.257 18156 5455 1 11 . 1 1 71 71 GLU H H 71 8.660 8.660 8.216 0.444 18156 5456 1 11 . 1 1 72 72 ARG N N 72 119.500 119.500 118.951 0.549 18156 5457 1 11 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.889 0.271 18156 5458 1 11 . 1 1 72 72 ARG C C 72 179.200 179.200 178.734 0.466 18156 5459 1 11 . 1 1 72 72 ARG CA C 72 59.100 59.100 60.220 -1.120 18156 5460 1 11 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.193 -0.093 18156 5461 1 11 . 1 1 72 72 ARG H H 72 7.960 7.960 7.885 0.075 18156 5462 1 11 . 1 1 73 73 ASN N N 73 119.900 119.900 117.036 2.864 18156 5463 1 11 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.588 -0.078 18156 5464 1 11 . 1 1 73 73 ASN C C 73 178.100 178.100 177.628 0.472 18156 5465 1 11 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.536 -0.036 18156 5466 1 11 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.818 -0.418 18156 5467 1 11 . 1 1 73 73 ASN H H 73 8.610 8.610 8.025 0.585 18156 5468 1 11 . 1 1 74 74 LEU N N 74 121.900 121.900 122.502 -0.602 18156 5469 1 11 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.285 -0.035 18156 5470 1 11 . 1 1 74 74 LEU C C 74 179.100 179.100 178.543 0.557 18156 5471 1 11 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.334 -0.034 18156 5472 1 11 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.712 0.088 18156 5473 1 11 . 1 1 74 74 LEU H H 74 8.720 8.720 7.699 1.021 18156 5474 1 11 . 1 1 75 75 GLU N N 75 120.700 120.700 118.613 2.087 18156 5475 1 11 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.987 0.123 18156 5476 1 11 . 1 1 75 75 GLU C C 75 178.900 178.900 179.443 -0.543 18156 5477 1 11 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.473 0.427 18156 5478 1 11 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.195 0.105 18156 5479 1 11 . 1 1 75 75 GLU H H 75 8.070 8.070 8.474 -0.404 18156 5480 1 11 . 1 1 76 76 THR N N 76 115.700 115.700 117.269 -1.569 18156 5481 1 11 . 1 1 76 76 THR HA H 76 4.000 4.000 4.205 -0.205 18156 5482 1 11 . 1 1 76 76 THR C C 76 176.600 176.600 176.668 -0.068 18156 5483 1 11 . 1 1 76 76 THR CA C 76 66.500 66.500 66.059 0.441 18156 5484 1 11 . 1 1 76 76 THR CB C 76 69.000 69.000 68.937 0.063 18156 5485 1 11 . 1 1 76 76 THR H H 76 8.400 8.400 7.783 0.617 18156 5486 1 11 . 1 1 77 77 LEU N N 77 122.200 122.200 122.294 -0.094 18156 5487 1 11 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.962 0.298 18156 5488 1 11 . 1 1 77 77 LEU C C 77 179.200 179.200 178.324 0.876 18156 5489 1 11 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.261 -0.961 18156 5490 1 11 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.752 0.148 18156 5491 1 11 . 1 1 77 77 LEU H H 77 8.330 8.330 7.994 0.336 18156 5492 1 11 . 1 1 78 78 GLN N N 78 115.700 115.700 116.983 -1.283 18156 5493 1 11 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.877 0.003 18156 5494 1 11 . 1 1 78 78 GLN C C 78 177.600 177.600 178.341 -0.741 18156 5495 1 11 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.210 2.090 18156 5496 1 11 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.552 0.848 18156 5497 1 11 . 1 1 78 78 GLN H H 78 8.200 8.200 8.381 -0.181 18156 5498 1 11 . 1 1 79 79 GLN N N 79 118.400 118.400 118.342 0.058 18156 5499 1 11 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.034 0.106 18156 5500 1 11 . 1 1 79 79 GLN C C 79 180.000 180.000 178.522 1.478 18156 5501 1 11 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.616 0.584 18156 5502 1 11 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.342 -0.142 18156 5503 1 11 . 1 1 79 79 GLN H H 79 7.980 7.980 7.674 0.306 18156 5504 1 11 . 1 1 80 80 GLU N N 80 121.700 121.700 120.183 1.517 18156 5505 1 11 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.155 -0.105 18156 5506 1 11 . 1 1 80 80 GLU C C 80 178.800 178.800 178.637 0.163 18156 5507 1 11 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.225 1.075 18156 5508 1 11 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.568 0.032 18156 5509 1 11 . 1 1 80 80 GLU H H 80 8.400 8.400 7.927 0.473 18156 5510 1 11 . 1 1 81 81 LEU N N 81 117.200 117.200 117.655 -0.455 18156 5511 1 11 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.208 0.092 18156 5512 1 11 . 1 1 81 81 LEU C C 81 177.400 177.400 177.678 -0.278 18156 5513 1 11 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.468 -0.368 18156 5514 1 11 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.212 0.588 18156 5515 1 11 . 1 1 81 81 LEU H H 81 8.120 8.120 8.222 -0.102 18156 5516 1 11 . 1 1 82 82 GLY N N 82 108.900 108.900 106.248 2.652 18156 5517 1 11 . 1 1 82 82 GLY C C 82 174.600 174.600 174.586 0.014 18156 5518 1 11 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.048 1.252 18156 5519 1 11 . 1 1 82 82 GLY H H 82 7.840 7.840 7.482 0.358 18156 5520 1 11 . 1 1 83 83 ILE N N 83 121.900 121.900 124.803 -2.903 18156 5521 1 11 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.963 0.037 18156 5522 1 11 . 1 1 83 83 ILE C C 83 175.300 175.300 174.660 0.640 18156 5523 1 11 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.189 -0.689 18156 5524 1 11 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.798 1.002 18156 5525 1 11 . 1 1 83 83 ILE H H 83 8.250 8.250 7.809 0.441 18156 5526 1 11 . 1 1 84 84 GLU N N 84 126.600 126.600 125.289 1.311 18156 5527 1 11 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.519 -0.019 18156 5528 1 11 . 1 1 84 84 GLU C C 84 177.400 177.400 176.707 0.693 18156 5529 1 11 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.836 0.464 18156 5530 1 11 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.629 -0.029 18156 5531 1 11 . 1 1 84 84 GLU H H 84 8.760 8.760 7.987 0.773 18156 5532 1 11 . 1 1 85 85 GLY N N 85 109.400 109.400 112.524 -3.124 18156 5533 1 11 . 1 1 85 85 GLY C C 85 176.600 176.600 175.906 0.694 18156 5534 1 11 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.550 0.850 18156 5535 1 11 . 1 1 85 85 GLY H H 85 8.870 8.870 8.730 0.140 18156 5536 1 11 . 1 1 86 86 GLU N N 86 123.900 123.900 125.163 -1.263 18156 5537 1 11 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.117 0.133 18156 5538 1 11 . 1 1 86 86 GLU C C 86 176.200 176.200 176.596 -0.396 18156 5539 1 11 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.408 -0.609 18156 5540 1 11 . 1 1 86 86 GLU CB C 86 29.100 29.100 28.604 0.496 18156 5541 1 11 . 1 1 86 86 GLU H H 86 9.240 9.240 8.812 0.428 18156 5542 1 11 . 1 1 87 87 ASN N N 87 115.900 115.900 117.287 -1.387 18156 5543 1 11 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.704 0.126 18156 5544 1 11 . 1 1 87 87 ASN C C 87 174.600 174.600 175.488 -0.888 18156 5545 1 11 . 1 1 87 87 ASN CA C 87 53.200 53.200 54.021 -0.821 18156 5546 1 11 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.236 0.164 18156 5547 1 11 . 1 1 87 87 ASN H H 87 8.050 8.050 7.747 0.303 18156 5548 1 11 . 1 1 88 88 ARG N N 88 119.300 119.300 121.104 -1.804 18156 5549 1 11 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.281 -0.231 18156 5550 1 11 . 1 1 88 88 ARG C C 88 176.600 176.600 176.259 0.341 18156 5551 1 11 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.410 0.190 18156 5552 1 11 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.075 0.525 18156 5553 1 11 . 1 1 88 88 ARG H H 88 7.230 7.230 7.293 -0.063 18156 5554 1 11 . 1 1 89 89 VAL N N 89 124.700 124.700 126.448 -1.748 18156 5555 1 11 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.128 0.162 18156 5556 1 11 . 1 1 89 89 VAL CA C 89 60.000 60.000 61.214 -1.214 18156 5557 1 11 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.682 1.418 18156 5558 1 11 . 1 1 89 89 VAL H H 89 8.780 8.780 8.273 0.507 18156 5559 1 11 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.495 0.015 18156 5560 1 11 . 1 1 90 90 PRO C C 90 175.100 175.100 175.321 -0.221 18156 5561 1 11 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.700 0.399 18156 5562 1 11 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.658 -0.058 18156 5563 1 11 . 1 1 91 91 VAL N N 91 121.600 121.600 123.048 -1.448 18156 5564 1 11 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.438 0.372 18156 5565 1 11 . 1 1 91 91 VAL C C 91 176.100 176.100 175.812 0.288 18156 5566 1 11 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.640 -0.340 18156 5567 1 11 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.142 1.058 18156 5568 1 11 . 1 1 91 91 VAL H H 91 8.030 8.030 8.282 -0.252 18156 5569 1 11 . 1 1 92 92 VAL N N 92 124.800 124.800 128.884 -4.084 18156 5570 1 11 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.112 0.428 18156 5571 1 11 . 1 1 92 92 VAL C C 92 173.600 173.600 174.574 -0.974 18156 5572 1 11 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.066 -1.366 18156 5573 1 11 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.199 2.701 18156 5574 1 11 . 1 1 92 92 VAL H H 92 8.640 8.640 8.470 0.170 18156 5575 1 11 . 1 1 93 93 TYR N N 93 124.700 124.700 127.689 -2.989 18156 5576 1 11 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.543 0.387 18156 5577 1 11 . 1 1 93 93 TYR C C 93 175.700 175.700 175.717 -0.017 18156 5578 1 11 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.391 -0.991 18156 5579 1 11 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.293 1.207 18156 5580 1 11 . 1 1 93 93 TYR H H 93 8.800 8.800 8.470 0.330 18156 5581 1 11 . 1 1 94 94 ILE N N 94 123.100 123.100 125.452 -2.352 18156 5582 1 11 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.295 0.215 18156 5583 1 11 . 1 1 94 94 ILE C C 94 173.700 173.700 174.659 -0.959 18156 5584 1 11 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.418 -0.218 18156 5585 1 11 . 1 1 94 94 ILE CB C 94 41.500 41.500 38.379 3.121 18156 5586 1 11 . 1 1 94 94 ILE H H 94 9.000 9.000 7.969 1.031 18156 5587 1 11 . 1 1 95 95 ALA N N 95 128.000 128.000 129.453 -1.453 18156 5588 1 11 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.343 0.647 18156 5589 1 11 . 1 1 95 95 ALA C C 95 177.000 177.000 176.520 0.480 18156 5590 1 11 . 1 1 95 95 ALA CA C 95 50.500 50.500 52.060 -1.560 18156 5591 1 11 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.614 0.786 18156 5592 1 11 . 1 1 95 95 ALA H H 95 8.450 8.450 8.174 0.276 18156 5593 1 11 . 1 1 96 96 GLU N N 96 122.200 122.200 122.885 -0.685 18156 5594 1 11 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.464 0.056 18156 5595 1 11 . 1 1 96 96 GLU C C 96 176.000 176.000 175.961 0.039 18156 5596 1 11 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.433 0.067 18156 5597 1 11 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.127 2.673 18156 5598 1 11 . 1 1 96 96 GLU H H 96 8.850 8.850 8.632 0.218 18156 5599 1 11 . 1 1 97 97 SER N N 97 118.600 118.600 115.487 3.113 18156 5600 1 11 . 1 1 97 97 SER HA H 97 4.430 4.430 4.685 -0.255 18156 5601 1 11 . 1 1 97 97 SER C C 97 174.200 174.200 173.980 0.220 18156 5602 1 11 . 1 1 97 97 SER CA C 97 58.500 58.500 57.492 1.008 18156 5603 1 11 . 1 1 97 97 SER CB C 97 63.800 63.800 63.509 0.291 18156 5604 1 11 . 1 1 97 97 SER H H 97 8.650 8.650 8.366 0.284 18156 5605 1 11 . 1 1 98 98 ASP N N 98 123.200 123.200 125.084 -1.884 18156 5606 1 11 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.573 0.097 18156 5607 1 11 . 1 1 98 98 ASP C C 98 175.500 175.500 175.922 -0.422 18156 5608 1 11 . 1 1 98 98 ASP CA C 98 54.400 54.400 55.026 -0.626 18156 5609 1 11 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.461 -0.061 18156 5610 1 11 . 1 1 98 98 ASP H H 98 8.500 8.500 8.865 -0.365 18156 5611 1 12 . 1 1 2 2 GLY CA C 2 43.500 43.500 46.628 -3.128 18156 5612 1 12 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.645 -0.055 18156 5613 1 12 . 1 1 10 10 HIS C C 10 175.500 175.500 176.162 -0.662 18156 5614 1 12 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.625 -0.125 18156 5615 1 12 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.163 0.038 18156 5616 1 12 . 1 1 11 11 MET N N 11 120.900 120.900 121.771 -0.871 18156 5617 1 12 . 1 1 11 11 MET HA H 11 4.290 4.290 4.437 -0.147 18156 5618 1 12 . 1 1 11 11 MET C C 11 176.300 176.300 175.871 0.429 18156 5619 1 12 . 1 1 11 11 MET CA C 11 55.900 55.900 54.868 1.032 18156 5620 1 12 . 1 1 11 11 MET CB C 11 32.700 32.700 33.433 -0.733 18156 5621 1 12 . 1 1 11 11 MET H H 11 8.210 8.210 7.975 0.235 18156 5622 1 12 . 1 1 12 12 LYS N N 12 122.100 122.100 126.335 -4.235 18156 5623 1 12 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.100 0.030 18156 5624 1 12 . 1 1 12 12 LYS C C 12 176.700 176.700 176.247 0.453 18156 5625 1 12 . 1 1 12 12 LYS CA C 12 56.800 56.800 57.040 -0.240 18156 5626 1 12 . 1 1 12 12 LYS CB C 12 32.800 32.800 30.648 2.152 18156 5627 1 12 . 1 1 12 12 LYS H H 12 8.300 8.300 8.629 -0.329 18156 5628 1 12 . 1 1 13 13 ARG N N 13 121.500 121.500 123.621 -2.121 18156 5629 1 12 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.044 0.226 18156 5630 1 12 . 1 1 13 13 ARG C C 13 176.200 176.200 176.352 -0.152 18156 5631 1 12 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.550 -0.350 18156 5632 1 12 . 1 1 13 13 ARG CB C 13 30.800 30.800 29.511 1.289 18156 5633 1 12 . 1 1 13 13 ARG H H 13 8.160 8.160 8.333 -0.173 18156 5634 1 12 . 1 1 14 14 SER N N 14 116.700 116.700 116.069 0.631 18156 5635 1 12 . 1 1 14 14 SER HA H 14 4.530 4.530 4.281 0.249 18156 5636 1 12 . 1 1 14 14 SER C C 14 173.600 173.600 173.897 -0.297 18156 5637 1 12 . 1 1 14 14 SER CA C 14 58.300 58.300 60.150 -1.850 18156 5638 1 12 . 1 1 14 14 SER CB C 14 64.100 64.100 63.658 0.442 18156 5639 1 12 . 1 1 14 14 SER H H 14 8.160 8.160 8.680 -0.520 18156 5640 1 12 . 1 1 15 15 GLY N N 15 109.300 109.300 104.871 4.429 18156 5641 1 12 . 1 1 15 15 GLY C C 15 173.000 173.000 172.546 0.454 18156 5642 1 12 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.663 0.037 18156 5643 1 12 . 1 1 15 15 GLY H H 15 8.100 8.100 7.366 0.734 18156 5644 1 12 . 1 1 16 16 ARG N N 16 122.300 122.300 121.384 0.916 18156 5645 1 12 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.422 0.108 18156 5646 1 12 . 1 1 16 16 ARG C C 16 173.200 173.200 175.250 -2.050 18156 5647 1 12 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.281 0.019 18156 5648 1 12 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.546 1.354 18156 5649 1 12 . 1 1 16 16 ARG H H 16 8.460 8.460 8.518 -0.058 18156 5650 1 12 . 1 1 17 17 GLU N N 17 126.800 126.800 127.812 -1.012 18156 5651 1 12 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.682 -0.462 18156 5652 1 12 . 1 1 17 17 GLU C C 17 177.000 177.000 176.016 0.984 18156 5653 1 12 . 1 1 17 17 GLU CA C 17 55.000 55.000 56.082 -1.082 18156 5654 1 12 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.839 0.261 18156 5655 1 12 . 1 1 17 17 GLU H H 17 8.190 8.190 8.484 -0.294 18156 5656 1 12 . 1 1 18 18 ILE N N 18 122.600 122.600 121.920 0.680 18156 5657 1 12 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.714 0.246 18156 5658 1 12 . 1 1 18 18 ILE C C 18 174.600 174.600 174.673 -0.073 18156 5659 1 12 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.726 0.474 18156 5660 1 12 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.650 0.250 18156 5661 1 12 . 1 1 18 18 ILE H H 18 8.870 8.870 8.476 0.394 18156 5662 1 12 . 1 1 19 19 THR N N 19 108.700 108.700 110.589 -1.889 18156 5663 1 12 . 1 1 19 19 THR HA H 19 4.760 4.760 4.693 0.067 18156 5664 1 12 . 1 1 19 19 THR C C 19 175.400 175.400 175.665 -0.265 18156 5665 1 12 . 1 1 19 19 THR CA C 19 59.800 59.800 60.349 -0.549 18156 5666 1 12 . 1 1 19 19 THR CB C 19 72.100 72.100 71.637 0.463 18156 5667 1 12 . 1 1 19 19 THR H H 19 8.140 8.140 8.035 0.105 18156 5668 1 12 . 1 1 20 20 TRP N N 20 121.900 121.900 124.125 -2.225 18156 5669 1 12 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.949 -0.049 18156 5670 1 12 . 1 1 20 20 TRP C C 20 176.600 176.600 177.187 -0.587 18156 5671 1 12 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.763 -0.763 18156 5672 1 12 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.682 -0.382 18156 5673 1 12 . 1 1 20 20 TRP H H 20 9.060 9.060 8.787 0.273 18156 5674 1 12 . 1 1 21 21 LYS N N 21 116.900 116.900 118.579 -1.679 18156 5675 1 12 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.827 -0.167 18156 5676 1 12 . 1 1 21 21 LYS C C 21 178.200 178.200 178.153 0.047 18156 5677 1 12 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.832 -0.132 18156 5678 1 12 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.785 0.415 18156 5679 1 12 . 1 1 21 21 LYS H H 21 8.320 8.320 8.139 0.181 18156 5680 1 12 . 1 1 22 22 ASP N N 22 119.000 119.000 119.093 -0.093 18156 5681 1 12 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.294 -0.024 18156 5682 1 12 . 1 1 22 22 ASP C C 22 178.500 178.500 178.315 0.185 18156 5683 1 12 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.186 -0.186 18156 5684 1 12 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.763 0.537 18156 5685 1 12 . 1 1 22 22 ASP H H 22 7.670 7.670 7.600 0.070 18156 5686 1 12 . 1 1 23 23 PHE N N 23 120.000 120.000 120.916 -0.916 18156 5687 1 12 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.322 -0.072 18156 5688 1 12 . 1 1 23 23 PHE C C 23 177.500 177.500 176.844 0.656 18156 5689 1 12 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.913 -0.112 18156 5690 1 12 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.668 -1.068 18156 5691 1 12 . 1 1 23 23 PHE H H 23 8.430 8.430 7.880 0.550 18156 5692 1 12 . 1 1 24 24 VAL N N 24 120.700 120.700 118.464 2.236 18156 5693 1 12 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.766 -0.036 18156 5694 1 12 . 1 1 24 24 VAL C C 24 178.200 178.200 178.129 0.071 18156 5695 1 12 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.499 0.401 18156 5696 1 12 . 1 1 24 24 VAL CB C 24 32.100 32.100 31.131 0.969 18156 5697 1 12 . 1 1 24 24 VAL H H 24 8.250 8.250 7.742 0.508 18156 5698 1 12 . 1 1 25 25 ASN N N 25 116.700 116.700 116.700 0.000 18156 5699 1 12 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.361 -0.161 18156 5700 1 12 . 1 1 25 25 ASN C C 25 176.200 176.200 176.900 -0.700 18156 5701 1 12 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.660 0.340 18156 5702 1 12 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.340 0.360 18156 5703 1 12 . 1 1 25 25 ASN H H 25 8.260 8.260 7.792 0.468 18156 5704 1 12 . 1 1 26 26 ASN N N 26 112.300 112.300 117.491 -5.191 18156 5705 1 12 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.421 0.179 18156 5706 1 12 . 1 1 26 26 ASN C C 26 174.500 174.500 176.432 -1.932 18156 5707 1 12 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.452 -1.852 18156 5708 1 12 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.763 0.037 18156 5709 1 12 . 1 1 26 26 ASN H H 26 8.490 8.490 7.862 0.628 18156 5710 1 12 . 1 1 27 27 TYR N N 27 113.700 113.700 118.290 -4.590 18156 5711 1 12 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.630 0.200 18156 5712 1 12 . 1 1 27 27 TYR C C 27 176.500 176.500 178.180 -1.680 18156 5713 1 12 . 1 1 27 27 TYR CA C 27 58.200 58.200 60.234 -2.034 18156 5714 1 12 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.848 0.452 18156 5715 1 12 . 1 1 27 27 TYR H H 27 7.000 7.000 7.437 -0.437 18156 5716 1 12 . 1 1 28 28 LEU N N 28 122.700 122.700 122.125 0.575 18156 5717 1 12 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.770 0.060 18156 5718 1 12 . 1 1 28 28 LEU C C 28 179.700 179.700 178.424 1.276 18156 5719 1 12 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.682 0.618 18156 5720 1 12 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.320 0.080 18156 5721 1 12 . 1 1 28 28 LEU H H 28 8.180 8.180 8.202 -0.022 18156 5722 1 12 . 1 1 29 29 SER N N 29 109.300 109.300 113.748 -4.448 18156 5723 1 12 . 1 1 29 29 SER HA H 29 4.120 4.120 4.148 -0.028 18156 5724 1 12 . 1 1 29 29 SER C C 29 174.000 174.000 175.708 -1.708 18156 5725 1 12 . 1 1 29 29 SER CA C 29 60.300 60.300 60.759 -0.459 18156 5726 1 12 . 1 1 29 29 SER CB C 29 63.100 63.100 62.818 0.282 18156 5727 1 12 . 1 1 29 29 SER H H 29 7.940 7.940 8.077 -0.137 18156 5728 1 12 . 1 1 30 30 LYS N N 30 117.200 117.200 120.789 -3.589 18156 5729 1 12 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.446 0.014 18156 5730 1 12 . 1 1 30 30 LYS C C 30 177.200 177.200 176.331 0.869 18156 5731 1 12 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.599 0.201 18156 5732 1 12 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.581 0.419 18156 5733 1 12 . 1 1 30 30 LYS H H 30 6.680 6.680 7.401 -0.721 18156 5734 1 12 . 1 1 31 31 GLY N N 31 107.100 107.100 107.442 -0.342 18156 5735 1 12 . 1 1 31 31 GLY C C 31 175.700 175.700 174.815 0.885 18156 5736 1 12 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.163 1.237 18156 5737 1 12 . 1 1 31 31 GLY H H 31 7.660 7.660 7.781 -0.121 18156 5738 1 12 . 1 1 32 32 VAL N N 32 107.300 107.300 111.364 -4.064 18156 5739 1 12 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.491 0.139 18156 5740 1 12 . 1 1 32 32 VAL C C 32 174.800 174.800 175.229 -0.429 18156 5741 1 12 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.372 -0.572 18156 5742 1 12 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.763 -0.663 18156 5743 1 12 . 1 1 32 32 VAL H H 32 6.910 6.910 7.203 -0.293 18156 5744 1 12 . 1 1 33 33 VAL N N 33 122.000 122.000 119.821 2.179 18156 5745 1 12 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.030 -0.030 18156 5746 1 12 . 1 1 33 33 VAL C C 33 174.500 174.500 174.843 -0.343 18156 5747 1 12 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.686 1.614 18156 5748 1 12 . 1 1 33 33 VAL CB C 33 32.100 32.100 33.071 -0.971 18156 5749 1 12 . 1 1 33 33 VAL H H 33 8.180 8.180 7.311 0.869 18156 5750 1 12 . 1 1 34 34 ASP N N 34 128.200 128.200 126.133 2.067 18156 5751 1 12 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.644 0.116 18156 5752 1 12 . 1 1 34 34 ASP C C 34 175.400 175.400 175.526 -0.126 18156 5753 1 12 . 1 1 34 34 ASP CA C 34 55.300 55.300 55.933 -0.633 18156 5754 1 12 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.009 0.591 18156 5755 1 12 . 1 1 34 34 ASP H H 34 9.150 9.150 8.905 0.245 18156 5756 1 12 . 1 1 35 35 ARG N N 35 112.200 112.200 114.168 -1.968 18156 5757 1 12 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.917 -0.297 18156 5758 1 12 . 1 1 35 35 ARG C C 35 172.900 172.900 174.049 -1.149 18156 5759 1 12 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.642 0.658 18156 5760 1 12 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.407 -0.307 18156 5761 1 12 . 1 1 35 35 ARG H H 35 7.440 7.440 7.398 0.042 18156 5762 1 12 . 1 1 36 36 LEU N N 36 120.400 120.400 123.544 -3.144 18156 5763 1 12 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.065 -0.045 18156 5764 1 12 . 1 1 36 36 LEU C C 36 174.800 174.800 175.956 -1.156 18156 5765 1 12 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.688 -0.688 18156 5766 1 12 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.248 0.652 18156 5767 1 12 . 1 1 36 36 LEU H H 36 8.410 8.410 8.882 -0.472 18156 5768 1 12 . 1 1 37 37 GLU N N 37 120.800 120.800 125.382 -4.582 18156 5769 1 12 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.917 0.013 18156 5770 1 12 . 1 1 37 37 GLU C C 37 174.400 174.400 176.243 -1.843 18156 5771 1 12 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.055 -1.755 18156 5772 1 12 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.231 1.469 18156 5773 1 12 . 1 1 37 37 GLU H H 37 8.470 8.470 8.774 -0.304 18156 5774 1 12 . 1 1 38 38 VAL N N 38 125.600 125.600 127.935 -2.335 18156 5775 1 12 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.982 0.028 18156 5776 1 12 . 1 1 38 38 VAL C C 38 175.500 175.500 174.863 0.637 18156 5777 1 12 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.797 -0.397 18156 5778 1 12 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.778 0.022 18156 5779 1 12 . 1 1 38 38 VAL H H 38 9.130 9.130 8.842 0.288 18156 5780 1 12 . 1 1 39 39 VAL N N 39 131.700 131.700 128.903 2.797 18156 5781 1 12 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.406 -0.226 18156 5782 1 12 . 1 1 39 39 VAL C C 39 175.600 175.600 176.222 -0.622 18156 5783 1 12 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.561 1.139 18156 5784 1 12 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.286 0.514 18156 5785 1 12 . 1 1 39 39 VAL H H 39 9.040 9.040 7.860 1.180 18156 5786 1 12 . 1 1 40 40 ASN N N 40 125.000 125.000 126.028 -1.028 18156 5787 1 12 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.214 0.246 18156 5788 1 12 . 1 1 40 40 ASN C C 40 173.300 173.300 174.518 -1.218 18156 5789 1 12 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.630 -0.530 18156 5790 1 12 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.253 -0.253 18156 5791 1 12 . 1 1 40 40 ASN H H 40 9.060 9.060 9.212 -0.152 18156 5792 1 12 . 1 1 41 41 LYS N N 41 109.900 109.900 109.006 0.894 18156 5793 1 12 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.669 -0.429 18156 5794 1 12 . 1 1 41 41 LYS C C 41 175.000 175.000 176.351 -1.351 18156 5795 1 12 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.534 -0.234 18156 5796 1 12 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.691 -0.090 18156 5797 1 12 . 1 1 41 41 LYS H H 41 9.250 9.250 8.348 0.902 18156 5798 1 12 . 1 1 42 42 ARG N N 42 115.800 115.800 117.364 -1.564 18156 5799 1 12 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.226 0.484 18156 5800 1 12 . 1 1 42 42 ARG C C 42 174.900 174.900 176.827 -1.927 18156 5801 1 12 . 1 1 42 42 ARG CA C 42 57.200 57.200 59.132 -1.932 18156 5802 1 12 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.292 2.908 18156 5803 1 12 . 1 1 42 42 ARG H H 42 8.110 8.110 7.735 0.375 18156 5804 1 12 . 1 1 43 43 PHE N N 43 115.100 115.100 112.752 2.348 18156 5805 1 12 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.976 0.183 18156 5806 1 12 . 1 1 43 43 PHE C C 43 171.200 171.200 172.787 -1.587 18156 5807 1 12 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.182 -0.482 18156 5808 1 12 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.252 -0.152 18156 5809 1 12 . 1 1 43 43 PHE H H 43 7.610 7.610 7.334 0.276 18156 5810 1 12 . 1 1 44 44 VAL N N 44 121.200 121.200 118.240 2.960 18156 5811 1 12 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.178 0.412 18156 5812 1 12 . 1 1 44 44 VAL C C 44 174.600 174.600 174.296 0.304 18156 5813 1 12 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.760 -0.959 18156 5814 1 12 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.713 -1.813 18156 5815 1 12 . 1 1 44 44 VAL H H 44 9.030 9.030 8.638 0.392 18156 5816 1 12 . 1 1 45 45 ARG N N 45 125.000 125.000 127.335 -2.335 18156 5817 1 12 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.728 0.232 18156 5818 1 12 . 1 1 45 45 ARG C C 45 175.400 175.400 175.173 0.227 18156 5819 1 12 . 1 1 45 45 ARG CA C 45 55.000 55.000 55.033 -0.033 18156 5820 1 12 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.666 1.534 18156 5821 1 12 . 1 1 45 45 ARG H H 45 9.320 9.320 8.497 0.823 18156 5822 1 12 . 1 1 46 46 VAL N N 46 127.200 127.200 130.014 -2.814 18156 5823 1 12 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.197 -0.087 18156 5824 1 12 . 1 1 46 46 VAL C C 46 174.700 174.700 175.262 -0.562 18156 5825 1 12 . 1 1 46 46 VAL CA C 46 62.200 62.200 63.106 -0.906 18156 5826 1 12 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.193 1.907 18156 5827 1 12 . 1 1 46 46 VAL H H 46 8.770 8.770 8.698 0.072 18156 5828 1 12 . 1 1 47 47 THR N N 47 120.800 120.800 124.560 -3.760 18156 5829 1 12 . 1 1 47 47 THR HA H 47 4.700 4.700 4.926 -0.226 18156 5830 1 12 . 1 1 47 47 THR C C 47 174.500 174.500 173.488 1.012 18156 5831 1 12 . 1 1 47 47 THR CA C 47 61.300 61.300 61.463 -0.163 18156 5832 1 12 . 1 1 47 47 THR CB C 47 69.800 69.800 70.790 -0.990 18156 5833 1 12 . 1 1 47 47 THR H H 47 8.110 8.110 8.180 -0.070 18156 5834 1 12 . 1 1 48 48 PHE N N 48 125.700 125.700 123.630 2.070 18156 5835 1 12 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.136 0.214 18156 5836 1 12 . 1 1 48 48 PHE C C 48 176.000 176.000 177.339 -1.339 18156 5837 1 12 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.671 0.629 18156 5838 1 12 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.140 0.260 18156 5839 1 12 . 1 1 48 48 PHE H H 48 9.000 9.000 9.363 -0.363 18156 5840 1 12 . 1 1 49 49 THR N N 49 118.900 118.900 115.083 3.817 18156 5841 1 12 . 1 1 49 49 THR HA H 49 4.330 4.330 4.512 -0.182 18156 5842 1 12 . 1 1 49 49 THR CA C 49 61.200 61.200 60.390 0.810 18156 5843 1 12 . 1 1 49 49 THR CB C 49 69.400 69.400 68.538 0.862 18156 5844 1 12 . 1 1 49 49 THR H H 49 8.620 8.620 8.696 -0.076 18156 5845 1 12 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.535 -0.175 18156 5846 1 12 . 1 1 50 50 PRO C C 50 177.700 177.700 176.118 1.582 18156 5847 1 12 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.293 1.207 18156 5848 1 12 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.362 1.438 18156 5849 1 12 . 1 1 51 51 GLY N N 51 111.300 111.300 106.513 4.787 18156 5850 1 12 . 1 1 51 51 GLY C C 51 175.200 175.200 175.063 0.137 18156 5851 1 12 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.781 -0.380 18156 5852 1 12 . 1 1 51 51 GLY H H 51 8.880 8.880 8.252 0.628 18156 5853 1 12 . 1 1 52 52 LYS N N 52 118.900 118.900 120.819 -1.919 18156 5854 1 12 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.405 0.165 18156 5855 1 12 . 1 1 52 52 LYS C C 52 175.800 175.800 177.155 -1.355 18156 5856 1 12 . 1 1 52 52 LYS CA C 52 54.800 54.800 57.426 -2.626 18156 5857 1 12 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.706 -1.106 18156 5858 1 12 . 1 1 52 52 LYS H H 52 8.110 8.110 7.727 0.383 18156 5859 1 12 . 1 1 53 53 THR N N 53 114.700 114.700 113.873 0.827 18156 5860 1 12 . 1 1 53 53 THR HA H 53 4.180 4.180 4.884 -0.704 18156 5861 1 12 . 1 1 53 53 THR CA C 53 60.400 60.400 58.361 2.039 18156 5862 1 12 . 1 1 53 53 THR CB C 53 69.100 69.100 68.885 0.215 18156 5863 1 12 . 1 1 53 53 THR H H 53 7.700 7.700 7.860 -0.160 18156 5864 1 12 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.565 -0.155 18156 5865 1 12 . 1 1 54 54 PRO C C 54 177.500 177.500 178.520 -1.020 18156 5866 1 12 . 1 1 54 54 PRO CA C 54 63.200 63.200 65.023 -1.823 18156 5867 1 12 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.079 0.221 18156 5868 1 12 . 1 1 55 55 VAL N N 55 119.300 119.300 116.595 2.705 18156 5869 1 12 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.996 0.004 18156 5870 1 12 . 1 1 55 55 VAL C C 55 176.000 176.000 176.650 -0.650 18156 5871 1 12 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.656 -1.356 18156 5872 1 12 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.575 0.825 18156 5873 1 12 . 1 1 55 55 VAL H H 55 8.190 8.190 7.999 0.191 18156 5874 1 12 . 1 1 56 56 ASP N N 56 120.300 120.300 118.255 2.045 18156 5875 1 12 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.438 0.132 18156 5876 1 12 . 1 1 56 56 ASP C C 56 177.000 177.000 176.729 0.271 18156 5877 1 12 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.478 -1.178 18156 5878 1 12 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.560 0.140 18156 5879 1 12 . 1 1 56 56 ASP H H 56 8.170 8.170 8.225 -0.055 18156 5880 1 12 . 1 1 57 57 GLY N N 57 108.300 108.300 106.736 1.564 18156 5881 1 12 . 1 1 57 57 GLY C C 57 173.700 173.700 172.896 0.804 18156 5882 1 12 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.232 1.568 18156 5883 1 12 . 1 1 57 57 GLY H H 57 8.110 8.110 7.691 0.419 18156 5884 1 12 . 1 1 58 58 GLN N N 58 118.900 118.900 123.854 -4.954 18156 5885 1 12 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.710 0.790 18156 5886 1 12 . 1 1 58 58 GLN C C 58 175.700 175.700 174.643 1.057 18156 5887 1 12 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.030 1.170 18156 5888 1 12 . 1 1 58 58 GLN CB C 58 30.200 30.200 27.557 2.643 18156 5889 1 12 . 1 1 58 58 GLN H H 58 8.070 8.070 7.294 0.776 18156 5890 1 12 . 1 1 59 59 TYR N N 59 118.800 118.800 123.887 -5.087 18156 5891 1 12 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.593 0.537 18156 5892 1 12 . 1 1 59 59 TYR C C 59 177.500 177.500 176.264 1.236 18156 5893 1 12 . 1 1 59 59 TYR CA C 59 56.700 56.700 59.149 -2.449 18156 5894 1 12 . 1 1 59 59 TYR CB C 59 39.300 39.300 37.759 1.541 18156 5895 1 12 . 1 1 59 59 TYR H H 59 8.110 8.110 7.617 0.493 18156 5896 1 12 . 1 1 60 60 VAL N N 60 115.600 115.600 116.415 -0.815 18156 5897 1 12 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.386 0.114 18156 5898 1 12 . 1 1 60 60 VAL C C 60 174.700 174.700 174.974 -0.274 18156 5899 1 12 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.336 0.664 18156 5900 1 12 . 1 1 60 60 VAL CB C 60 35.000 35.000 36.033 -1.033 18156 5901 1 12 . 1 1 60 60 VAL H H 60 8.250 8.250 8.244 0.006 18156 5902 1 12 . 1 1 61 61 TRP N N 61 120.800 120.800 118.152 2.648 18156 5903 1 12 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.457 0.463 18156 5904 1 12 . 1 1 61 61 TRP C C 61 172.700 172.700 173.415 -0.715 18156 5905 1 12 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.697 -0.697 18156 5906 1 12 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.675 0.225 18156 5907 1 12 . 1 1 61 61 TRP H H 61 8.500 8.500 8.531 -0.031 18156 5908 1 12 . 1 1 62 62 PHE N N 62 112.100 112.100 115.386 -3.286 18156 5909 1 12 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.919 0.121 18156 5910 1 12 . 1 1 62 62 PHE C C 62 174.800 174.800 173.831 0.969 18156 5911 1 12 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.380 -0.980 18156 5912 1 12 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.608 0.292 18156 5913 1 12 . 1 1 62 62 PHE H H 62 8.700 8.700 8.497 0.203 18156 5914 1 12 . 1 1 63 63 ASN N N 63 120.800 120.800 119.994 0.806 18156 5915 1 12 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.993 0.167 18156 5916 1 12 . 1 1 63 63 ASN C C 63 175.800 175.800 175.275 0.525 18156 5917 1 12 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.239 0.862 18156 5918 1 12 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.602 0.998 18156 5919 1 12 . 1 1 63 63 ASN H H 63 9.340 9.340 8.865 0.475 18156 5920 1 12 . 1 1 64 64 ILE N N 64 113.400 113.400 114.175 -0.775 18156 5921 1 12 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.656 -0.006 18156 5922 1 12 . 1 1 64 64 ILE C C 64 175.300 175.300 177.191 -1.891 18156 5923 1 12 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.062 -0.962 18156 5924 1 12 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.666 2.434 18156 5925 1 12 . 1 1 64 64 ILE H H 64 7.820 7.820 8.440 -0.620 18156 5926 1 12 . 1 1 65 65 GLY N N 65 110.700 110.700 110.602 0.098 18156 5927 1 12 . 1 1 65 65 GLY C C 65 174.300 174.300 174.562 -0.262 18156 5928 1 12 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.466 -0.666 18156 5929 1 12 . 1 1 65 65 GLY H H 65 8.570 8.570 7.988 0.582 18156 5930 1 12 . 1 1 66 66 SER N N 66 113.800 113.800 119.658 -5.858 18156 5931 1 12 . 1 1 66 66 SER HA H 66 4.730 4.730 4.537 0.193 18156 5932 1 12 . 1 1 66 66 SER C C 66 175.500 175.500 175.831 -0.331 18156 5933 1 12 . 1 1 66 66 SER CA C 66 56.800 56.800 56.364 0.436 18156 5934 1 12 . 1 1 66 66 SER CB C 66 64.500 64.500 63.010 1.490 18156 5935 1 12 . 1 1 66 66 SER H H 66 7.680 7.680 7.956 -0.276 18156 5936 1 12 . 1 1 67 67 VAL N N 67 127.000 127.000 129.247 -2.247 18156 5937 1 12 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.823 -0.003 18156 5938 1 12 . 1 1 67 67 VAL C C 67 176.700 176.700 177.209 -0.509 18156 5939 1 12 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.960 0.640 18156 5940 1 12 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.920 -0.220 18156 5941 1 12 . 1 1 67 67 VAL H H 67 9.150 9.150 8.485 0.665 18156 5942 1 12 . 1 1 68 68 ASP N N 68 118.800 118.800 118.338 0.462 18156 5943 1 12 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.420 0.030 18156 5944 1 12 . 1 1 68 68 ASP C C 68 178.700 178.700 178.288 0.412 18156 5945 1 12 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.405 -0.105 18156 5946 1 12 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.769 -0.069 18156 5947 1 12 . 1 1 68 68 ASP H H 68 8.320 8.320 8.537 -0.217 18156 5948 1 12 . 1 1 69 69 THR N N 69 114.500 114.500 116.674 -2.174 18156 5949 1 12 . 1 1 69 69 THR HA H 69 3.910 3.910 3.991 -0.081 18156 5950 1 12 . 1 1 69 69 THR C C 69 175.500 175.500 176.342 -0.842 18156 5951 1 12 . 1 1 69 69 THR CA C 69 65.600 65.600 66.502 -0.902 18156 5952 1 12 . 1 1 69 69 THR CB C 69 68.900 68.900 68.643 0.257 18156 5953 1 12 . 1 1 69 69 THR H H 69 7.710 7.710 7.622 0.088 18156 5954 1 12 . 1 1 70 70 PHE N N 70 122.800 122.800 122.807 -0.007 18156 5955 1 12 . 1 1 70 70 PHE HA H 70 4.320 4.320 4.147 0.173 18156 5956 1 12 . 1 1 70 70 PHE C C 70 176.000 176.000 177.439 -1.439 18156 5957 1 12 . 1 1 70 70 PHE CA C 70 60.500 60.500 60.901 -0.401 18156 5958 1 12 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.775 0.325 18156 5959 1 12 . 1 1 70 70 PHE H H 70 7.680 7.680 7.881 -0.201 18156 5960 1 12 . 1 1 71 71 GLU N N 71 118.400 118.400 118.416 -0.016 18156 5961 1 12 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.630 -0.260 18156 5962 1 12 . 1 1 71 71 GLU C C 71 179.900 179.900 179.081 0.819 18156 5963 1 12 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.785 0.415 18156 5964 1 12 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.445 -0.245 18156 5965 1 12 . 1 1 71 71 GLU H H 71 8.660 8.660 8.227 0.433 18156 5966 1 12 . 1 1 72 72 ARG N N 72 119.500 119.500 119.147 0.353 18156 5967 1 12 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.990 0.170 18156 5968 1 12 . 1 1 72 72 ARG C C 72 179.200 179.200 179.003 0.197 18156 5969 1 12 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.595 -0.495 18156 5970 1 12 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.267 -0.167 18156 5971 1 12 . 1 1 72 72 ARG H H 72 7.960 7.960 7.928 0.032 18156 5972 1 12 . 1 1 73 73 ASN N N 73 119.900 119.900 117.890 2.010 18156 5973 1 12 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.545 -0.035 18156 5974 1 12 . 1 1 73 73 ASN C C 73 178.100 178.100 177.601 0.499 18156 5975 1 12 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.450 0.049 18156 5976 1 12 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.607 -0.207 18156 5977 1 12 . 1 1 73 73 ASN H H 73 8.610 8.610 8.222 0.388 18156 5978 1 12 . 1 1 74 74 LEU N N 74 121.900 121.900 122.093 -0.193 18156 5979 1 12 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.290 -0.040 18156 5980 1 12 . 1 1 74 74 LEU C C 74 179.100 179.100 178.537 0.563 18156 5981 1 12 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.569 -0.269 18156 5982 1 12 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.725 0.075 18156 5983 1 12 . 1 1 74 74 LEU H H 74 8.720 8.720 8.088 0.632 18156 5984 1 12 . 1 1 75 75 GLU N N 75 120.700 120.700 118.025 2.675 18156 5985 1 12 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.009 0.101 18156 5986 1 12 . 1 1 75 75 GLU C C 75 178.900 178.900 179.369 -0.469 18156 5987 1 12 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.305 0.595 18156 5988 1 12 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.988 0.312 18156 5989 1 12 . 1 1 75 75 GLU H H 75 8.070 8.070 8.053 0.017 18156 5990 1 12 . 1 1 76 76 THR N N 76 115.700 115.700 117.014 -1.314 18156 5991 1 12 . 1 1 76 76 THR HA H 76 4.000 4.000 4.029 -0.029 18156 5992 1 12 . 1 1 76 76 THR C C 76 176.600 176.600 176.837 -0.237 18156 5993 1 12 . 1 1 76 76 THR CA C 76 66.500 66.500 66.358 0.142 18156 5994 1 12 . 1 1 76 76 THR CB C 76 69.000 69.000 68.736 0.264 18156 5995 1 12 . 1 1 76 76 THR H H 76 8.400 8.400 7.980 0.420 18156 5996 1 12 . 1 1 77 77 LEU N N 77 122.200 122.200 122.416 -0.216 18156 5997 1 12 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.026 0.234 18156 5998 1 12 . 1 1 77 77 LEU C C 77 179.200 179.200 178.433 0.767 18156 5999 1 12 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.203 -0.903 18156 6000 1 12 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.819 0.081 18156 6001 1 12 . 1 1 77 77 LEU H H 77 8.330 8.330 8.158 0.172 18156 6002 1 12 . 1 1 78 78 GLN N N 78 115.700 115.700 117.698 -1.998 18156 6003 1 12 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.931 -0.051 18156 6004 1 12 . 1 1 78 78 GLN C C 78 177.600 177.600 178.731 -1.131 18156 6005 1 12 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.003 2.297 18156 6006 1 12 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.554 0.846 18156 6007 1 12 . 1 1 78 78 GLN H H 78 8.200 8.200 8.352 -0.152 18156 6008 1 12 . 1 1 79 79 GLN N N 79 118.400 118.400 117.433 0.967 18156 6009 1 12 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.084 0.056 18156 6010 1 12 . 1 1 79 79 GLN C C 79 180.000 180.000 178.567 1.433 18156 6011 1 12 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.065 1.135 18156 6012 1 12 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.196 0.004 18156 6013 1 12 . 1 1 79 79 GLN H H 79 7.980 7.980 7.872 0.108 18156 6014 1 12 . 1 1 80 80 GLU N N 80 121.700 121.700 120.390 1.310 18156 6015 1 12 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.139 -0.089 18156 6016 1 12 . 1 1 80 80 GLU C C 80 178.800 178.800 178.570 0.230 18156 6017 1 12 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.620 0.680 18156 6018 1 12 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.796 -0.196 18156 6019 1 12 . 1 1 80 80 GLU H H 80 8.400 8.400 7.731 0.669 18156 6020 1 12 . 1 1 81 81 LEU N N 81 117.200 117.200 117.610 -0.410 18156 6021 1 12 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.230 0.070 18156 6022 1 12 . 1 1 81 81 LEU C C 81 177.400 177.400 177.956 -0.556 18156 6023 1 12 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.635 -0.534 18156 6024 1 12 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.569 0.231 18156 6025 1 12 . 1 1 81 81 LEU H H 81 8.120 8.120 8.219 -0.099 18156 6026 1 12 . 1 1 82 82 GLY N N 82 108.900 108.900 106.258 2.642 18156 6027 1 12 . 1 1 82 82 GLY C C 82 174.600 174.600 174.638 -0.038 18156 6028 1 12 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.203 1.097 18156 6029 1 12 . 1 1 82 82 GLY H H 82 7.840 7.840 7.552 0.288 18156 6030 1 12 . 1 1 83 83 ILE N N 83 121.900 121.900 122.637 -0.737 18156 6031 1 12 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.850 0.150 18156 6032 1 12 . 1 1 83 83 ILE C C 83 175.300 175.300 175.162 0.138 18156 6033 1 12 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.662 -1.162 18156 6034 1 12 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.864 0.936 18156 6035 1 12 . 1 1 83 83 ILE H H 83 8.250 8.250 7.634 0.616 18156 6036 1 12 . 1 1 84 84 GLU N N 84 126.600 126.600 125.631 0.969 18156 6037 1 12 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.646 -0.146 18156 6038 1 12 . 1 1 84 84 GLU C C 84 177.400 177.400 176.702 0.698 18156 6039 1 12 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.632 0.668 18156 6040 1 12 . 1 1 84 84 GLU CB C 84 32.600 32.600 33.542 -0.942 18156 6041 1 12 . 1 1 84 84 GLU H H 84 8.760 8.760 7.776 0.984 18156 6042 1 12 . 1 1 85 85 GLY N N 85 109.400 109.400 113.073 -3.673 18156 6043 1 12 . 1 1 85 85 GLY C C 85 176.600 176.600 175.618 0.982 18156 6044 1 12 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.077 0.323 18156 6045 1 12 . 1 1 85 85 GLY H H 85 8.870 8.870 8.920 -0.050 18156 6046 1 12 . 1 1 86 86 GLU N N 86 123.900 123.900 124.234 -0.334 18156 6047 1 12 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.212 0.038 18156 6048 1 12 . 1 1 86 86 GLU C C 86 176.200 176.200 177.285 -1.085 18156 6049 1 12 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.863 -0.063 18156 6050 1 12 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.924 -0.824 18156 6051 1 12 . 1 1 86 86 GLU H H 86 9.240 9.240 8.551 0.689 18156 6052 1 12 . 1 1 87 87 ASN N N 87 115.900 115.900 116.552 -0.652 18156 6053 1 12 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.627 0.203 18156 6054 1 12 . 1 1 87 87 ASN C C 87 174.600 174.600 175.123 -0.523 18156 6055 1 12 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.938 -0.738 18156 6056 1 12 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.046 0.354 18156 6057 1 12 . 1 1 87 87 ASN H H 87 8.050 8.050 7.699 0.351 18156 6058 1 12 . 1 1 88 88 ARG N N 88 119.300 119.300 119.623 -0.323 18156 6059 1 12 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.163 -0.114 18156 6060 1 12 . 1 1 88 88 ARG C C 88 176.600 176.600 174.968 1.632 18156 6061 1 12 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.611 -0.011 18156 6062 1 12 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.951 -0.351 18156 6063 1 12 . 1 1 88 88 ARG H H 88 7.230 7.230 7.238 -0.008 18156 6064 1 12 . 1 1 89 89 VAL N N 89 124.700 124.700 123.982 0.718 18156 6065 1 12 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.475 -0.185 18156 6066 1 12 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.234 0.766 18156 6067 1 12 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.428 1.672 18156 6068 1 12 . 1 1 89 89 VAL H H 89 8.780 8.780 8.393 0.387 18156 6069 1 12 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.514 -0.004 18156 6070 1 12 . 1 1 90 90 PRO C C 90 175.100 175.100 175.672 -0.572 18156 6071 1 12 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.946 0.154 18156 6072 1 12 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.400 0.200 18156 6073 1 12 . 1 1 91 91 VAL N N 91 121.600 121.600 123.050 -1.450 18156 6074 1 12 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.427 0.383 18156 6075 1 12 . 1 1 91 91 VAL C C 91 176.100 176.100 175.905 0.195 18156 6076 1 12 . 1 1 91 91 VAL CA C 91 61.300 61.300 62.100 -0.800 18156 6077 1 12 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.533 1.667 18156 6078 1 12 . 1 1 91 91 VAL H H 91 8.030 8.030 8.300 -0.270 18156 6079 1 12 . 1 1 92 92 VAL N N 92 124.800 124.800 128.827 -4.027 18156 6080 1 12 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.216 0.324 18156 6081 1 12 . 1 1 92 92 VAL C C 92 173.600 173.600 174.558 -0.958 18156 6082 1 12 . 1 1 92 92 VAL CA C 92 59.700 59.700 60.946 -1.246 18156 6083 1 12 . 1 1 92 92 VAL CB C 92 34.900 34.900 33.374 1.526 18156 6084 1 12 . 1 1 92 92 VAL H H 92 8.640 8.640 8.434 0.206 18156 6085 1 12 . 1 1 93 93 TYR N N 93 124.700 124.700 127.057 -2.357 18156 6086 1 12 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.713 0.217 18156 6087 1 12 . 1 1 93 93 TYR C C 93 175.700 175.700 176.038 -0.338 18156 6088 1 12 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.005 -0.605 18156 6089 1 12 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.955 -0.455 18156 6090 1 12 . 1 1 93 93 TYR H H 93 8.800 8.800 8.528 0.272 18156 6091 1 12 . 1 1 94 94 ILE N N 94 123.100 123.100 126.472 -3.372 18156 6092 1 12 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.397 0.113 18156 6093 1 12 . 1 1 94 94 ILE C C 94 173.700 173.700 174.295 -0.595 18156 6094 1 12 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.638 -0.438 18156 6095 1 12 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.232 1.268 18156 6096 1 12 . 1 1 94 94 ILE H H 94 9.000 9.000 8.814 0.186 18156 6097 1 12 . 1 1 95 95 ALA N N 95 128.000 128.000 129.574 -1.574 18156 6098 1 12 . 1 1 95 95 ALA HA H 95 4.990 4.990 5.134 -0.144 18156 6099 1 12 . 1 1 95 95 ALA C C 95 177.000 177.000 177.128 -0.128 18156 6100 1 12 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.460 0.040 18156 6101 1 12 . 1 1 95 95 ALA CB C 95 20.400 20.400 21.538 -1.137 18156 6102 1 12 . 1 1 95 95 ALA H H 95 8.450 8.450 8.533 -0.083 18156 6103 1 12 . 1 1 96 96 GLU N N 96 122.200 122.200 121.191 1.009 18156 6104 1 12 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.554 -0.034 18156 6105 1 12 . 1 1 96 96 GLU C C 96 176.000 176.000 177.017 -1.017 18156 6106 1 12 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.548 -1.048 18156 6107 1 12 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.406 2.394 18156 6108 1 12 . 1 1 96 96 GLU H H 96 8.850 8.850 8.469 0.381 18156 6109 1 12 . 1 1 97 97 SER N N 97 118.600 118.600 114.504 4.096 18156 6110 1 12 . 1 1 97 97 SER HA H 97 4.430 4.430 4.408 0.022 18156 6111 1 12 . 1 1 97 97 SER C C 97 174.200 174.200 174.336 -0.136 18156 6112 1 12 . 1 1 97 97 SER CA C 97 58.500 58.500 59.308 -0.808 18156 6113 1 12 . 1 1 97 97 SER CB C 97 63.800 63.800 63.172 0.628 18156 6114 1 12 . 1 1 97 97 SER H H 97 8.650 8.650 8.306 0.344 18156 6115 1 12 . 1 1 98 98 ASP N N 98 123.200 123.200 118.980 4.220 18156 6116 1 12 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.747 -0.077 18156 6117 1 12 . 1 1 98 98 ASP C C 98 175.500 175.500 175.386 0.114 18156 6118 1 12 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.563 -0.163 18156 6119 1 12 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.960 -0.560 18156 6120 1 12 . 1 1 98 98 ASP H H 98 8.500 8.500 7.871 0.629 18156 6121 1 13 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.398 -0.898 18156 6122 1 13 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.959 -0.369 18156 6123 1 13 . 1 1 10 10 HIS C C 10 175.500 175.500 173.505 1.995 18156 6124 1 13 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.977 0.523 18156 6125 1 13 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.090 0.110 18156 6126 1 13 . 1 1 11 11 MET N N 11 120.900 120.900 121.802 -0.902 18156 6127 1 13 . 1 1 11 11 MET HA H 11 4.290 4.290 4.565 -0.275 18156 6128 1 13 . 1 1 11 11 MET C C 11 176.300 176.300 176.211 0.089 18156 6129 1 13 . 1 1 11 11 MET CA C 11 55.900 55.900 55.732 0.168 18156 6130 1 13 . 1 1 11 11 MET CB C 11 32.700 32.700 33.026 -0.326 18156 6131 1 13 . 1 1 11 11 MET H H 11 8.210 8.210 8.430 -0.220 18156 6132 1 13 . 1 1 12 12 LYS N N 12 122.100 122.100 120.379 1.721 18156 6133 1 13 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.348 -0.218 18156 6134 1 13 . 1 1 12 12 LYS C C 12 176.700 176.700 176.818 -0.118 18156 6135 1 13 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.055 0.745 18156 6136 1 13 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.647 0.153 18156 6137 1 13 . 1 1 12 12 LYS H H 12 8.300 8.300 7.955 0.345 18156 6138 1 13 . 1 1 13 13 ARG N N 13 121.500 121.500 121.927 -0.427 18156 6139 1 13 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.206 0.064 18156 6140 1 13 . 1 1 13 13 ARG C C 13 176.200 176.200 175.885 0.315 18156 6141 1 13 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.432 -0.232 18156 6142 1 13 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.722 2.078 18156 6143 1 13 . 1 1 13 13 ARG H H 13 8.160 8.160 8.630 -0.470 18156 6144 1 13 . 1 1 14 14 SER N N 14 116.700 116.700 118.906 -2.206 18156 6145 1 13 . 1 1 14 14 SER HA H 14 4.530 4.530 4.659 -0.129 18156 6146 1 13 . 1 1 14 14 SER C C 14 173.600 173.600 173.769 -0.169 18156 6147 1 13 . 1 1 14 14 SER CA C 14 58.300 58.300 57.539 0.761 18156 6148 1 13 . 1 1 14 14 SER CB C 14 64.100 64.100 64.823 -0.723 18156 6149 1 13 . 1 1 14 14 SER H H 14 8.160 8.160 8.118 0.042 18156 6150 1 13 . 1 1 15 15 GLY N N 15 109.300 109.300 108.671 0.629 18156 6151 1 13 . 1 1 15 15 GLY C C 15 173.000 173.000 173.245 -0.245 18156 6152 1 13 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.464 -0.764 18156 6153 1 13 . 1 1 15 15 GLY H H 15 8.100 8.100 8.377 -0.277 18156 6154 1 13 . 1 1 16 16 ARG N N 16 122.300 122.300 121.813 0.487 18156 6155 1 13 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.449 0.081 18156 6156 1 13 . 1 1 16 16 ARG C C 16 173.200 173.200 174.804 -1.604 18156 6157 1 13 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.242 1.058 18156 6158 1 13 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.726 1.174 18156 6159 1 13 . 1 1 16 16 ARG H H 16 8.460 8.460 8.688 -0.228 18156 6160 1 13 . 1 1 17 17 GLU N N 17 126.800 126.800 128.285 -1.485 18156 6161 1 13 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.498 -0.278 18156 6162 1 13 . 1 1 17 17 GLU C C 17 177.000 177.000 176.081 0.919 18156 6163 1 13 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.692 -0.692 18156 6164 1 13 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.118 0.982 18156 6165 1 13 . 1 1 17 17 GLU H H 17 8.190 8.190 8.485 -0.295 18156 6166 1 13 . 1 1 18 18 ILE N N 18 122.600 122.600 122.702 -0.102 18156 6167 1 13 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.597 0.363 18156 6168 1 13 . 1 1 18 18 ILE C C 18 174.600 174.600 175.192 -0.592 18156 6169 1 13 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.141 0.059 18156 6170 1 13 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.949 0.951 18156 6171 1 13 . 1 1 18 18 ILE H H 18 8.870 8.870 8.430 0.440 18156 6172 1 13 . 1 1 19 19 THR N N 19 108.700 108.700 110.187 -1.487 18156 6173 1 13 . 1 1 19 19 THR HA H 19 4.760 4.760 4.763 -0.003 18156 6174 1 13 . 1 1 19 19 THR C C 19 175.400 175.400 175.538 -0.138 18156 6175 1 13 . 1 1 19 19 THR CA C 19 59.800 59.800 59.616 0.184 18156 6176 1 13 . 1 1 19 19 THR CB C 19 72.100 72.100 72.254 -0.154 18156 6177 1 13 . 1 1 19 19 THR H H 19 8.140 8.140 8.333 -0.193 18156 6178 1 13 . 1 1 20 20 TRP N N 20 121.900 121.900 123.262 -1.362 18156 6179 1 13 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.972 -0.072 18156 6180 1 13 . 1 1 20 20 TRP C C 20 176.600 176.600 177.276 -0.676 18156 6181 1 13 . 1 1 20 20 TRP CA C 20 60.000 60.000 61.087 -1.087 18156 6182 1 13 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.643 -0.343 18156 6183 1 13 . 1 1 20 20 TRP H H 20 9.060 9.060 8.794 0.266 18156 6184 1 13 . 1 1 21 21 LYS N N 21 116.900 116.900 119.048 -2.148 18156 6185 1 13 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.918 -0.258 18156 6186 1 13 . 1 1 21 21 LYS C C 21 178.200 178.200 178.310 -0.110 18156 6187 1 13 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.934 -0.234 18156 6188 1 13 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.015 0.185 18156 6189 1 13 . 1 1 21 21 LYS H H 21 8.320 8.320 8.336 -0.016 18156 6190 1 13 . 1 1 22 22 ASP N N 22 119.000 119.000 119.290 -0.290 18156 6191 1 13 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.330 -0.060 18156 6192 1 13 . 1 1 22 22 ASP C C 22 178.500 178.500 178.740 -0.240 18156 6193 1 13 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.401 -0.401 18156 6194 1 13 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.722 0.578 18156 6195 1 13 . 1 1 22 22 ASP H H 22 7.670 7.670 7.667 0.003 18156 6196 1 13 . 1 1 23 23 PHE N N 23 120.000 120.000 121.852 -1.852 18156 6197 1 13 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.252 -0.002 18156 6198 1 13 . 1 1 23 23 PHE C C 23 177.500 177.500 176.894 0.606 18156 6199 1 13 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.902 -0.102 18156 6200 1 13 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.621 -1.021 18156 6201 1 13 . 1 1 23 23 PHE H H 23 8.430 8.430 8.171 0.259 18156 6202 1 13 . 1 1 24 24 VAL N N 24 120.700 120.700 117.992 2.708 18156 6203 1 13 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.813 -0.083 18156 6204 1 13 . 1 1 24 24 VAL C C 24 178.200 178.200 178.027 0.173 18156 6205 1 13 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.244 0.656 18156 6206 1 13 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.646 1.454 18156 6207 1 13 . 1 1 24 24 VAL H H 24 8.250 8.250 7.781 0.469 18156 6208 1 13 . 1 1 25 25 ASN N N 25 116.700 116.700 117.585 -0.885 18156 6209 1 13 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.420 -0.220 18156 6210 1 13 . 1 1 25 25 ASN C C 25 176.200 176.200 177.199 -0.999 18156 6211 1 13 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.877 0.123 18156 6212 1 13 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.378 0.322 18156 6213 1 13 . 1 1 25 25 ASN H H 25 8.260 8.260 7.759 0.501 18156 6214 1 13 . 1 1 26 26 ASN N N 26 112.300 112.300 116.414 -4.114 18156 6215 1 13 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.401 0.199 18156 6216 1 13 . 1 1 26 26 ASN C C 26 174.500 174.500 175.690 -1.190 18156 6217 1 13 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.125 -1.525 18156 6218 1 13 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.584 0.216 18156 6219 1 13 . 1 1 26 26 ASN H H 26 8.490 8.490 7.813 0.677 18156 6220 1 13 . 1 1 27 27 TYR N N 27 113.700 113.700 116.960 -3.260 18156 6221 1 13 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.603 0.227 18156 6222 1 13 . 1 1 27 27 TYR C C 27 176.500 176.500 177.295 -0.795 18156 6223 1 13 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.841 -1.641 18156 6224 1 13 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.724 0.576 18156 6225 1 13 . 1 1 27 27 TYR H H 27 7.000 7.000 7.333 -0.333 18156 6226 1 13 . 1 1 28 28 LEU N N 28 122.700 122.700 120.582 2.118 18156 6227 1 13 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.846 -0.016 18156 6228 1 13 . 1 1 28 28 LEU C C 28 179.700 179.700 179.181 0.519 18156 6229 1 13 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.348 0.952 18156 6230 1 13 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.401 -0.001 18156 6231 1 13 . 1 1 28 28 LEU H H 28 8.180 8.180 8.275 -0.095 18156 6232 1 13 . 1 1 29 29 SER N N 29 109.300 109.300 115.122 -5.822 18156 6233 1 13 . 1 1 29 29 SER HA H 29 4.120 4.120 4.136 -0.016 18156 6234 1 13 . 1 1 29 29 SER C C 29 174.000 174.000 175.614 -1.614 18156 6235 1 13 . 1 1 29 29 SER CA C 29 60.300 60.300 61.086 -0.786 18156 6236 1 13 . 1 1 29 29 SER CB C 29 63.100 63.100 62.996 0.103 18156 6237 1 13 . 1 1 29 29 SER H H 29 7.940 7.940 8.168 -0.228 18156 6238 1 13 . 1 1 30 30 LYS N N 30 117.200 117.200 118.768 -1.568 18156 6239 1 13 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.402 0.058 18156 6240 1 13 . 1 1 30 30 LYS C C 30 177.200 177.200 176.440 0.760 18156 6241 1 13 . 1 1 30 30 LYS CA C 30 54.800 54.800 54.864 -0.064 18156 6242 1 13 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.555 0.445 18156 6243 1 13 . 1 1 30 30 LYS H H 30 6.680 6.680 7.285 -0.605 18156 6244 1 13 . 1 1 31 31 GLY N N 31 107.100 107.100 108.264 -1.164 18156 6245 1 13 . 1 1 31 31 GLY C C 31 175.700 175.700 175.618 0.082 18156 6246 1 13 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.247 1.153 18156 6247 1 13 . 1 1 31 31 GLY H H 31 7.660 7.660 7.776 -0.116 18156 6248 1 13 . 1 1 32 32 VAL N N 32 107.300 107.300 111.295 -3.995 18156 6249 1 13 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.342 0.288 18156 6250 1 13 . 1 1 32 32 VAL C C 32 174.800 174.800 175.793 -0.993 18156 6251 1 13 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.425 -1.625 18156 6252 1 13 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.464 -0.364 18156 6253 1 13 . 1 1 32 32 VAL H H 32 6.910 6.910 7.425 -0.515 18156 6254 1 13 . 1 1 33 33 VAL N N 33 122.000 122.000 120.003 1.997 18156 6255 1 13 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.193 -0.193 18156 6256 1 13 . 1 1 33 33 VAL C C 33 174.500 174.500 175.653 -1.153 18156 6257 1 13 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.837 1.463 18156 6258 1 13 . 1 1 33 33 VAL CB C 33 32.100 32.100 31.537 0.563 18156 6259 1 13 . 1 1 33 33 VAL H H 33 8.180 8.180 7.456 0.724 18156 6260 1 13 . 1 1 34 34 ASP N N 34 128.200 128.200 127.189 1.011 18156 6261 1 13 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.568 0.192 18156 6262 1 13 . 1 1 34 34 ASP C C 34 175.400 175.400 175.554 -0.154 18156 6263 1 13 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.706 -1.406 18156 6264 1 13 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.847 0.753 18156 6265 1 13 . 1 1 34 34 ASP H H 34 9.150 9.150 8.928 0.222 18156 6266 1 13 . 1 1 35 35 ARG N N 35 112.200 112.200 113.548 -1.348 18156 6267 1 13 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.657 -0.037 18156 6268 1 13 . 1 1 35 35 ARG C C 35 172.900 172.900 173.833 -0.933 18156 6269 1 13 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.863 0.437 18156 6270 1 13 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.204 -0.104 18156 6271 1 13 . 1 1 35 35 ARG H H 35 7.440 7.440 7.512 -0.072 18156 6272 1 13 . 1 1 36 36 LEU N N 36 120.400 120.400 122.115 -1.715 18156 6273 1 13 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.242 -0.222 18156 6274 1 13 . 1 1 36 36 LEU C C 36 174.800 174.800 175.719 -0.919 18156 6275 1 13 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.455 -0.455 18156 6276 1 13 . 1 1 36 36 LEU CB C 36 43.900 43.900 44.094 -0.194 18156 6277 1 13 . 1 1 36 36 LEU H H 36 8.410 8.410 8.635 -0.225 18156 6278 1 13 . 1 1 37 37 GLU N N 37 120.800 120.800 125.134 -4.334 18156 6279 1 13 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.517 0.413 18156 6280 1 13 . 1 1 37 37 GLU C C 37 174.400 174.400 175.827 -1.427 18156 6281 1 13 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.098 -1.798 18156 6282 1 13 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.021 1.679 18156 6283 1 13 . 1 1 37 37 GLU H H 37 8.470 8.470 8.486 -0.016 18156 6284 1 13 . 1 1 38 38 VAL N N 38 125.600 125.600 127.591 -1.991 18156 6285 1 13 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.821 0.189 18156 6286 1 13 . 1 1 38 38 VAL C C 38 175.500 175.500 175.068 0.432 18156 6287 1 13 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.454 -0.054 18156 6288 1 13 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.052 0.748 18156 6289 1 13 . 1 1 38 38 VAL H H 38 9.130 9.130 8.703 0.427 18156 6290 1 13 . 1 1 39 39 VAL N N 39 131.700 131.700 129.180 2.520 18156 6291 1 13 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.678 0.502 18156 6292 1 13 . 1 1 39 39 VAL C C 39 175.600 175.600 175.774 -0.174 18156 6293 1 13 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.594 -0.894 18156 6294 1 13 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.327 0.473 18156 6295 1 13 . 1 1 39 39 VAL H H 39 9.040 9.040 7.830 1.210 18156 6296 1 13 . 1 1 40 40 ASN N N 40 125.000 125.000 123.722 1.278 18156 6297 1 13 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.231 0.229 18156 6298 1 13 . 1 1 40 40 ASN C C 40 173.300 173.300 174.683 -1.383 18156 6299 1 13 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.722 -0.622 18156 6300 1 13 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.813 0.187 18156 6301 1 13 . 1 1 40 40 ASN H H 40 9.060 9.060 9.033 0.027 18156 6302 1 13 . 1 1 41 41 LYS N N 41 109.900 109.900 110.340 -0.440 18156 6303 1 13 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.761 -0.521 18156 6304 1 13 . 1 1 41 41 LYS C C 41 175.000 175.000 176.001 -1.001 18156 6305 1 13 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.389 -0.090 18156 6306 1 13 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.789 -0.189 18156 6307 1 13 . 1 1 41 41 LYS H H 41 9.250 9.250 7.788 1.462 18156 6308 1 13 . 1 1 42 42 ARG N N 42 115.800 115.800 115.199 0.601 18156 6309 1 13 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.409 0.301 18156 6310 1 13 . 1 1 42 42 ARG C C 42 174.900 174.900 176.656 -1.756 18156 6311 1 13 . 1 1 42 42 ARG CA C 42 57.200 57.200 56.835 0.365 18156 6312 1 13 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.364 2.836 18156 6313 1 13 . 1 1 42 42 ARG H H 42 8.110 8.110 7.745 0.365 18156 6314 1 13 . 1 1 43 43 PHE N N 43 115.100 115.100 112.532 2.568 18156 6315 1 13 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.852 0.308 18156 6316 1 13 . 1 1 43 43 PHE C C 43 171.200 171.200 172.684 -1.484 18156 6317 1 13 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.235 -0.535 18156 6318 1 13 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.239 -0.139 18156 6319 1 13 . 1 1 43 43 PHE H H 43 7.610 7.610 7.339 0.271 18156 6320 1 13 . 1 1 44 44 VAL N N 44 121.200 121.200 118.193 3.007 18156 6321 1 13 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.085 0.505 18156 6322 1 13 . 1 1 44 44 VAL C C 44 174.600 174.600 174.435 0.165 18156 6323 1 13 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.382 -0.582 18156 6324 1 13 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.115 -1.216 18156 6325 1 13 . 1 1 44 44 VAL H H 44 9.030 9.030 8.624 0.406 18156 6326 1 13 . 1 1 45 45 ARG N N 45 125.000 125.000 127.275 -2.275 18156 6327 1 13 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.528 0.432 18156 6328 1 13 . 1 1 45 45 ARG C C 45 175.400 175.400 175.235 0.165 18156 6329 1 13 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.977 0.023 18156 6330 1 13 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.638 1.562 18156 6331 1 13 . 1 1 45 45 ARG H H 45 9.320 9.320 8.445 0.875 18156 6332 1 13 . 1 1 46 46 VAL N N 46 127.200 127.200 129.010 -1.810 18156 6333 1 13 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.079 0.031 18156 6334 1 13 . 1 1 46 46 VAL C C 46 174.700 174.700 175.051 -0.351 18156 6335 1 13 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.883 -0.683 18156 6336 1 13 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.075 2.025 18156 6337 1 13 . 1 1 46 46 VAL H H 46 8.770 8.770 8.717 0.053 18156 6338 1 13 . 1 1 47 47 THR N N 47 120.800 120.800 124.656 -3.856 18156 6339 1 13 . 1 1 47 47 THR HA H 47 4.700 4.700 4.699 0.001 18156 6340 1 13 . 1 1 47 47 THR C C 47 174.500 174.500 173.693 0.807 18156 6341 1 13 . 1 1 47 47 THR CA C 47 61.300 61.300 62.079 -0.779 18156 6342 1 13 . 1 1 47 47 THR CB C 47 69.800 69.800 69.777 0.023 18156 6343 1 13 . 1 1 47 47 THR H H 47 8.110 8.110 8.358 -0.248 18156 6344 1 13 . 1 1 48 48 PHE N N 48 125.700 125.700 125.167 0.533 18156 6345 1 13 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.206 0.144 18156 6346 1 13 . 1 1 48 48 PHE C C 48 176.000 176.000 177.161 -1.161 18156 6347 1 13 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.438 -0.138 18156 6348 1 13 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.643 0.757 18156 6349 1 13 . 1 1 48 48 PHE H H 48 9.000 9.000 9.179 -0.179 18156 6350 1 13 . 1 1 49 49 THR N N 49 118.900 118.900 114.319 4.581 18156 6351 1 13 . 1 1 49 49 THR HA H 49 4.330 4.330 4.521 -0.191 18156 6352 1 13 . 1 1 49 49 THR CA C 49 61.200 61.200 60.417 0.783 18156 6353 1 13 . 1 1 49 49 THR CB C 49 69.400 69.400 68.816 0.584 18156 6354 1 13 . 1 1 49 49 THR H H 49 8.620 8.620 8.536 0.084 18156 6355 1 13 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.297 0.063 18156 6356 1 13 . 1 1 50 50 PRO C C 50 177.700 177.700 178.469 -0.769 18156 6357 1 13 . 1 1 50 50 PRO CA C 50 64.500 64.500 65.383 -0.883 18156 6358 1 13 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.602 0.198 18156 6359 1 13 . 1 1 51 51 GLY N N 51 111.300 111.300 105.992 5.308 18156 6360 1 13 . 1 1 51 51 GLY C C 51 175.200 175.200 175.026 0.174 18156 6361 1 13 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.869 -0.469 18156 6362 1 13 . 1 1 51 51 GLY H H 51 8.880 8.880 8.724 0.156 18156 6363 1 13 . 1 1 52 52 LYS N N 52 118.900 118.900 119.170 -0.270 18156 6364 1 13 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.404 0.166 18156 6365 1 13 . 1 1 52 52 LYS C C 52 175.800 175.800 176.786 -0.986 18156 6366 1 13 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.740 -0.940 18156 6367 1 13 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.524 -0.924 18156 6368 1 13 . 1 1 52 52 LYS H H 52 8.110 8.110 7.950 0.160 18156 6369 1 13 . 1 1 53 53 THR N N 53 114.700 114.700 117.972 -3.272 18156 6370 1 13 . 1 1 53 53 THR HA H 53 4.180 4.180 4.391 -0.211 18156 6371 1 13 . 1 1 53 53 THR CA C 53 60.400 60.400 60.810 -0.410 18156 6372 1 13 . 1 1 53 53 THR CB C 53 69.100 69.100 69.081 0.019 18156 6373 1 13 . 1 1 53 53 THR H H 53 7.700 7.700 7.556 0.144 18156 6374 1 13 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.273 0.137 18156 6375 1 13 . 1 1 54 54 PRO C C 54 177.500 177.500 177.282 0.218 18156 6376 1 13 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.520 0.680 18156 6377 1 13 . 1 1 54 54 PRO CB C 54 32.300 32.300 30.673 1.627 18156 6378 1 13 . 1 1 55 55 VAL N N 55 119.300 119.300 119.980 -0.680 18156 6379 1 13 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.766 0.234 18156 6380 1 13 . 1 1 55 55 VAL C C 55 176.000 176.000 176.247 -0.247 18156 6381 1 13 . 1 1 55 55 VAL CA C 55 63.300 63.300 63.889 -0.589 18156 6382 1 13 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.255 1.145 18156 6383 1 13 . 1 1 55 55 VAL H H 55 8.190 8.190 7.745 0.445 18156 6384 1 13 . 1 1 56 56 ASP N N 56 120.300 120.300 119.993 0.307 18156 6385 1 13 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.514 0.056 18156 6386 1 13 . 1 1 56 56 ASP C C 56 177.000 177.000 176.969 0.031 18156 6387 1 13 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.517 -1.217 18156 6388 1 13 . 1 1 56 56 ASP CB C 56 40.700 40.700 41.004 -0.304 18156 6389 1 13 . 1 1 56 56 ASP H H 56 8.170 8.170 7.916 0.254 18156 6390 1 13 . 1 1 57 57 GLY N N 57 108.300 108.300 105.490 2.810 18156 6391 1 13 . 1 1 57 57 GLY C C 57 173.700 173.700 173.438 0.262 18156 6392 1 13 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.975 0.825 18156 6393 1 13 . 1 1 57 57 GLY H H 57 8.110 8.110 7.630 0.480 18156 6394 1 13 . 1 1 58 58 GLN N N 58 118.900 118.900 121.368 -2.468 18156 6395 1 13 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.868 -0.368 18156 6396 1 13 . 1 1 58 58 GLN C C 58 175.700 175.700 175.991 -0.291 18156 6397 1 13 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.992 1.208 18156 6398 1 13 . 1 1 58 58 GLN CB C 58 30.200 30.200 27.652 2.548 18156 6399 1 13 . 1 1 58 58 GLN H H 58 8.070 8.070 7.986 0.084 18156 6400 1 13 . 1 1 59 59 TYR N N 59 118.800 118.800 122.937 -4.137 18156 6401 1 13 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.721 0.409 18156 6402 1 13 . 1 1 59 59 TYR C C 59 177.500 177.500 176.073 1.427 18156 6403 1 13 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.962 -2.262 18156 6404 1 13 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.733 -0.433 18156 6405 1 13 . 1 1 59 59 TYR H H 59 8.110 8.110 8.144 -0.034 18156 6406 1 13 . 1 1 60 60 VAL N N 60 115.600 115.600 112.561 3.039 18156 6407 1 13 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.318 0.182 18156 6408 1 13 . 1 1 60 60 VAL C C 60 174.700 174.700 175.201 -0.501 18156 6409 1 13 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.968 0.032 18156 6410 1 13 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.797 0.203 18156 6411 1 13 . 1 1 60 60 VAL H H 60 8.250 8.250 8.385 -0.135 18156 6412 1 13 . 1 1 61 61 TRP N N 61 120.800 120.800 120.468 0.332 18156 6413 1 13 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.466 0.454 18156 6414 1 13 . 1 1 61 61 TRP C C 61 172.700 172.700 173.549 -0.849 18156 6415 1 13 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.494 -0.494 18156 6416 1 13 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.757 0.144 18156 6417 1 13 . 1 1 61 61 TRP H H 61 8.500 8.500 8.600 -0.100 18156 6418 1 13 . 1 1 62 62 PHE N N 62 112.100 112.100 116.240 -4.140 18156 6419 1 13 . 1 1 62 62 PHE HA H 62 5.040 5.040 5.131 -0.091 18156 6420 1 13 . 1 1 62 62 PHE C C 62 174.800 174.800 174.108 0.692 18156 6421 1 13 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.073 -0.673 18156 6422 1 13 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.888 0.012 18156 6423 1 13 . 1 1 62 62 PHE H H 62 8.700 8.700 8.755 -0.055 18156 6424 1 13 . 1 1 63 63 ASN N N 63 120.800 120.800 120.724 0.076 18156 6425 1 13 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.988 0.172 18156 6426 1 13 . 1 1 63 63 ASN C C 63 175.800 175.800 175.141 0.659 18156 6427 1 13 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.662 1.438 18156 6428 1 13 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.259 1.341 18156 6429 1 13 . 1 1 63 63 ASN H H 63 9.340 9.340 8.815 0.525 18156 6430 1 13 . 1 1 64 64 ILE N N 64 113.400 113.400 118.313 -4.913 18156 6431 1 13 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.702 -0.052 18156 6432 1 13 . 1 1 64 64 ILE C C 64 175.300 175.300 175.235 0.065 18156 6433 1 13 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.919 0.181 18156 6434 1 13 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.233 1.867 18156 6435 1 13 . 1 1 64 64 ILE H H 64 7.820 7.820 7.670 0.150 18156 6436 1 13 . 1 1 65 65 GLY N N 65 110.700 110.700 112.480 -1.780 18156 6437 1 13 . 1 1 65 65 GLY C C 65 174.300 174.300 175.050 -0.750 18156 6438 1 13 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.634 0.166 18156 6439 1 13 . 1 1 65 65 GLY H H 65 8.570 8.570 8.715 -0.145 18156 6440 1 13 . 1 1 66 66 SER N N 66 113.800 113.800 116.056 -2.256 18156 6441 1 13 . 1 1 66 66 SER HA H 66 4.730 4.730 4.684 0.046 18156 6442 1 13 . 1 1 66 66 SER C C 66 175.500 175.500 174.558 0.942 18156 6443 1 13 . 1 1 66 66 SER CA C 66 56.800 56.800 57.236 -0.436 18156 6444 1 13 . 1 1 66 66 SER CB C 66 64.500 64.500 66.351 -1.851 18156 6445 1 13 . 1 1 66 66 SER H H 66 7.680 7.680 7.861 -0.181 18156 6446 1 13 . 1 1 67 67 VAL N N 67 127.000 127.000 126.756 0.244 18156 6447 1 13 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.809 0.011 18156 6448 1 13 . 1 1 67 67 VAL C C 67 176.700 176.700 177.376 -0.676 18156 6449 1 13 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.797 0.803 18156 6450 1 13 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.552 0.148 18156 6451 1 13 . 1 1 67 67 VAL H H 67 9.150 9.150 8.982 0.168 18156 6452 1 13 . 1 1 68 68 ASP N N 68 118.800 118.800 118.718 0.082 18156 6453 1 13 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.747 -0.297 18156 6454 1 13 . 1 1 68 68 ASP C C 68 178.700 178.700 178.633 0.067 18156 6455 1 13 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.850 -0.550 18156 6456 1 13 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.225 0.475 18156 6457 1 13 . 1 1 68 68 ASP H H 68 8.320 8.320 8.673 -0.353 18156 6458 1 13 . 1 1 69 69 THR N N 69 114.500 114.500 116.460 -1.960 18156 6459 1 13 . 1 1 69 69 THR HA H 69 3.910 3.910 4.047 -0.137 18156 6460 1 13 . 1 1 69 69 THR C C 69 175.500 175.500 176.280 -0.780 18156 6461 1 13 . 1 1 69 69 THR CA C 69 65.600 65.600 65.918 -0.318 18156 6462 1 13 . 1 1 69 69 THR CB C 69 68.900 68.900 68.463 0.437 18156 6463 1 13 . 1 1 69 69 THR H H 69 7.710 7.710 8.040 -0.330 18156 6464 1 13 . 1 1 70 70 PHE N N 70 122.800 122.800 122.360 0.440 18156 6465 1 13 . 1 1 70 70 PHE HA H 70 4.320 4.320 4.008 0.312 18156 6466 1 13 . 1 1 70 70 PHE C C 70 176.000 176.000 176.992 -0.992 18156 6467 1 13 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.411 -0.911 18156 6468 1 13 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.989 0.111 18156 6469 1 13 . 1 1 70 70 PHE H H 70 7.680 7.680 8.176 -0.496 18156 6470 1 13 . 1 1 71 71 GLU N N 71 118.400 118.400 119.402 -1.002 18156 6471 1 13 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.681 -0.311 18156 6472 1 13 . 1 1 71 71 GLU C C 71 179.900 179.900 179.084 0.816 18156 6473 1 13 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.781 0.419 18156 6474 1 13 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.412 -0.212 18156 6475 1 13 . 1 1 71 71 GLU H H 71 8.660 8.660 8.210 0.450 18156 6476 1 13 . 1 1 72 72 ARG N N 72 119.500 119.500 118.602 0.898 18156 6477 1 13 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.911 0.249 18156 6478 1 13 . 1 1 72 72 ARG C C 72 179.200 179.200 178.670 0.530 18156 6479 1 13 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.951 -0.851 18156 6480 1 13 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.148 -0.048 18156 6481 1 13 . 1 1 72 72 ARG H H 72 7.960 7.960 8.080 -0.120 18156 6482 1 13 . 1 1 73 73 ASN N N 73 119.900 119.900 118.064 1.836 18156 6483 1 13 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.436 0.074 18156 6484 1 13 . 1 1 73 73 ASN C C 73 178.100 178.100 177.861 0.239 18156 6485 1 13 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.921 -0.421 18156 6486 1 13 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.827 -0.427 18156 6487 1 13 . 1 1 73 73 ASN H H 73 8.610 8.610 7.978 0.632 18156 6488 1 13 . 1 1 74 74 LEU N N 74 121.900 121.900 122.222 -0.322 18156 6489 1 13 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.347 -0.097 18156 6490 1 13 . 1 1 74 74 LEU C C 74 179.100 179.100 178.632 0.468 18156 6491 1 13 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.399 -0.099 18156 6492 1 13 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.728 0.072 18156 6493 1 13 . 1 1 74 74 LEU H H 74 8.720 8.720 8.228 0.492 18156 6494 1 13 . 1 1 75 75 GLU N N 75 120.700 120.700 117.989 2.711 18156 6495 1 13 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.007 0.103 18156 6496 1 13 . 1 1 75 75 GLU C C 75 178.900 178.900 179.319 -0.419 18156 6497 1 13 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.475 0.425 18156 6498 1 13 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.922 0.378 18156 6499 1 13 . 1 1 75 75 GLU H H 75 8.070 8.070 8.441 -0.371 18156 6500 1 13 . 1 1 76 76 THR N N 76 115.700 115.700 116.868 -1.168 18156 6501 1 13 . 1 1 76 76 THR HA H 76 4.000 4.000 4.046 -0.046 18156 6502 1 13 . 1 1 76 76 THR C C 76 176.600 176.600 176.542 0.058 18156 6503 1 13 . 1 1 76 76 THR CA C 76 66.500 66.500 66.595 -0.095 18156 6504 1 13 . 1 1 76 76 THR CB C 76 69.000 69.000 68.735 0.265 18156 6505 1 13 . 1 1 76 76 THR H H 76 8.400 8.400 7.836 0.564 18156 6506 1 13 . 1 1 77 77 LEU N N 77 122.200 122.200 122.275 -0.075 18156 6507 1 13 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.935 0.325 18156 6508 1 13 . 1 1 77 77 LEU C C 77 179.200 179.200 178.684 0.516 18156 6509 1 13 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.428 -1.128 18156 6510 1 13 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.839 0.061 18156 6511 1 13 . 1 1 77 77 LEU H H 77 8.330 8.330 8.219 0.111 18156 6512 1 13 . 1 1 78 78 GLN N N 78 115.700 115.700 117.087 -1.387 18156 6513 1 13 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.932 -0.052 18156 6514 1 13 . 1 1 78 78 GLN C C 78 177.600 177.600 178.688 -1.088 18156 6515 1 13 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.081 2.220 18156 6516 1 13 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.567 0.833 18156 6517 1 13 . 1 1 78 78 GLN H H 78 8.200 8.200 8.207 -0.007 18156 6518 1 13 . 1 1 79 79 GLN N N 79 118.400 118.400 118.024 0.376 18156 6519 1 13 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.042 0.098 18156 6520 1 13 . 1 1 79 79 GLN C C 79 180.000 180.000 178.799 1.201 18156 6521 1 13 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.265 0.935 18156 6522 1 13 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.154 0.046 18156 6523 1 13 . 1 1 79 79 GLN H H 79 7.980 7.980 7.949 0.031 18156 6524 1 13 . 1 1 80 80 GLU N N 80 121.700 121.700 119.286 2.414 18156 6525 1 13 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.104 -0.054 18156 6526 1 13 . 1 1 80 80 GLU C C 80 178.800 178.800 178.708 0.092 18156 6527 1 13 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.574 0.726 18156 6528 1 13 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.300 0.300 18156 6529 1 13 . 1 1 80 80 GLU H H 80 8.400 8.400 8.026 0.374 18156 6530 1 13 . 1 1 81 81 LEU N N 81 117.200 117.200 117.095 0.105 18156 6531 1 13 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.373 -0.073 18156 6532 1 13 . 1 1 81 81 LEU C C 81 177.400 177.400 177.525 -0.125 18156 6533 1 13 . 1 1 81 81 LEU CA C 81 55.100 55.100 54.962 0.138 18156 6534 1 13 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.331 0.469 18156 6535 1 13 . 1 1 81 81 LEU H H 81 8.120 8.120 7.685 0.435 18156 6536 1 13 . 1 1 82 82 GLY N N 82 108.900 108.900 106.992 1.908 18156 6537 1 13 . 1 1 82 82 GLY C C 82 174.600 174.600 174.660 -0.060 18156 6538 1 13 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.582 0.718 18156 6539 1 13 . 1 1 82 82 GLY H H 82 7.840 7.840 7.489 0.351 18156 6540 1 13 . 1 1 83 83 ILE N N 83 121.900 121.900 124.905 -3.005 18156 6541 1 13 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.914 0.086 18156 6542 1 13 . 1 1 83 83 ILE C C 83 175.300 175.300 174.701 0.599 18156 6543 1 13 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.419 -0.919 18156 6544 1 13 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.327 0.473 18156 6545 1 13 . 1 1 83 83 ILE H H 83 8.250 8.250 7.909 0.341 18156 6546 1 13 . 1 1 84 84 GLU N N 84 126.600 126.600 125.202 1.398 18156 6547 1 13 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.637 -0.137 18156 6548 1 13 . 1 1 84 84 GLU C C 84 177.400 177.400 175.886 1.514 18156 6549 1 13 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.336 0.964 18156 6550 1 13 . 1 1 84 84 GLU CB C 84 32.600 32.600 31.248 1.351 18156 6551 1 13 . 1 1 84 84 GLU H H 84 8.760 8.760 7.925 0.835 18156 6552 1 13 . 1 1 85 85 GLY N N 85 109.400 109.400 108.582 0.818 18156 6553 1 13 . 1 1 85 85 GLY C C 85 176.600 176.600 174.569 2.031 18156 6554 1 13 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.830 0.570 18156 6555 1 13 . 1 1 85 85 GLY H H 85 8.870 8.870 8.598 0.272 18156 6556 1 13 . 1 1 86 86 GLU N N 86 123.900 123.900 123.062 0.838 18156 6557 1 13 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.173 0.077 18156 6558 1 13 . 1 1 86 86 GLU C C 86 176.200 176.200 176.500 -0.300 18156 6559 1 13 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.175 0.625 18156 6560 1 13 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.397 -0.297 18156 6561 1 13 . 1 1 86 86 GLU H H 86 9.240 9.240 8.679 0.561 18156 6562 1 13 . 1 1 87 87 ASN N N 87 115.900 115.900 118.207 -2.307 18156 6563 1 13 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.719 0.111 18156 6564 1 13 . 1 1 87 87 ASN C C 87 174.600 174.600 175.236 -0.636 18156 6565 1 13 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.663 -0.463 18156 6566 1 13 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.566 -0.166 18156 6567 1 13 . 1 1 87 87 ASN H H 87 8.050 8.050 7.819 0.231 18156 6568 1 13 . 1 1 88 88 ARG N N 88 119.300 119.300 120.264 -0.964 18156 6569 1 13 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.154 -0.104 18156 6570 1 13 . 1 1 88 88 ARG C C 88 176.600 176.600 176.736 -0.136 18156 6571 1 13 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.189 0.411 18156 6572 1 13 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.441 0.159 18156 6573 1 13 . 1 1 88 88 ARG H H 88 7.230 7.230 7.289 -0.059 18156 6574 1 13 . 1 1 89 89 VAL N N 89 124.700 124.700 123.952 0.748 18156 6575 1 13 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.030 0.260 18156 6576 1 13 . 1 1 89 89 VAL CA C 89 60.000 60.000 61.637 -1.637 18156 6577 1 13 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.372 1.728 18156 6578 1 13 . 1 1 89 89 VAL H H 89 8.780 8.780 8.425 0.355 18156 6579 1 13 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.401 0.109 18156 6580 1 13 . 1 1 90 90 PRO C C 90 175.100 175.100 175.630 -0.530 18156 6581 1 13 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.114 -0.014 18156 6582 1 13 . 1 1 90 90 PRO CB C 90 32.600 32.600 31.983 0.617 18156 6583 1 13 . 1 1 91 91 VAL N N 91 121.600 121.600 124.973 -3.373 18156 6584 1 13 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.549 0.261 18156 6585 1 13 . 1 1 91 91 VAL C C 91 176.100 176.100 176.089 0.011 18156 6586 1 13 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.664 -0.364 18156 6587 1 13 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.671 1.529 18156 6588 1 13 . 1 1 91 91 VAL H H 91 8.030 8.030 8.173 -0.143 18156 6589 1 13 . 1 1 92 92 VAL N N 92 124.800 124.800 128.857 -4.057 18156 6590 1 13 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.209 0.331 18156 6591 1 13 . 1 1 92 92 VAL C C 92 173.600 173.600 174.720 -1.120 18156 6592 1 13 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.156 -1.456 18156 6593 1 13 . 1 1 92 92 VAL CB C 92 34.900 34.900 31.959 2.942 18156 6594 1 13 . 1 1 92 92 VAL H H 92 8.640 8.640 8.684 -0.044 18156 6595 1 13 . 1 1 93 93 TYR N N 93 124.700 124.700 127.402 -2.702 18156 6596 1 13 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.339 0.591 18156 6597 1 13 . 1 1 93 93 TYR C C 93 175.700 175.700 175.828 -0.128 18156 6598 1 13 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.529 -1.129 18156 6599 1 13 . 1 1 93 93 TYR CB C 93 38.500 38.500 36.808 1.692 18156 6600 1 13 . 1 1 93 93 TYR H H 93 8.800 8.800 8.467 0.333 18156 6601 1 13 . 1 1 94 94 ILE N N 94 123.100 123.100 124.708 -1.608 18156 6602 1 13 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.201 0.309 18156 6603 1 13 . 1 1 94 94 ILE C C 94 173.700 173.700 174.426 -0.726 18156 6604 1 13 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.446 -1.246 18156 6605 1 13 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.637 1.863 18156 6606 1 13 . 1 1 94 94 ILE H H 94 9.000 9.000 8.137 0.863 18156 6607 1 13 . 1 1 95 95 ALA N N 95 128.000 128.000 128.403 -0.403 18156 6608 1 13 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.403 0.587 18156 6609 1 13 . 1 1 95 95 ALA C C 95 177.000 177.000 176.562 0.438 18156 6610 1 13 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.874 -0.374 18156 6611 1 13 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.240 1.160 18156 6612 1 13 . 1 1 95 95 ALA H H 95 8.450 8.450 8.248 0.202 18156 6613 1 13 . 1 1 96 96 GLU N N 96 122.200 122.200 123.934 -1.734 18156 6614 1 13 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.510 0.010 18156 6615 1 13 . 1 1 96 96 GLU C C 96 176.000 176.000 176.754 -0.754 18156 6616 1 13 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.693 -0.193 18156 6617 1 13 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.227 2.572 18156 6618 1 13 . 1 1 96 96 GLU H H 96 8.850 8.850 8.054 0.796 18156 6619 1 13 . 1 1 97 97 SER N N 97 118.600 118.600 117.117 1.483 18156 6620 1 13 . 1 1 97 97 SER HA H 97 4.430 4.430 4.294 0.136 18156 6621 1 13 . 1 1 97 97 SER C C 97 174.200 174.200 175.593 -1.393 18156 6622 1 13 . 1 1 97 97 SER CA C 97 58.500 58.500 59.858 -1.358 18156 6623 1 13 . 1 1 97 97 SER CB C 97 63.800 63.800 63.691 0.109 18156 6624 1 13 . 1 1 97 97 SER H H 97 8.650 8.650 8.666 -0.016 18156 6625 1 13 . 1 1 98 98 ASP N N 98 123.200 123.200 120.475 2.725 18156 6626 1 13 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.350 0.320 18156 6627 1 13 . 1 1 98 98 ASP C C 98 175.500 175.500 176.044 -0.544 18156 6628 1 13 . 1 1 98 98 ASP CA C 98 54.400 54.400 56.001 -1.601 18156 6629 1 13 . 1 1 98 98 ASP CB C 98 41.400 41.400 39.422 1.978 18156 6630 1 13 . 1 1 98 98 ASP H H 98 8.500 8.500 8.358 0.142 18156 6631 1 14 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.559 -1.059 18156 6632 1 14 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.811 -0.221 18156 6633 1 14 . 1 1 10 10 HIS C C 10 175.500 175.500 174.566 0.934 18156 6634 1 14 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.253 0.247 18156 6635 1 14 . 1 1 10 10 HIS CB C 10 30.200 30.200 29.414 0.786 18156 6636 1 14 . 1 1 11 11 MET N N 11 120.900 120.900 123.527 -2.627 18156 6637 1 14 . 1 1 11 11 MET HA H 11 4.290 4.290 4.659 -0.369 18156 6638 1 14 . 1 1 11 11 MET C C 11 176.300 176.300 175.179 1.121 18156 6639 1 14 . 1 1 11 11 MET CA C 11 55.900 55.900 56.287 -0.387 18156 6640 1 14 . 1 1 11 11 MET CB C 11 32.700 32.700 34.521 -1.821 18156 6641 1 14 . 1 1 11 11 MET H H 11 8.210 8.210 8.436 -0.226 18156 6642 1 14 . 1 1 12 12 LYS N N 12 122.100 122.100 122.530 -0.430 18156 6643 1 14 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.296 -0.166 18156 6644 1 14 . 1 1 12 12 LYS C C 12 176.700 176.700 176.192 0.508 18156 6645 1 14 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.313 0.487 18156 6646 1 14 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.625 1.175 18156 6647 1 14 . 1 1 12 12 LYS H H 12 8.300 8.300 8.328 -0.028 18156 6648 1 14 . 1 1 13 13 ARG N N 13 121.500 121.500 124.935 -3.435 18156 6649 1 14 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.263 0.007 18156 6650 1 14 . 1 1 13 13 ARG C C 13 176.200 176.200 175.139 1.061 18156 6651 1 14 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.786 -0.586 18156 6652 1 14 . 1 1 13 13 ARG CB C 13 30.800 30.800 29.416 1.384 18156 6653 1 14 . 1 1 13 13 ARG H H 13 8.160 8.160 8.353 -0.193 18156 6654 1 14 . 1 1 14 14 SER N N 14 116.700 116.700 113.135 3.565 18156 6655 1 14 . 1 1 14 14 SER HA H 14 4.530 4.530 4.093 0.436 18156 6656 1 14 . 1 1 14 14 SER C C 14 173.600 173.600 174.636 -1.036 18156 6657 1 14 . 1 1 14 14 SER CA C 14 58.300 58.300 59.312 -1.012 18156 6658 1 14 . 1 1 14 14 SER CB C 14 64.100 64.100 61.925 2.175 18156 6659 1 14 . 1 1 14 14 SER H H 14 8.160 8.160 8.361 -0.201 18156 6660 1 14 . 1 1 15 15 GLY N N 15 109.300 109.300 108.795 0.505 18156 6661 1 14 . 1 1 15 15 GLY C C 15 173.000 173.000 174.047 -1.047 18156 6662 1 14 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.998 -0.298 18156 6663 1 14 . 1 1 15 15 GLY H H 15 8.100 8.100 7.650 0.450 18156 6664 1 14 . 1 1 16 16 ARG N N 16 122.300 122.300 123.489 -1.189 18156 6665 1 14 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.563 -0.033 18156 6666 1 14 . 1 1 16 16 ARG C C 16 173.200 173.200 174.661 -1.461 18156 6667 1 14 . 1 1 16 16 ARG CA C 16 55.300 55.300 53.959 1.341 18156 6668 1 14 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.582 1.318 18156 6669 1 14 . 1 1 16 16 ARG H H 16 8.460 8.460 8.184 0.276 18156 6670 1 14 . 1 1 17 17 GLU N N 17 126.800 126.800 124.709 2.091 18156 6671 1 14 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.388 -1.168 18156 6672 1 14 . 1 1 17 17 GLU C C 17 177.000 177.000 176.425 0.575 18156 6673 1 14 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.215 -0.215 18156 6674 1 14 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.834 0.266 18156 6675 1 14 . 1 1 17 17 GLU H H 17 8.190 8.190 8.477 -0.287 18156 6676 1 14 . 1 1 18 18 ILE N N 18 122.600 122.600 123.121 -0.521 18156 6677 1 14 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.566 0.394 18156 6678 1 14 . 1 1 18 18 ILE C C 18 174.600 174.600 175.173 -0.573 18156 6679 1 14 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.132 0.068 18156 6680 1 14 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.398 1.502 18156 6681 1 14 . 1 1 18 18 ILE H H 18 8.870 8.870 8.399 0.471 18156 6682 1 14 . 1 1 19 19 THR N N 19 108.700 108.700 110.556 -1.856 18156 6683 1 14 . 1 1 19 19 THR HA H 19 4.760 4.760 4.662 0.098 18156 6684 1 14 . 1 1 19 19 THR C C 19 175.400 175.400 175.411 -0.011 18156 6685 1 14 . 1 1 19 19 THR CA C 19 59.800 59.800 59.724 0.076 18156 6686 1 14 . 1 1 19 19 THR CB C 19 72.100 72.100 71.980 0.120 18156 6687 1 14 . 1 1 19 19 THR H H 19 8.140 8.140 8.166 -0.026 18156 6688 1 14 . 1 1 20 20 TRP N N 20 121.900 121.900 123.776 -1.876 18156 6689 1 14 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.787 0.113 18156 6690 1 14 . 1 1 20 20 TRP C C 20 176.600 176.600 177.042 -0.442 18156 6691 1 14 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.445 -0.445 18156 6692 1 14 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.628 -0.328 18156 6693 1 14 . 1 1 20 20 TRP H H 20 9.060 9.060 8.643 0.417 18156 6694 1 14 . 1 1 21 21 LYS N N 21 116.900 116.900 119.051 -2.151 18156 6695 1 14 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.766 -0.106 18156 6696 1 14 . 1 1 21 21 LYS C C 21 178.200 178.200 178.146 0.054 18156 6697 1 14 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.767 -0.067 18156 6698 1 14 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.926 0.274 18156 6699 1 14 . 1 1 21 21 LYS H H 21 8.320 8.320 8.145 0.175 18156 6700 1 14 . 1 1 22 22 ASP N N 22 119.000 119.000 119.280 -0.280 18156 6701 1 14 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.191 0.079 18156 6702 1 14 . 1 1 22 22 ASP C C 22 178.500 178.500 178.234 0.266 18156 6703 1 14 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.619 -0.619 18156 6704 1 14 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.479 0.821 18156 6705 1 14 . 1 1 22 22 ASP H H 22 7.670 7.670 7.589 0.081 18156 6706 1 14 . 1 1 23 23 PHE N N 23 120.000 120.000 120.728 -0.728 18156 6707 1 14 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.129 0.121 18156 6708 1 14 . 1 1 23 23 PHE C C 23 177.500 177.500 177.141 0.359 18156 6709 1 14 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.844 -0.045 18156 6710 1 14 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.925 -1.325 18156 6711 1 14 . 1 1 23 23 PHE H H 23 8.430 8.430 7.615 0.815 18156 6712 1 14 . 1 1 24 24 VAL N N 24 120.700 120.700 118.207 2.493 18156 6713 1 14 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.981 -0.251 18156 6714 1 14 . 1 1 24 24 VAL C C 24 178.200 178.200 177.628 0.572 18156 6715 1 14 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.450 0.450 18156 6716 1 14 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.585 1.515 18156 6717 1 14 . 1 1 24 24 VAL H H 24 8.250 8.250 7.786 0.464 18156 6718 1 14 . 1 1 25 25 ASN N N 25 116.700 116.700 115.897 0.803 18156 6719 1 14 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.267 -0.067 18156 6720 1 14 . 1 1 25 25 ASN C C 25 176.200 176.200 175.950 0.250 18156 6721 1 14 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.552 0.448 18156 6722 1 14 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.398 0.302 18156 6723 1 14 . 1 1 25 25 ASN H H 25 8.260 8.260 7.598 0.662 18156 6724 1 14 . 1 1 26 26 ASN N N 26 112.300 112.300 115.342 -3.042 18156 6725 1 14 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.522 0.078 18156 6726 1 14 . 1 1 26 26 ASN C C 26 174.500 174.500 175.384 -0.884 18156 6727 1 14 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.426 -0.826 18156 6728 1 14 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.171 -0.371 18156 6729 1 14 . 1 1 26 26 ASN H H 26 8.490 8.490 7.732 0.758 18156 6730 1 14 . 1 1 27 27 TYR N N 27 113.700 113.700 117.379 -3.679 18156 6731 1 14 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.701 0.129 18156 6732 1 14 . 1 1 27 27 TYR C C 27 176.500 176.500 176.792 -0.292 18156 6733 1 14 . 1 1 27 27 TYR CA C 27 58.200 58.200 58.498 -0.298 18156 6734 1 14 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.861 0.439 18156 6735 1 14 . 1 1 27 27 TYR H H 27 7.000 7.000 7.477 -0.477 18156 6736 1 14 . 1 1 28 28 LEU N N 28 122.700 122.700 121.254 1.446 18156 6737 1 14 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.789 0.041 18156 6738 1 14 . 1 1 28 28 LEU C C 28 179.700 179.700 178.821 0.879 18156 6739 1 14 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.511 0.789 18156 6740 1 14 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.473 -0.073 18156 6741 1 14 . 1 1 28 28 LEU H H 28 8.180 8.180 7.828 0.352 18156 6742 1 14 . 1 1 29 29 SER N N 29 109.300 109.300 114.108 -4.808 18156 6743 1 14 . 1 1 29 29 SER HA H 29 4.120 4.120 4.153 -0.033 18156 6744 1 14 . 1 1 29 29 SER C C 29 174.000 174.000 175.682 -1.682 18156 6745 1 14 . 1 1 29 29 SER CA C 29 60.300 60.300 60.906 -0.606 18156 6746 1 14 . 1 1 29 29 SER CB C 29 63.100 63.100 62.890 0.210 18156 6747 1 14 . 1 1 29 29 SER H H 29 7.940 7.940 8.144 -0.204 18156 6748 1 14 . 1 1 30 30 LYS N N 30 117.200 117.200 119.371 -2.171 18156 6749 1 14 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.425 0.035 18156 6750 1 14 . 1 1 30 30 LYS C C 30 177.200 177.200 176.186 1.014 18156 6751 1 14 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.408 -0.608 18156 6752 1 14 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.810 0.190 18156 6753 1 14 . 1 1 30 30 LYS H H 30 6.680 6.680 7.239 -0.559 18156 6754 1 14 . 1 1 31 31 GLY N N 31 107.100 107.100 108.534 -1.434 18156 6755 1 14 . 1 1 31 31 GLY C C 31 175.700 175.700 175.385 0.315 18156 6756 1 14 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.216 1.184 18156 6757 1 14 . 1 1 31 31 GLY H H 31 7.660 7.660 7.668 -0.008 18156 6758 1 14 . 1 1 32 32 VAL N N 32 107.300 107.300 110.908 -3.608 18156 6759 1 14 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.265 0.365 18156 6760 1 14 . 1 1 32 32 VAL C C 32 174.800 174.800 175.405 -0.605 18156 6761 1 14 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.655 -1.855 18156 6762 1 14 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.300 -0.200 18156 6763 1 14 . 1 1 32 32 VAL H H 32 6.910 6.910 7.444 -0.534 18156 6764 1 14 . 1 1 33 33 VAL N N 33 122.000 122.000 118.611 3.389 18156 6765 1 14 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.007 -0.007 18156 6766 1 14 . 1 1 33 33 VAL C C 33 174.500 174.500 175.184 -0.684 18156 6767 1 14 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.617 1.683 18156 6768 1 14 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.542 -0.442 18156 6769 1 14 . 1 1 33 33 VAL H H 33 8.180 8.180 7.406 0.774 18156 6770 1 14 . 1 1 34 34 ASP N N 34 128.200 128.200 125.714 2.486 18156 6771 1 14 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.627 0.133 18156 6772 1 14 . 1 1 34 34 ASP C C 34 175.400 175.400 175.629 -0.229 18156 6773 1 14 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.227 -0.927 18156 6774 1 14 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.931 0.669 18156 6775 1 14 . 1 1 34 34 ASP H H 34 9.150 9.150 8.832 0.318 18156 6776 1 14 . 1 1 35 35 ARG N N 35 112.200 112.200 114.161 -1.961 18156 6777 1 14 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.837 -0.217 18156 6778 1 14 . 1 1 35 35 ARG C C 35 172.900 172.900 173.897 -0.997 18156 6779 1 14 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.731 0.569 18156 6780 1 14 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.268 -0.168 18156 6781 1 14 . 1 1 35 35 ARG H H 35 7.440 7.440 7.734 -0.294 18156 6782 1 14 . 1 1 36 36 LEU N N 36 120.400 120.400 123.940 -3.540 18156 6783 1 14 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.001 0.019 18156 6784 1 14 . 1 1 36 36 LEU C C 36 174.800 174.800 175.569 -0.769 18156 6785 1 14 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.738 -0.738 18156 6786 1 14 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.773 0.127 18156 6787 1 14 . 1 1 36 36 LEU H H 36 8.410 8.410 8.978 -0.568 18156 6788 1 14 . 1 1 37 37 GLU N N 37 120.800 120.800 125.380 -4.580 18156 6789 1 14 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.675 0.255 18156 6790 1 14 . 1 1 37 37 GLU C C 37 174.400 174.400 175.543 -1.143 18156 6791 1 14 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.710 -1.410 18156 6792 1 14 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.622 1.078 18156 6793 1 14 . 1 1 37 37 GLU H H 37 8.470 8.470 8.710 -0.240 18156 6794 1 14 . 1 1 38 38 VAL N N 38 125.600 125.600 127.389 -1.789 18156 6795 1 14 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.883 0.127 18156 6796 1 14 . 1 1 38 38 VAL C C 38 175.500 175.500 175.068 0.432 18156 6797 1 14 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.724 -0.324 18156 6798 1 14 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.279 0.521 18156 6799 1 14 . 1 1 38 38 VAL H H 38 9.130 9.130 8.209 0.921 18156 6800 1 14 . 1 1 39 39 VAL N N 39 131.700 131.700 128.887 2.813 18156 6801 1 14 . 1 1 39 39 VAL HA H 39 4.180 4.180 4.235 -0.055 18156 6802 1 14 . 1 1 39 39 VAL C C 39 175.600 175.600 176.220 -0.620 18156 6803 1 14 . 1 1 39 39 VAL CA C 39 61.700 61.700 60.828 0.872 18156 6804 1 14 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.457 0.342 18156 6805 1 14 . 1 1 39 39 VAL H H 39 9.040 9.040 8.010 1.030 18156 6806 1 14 . 1 1 40 40 ASN N N 40 125.000 125.000 125.354 -0.354 18156 6807 1 14 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.273 0.187 18156 6808 1 14 . 1 1 40 40 ASN C C 40 173.300 173.300 174.859 -1.559 18156 6809 1 14 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.666 -0.566 18156 6810 1 14 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.144 -0.144 18156 6811 1 14 . 1 1 40 40 ASN H H 40 9.060 9.060 9.285 -0.225 18156 6812 1 14 . 1 1 41 41 LYS N N 41 109.900 109.900 110.953 -1.053 18156 6813 1 14 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.840 -0.600 18156 6814 1 14 . 1 1 41 41 LYS C C 41 175.000 175.000 175.560 -0.560 18156 6815 1 14 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.282 0.017 18156 6816 1 14 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.120 -0.520 18156 6817 1 14 . 1 1 41 41 LYS H H 41 9.250 9.250 8.395 0.855 18156 6818 1 14 . 1 1 42 42 ARG N N 42 115.800 115.800 117.457 -1.657 18156 6819 1 14 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.333 0.377 18156 6820 1 14 . 1 1 42 42 ARG C C 42 174.900 174.900 175.849 -0.949 18156 6821 1 14 . 1 1 42 42 ARG CA C 42 57.200 57.200 57.426 -0.226 18156 6822 1 14 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.247 1.953 18156 6823 1 14 . 1 1 42 42 ARG H H 42 8.110 8.110 7.672 0.438 18156 6824 1 14 . 1 1 43 43 PHE N N 43 115.100 115.100 111.287 3.813 18156 6825 1 14 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.173 -0.014 18156 6826 1 14 . 1 1 43 43 PHE C C 43 171.200 171.200 172.961 -1.761 18156 6827 1 14 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.602 0.098 18156 6828 1 14 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.862 -0.762 18156 6829 1 14 . 1 1 43 43 PHE H H 43 7.610 7.610 7.461 0.149 18156 6830 1 14 . 1 1 44 44 VAL N N 44 121.200 121.200 118.954 2.246 18156 6831 1 14 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.304 0.286 18156 6832 1 14 . 1 1 44 44 VAL C C 44 174.600 174.600 174.671 -0.071 18156 6833 1 14 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.588 -0.788 18156 6834 1 14 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.593 -0.693 18156 6835 1 14 . 1 1 44 44 VAL H H 44 9.030 9.030 8.646 0.384 18156 6836 1 14 . 1 1 45 45 ARG N N 45 125.000 125.000 128.634 -3.634 18156 6837 1 14 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.498 0.462 18156 6838 1 14 . 1 1 45 45 ARG C C 45 175.400 175.400 175.069 0.331 18156 6839 1 14 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.547 0.453 18156 6840 1 14 . 1 1 45 45 ARG CB C 45 33.200 33.200 30.034 3.166 18156 6841 1 14 . 1 1 45 45 ARG H H 45 9.320 9.320 8.717 0.603 18156 6842 1 14 . 1 1 46 46 VAL N N 46 127.200 127.200 130.445 -3.245 18156 6843 1 14 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.032 0.078 18156 6844 1 14 . 1 1 46 46 VAL C C 46 174.700 174.700 174.870 -0.170 18156 6845 1 14 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.472 -0.272 18156 6846 1 14 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.443 1.657 18156 6847 1 14 . 1 1 46 46 VAL H H 46 8.770 8.770 8.292 0.478 18156 6848 1 14 . 1 1 47 47 THR N N 47 120.800 120.800 123.793 -2.993 18156 6849 1 14 . 1 1 47 47 THR HA H 47 4.700 4.700 4.813 -0.113 18156 6850 1 14 . 1 1 47 47 THR C C 47 174.500 174.500 173.291 1.209 18156 6851 1 14 . 1 1 47 47 THR CA C 47 61.300 61.300 61.453 -0.153 18156 6852 1 14 . 1 1 47 47 THR CB C 47 69.800 69.800 70.231 -0.431 18156 6853 1 14 . 1 1 47 47 THR H H 47 8.110 8.110 8.274 -0.164 18156 6854 1 14 . 1 1 48 48 PHE N N 48 125.700 125.700 124.941 0.759 18156 6855 1 14 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.776 0.574 18156 6856 1 14 . 1 1 48 48 PHE C C 48 176.000 176.000 176.676 -0.676 18156 6857 1 14 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.938 0.362 18156 6858 1 14 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.335 0.065 18156 6859 1 14 . 1 1 48 48 PHE H H 48 9.000 9.000 9.215 -0.215 18156 6860 1 14 . 1 1 49 49 THR N N 49 118.900 118.900 114.125 4.775 18156 6861 1 14 . 1 1 49 49 THR HA H 49 4.330 4.330 4.841 -0.511 18156 6862 1 14 . 1 1 49 49 THR CA C 49 61.200 61.200 59.760 1.440 18156 6863 1 14 . 1 1 49 49 THR CB C 49 69.400 69.400 68.846 0.554 18156 6864 1 14 . 1 1 49 49 THR H H 49 8.620 8.620 8.393 0.227 18156 6865 1 14 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.649 -0.289 18156 6866 1 14 . 1 1 50 50 PRO C C 50 177.700 177.700 178.142 -0.442 18156 6867 1 14 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.821 -0.321 18156 6868 1 14 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.880 -0.080 18156 6869 1 14 . 1 1 51 51 GLY N N 51 111.300 111.300 106.475 4.825 18156 6870 1 14 . 1 1 51 51 GLY C C 51 175.200 175.200 175.641 -0.441 18156 6871 1 14 . 1 1 51 51 GLY CA C 51 45.400 45.400 46.315 -0.915 18156 6872 1 14 . 1 1 51 51 GLY H H 51 8.880 8.880 8.515 0.365 18156 6873 1 14 . 1 1 52 52 LYS N N 52 118.900 118.900 120.510 -1.610 18156 6874 1 14 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.401 0.169 18156 6875 1 14 . 1 1 52 52 LYS C C 52 175.800 175.800 177.383 -1.583 18156 6876 1 14 . 1 1 52 52 LYS CA C 52 54.800 54.800 56.883 -2.083 18156 6877 1 14 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.267 -0.667 18156 6878 1 14 . 1 1 52 52 LYS H H 52 8.110 8.110 7.734 0.376 18156 6879 1 14 . 1 1 53 53 THR N N 53 114.700 114.700 115.405 -0.705 18156 6880 1 14 . 1 1 53 53 THR HA H 53 4.180 4.180 4.506 -0.326 18156 6881 1 14 . 1 1 53 53 THR CA C 53 60.400 60.400 59.898 0.502 18156 6882 1 14 . 1 1 53 53 THR CB C 53 69.100 69.100 68.817 0.283 18156 6883 1 14 . 1 1 53 53 THR H H 53 7.700 7.700 7.831 -0.131 18156 6884 1 14 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.513 -0.103 18156 6885 1 14 . 1 1 54 54 PRO C C 54 177.500 177.500 177.897 -0.397 18156 6886 1 14 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.148 1.052 18156 6887 1 14 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.352 -0.052 18156 6888 1 14 . 1 1 55 55 VAL N N 55 119.300 119.300 114.067 5.233 18156 6889 1 14 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.936 0.064 18156 6890 1 14 . 1 1 55 55 VAL C C 55 176.000 176.000 176.123 -0.123 18156 6891 1 14 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.799 -1.499 18156 6892 1 14 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.330 1.070 18156 6893 1 14 . 1 1 55 55 VAL H H 55 8.190 8.190 8.191 -0.001 18156 6894 1 14 . 1 1 56 56 ASP N N 56 120.300 120.300 116.503 3.797 18156 6895 1 14 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.959 -0.389 18156 6896 1 14 . 1 1 56 56 ASP C C 56 177.000 177.000 177.373 -0.373 18156 6897 1 14 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.492 -0.192 18156 6898 1 14 . 1 1 56 56 ASP CB C 56 40.700 40.700 42.560 -1.860 18156 6899 1 14 . 1 1 56 56 ASP H H 56 8.170 8.170 8.116 0.054 18156 6900 1 14 . 1 1 57 57 GLY N N 57 108.300 108.300 110.463 -2.163 18156 6901 1 14 . 1 1 57 57 GLY C C 57 173.700 173.700 173.228 0.472 18156 6902 1 14 . 1 1 57 57 GLY CA C 57 45.800 45.800 46.497 -0.697 18156 6903 1 14 . 1 1 57 57 GLY H H 57 8.110 8.110 8.382 -0.272 18156 6904 1 14 . 1 1 58 58 GLN N N 58 118.900 118.900 119.632 -0.732 18156 6905 1 14 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.266 0.234 18156 6906 1 14 . 1 1 58 58 GLN C C 58 175.700 175.700 174.142 1.558 18156 6907 1 14 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.453 1.747 18156 6908 1 14 . 1 1 58 58 GLN CB C 58 30.200 30.200 28.947 1.253 18156 6909 1 14 . 1 1 58 58 GLN H H 58 8.070 8.070 7.466 0.604 18156 6910 1 14 . 1 1 59 59 TYR N N 59 118.800 118.800 123.597 -4.797 18156 6911 1 14 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.876 0.254 18156 6912 1 14 . 1 1 59 59 TYR C C 59 177.500 177.500 175.567 1.933 18156 6913 1 14 . 1 1 59 59 TYR CA C 59 56.700 56.700 60.063 -3.363 18156 6914 1 14 . 1 1 59 59 TYR CB C 59 39.300 39.300 38.105 1.195 18156 6915 1 14 . 1 1 59 59 TYR H H 59 8.110 8.110 8.221 -0.111 18156 6916 1 14 . 1 1 60 60 VAL N N 60 115.600 115.600 117.989 -2.389 18156 6917 1 14 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.553 -0.053 18156 6918 1 14 . 1 1 60 60 VAL C C 60 174.700 174.700 175.559 -0.859 18156 6919 1 14 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.331 0.669 18156 6920 1 14 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.970 -0.970 18156 6921 1 14 . 1 1 60 60 VAL H H 60 8.250 8.250 8.581 -0.331 18156 6922 1 14 . 1 1 61 61 TRP N N 61 120.800 120.800 118.186 2.614 18156 6923 1 14 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.321 0.599 18156 6924 1 14 . 1 1 61 61 TRP C C 61 172.700 172.700 173.603 -0.903 18156 6925 1 14 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.837 -0.837 18156 6926 1 14 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.318 0.582 18156 6927 1 14 . 1 1 61 61 TRP H H 61 8.500 8.500 8.636 -0.136 18156 6928 1 14 . 1 1 62 62 PHE N N 62 112.100 112.100 114.682 -2.582 18156 6929 1 14 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.903 0.137 18156 6930 1 14 . 1 1 62 62 PHE C C 62 174.800 174.800 173.540 1.260 18156 6931 1 14 . 1 1 62 62 PHE CA C 62 55.400 55.400 57.043 -1.643 18156 6932 1 14 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.478 0.422 18156 6933 1 14 . 1 1 62 62 PHE H H 62 8.700 8.700 8.158 0.542 18156 6934 1 14 . 1 1 63 63 ASN N N 63 120.800 120.800 120.544 0.256 18156 6935 1 14 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.064 0.096 18156 6936 1 14 . 1 1 63 63 ASN C C 63 175.800 175.800 175.458 0.342 18156 6937 1 14 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.724 1.377 18156 6938 1 14 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.267 1.333 18156 6939 1 14 . 1 1 63 63 ASN H H 63 9.340 9.340 8.708 0.632 18156 6940 1 14 . 1 1 64 64 ILE N N 64 113.400 113.400 118.510 -5.110 18156 6941 1 14 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.402 0.248 18156 6942 1 14 . 1 1 64 64 ILE C C 64 175.300 175.300 177.150 -1.850 18156 6943 1 14 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.722 -1.622 18156 6944 1 14 . 1 1 64 64 ILE CB C 64 42.100 42.100 38.651 3.449 18156 6945 1 14 . 1 1 64 64 ILE H H 64 7.820 7.820 8.278 -0.458 18156 6946 1 14 . 1 1 65 65 GLY N N 65 110.700 110.700 109.605 1.095 18156 6947 1 14 . 1 1 65 65 GLY C C 65 174.300 174.300 175.415 -1.115 18156 6948 1 14 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.525 -0.725 18156 6949 1 14 . 1 1 65 65 GLY H H 65 8.570 8.570 8.057 0.513 18156 6950 1 14 . 1 1 66 66 SER N N 66 113.800 113.800 121.051 -7.251 18156 6951 1 14 . 1 1 66 66 SER HA H 66 4.730 4.730 4.694 0.036 18156 6952 1 14 . 1 1 66 66 SER C C 66 175.500 175.500 175.339 0.161 18156 6953 1 14 . 1 1 66 66 SER CA C 66 56.800 56.800 57.589 -0.789 18156 6954 1 14 . 1 1 66 66 SER CB C 66 64.500 64.500 62.766 1.734 18156 6955 1 14 . 1 1 66 66 SER H H 66 7.680 7.680 7.980 -0.300 18156 6956 1 14 . 1 1 67 67 VAL N N 67 127.000 127.000 126.292 0.708 18156 6957 1 14 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.747 0.073 18156 6958 1 14 . 1 1 67 67 VAL C C 67 176.700 176.700 177.387 -0.687 18156 6959 1 14 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.414 0.186 18156 6960 1 14 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.668 0.032 18156 6961 1 14 . 1 1 67 67 VAL H H 67 9.150 9.150 7.885 1.265 18156 6962 1 14 . 1 1 68 68 ASP N N 68 118.800 118.800 118.240 0.560 18156 6963 1 14 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.393 0.057 18156 6964 1 14 . 1 1 68 68 ASP C C 68 178.700 178.700 178.217 0.483 18156 6965 1 14 . 1 1 68 68 ASP CA C 68 57.300 57.300 58.056 -0.756 18156 6966 1 14 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.343 0.357 18156 6967 1 14 . 1 1 68 68 ASP H H 68 8.320 8.320 8.658 -0.338 18156 6968 1 14 . 1 1 69 69 THR N N 69 114.500 114.500 115.349 -0.849 18156 6969 1 14 . 1 1 69 69 THR HA H 69 3.910 3.910 3.980 -0.070 18156 6970 1 14 . 1 1 69 69 THR C C 69 175.500 175.500 176.496 -0.996 18156 6971 1 14 . 1 1 69 69 THR CA C 69 65.600 65.600 65.982 -0.382 18156 6972 1 14 . 1 1 69 69 THR CB C 69 68.900 68.900 68.258 0.642 18156 6973 1 14 . 1 1 69 69 THR H H 69 7.710 7.710 8.040 -0.330 18156 6974 1 14 . 1 1 70 70 PHE N N 70 122.800 122.800 122.276 0.524 18156 6975 1 14 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.706 0.614 18156 6976 1 14 . 1 1 70 70 PHE C C 70 176.000 176.000 176.813 -0.813 18156 6977 1 14 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.289 -0.790 18156 6978 1 14 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.838 0.262 18156 6979 1 14 . 1 1 70 70 PHE H H 70 7.680 7.680 8.042 -0.362 18156 6980 1 14 . 1 1 71 71 GLU N N 71 118.400 118.400 119.218 -0.818 18156 6981 1 14 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.683 -0.313 18156 6982 1 14 . 1 1 71 71 GLU C C 71 179.900 179.900 178.961 0.939 18156 6983 1 14 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.477 0.723 18156 6984 1 14 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.494 -0.294 18156 6985 1 14 . 1 1 71 71 GLU H H 71 8.660 8.660 7.997 0.663 18156 6986 1 14 . 1 1 72 72 ARG N N 72 119.500 119.500 118.133 1.367 18156 6987 1 14 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.976 0.184 18156 6988 1 14 . 1 1 72 72 ARG C C 72 179.200 179.200 178.877 0.323 18156 6989 1 14 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.633 0.467 18156 6990 1 14 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.483 0.617 18156 6991 1 14 . 1 1 72 72 ARG H H 72 7.960 7.960 8.410 -0.450 18156 6992 1 14 . 1 1 73 73 ASN N N 73 119.900 119.900 118.373 1.527 18156 6993 1 14 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.496 0.014 18156 6994 1 14 . 1 1 73 73 ASN C C 73 178.100 178.100 177.464 0.636 18156 6995 1 14 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.762 -0.262 18156 6996 1 14 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.968 -0.568 18156 6997 1 14 . 1 1 73 73 ASN H H 73 8.610 8.610 7.918 0.692 18156 6998 1 14 . 1 1 74 74 LEU N N 74 121.900 121.900 122.194 -0.294 18156 6999 1 14 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.287 -0.037 18156 7000 1 14 . 1 1 74 74 LEU C C 74 179.100 179.100 178.637 0.463 18156 7001 1 14 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.457 -0.157 18156 7002 1 14 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.649 0.151 18156 7003 1 14 . 1 1 74 74 LEU H H 74 8.720 8.720 8.110 0.610 18156 7004 1 14 . 1 1 75 75 GLU N N 75 120.700 120.700 117.781 2.919 18156 7005 1 14 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.975 0.135 18156 7006 1 14 . 1 1 75 75 GLU C C 75 178.900 178.900 179.478 -0.578 18156 7007 1 14 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.364 0.536 18156 7008 1 14 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.032 0.268 18156 7009 1 14 . 1 1 75 75 GLU H H 75 8.070 8.070 8.519 -0.449 18156 7010 1 14 . 1 1 76 76 THR N N 76 115.700 115.700 117.516 -1.816 18156 7011 1 14 . 1 1 76 76 THR HA H 76 4.000 4.000 4.011 -0.011 18156 7012 1 14 . 1 1 76 76 THR C C 76 176.600 176.600 176.830 -0.230 18156 7013 1 14 . 1 1 76 76 THR CA C 76 66.500 66.500 66.165 0.335 18156 7014 1 14 . 1 1 76 76 THR CB C 76 69.000 69.000 68.928 0.072 18156 7015 1 14 . 1 1 76 76 THR H H 76 8.400 8.400 7.560 0.840 18156 7016 1 14 . 1 1 77 77 LEU N N 77 122.200 122.200 122.959 -0.759 18156 7017 1 14 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.365 -0.105 18156 7018 1 14 . 1 1 77 77 LEU C C 77 179.200 179.200 178.595 0.605 18156 7019 1 14 . 1 1 77 77 LEU CA C 77 57.300 57.300 57.933 -0.633 18156 7020 1 14 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.721 0.179 18156 7021 1 14 . 1 1 77 77 LEU H H 77 8.330 8.330 8.494 -0.164 18156 7022 1 14 . 1 1 78 78 GLN N N 78 115.700 115.700 117.370 -1.670 18156 7023 1 14 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.912 -0.032 18156 7024 1 14 . 1 1 78 78 GLN C C 78 177.600 177.600 178.586 -0.986 18156 7025 1 14 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.181 2.119 18156 7026 1 14 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.517 0.882 18156 7027 1 14 . 1 1 78 78 GLN H H 78 8.200 8.200 8.129 0.071 18156 7028 1 14 . 1 1 79 79 GLN N N 79 118.400 118.400 118.861 -0.461 18156 7029 1 14 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.295 -0.155 18156 7030 1 14 . 1 1 79 79 GLN C C 79 180.000 180.000 178.814 1.186 18156 7031 1 14 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.657 0.543 18156 7032 1 14 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.799 -0.599 18156 7033 1 14 . 1 1 79 79 GLN H H 79 7.980 7.980 7.695 0.285 18156 7034 1 14 . 1 1 80 80 GLU N N 80 121.700 121.700 119.836 1.864 18156 7035 1 14 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.095 -0.045 18156 7036 1 14 . 1 1 80 80 GLU C C 80 178.800 178.800 178.613 0.187 18156 7037 1 14 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.678 0.622 18156 7038 1 14 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.617 -0.017 18156 7039 1 14 . 1 1 80 80 GLU H H 80 8.400 8.400 7.942 0.458 18156 7040 1 14 . 1 1 81 81 LEU N N 81 117.200 117.200 117.844 -0.644 18156 7041 1 14 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.240 0.060 18156 7042 1 14 . 1 1 81 81 LEU C C 81 177.400 177.400 178.078 -0.678 18156 7043 1 14 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.804 -0.705 18156 7044 1 14 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.438 0.362 18156 7045 1 14 . 1 1 81 81 LEU H H 81 8.120 8.120 8.163 -0.043 18156 7046 1 14 . 1 1 82 82 GLY N N 82 108.900 108.900 106.296 2.604 18156 7047 1 14 . 1 1 82 82 GLY C C 82 174.600 174.600 174.697 -0.097 18156 7048 1 14 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.180 1.120 18156 7049 1 14 . 1 1 82 82 GLY H H 82 7.840 7.840 7.540 0.300 18156 7050 1 14 . 1 1 83 83 ILE N N 83 121.900 121.900 123.432 -1.532 18156 7051 1 14 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.935 0.065 18156 7052 1 14 . 1 1 83 83 ILE C C 83 175.300 175.300 175.028 0.272 18156 7053 1 14 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.504 -1.004 18156 7054 1 14 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.517 0.283 18156 7055 1 14 . 1 1 83 83 ILE H H 83 8.250 8.250 8.022 0.228 18156 7056 1 14 . 1 1 84 84 GLU N N 84 126.600 126.600 127.061 -0.461 18156 7057 1 14 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.690 -0.190 18156 7058 1 14 . 1 1 84 84 GLU C C 84 177.400 177.400 177.270 0.130 18156 7059 1 14 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.533 0.767 18156 7060 1 14 . 1 1 84 84 GLU CB C 84 32.600 32.600 33.286 -0.686 18156 7061 1 14 . 1 1 84 84 GLU H H 84 8.760 8.760 8.406 0.354 18156 7062 1 14 . 1 1 85 85 GLY N N 85 109.400 109.400 113.547 -4.147 18156 7063 1 14 . 1 1 85 85 GLY C C 85 176.600 176.600 176.052 0.548 18156 7064 1 14 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.751 0.649 18156 7065 1 14 . 1 1 85 85 GLY H H 85 8.870 8.870 8.792 0.078 18156 7066 1 14 . 1 1 86 86 GLU N N 86 123.900 123.900 123.568 0.332 18156 7067 1 14 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.109 0.141 18156 7068 1 14 . 1 1 86 86 GLU C C 86 176.200 176.200 177.320 -1.120 18156 7069 1 14 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.095 -0.295 18156 7070 1 14 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.232 -0.132 18156 7071 1 14 . 1 1 86 86 GLU H H 86 9.240 9.240 8.818 0.422 18156 7072 1 14 . 1 1 87 87 ASN N N 87 115.900 115.900 116.575 -0.675 18156 7073 1 14 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.621 0.209 18156 7074 1 14 . 1 1 87 87 ASN C C 87 174.600 174.600 175.364 -0.764 18156 7075 1 14 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.820 -0.620 18156 7076 1 14 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.450 -0.050 18156 7077 1 14 . 1 1 87 87 ASN H H 87 8.050 8.050 7.705 0.345 18156 7078 1 14 . 1 1 88 88 ARG N N 88 119.300 119.300 119.102 0.198 18156 7079 1 14 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.325 -0.275 18156 7080 1 14 . 1 1 88 88 ARG C C 88 176.600 176.600 176.265 0.335 18156 7081 1 14 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.447 0.153 18156 7082 1 14 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.698 -0.098 18156 7083 1 14 . 1 1 88 88 ARG H H 88 7.230 7.230 7.377 -0.147 18156 7084 1 14 . 1 1 89 89 VAL N N 89 124.700 124.700 125.685 -0.985 18156 7085 1 14 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.192 0.098 18156 7086 1 14 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.991 -0.991 18156 7087 1 14 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.660 1.440 18156 7088 1 14 . 1 1 89 89 VAL H H 89 8.780 8.780 8.269 0.511 18156 7089 1 14 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.478 0.032 18156 7090 1 14 . 1 1 90 90 PRO C C 90 175.100 175.100 175.479 -0.379 18156 7091 1 14 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.210 -0.110 18156 7092 1 14 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.354 0.246 18156 7093 1 14 . 1 1 91 91 VAL N N 91 121.600 121.600 123.928 -2.328 18156 7094 1 14 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.722 0.088 18156 7095 1 14 . 1 1 91 91 VAL C C 91 176.100 176.100 176.133 -0.033 18156 7096 1 14 . 1 1 91 91 VAL CA C 91 61.300 61.300 62.050 -0.750 18156 7097 1 14 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.644 1.556 18156 7098 1 14 . 1 1 91 91 VAL H H 91 8.030 8.030 8.383 -0.353 18156 7099 1 14 . 1 1 92 92 VAL N N 92 124.800 124.800 129.393 -4.593 18156 7100 1 14 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.284 0.256 18156 7101 1 14 . 1 1 92 92 VAL C C 92 173.600 173.600 174.955 -1.355 18156 7102 1 14 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.134 -1.434 18156 7103 1 14 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.255 2.645 18156 7104 1 14 . 1 1 92 92 VAL H H 92 8.640 8.640 8.505 0.135 18156 7105 1 14 . 1 1 93 93 TYR N N 93 124.700 124.700 127.950 -3.250 18156 7106 1 14 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.506 0.424 18156 7107 1 14 . 1 1 93 93 TYR C C 93 175.700 175.700 176.109 -0.409 18156 7108 1 14 . 1 1 93 93 TYR CA C 93 57.400 57.400 59.006 -1.606 18156 7109 1 14 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.198 1.302 18156 7110 1 14 . 1 1 93 93 TYR H H 93 8.800 8.800 8.638 0.162 18156 7111 1 14 . 1 1 94 94 ILE N N 94 123.100 123.100 126.090 -2.990 18156 7112 1 14 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.250 0.260 18156 7113 1 14 . 1 1 94 94 ILE C C 94 173.700 173.700 174.762 -1.062 18156 7114 1 14 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.697 -1.497 18156 7115 1 14 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.599 1.901 18156 7116 1 14 . 1 1 94 94 ILE H H 94 9.000 9.000 7.937 1.063 18156 7117 1 14 . 1 1 95 95 ALA N N 95 128.000 128.000 130.665 -2.665 18156 7118 1 14 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.593 0.397 18156 7119 1 14 . 1 1 95 95 ALA C C 95 177.000 177.000 176.034 0.966 18156 7120 1 14 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.051 -0.551 18156 7121 1 14 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.765 0.635 18156 7122 1 14 . 1 1 95 95 ALA H H 95 8.450 8.450 8.619 -0.169 18156 7123 1 14 . 1 1 96 96 GLU N N 96 122.200 122.200 124.281 -2.081 18156 7124 1 14 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.556 -0.036 18156 7125 1 14 . 1 1 96 96 GLU C C 96 176.000 176.000 175.395 0.605 18156 7126 1 14 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.832 -0.332 18156 7127 1 14 . 1 1 96 96 GLU CB C 96 32.800 32.800 32.142 0.658 18156 7128 1 14 . 1 1 96 96 GLU H H 96 8.850 8.850 8.619 0.231 18156 7129 1 14 . 1 1 97 97 SER N N 97 118.600 118.600 121.000 -2.400 18156 7130 1 14 . 1 1 97 97 SER HA H 97 4.430 4.430 4.396 0.034 18156 7131 1 14 . 1 1 97 97 SER C C 97 174.200 174.200 173.921 0.279 18156 7132 1 14 . 1 1 97 97 SER CA C 97 58.500 58.500 58.475 0.025 18156 7133 1 14 . 1 1 97 97 SER CB C 97 63.800 63.800 63.892 -0.093 18156 7134 1 14 . 1 1 97 97 SER H H 97 8.650 8.650 8.612 0.038 18156 7135 1 14 . 1 1 98 98 ASP N N 98 123.200 123.200 123.433 -0.233 18156 7136 1 14 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.512 0.158 18156 7137 1 14 . 1 1 98 98 ASP C C 98 175.500 175.500 176.127 -0.627 18156 7138 1 14 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.660 -0.260 18156 7139 1 14 . 1 1 98 98 ASP CB C 98 41.400 41.400 39.898 1.502 18156 7140 1 14 . 1 1 98 98 ASP H H 98 8.500 8.500 8.681 -0.181 18156 7141 1 15 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.063 -1.563 18156 7142 1 15 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.762 -0.172 18156 7143 1 15 . 1 1 10 10 HIS C C 10 175.500 175.500 174.530 0.970 18156 7144 1 15 . 1 1 10 10 HIS CA C 10 56.500 56.500 54.769 1.731 18156 7145 1 15 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.869 -0.669 18156 7146 1 15 . 1 1 11 11 MET N N 11 120.900 120.900 121.680 -0.780 18156 7147 1 15 . 1 1 11 11 MET HA H 11 4.290 4.290 4.392 -0.102 18156 7148 1 15 . 1 1 11 11 MET C C 11 176.300 176.300 175.701 0.599 18156 7149 1 15 . 1 1 11 11 MET CA C 11 55.900 55.900 56.720 -0.820 18156 7150 1 15 . 1 1 11 11 MET CB C 11 32.700 32.700 33.105 -0.405 18156 7151 1 15 . 1 1 11 11 MET H H 11 8.210 8.210 8.344 -0.134 18156 7152 1 15 . 1 1 12 12 LYS N N 12 122.100 122.100 126.238 -4.138 18156 7153 1 15 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.473 -0.343 18156 7154 1 15 . 1 1 12 12 LYS C C 12 176.700 176.700 175.001 1.699 18156 7155 1 15 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.105 0.695 18156 7156 1 15 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.927 -0.127 18156 7157 1 15 . 1 1 12 12 LYS H H 12 8.300 8.300 8.513 -0.213 18156 7158 1 15 . 1 1 13 13 ARG N N 13 121.500 121.500 119.196 2.304 18156 7159 1 15 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.087 0.183 18156 7160 1 15 . 1 1 13 13 ARG C C 13 176.200 176.200 175.281 0.919 18156 7161 1 15 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.489 -0.289 18156 7162 1 15 . 1 1 13 13 ARG CB C 13 30.800 30.800 28.604 2.196 18156 7163 1 15 . 1 1 13 13 ARG H H 13 8.160 8.160 8.200 -0.040 18156 7164 1 15 . 1 1 14 14 SER N N 14 116.700 116.700 117.276 -0.576 18156 7165 1 15 . 1 1 14 14 SER HA H 14 4.530 4.530 4.545 -0.015 18156 7166 1 15 . 1 1 14 14 SER C C 14 173.600 173.600 174.461 -0.861 18156 7167 1 15 . 1 1 14 14 SER CA C 14 58.300 58.300 58.791 -0.491 18156 7168 1 15 . 1 1 14 14 SER CB C 14 64.100 64.100 64.219 -0.118 18156 7169 1 15 . 1 1 14 14 SER H H 14 8.160 8.160 8.419 -0.259 18156 7170 1 15 . 1 1 15 15 GLY N N 15 109.300 109.300 111.714 -2.414 18156 7171 1 15 . 1 1 15 15 GLY C C 15 173.000 173.000 172.890 0.110 18156 7172 1 15 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.651 0.049 18156 7173 1 15 . 1 1 15 15 GLY H H 15 8.100 8.100 8.541 -0.441 18156 7174 1 15 . 1 1 16 16 ARG N N 16 122.300 122.300 122.440 -0.140 18156 7175 1 15 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.677 -0.147 18156 7176 1 15 . 1 1 16 16 ARG C C 16 173.200 173.200 174.227 -1.027 18156 7177 1 15 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.242 0.058 18156 7178 1 15 . 1 1 16 16 ARG CB C 16 32.900 32.900 34.106 -1.206 18156 7179 1 15 . 1 1 16 16 ARG H H 16 8.460 8.460 8.625 -0.165 18156 7180 1 15 . 1 1 17 17 GLU N N 17 126.800 126.800 126.417 0.383 18156 7181 1 15 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.973 -0.753 18156 7182 1 15 . 1 1 17 17 GLU C C 17 177.000 177.000 175.937 1.063 18156 7183 1 15 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.460 -0.460 18156 7184 1 15 . 1 1 17 17 GLU CB C 17 30.100 30.100 30.243 -0.143 18156 7185 1 15 . 1 1 17 17 GLU H H 17 8.190 8.190 8.412 -0.222 18156 7186 1 15 . 1 1 18 18 ILE N N 18 122.600 122.600 119.849 2.751 18156 7187 1 15 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.665 0.295 18156 7188 1 15 . 1 1 18 18 ILE C C 18 174.600 174.600 174.401 0.199 18156 7189 1 15 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.772 0.428 18156 7190 1 15 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.992 -0.092 18156 7191 1 15 . 1 1 18 18 ILE H H 18 8.870 8.870 8.548 0.322 18156 7192 1 15 . 1 1 19 19 THR N N 19 108.700 108.700 110.421 -1.721 18156 7193 1 15 . 1 1 19 19 THR HA H 19 4.760 4.760 4.767 -0.007 18156 7194 1 15 . 1 1 19 19 THR C C 19 175.400 175.400 175.286 0.114 18156 7195 1 15 . 1 1 19 19 THR CA C 19 59.800 59.800 59.691 0.109 18156 7196 1 15 . 1 1 19 19 THR CB C 19 72.100 72.100 72.154 -0.054 18156 7197 1 15 . 1 1 19 19 THR H H 19 8.140 8.140 8.358 -0.218 18156 7198 1 15 . 1 1 20 20 TRP N N 20 121.900 121.900 123.870 -1.970 18156 7199 1 15 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.760 0.140 18156 7200 1 15 . 1 1 20 20 TRP C C 20 176.600 176.600 177.004 -0.404 18156 7201 1 15 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.673 -0.673 18156 7202 1 15 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.652 -0.352 18156 7203 1 15 . 1 1 20 20 TRP H H 20 9.060 9.060 8.752 0.308 18156 7204 1 15 . 1 1 21 21 LYS N N 21 116.900 116.900 119.014 -2.114 18156 7205 1 15 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.800 -0.140 18156 7206 1 15 . 1 1 21 21 LYS C C 21 178.200 178.200 178.091 0.109 18156 7207 1 15 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.621 0.079 18156 7208 1 15 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.044 0.156 18156 7209 1 15 . 1 1 21 21 LYS H H 21 8.320 8.320 8.292 0.028 18156 7210 1 15 . 1 1 22 22 ASP N N 22 119.000 119.000 119.445 -0.445 18156 7211 1 15 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.354 -0.084 18156 7212 1 15 . 1 1 22 22 ASP C C 22 178.500 178.500 178.643 -0.143 18156 7213 1 15 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.525 -0.525 18156 7214 1 15 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.698 0.602 18156 7215 1 15 . 1 1 22 22 ASP H H 22 7.670 7.670 7.721 -0.051 18156 7216 1 15 . 1 1 23 23 PHE N N 23 120.000 120.000 121.531 -1.531 18156 7217 1 15 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.282 -0.032 18156 7218 1 15 . 1 1 23 23 PHE C C 23 177.500 177.500 177.082 0.418 18156 7219 1 15 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.933 -0.133 18156 7220 1 15 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.745 -1.145 18156 7221 1 15 . 1 1 23 23 PHE H H 23 8.430 8.430 7.949 0.481 18156 7222 1 15 . 1 1 24 24 VAL N N 24 120.700 120.700 118.450 2.250 18156 7223 1 15 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.887 -0.157 18156 7224 1 15 . 1 1 24 24 VAL C C 24 178.200 178.200 177.931 0.269 18156 7225 1 15 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.424 0.476 18156 7226 1 15 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.523 1.577 18156 7227 1 15 . 1 1 24 24 VAL H H 24 8.250 8.250 7.967 0.283 18156 7228 1 15 . 1 1 25 25 ASN N N 25 116.700 116.700 118.466 -1.766 18156 7229 1 15 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.399 -0.199 18156 7230 1 15 . 1 1 25 25 ASN C C 25 176.200 176.200 177.363 -1.163 18156 7231 1 15 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.631 0.369 18156 7232 1 15 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.147 0.553 18156 7233 1 15 . 1 1 25 25 ASN H H 25 8.260 8.260 7.741 0.519 18156 7234 1 15 . 1 1 26 26 ASN N N 26 112.300 112.300 116.392 -4.092 18156 7235 1 15 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.560 0.040 18156 7236 1 15 . 1 1 26 26 ASN C C 26 174.500 174.500 175.185 -0.685 18156 7237 1 15 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.809 -1.208 18156 7238 1 15 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.986 -0.186 18156 7239 1 15 . 1 1 26 26 ASN H H 26 8.490 8.490 8.014 0.476 18156 7240 1 15 . 1 1 27 27 TYR N N 27 113.700 113.700 118.152 -4.452 18156 7241 1 15 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.566 0.264 18156 7242 1 15 . 1 1 27 27 TYR C C 27 176.500 176.500 177.132 -0.632 18156 7243 1 15 . 1 1 27 27 TYR CA C 27 58.200 58.200 60.149 -1.949 18156 7244 1 15 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.109 0.191 18156 7245 1 15 . 1 1 27 27 TYR H H 27 7.000 7.000 7.400 -0.400 18156 7246 1 15 . 1 1 28 28 LEU N N 28 122.700 122.700 121.468 1.232 18156 7247 1 15 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.828 0.002 18156 7248 1 15 . 1 1 28 28 LEU C C 28 179.700 179.700 178.853 0.847 18156 7249 1 15 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.700 0.599 18156 7250 1 15 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.246 0.154 18156 7251 1 15 . 1 1 28 28 LEU H H 28 8.180 8.180 8.165 0.015 18156 7252 1 15 . 1 1 29 29 SER N N 29 109.300 109.300 115.016 -5.716 18156 7253 1 15 . 1 1 29 29 SER HA H 29 4.120 4.120 4.231 -0.111 18156 7254 1 15 . 1 1 29 29 SER C C 29 174.000 174.000 175.269 -1.269 18156 7255 1 15 . 1 1 29 29 SER CA C 29 60.300 60.300 60.868 -0.568 18156 7256 1 15 . 1 1 29 29 SER CB C 29 63.100 63.100 62.803 0.297 18156 7257 1 15 . 1 1 29 29 SER H H 29 7.940 7.940 8.147 -0.207 18156 7258 1 15 . 1 1 30 30 LYS N N 30 117.200 117.200 119.461 -2.261 18156 7259 1 15 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.433 0.027 18156 7260 1 15 . 1 1 30 30 LYS C C 30 177.200 177.200 176.488 0.712 18156 7261 1 15 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.856 -1.056 18156 7262 1 15 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.803 0.197 18156 7263 1 15 . 1 1 30 30 LYS H H 30 6.680 6.680 7.286 -0.606 18156 7264 1 15 . 1 1 31 31 GLY N N 31 107.100 107.100 107.651 -0.551 18156 7265 1 15 . 1 1 31 31 GLY C C 31 175.700 175.700 175.502 0.198 18156 7266 1 15 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.142 1.258 18156 7267 1 15 . 1 1 31 31 GLY H H 31 7.660 7.660 7.817 -0.157 18156 7268 1 15 . 1 1 32 32 VAL N N 32 107.300 107.300 113.807 -6.507 18156 7269 1 15 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.519 0.112 18156 7270 1 15 . 1 1 32 32 VAL C C 32 174.800 174.800 175.271 -0.471 18156 7271 1 15 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.920 -1.120 18156 7272 1 15 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.520 -0.420 18156 7273 1 15 . 1 1 32 32 VAL H H 32 6.910 6.910 7.595 -0.685 18156 7274 1 15 . 1 1 33 33 VAL N N 33 122.000 122.000 120.379 1.621 18156 7275 1 15 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.597 -0.597 18156 7276 1 15 . 1 1 33 33 VAL C C 33 174.500 174.500 175.753 -1.253 18156 7277 1 15 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.522 1.778 18156 7278 1 15 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.035 0.065 18156 7279 1 15 . 1 1 33 33 VAL H H 33 8.180 8.180 7.516 0.664 18156 7280 1 15 . 1 1 34 34 ASP N N 34 128.200 128.200 126.742 1.458 18156 7281 1 15 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.611 0.149 18156 7282 1 15 . 1 1 34 34 ASP C C 34 175.400 175.400 175.506 -0.106 18156 7283 1 15 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.242 -0.942 18156 7284 1 15 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.102 0.497 18156 7285 1 15 . 1 1 34 34 ASP H H 34 9.150 9.150 8.881 0.269 18156 7286 1 15 . 1 1 35 35 ARG N N 35 112.200 112.200 114.140 -1.940 18156 7287 1 15 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.721 -0.101 18156 7288 1 15 . 1 1 35 35 ARG C C 35 172.900 172.900 173.763 -0.863 18156 7289 1 15 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.822 0.478 18156 7290 1 15 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.378 -0.278 18156 7291 1 15 . 1 1 35 35 ARG H H 35 7.440 7.440 7.340 0.100 18156 7292 1 15 . 1 1 36 36 LEU N N 36 120.400 120.400 122.539 -2.139 18156 7293 1 15 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.135 -0.115 18156 7294 1 15 . 1 1 36 36 LEU C C 36 174.800 174.800 175.879 -1.079 18156 7295 1 15 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.554 -0.554 18156 7296 1 15 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.585 0.315 18156 7297 1 15 . 1 1 36 36 LEU H H 36 8.410 8.410 8.784 -0.374 18156 7298 1 15 . 1 1 37 37 GLU N N 37 120.800 120.800 125.050 -4.250 18156 7299 1 15 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.581 0.349 18156 7300 1 15 . 1 1 37 37 GLU C C 37 174.400 174.400 175.919 -1.519 18156 7301 1 15 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.254 -1.954 18156 7302 1 15 . 1 1 37 37 GLU CB C 37 31.700 31.700 29.848 1.852 18156 7303 1 15 . 1 1 37 37 GLU H H 37 8.470 8.470 8.580 -0.110 18156 7304 1 15 . 1 1 38 38 VAL N N 38 125.600 125.600 127.598 -1.998 18156 7305 1 15 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.958 0.052 18156 7306 1 15 . 1 1 38 38 VAL C C 38 175.500 175.500 175.096 0.404 18156 7307 1 15 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.527 -0.127 18156 7308 1 15 . 1 1 38 38 VAL CB C 38 30.800 30.800 31.297 -0.496 18156 7309 1 15 . 1 1 38 38 VAL H H 38 9.130 9.130 8.139 0.991 18156 7310 1 15 . 1 1 39 39 VAL N N 39 131.700 131.700 127.750 3.950 18156 7311 1 15 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.987 0.193 18156 7312 1 15 . 1 1 39 39 VAL C C 39 175.600 175.600 176.196 -0.596 18156 7313 1 15 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.380 0.320 18156 7314 1 15 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.660 0.140 18156 7315 1 15 . 1 1 39 39 VAL H H 39 9.040 9.040 7.455 1.585 18156 7316 1 15 . 1 1 40 40 ASN N N 40 125.000 125.000 124.243 0.757 18156 7317 1 15 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.173 0.287 18156 7318 1 15 . 1 1 40 40 ASN C C 40 173.300 173.300 174.868 -1.568 18156 7319 1 15 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.836 -0.736 18156 7320 1 15 . 1 1 40 40 ASN CB C 40 37.000 37.000 38.345 -1.345 18156 7321 1 15 . 1 1 40 40 ASN H H 40 9.060 9.060 9.036 0.024 18156 7322 1 15 . 1 1 41 41 LYS N N 41 109.900 109.900 113.353 -3.453 18156 7323 1 15 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.875 -0.635 18156 7324 1 15 . 1 1 41 41 LYS C C 41 175.000 175.000 175.528 -0.528 18156 7325 1 15 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.173 0.127 18156 7326 1 15 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.009 -0.409 18156 7327 1 15 . 1 1 41 41 LYS H H 41 9.250 9.250 7.989 1.261 18156 7328 1 15 . 1 1 42 42 ARG N N 42 115.800 115.800 117.480 -1.680 18156 7329 1 15 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.389 0.321 18156 7330 1 15 . 1 1 42 42 ARG C C 42 174.900 174.900 175.248 -0.348 18156 7331 1 15 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.111 -0.911 18156 7332 1 15 . 1 1 42 42 ARG CB C 42 34.200 34.200 33.108 1.092 18156 7333 1 15 . 1 1 42 42 ARG H H 42 8.110 8.110 7.541 0.569 18156 7334 1 15 . 1 1 43 43 PHE N N 43 115.100 115.100 113.270 1.830 18156 7335 1 15 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.154 0.006 18156 7336 1 15 . 1 1 43 43 PHE C C 43 171.200 171.200 172.670 -1.470 18156 7337 1 15 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.944 -0.244 18156 7338 1 15 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.636 -0.536 18156 7339 1 15 . 1 1 43 43 PHE H H 43 7.610 7.610 7.535 0.075 18156 7340 1 15 . 1 1 44 44 VAL N N 44 121.200 121.200 119.033 2.167 18156 7341 1 15 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.826 0.764 18156 7342 1 15 . 1 1 44 44 VAL C C 44 174.600 174.600 174.087 0.513 18156 7343 1 15 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.504 -0.704 18156 7344 1 15 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.172 -0.272 18156 7345 1 15 . 1 1 44 44 VAL H H 44 9.030 9.030 8.529 0.501 18156 7346 1 15 . 1 1 45 45 ARG N N 45 125.000 125.000 128.087 -3.087 18156 7347 1 15 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.666 0.294 18156 7348 1 15 . 1 1 45 45 ARG C C 45 175.400 175.400 175.064 0.336 18156 7349 1 15 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.599 0.401 18156 7350 1 15 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.299 0.901 18156 7351 1 15 . 1 1 45 45 ARG H H 45 9.320 9.320 8.327 0.993 18156 7352 1 15 . 1 1 46 46 VAL N N 46 127.200 127.200 129.555 -2.355 18156 7353 1 15 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.065 0.045 18156 7354 1 15 . 1 1 46 46 VAL C C 46 174.700 174.700 175.057 -0.357 18156 7355 1 15 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.432 -0.232 18156 7356 1 15 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.375 1.725 18156 7357 1 15 . 1 1 46 46 VAL H H 46 8.770 8.770 8.717 0.053 18156 7358 1 15 . 1 1 47 47 THR N N 47 120.800 120.800 124.202 -3.402 18156 7359 1 15 . 1 1 47 47 THR HA H 47 4.700 4.700 4.666 0.034 18156 7360 1 15 . 1 1 47 47 THR C C 47 174.500 174.500 173.955 0.545 18156 7361 1 15 . 1 1 47 47 THR CA C 47 61.300 61.300 62.015 -0.715 18156 7362 1 15 . 1 1 47 47 THR CB C 47 69.800 69.800 70.055 -0.255 18156 7363 1 15 . 1 1 47 47 THR H H 47 8.110 8.110 8.309 -0.199 18156 7364 1 15 . 1 1 48 48 PHE N N 48 125.700 125.700 124.782 0.918 18156 7365 1 15 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.357 -0.007 18156 7366 1 15 . 1 1 48 48 PHE C C 48 176.000 176.000 177.260 -1.260 18156 7367 1 15 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.333 -0.033 18156 7368 1 15 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.501 0.899 18156 7369 1 15 . 1 1 48 48 PHE H H 48 9.000 9.000 9.152 -0.152 18156 7370 1 15 . 1 1 49 49 THR N N 49 118.900 118.900 116.241 2.659 18156 7371 1 15 . 1 1 49 49 THR HA H 49 4.330 4.330 4.555 -0.225 18156 7372 1 15 . 1 1 49 49 THR CA C 49 61.200 61.200 60.336 0.864 18156 7373 1 15 . 1 1 49 49 THR CB C 49 69.400 69.400 68.772 0.628 18156 7374 1 15 . 1 1 49 49 THR H H 49 8.620 8.620 8.790 -0.170 18156 7375 1 15 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.012 0.348 18156 7376 1 15 . 1 1 50 50 PRO C C 50 177.700 177.700 176.826 0.874 18156 7377 1 15 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.912 0.588 18156 7378 1 15 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.211 1.589 18156 7379 1 15 . 1 1 51 51 GLY N N 51 111.300 111.300 113.320 -2.020 18156 7380 1 15 . 1 1 51 51 GLY C C 51 175.200 175.200 174.953 0.247 18156 7381 1 15 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.676 -0.276 18156 7382 1 15 . 1 1 51 51 GLY H H 51 8.880 8.880 8.462 0.418 18156 7383 1 15 . 1 1 52 52 LYS N N 52 118.900 118.900 121.182 -2.282 18156 7384 1 15 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.387 0.183 18156 7385 1 15 . 1 1 52 52 LYS C C 52 175.800 175.800 177.262 -1.462 18156 7386 1 15 . 1 1 52 52 LYS CA C 52 54.800 54.800 56.274 -1.474 18156 7387 1 15 . 1 1 52 52 LYS CB C 52 32.600 32.600 32.718 -0.118 18156 7388 1 15 . 1 1 52 52 LYS H H 52 8.110 8.110 8.055 0.055 18156 7389 1 15 . 1 1 53 53 THR N N 53 114.700 114.700 116.296 -1.596 18156 7390 1 15 . 1 1 53 53 THR HA H 53 4.180 4.180 4.328 -0.148 18156 7391 1 15 . 1 1 53 53 THR CA C 53 60.400 60.400 60.580 -0.180 18156 7392 1 15 . 1 1 53 53 THR CB C 53 69.100 69.100 68.294 0.806 18156 7393 1 15 . 1 1 53 53 THR H H 53 7.700 7.700 7.765 -0.065 18156 7394 1 15 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.408 0.002 18156 7395 1 15 . 1 1 54 54 PRO C C 54 177.500 177.500 178.097 -0.597 18156 7396 1 15 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.065 1.135 18156 7397 1 15 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.073 0.227 18156 7398 1 15 . 1 1 55 55 VAL N N 55 119.300 119.300 117.058 2.242 18156 7399 1 15 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.762 0.238 18156 7400 1 15 . 1 1 55 55 VAL C C 55 176.000 176.000 176.504 -0.504 18156 7401 1 15 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.309 -1.009 18156 7402 1 15 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.808 0.593 18156 7403 1 15 . 1 1 55 55 VAL H H 55 8.190 8.190 8.234 -0.044 18156 7404 1 15 . 1 1 56 56 ASP N N 56 120.300 120.300 120.097 0.203 18156 7405 1 15 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.451 0.119 18156 7406 1 15 . 1 1 56 56 ASP C C 56 177.000 177.000 177.125 -0.125 18156 7407 1 15 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.811 -1.511 18156 7408 1 15 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.538 0.162 18156 7409 1 15 . 1 1 56 56 ASP H H 56 8.170 8.170 8.136 0.034 18156 7410 1 15 . 1 1 57 57 GLY N N 57 108.300 108.300 106.462 1.838 18156 7411 1 15 . 1 1 57 57 GLY C C 57 173.700 173.700 173.259 0.441 18156 7412 1 15 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.070 0.730 18156 7413 1 15 . 1 1 57 57 GLY H H 57 8.110 8.110 7.825 0.285 18156 7414 1 15 . 1 1 58 58 GLN N N 58 118.900 118.900 117.529 1.371 18156 7415 1 15 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.396 0.104 18156 7416 1 15 . 1 1 58 58 GLN C C 58 175.700 175.700 174.357 1.343 18156 7417 1 15 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.678 0.522 18156 7418 1 15 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.855 0.345 18156 7419 1 15 . 1 1 58 58 GLN H H 58 8.070 8.070 7.488 0.582 18156 7420 1 15 . 1 1 59 59 TYR N N 59 118.800 118.800 117.585 1.215 18156 7421 1 15 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.252 -0.122 18156 7422 1 15 . 1 1 59 59 TYR C C 59 177.500 177.500 175.111 2.389 18156 7423 1 15 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.150 -0.450 18156 7424 1 15 . 1 1 59 59 TYR CB C 59 39.300 39.300 41.980 -2.680 18156 7425 1 15 . 1 1 59 59 TYR H H 59 8.110 8.110 8.529 -0.419 18156 7426 1 15 . 1 1 60 60 VAL N N 60 115.600 115.600 115.748 -0.148 18156 7427 1 15 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.444 0.056 18156 7428 1 15 . 1 1 60 60 VAL C C 60 174.700 174.700 175.149 -0.449 18156 7429 1 15 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.569 0.431 18156 7430 1 15 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.124 -0.124 18156 7431 1 15 . 1 1 60 60 VAL H H 60 8.250 8.250 8.456 -0.206 18156 7432 1 15 . 1 1 61 61 TRP N N 61 120.800 120.800 118.606 2.194 18156 7433 1 15 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.458 0.462 18156 7434 1 15 . 1 1 61 61 TRP C C 61 172.700 172.700 173.437 -0.737 18156 7435 1 15 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.706 -0.706 18156 7436 1 15 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.644 0.256 18156 7437 1 15 . 1 1 61 61 TRP H H 61 8.500 8.500 8.626 -0.126 18156 7438 1 15 . 1 1 62 62 PHE N N 62 112.100 112.100 114.576 -2.476 18156 7439 1 15 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.879 0.161 18156 7440 1 15 . 1 1 62 62 PHE C C 62 174.800 174.800 173.687 1.113 18156 7441 1 15 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.589 -1.189 18156 7442 1 15 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.623 0.277 18156 7443 1 15 . 1 1 62 62 PHE H H 62 8.700 8.700 8.595 0.105 18156 7444 1 15 . 1 1 63 63 ASN N N 63 120.800 120.800 120.745 0.055 18156 7445 1 15 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.194 -0.034 18156 7446 1 15 . 1 1 63 63 ASN C C 63 175.800 175.800 175.129 0.671 18156 7447 1 15 . 1 1 63 63 ASN CA C 63 54.100 54.100 52.977 1.123 18156 7448 1 15 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.599 1.001 18156 7449 1 15 . 1 1 63 63 ASN H H 63 9.340 9.340 8.796 0.544 18156 7450 1 15 . 1 1 64 64 ILE N N 64 113.400 113.400 119.106 -5.706 18156 7451 1 15 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.692 -0.042 18156 7452 1 15 . 1 1 64 64 ILE C C 64 175.300 175.300 175.488 -0.188 18156 7453 1 15 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.946 0.154 18156 7454 1 15 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.589 2.511 18156 7455 1 15 . 1 1 64 64 ILE H H 64 7.820 7.820 8.124 -0.304 18156 7456 1 15 . 1 1 65 65 GLY N N 65 110.700 110.700 112.088 -1.388 18156 7457 1 15 . 1 1 65 65 GLY C C 65 174.300 174.300 175.003 -0.703 18156 7458 1 15 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.044 -0.244 18156 7459 1 15 . 1 1 65 65 GLY H H 65 8.570 8.570 8.776 -0.206 18156 7460 1 15 . 1 1 66 66 SER N N 66 113.800 113.800 115.631 -1.831 18156 7461 1 15 . 1 1 66 66 SER HA H 66 4.730 4.730 4.744 -0.014 18156 7462 1 15 . 1 1 66 66 SER C C 66 175.500 175.500 174.970 0.530 18156 7463 1 15 . 1 1 66 66 SER CA C 66 56.800 56.800 56.665 0.135 18156 7464 1 15 . 1 1 66 66 SER CB C 66 64.500 64.500 64.567 -0.067 18156 7465 1 15 . 1 1 66 66 SER H H 66 7.680 7.680 7.664 0.016 18156 7466 1 15 . 1 1 67 67 VAL N N 67 127.000 127.000 128.152 -1.152 18156 7467 1 15 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.901 -0.081 18156 7468 1 15 . 1 1 67 67 VAL C C 67 176.700 176.700 177.195 -0.495 18156 7469 1 15 . 1 1 67 67 VAL CA C 67 66.600 66.600 64.756 1.844 18156 7470 1 15 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.669 0.031 18156 7471 1 15 . 1 1 67 67 VAL H H 67 9.150 9.150 8.881 0.269 18156 7472 1 15 . 1 1 68 68 ASP N N 68 118.800 118.800 119.423 -0.623 18156 7473 1 15 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.316 0.134 18156 7474 1 15 . 1 1 68 68 ASP C C 68 178.700 178.700 177.790 0.910 18156 7475 1 15 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.559 -0.260 18156 7476 1 15 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.817 -0.117 18156 7477 1 15 . 1 1 68 68 ASP H H 68 8.320 8.320 8.127 0.193 18156 7478 1 15 . 1 1 69 69 THR N N 69 114.500 114.500 116.504 -2.004 18156 7479 1 15 . 1 1 69 69 THR HA H 69 3.910 3.910 3.982 -0.072 18156 7480 1 15 . 1 1 69 69 THR C C 69 175.500 175.500 176.117 -0.617 18156 7481 1 15 . 1 1 69 69 THR CA C 69 65.600 65.600 66.907 -1.307 18156 7482 1 15 . 1 1 69 69 THR CB C 69 68.900 68.900 68.605 0.296 18156 7483 1 15 . 1 1 69 69 THR H H 69 7.710 7.710 7.426 0.284 18156 7484 1 15 . 1 1 70 70 PHE N N 70 122.800 122.800 121.736 1.064 18156 7485 1 15 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.790 0.530 18156 7486 1 15 . 1 1 70 70 PHE C C 70 176.000 176.000 176.827 -0.827 18156 7487 1 15 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.136 -0.636 18156 7488 1 15 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.039 0.061 18156 7489 1 15 . 1 1 70 70 PHE H H 70 7.680 7.680 7.946 -0.266 18156 7490 1 15 . 1 1 71 71 GLU N N 71 118.400 118.400 118.612 -0.212 18156 7491 1 15 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.668 -0.298 18156 7492 1 15 . 1 1 71 71 GLU C C 71 179.900 179.900 179.104 0.796 18156 7493 1 15 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.652 0.548 18156 7494 1 15 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.294 -0.094 18156 7495 1 15 . 1 1 71 71 GLU H H 71 8.660 8.660 8.085 0.575 18156 7496 1 15 . 1 1 72 72 ARG N N 72 119.500 119.500 117.937 1.563 18156 7497 1 15 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.291 -0.131 18156 7498 1 15 . 1 1 72 72 ARG C C 72 179.200 179.200 178.328 0.872 18156 7499 1 15 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.833 0.267 18156 7500 1 15 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.839 0.261 18156 7501 1 15 . 1 1 72 72 ARG H H 72 7.960 7.960 8.243 -0.283 18156 7502 1 15 . 1 1 73 73 ASN N N 73 119.900 119.900 119.086 0.814 18156 7503 1 15 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.550 -0.040 18156 7504 1 15 . 1 1 73 73 ASN C C 73 178.100 178.100 177.931 0.169 18156 7505 1 15 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.686 -0.186 18156 7506 1 15 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.966 -0.566 18156 7507 1 15 . 1 1 73 73 ASN H H 73 8.610 8.610 7.912 0.698 18156 7508 1 15 . 1 1 74 74 LEU N N 74 121.900 121.900 121.893 0.007 18156 7509 1 15 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.266 -0.016 18156 7510 1 15 . 1 1 74 74 LEU C C 74 179.100 179.100 178.138 0.962 18156 7511 1 15 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.463 -0.163 18156 7512 1 15 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.713 0.087 18156 7513 1 15 . 1 1 74 74 LEU H H 74 8.720 8.720 8.227 0.493 18156 7514 1 15 . 1 1 75 75 GLU N N 75 120.700 120.700 117.252 3.448 18156 7515 1 15 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.941 0.169 18156 7516 1 15 . 1 1 75 75 GLU C C 75 178.900 178.900 179.065 -0.165 18156 7517 1 15 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.352 0.548 18156 7518 1 15 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.947 0.353 18156 7519 1 15 . 1 1 75 75 GLU H H 75 8.070 8.070 8.371 -0.301 18156 7520 1 15 . 1 1 76 76 THR N N 76 115.700 115.700 117.120 -1.420 18156 7521 1 15 . 1 1 76 76 THR HA H 76 4.000 4.000 4.127 -0.127 18156 7522 1 15 . 1 1 76 76 THR C C 76 176.600 176.600 176.562 0.038 18156 7523 1 15 . 1 1 76 76 THR CA C 76 66.500 66.500 66.210 0.290 18156 7524 1 15 . 1 1 76 76 THR CB C 76 69.000 69.000 68.853 0.147 18156 7525 1 15 . 1 1 76 76 THR H H 76 8.400 8.400 7.651 0.749 18156 7526 1 15 . 1 1 77 77 LEU N N 77 122.200 122.200 122.500 -0.300 18156 7527 1 15 . 1 1 77 77 LEU HA H 77 4.260 4.260 3.974 0.286 18156 7528 1 15 . 1 1 77 77 LEU C C 77 179.200 179.200 178.666 0.534 18156 7529 1 15 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.172 -0.872 18156 7530 1 15 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.780 0.120 18156 7531 1 15 . 1 1 77 77 LEU H H 77 8.330 8.330 8.264 0.066 18156 7532 1 15 . 1 1 78 78 GLN N N 78 115.700 115.700 117.422 -1.722 18156 7533 1 15 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.944 -0.064 18156 7534 1 15 . 1 1 78 78 GLN C C 78 177.600 177.600 178.712 -1.112 18156 7535 1 15 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.135 2.165 18156 7536 1 15 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.424 0.976 18156 7537 1 15 . 1 1 78 78 GLN H H 78 8.200 8.200 8.238 -0.038 18156 7538 1 15 . 1 1 79 79 GLN N N 79 118.400 118.400 117.952 0.448 18156 7539 1 15 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.074 0.066 18156 7540 1 15 . 1 1 79 79 GLN C C 79 180.000 180.000 178.625 1.375 18156 7541 1 15 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.294 0.907 18156 7542 1 15 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.240 -0.040 18156 7543 1 15 . 1 1 79 79 GLN H H 79 7.980 7.980 7.741 0.239 18156 7544 1 15 . 1 1 80 80 GLU N N 80 121.700 121.700 119.411 2.289 18156 7545 1 15 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.118 -0.068 18156 7546 1 15 . 1 1 80 80 GLU C C 80 178.800 178.800 178.612 0.188 18156 7547 1 15 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.517 0.784 18156 7548 1 15 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.257 0.343 18156 7549 1 15 . 1 1 80 80 GLU H H 80 8.400 8.400 7.935 0.465 18156 7550 1 15 . 1 1 81 81 LEU N N 81 117.200 117.200 117.806 -0.606 18156 7551 1 15 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.310 -0.010 18156 7552 1 15 . 1 1 81 81 LEU C C 81 177.400 177.400 177.503 -0.103 18156 7553 1 15 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.280 -0.180 18156 7554 1 15 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.238 0.562 18156 7555 1 15 . 1 1 81 81 LEU H H 81 8.120 8.120 7.660 0.460 18156 7556 1 15 . 1 1 82 82 GLY N N 82 108.900 108.900 106.551 2.349 18156 7557 1 15 . 1 1 82 82 GLY C C 82 174.600 174.600 174.469 0.131 18156 7558 1 15 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.226 1.074 18156 7559 1 15 . 1 1 82 82 GLY H H 82 7.840 7.840 7.340 0.500 18156 7560 1 15 . 1 1 83 83 ILE N N 83 121.900 121.900 123.493 -1.593 18156 7561 1 15 . 1 1 83 83 ILE HA H 83 4.000 4.000 4.232 -0.232 18156 7562 1 15 . 1 1 83 83 ILE C C 83 175.300 175.300 174.390 0.910 18156 7563 1 15 . 1 1 83 83 ILE CA C 83 61.500 61.500 61.549 -0.049 18156 7564 1 15 . 1 1 83 83 ILE CB C 83 37.800 37.800 38.709 -0.909 18156 7565 1 15 . 1 1 83 83 ILE H H 83 8.250 8.250 8.009 0.241 18156 7566 1 15 . 1 1 84 84 GLU N N 84 126.600 126.600 123.548 3.052 18156 7567 1 15 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.341 0.159 18156 7568 1 15 . 1 1 84 84 GLU C C 84 177.400 177.400 176.319 1.081 18156 7569 1 15 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.495 -0.195 18156 7570 1 15 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.624 -0.024 18156 7571 1 15 . 1 1 84 84 GLU H H 84 8.760 8.760 8.277 0.483 18156 7572 1 15 . 1 1 85 85 GLY N N 85 109.400 109.400 111.007 -1.607 18156 7573 1 15 . 1 1 85 85 GLY C C 85 176.600 176.600 176.125 0.475 18156 7574 1 15 . 1 1 85 85 GLY CA C 85 47.400 47.400 47.278 0.122 18156 7575 1 15 . 1 1 85 85 GLY H H 85 8.870 8.870 8.715 0.155 18156 7576 1 15 . 1 1 86 86 GLU N N 86 123.900 123.900 124.681 -0.781 18156 7577 1 15 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.194 0.056 18156 7578 1 15 . 1 1 86 86 GLU C C 86 176.200 176.200 177.490 -1.290 18156 7579 1 15 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.533 -0.733 18156 7580 1 15 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.688 -0.588 18156 7581 1 15 . 1 1 86 86 GLU H H 86 9.240 9.240 8.248 0.992 18156 7582 1 15 . 1 1 87 87 ASN N N 87 115.900 115.900 115.899 0.001 18156 7583 1 15 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.776 0.054 18156 7584 1 15 . 1 1 87 87 ASN C C 87 174.600 174.600 174.813 -0.213 18156 7585 1 15 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.472 -0.272 18156 7586 1 15 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.538 -0.138 18156 7587 1 15 . 1 1 87 87 ASN H H 87 8.050 8.050 7.788 0.262 18156 7588 1 15 . 1 1 88 88 ARG N N 88 119.300 119.300 121.457 -2.157 18156 7589 1 15 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.352 -0.302 18156 7590 1 15 . 1 1 88 88 ARG C C 88 176.600 176.600 176.735 -0.135 18156 7591 1 15 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.390 0.210 18156 7592 1 15 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.566 0.034 18156 7593 1 15 . 1 1 88 88 ARG H H 88 7.230 7.230 7.396 -0.166 18156 7594 1 15 . 1 1 89 89 VAL N N 89 124.700 124.700 128.703 -4.003 18156 7595 1 15 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.016 0.274 18156 7596 1 15 . 1 1 89 89 VAL CA C 89 60.000 60.000 61.517 -1.516 18156 7597 1 15 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.406 1.694 18156 7598 1 15 . 1 1 89 89 VAL H H 89 8.780 8.780 8.534 0.246 18156 7599 1 15 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.364 0.146 18156 7600 1 15 . 1 1 90 90 PRO C C 90 175.100 175.100 175.835 -0.735 18156 7601 1 15 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.361 -0.261 18156 7602 1 15 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.025 0.575 18156 7603 1 15 . 1 1 91 91 VAL N N 91 121.600 121.600 124.399 -2.799 18156 7604 1 15 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.530 0.280 18156 7605 1 15 . 1 1 91 91 VAL C C 91 176.100 176.100 175.828 0.272 18156 7606 1 15 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.552 -0.252 18156 7607 1 15 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.835 1.365 18156 7608 1 15 . 1 1 91 91 VAL H H 91 8.030 8.030 8.159 -0.129 18156 7609 1 15 . 1 1 92 92 VAL N N 92 124.800 124.800 128.965 -4.165 18156 7610 1 15 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.227 0.313 18156 7611 1 15 . 1 1 92 92 VAL C C 92 173.600 173.600 174.892 -1.292 18156 7612 1 15 . 1 1 92 92 VAL CA C 92 59.700 59.700 60.892 -1.192 18156 7613 1 15 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.529 2.371 18156 7614 1 15 . 1 1 92 92 VAL H H 92 8.640 8.640 8.380 0.260 18156 7615 1 15 . 1 1 93 93 TYR N N 93 124.700 124.700 127.557 -2.857 18156 7616 1 15 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.575 0.355 18156 7617 1 15 . 1 1 93 93 TYR C C 93 175.700 175.700 176.270 -0.570 18156 7618 1 15 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.963 -1.563 18156 7619 1 15 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.834 0.666 18156 7620 1 15 . 1 1 93 93 TYR H H 93 8.800 8.800 8.439 0.361 18156 7621 1 15 . 1 1 94 94 ILE N N 94 123.100 123.100 125.482 -2.382 18156 7622 1 15 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.340 0.170 18156 7623 1 15 . 1 1 94 94 ILE C C 94 173.700 173.700 175.179 -1.479 18156 7624 1 15 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.062 -0.862 18156 7625 1 15 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.912 0.588 18156 7626 1 15 . 1 1 94 94 ILE H H 94 9.000 9.000 7.891 1.109 18156 7627 1 15 . 1 1 95 95 ALA N N 95 128.000 128.000 129.234 -1.234 18156 7628 1 15 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.453 0.537 18156 7629 1 15 . 1 1 95 95 ALA C C 95 177.000 177.000 176.347 0.653 18156 7630 1 15 . 1 1 95 95 ALA CA C 95 50.500 50.500 52.150 -1.650 18156 7631 1 15 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.459 0.941 18156 7632 1 15 . 1 1 95 95 ALA H H 95 8.450 8.450 8.320 0.130 18156 7633 1 15 . 1 1 96 96 GLU N N 96 122.200 122.200 121.838 0.362 18156 7634 1 15 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.375 0.145 18156 7635 1 15 . 1 1 96 96 GLU C C 96 176.000 176.000 175.115 0.885 18156 7636 1 15 . 1 1 96 96 GLU CA C 96 55.500 55.500 55.748 -0.248 18156 7637 1 15 . 1 1 96 96 GLU CB C 96 32.800 32.800 32.545 0.255 18156 7638 1 15 . 1 1 96 96 GLU H H 96 8.850 8.850 7.926 0.924 18156 7639 1 15 . 1 1 97 97 SER N N 97 118.600 118.600 115.377 3.223 18156 7640 1 15 . 1 1 97 97 SER HA H 97 4.430 4.430 4.092 0.338 18156 7641 1 15 . 1 1 97 97 SER C C 97 174.200 174.200 173.407 0.793 18156 7642 1 15 . 1 1 97 97 SER CA C 97 58.500 58.500 59.306 -0.806 18156 7643 1 15 . 1 1 97 97 SER CB C 97 63.800 63.800 62.302 1.498 18156 7644 1 15 . 1 1 97 97 SER H H 97 8.650 8.650 8.752 -0.102 18156 7645 1 15 . 1 1 98 98 ASP N N 98 123.200 123.200 120.604 2.596 18156 7646 1 15 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.601 0.069 18156 7647 1 15 . 1 1 98 98 ASP C C 98 175.500 175.500 175.787 -0.287 18156 7648 1 15 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.454 -0.054 18156 7649 1 15 . 1 1 98 98 ASP CB C 98 41.400 41.400 40.761 0.639 18156 7650 1 15 . 1 1 98 98 ASP H H 98 8.500 8.500 8.244 0.256 18156 7651 1 16 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.806 -1.306 18156 7652 1 16 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.587 0.003 18156 7653 1 16 . 1 1 10 10 HIS C C 10 175.500 175.500 173.915 1.585 18156 7654 1 16 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.716 0.784 18156 7655 1 16 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.755 -0.555 18156 7656 1 16 . 1 1 11 11 MET N N 11 120.900 120.900 122.022 -1.122 18156 7657 1 16 . 1 1 11 11 MET HA H 11 4.290 4.290 4.380 -0.090 18156 7658 1 16 . 1 1 11 11 MET C C 11 176.300 176.300 176.085 0.215 18156 7659 1 16 . 1 1 11 11 MET CA C 11 55.900 55.900 55.709 0.191 18156 7660 1 16 . 1 1 11 11 MET CB C 11 32.700 32.700 33.672 -0.972 18156 7661 1 16 . 1 1 11 11 MET H H 11 8.210 8.210 7.746 0.464 18156 7662 1 16 . 1 1 12 12 LYS N N 12 122.100 122.100 123.428 -1.328 18156 7663 1 16 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.160 -0.030 18156 7664 1 16 . 1 1 12 12 LYS C C 12 176.700 176.700 175.781 0.919 18156 7665 1 16 . 1 1 12 12 LYS CA C 12 56.800 56.800 57.360 -0.560 18156 7666 1 16 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.181 1.619 18156 7667 1 16 . 1 1 12 12 LYS H H 12 8.300 8.300 8.667 -0.367 18156 7668 1 16 . 1 1 13 13 ARG N N 13 121.500 121.500 124.207 -2.707 18156 7669 1 16 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.529 -0.259 18156 7670 1 16 . 1 1 13 13 ARG C C 13 176.200 176.200 175.235 0.965 18156 7671 1 16 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.602 0.598 18156 7672 1 16 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.974 -0.174 18156 7673 1 16 . 1 1 13 13 ARG H H 13 8.160 8.160 8.373 -0.213 18156 7674 1 16 . 1 1 14 14 SER N N 14 116.700 116.700 118.772 -2.072 18156 7675 1 16 . 1 1 14 14 SER HA H 14 4.530 4.530 4.423 0.107 18156 7676 1 16 . 1 1 14 14 SER C C 14 173.600 173.600 174.420 -0.820 18156 7677 1 16 . 1 1 14 14 SER CA C 14 58.300 58.300 58.175 0.125 18156 7678 1 16 . 1 1 14 14 SER CB C 14 64.100 64.100 62.893 1.207 18156 7679 1 16 . 1 1 14 14 SER H H 14 8.160 8.160 8.360 -0.200 18156 7680 1 16 . 1 1 15 15 GLY N N 15 109.300 109.300 113.531 -4.231 18156 7681 1 16 . 1 1 15 15 GLY C C 15 173.000 173.000 174.007 -1.007 18156 7682 1 16 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.687 0.013 18156 7683 1 16 . 1 1 15 15 GLY H H 15 8.100 8.100 7.822 0.278 18156 7684 1 16 . 1 1 16 16 ARG N N 16 122.300 122.300 121.745 0.555 18156 7685 1 16 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.383 0.147 18156 7686 1 16 . 1 1 16 16 ARG C C 16 173.200 173.200 175.339 -2.139 18156 7687 1 16 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.523 0.777 18156 7688 1 16 . 1 1 16 16 ARG CB C 16 32.900 32.900 30.294 2.606 18156 7689 1 16 . 1 1 16 16 ARG H H 16 8.460 8.460 8.515 -0.055 18156 7690 1 16 . 1 1 17 17 GLU N N 17 126.800 126.800 127.391 -0.591 18156 7691 1 16 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.618 -0.398 18156 7692 1 16 . 1 1 17 17 GLU C C 17 177.000 177.000 176.248 0.752 18156 7693 1 16 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.857 -0.857 18156 7694 1 16 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.201 0.899 18156 7695 1 16 . 1 1 17 17 GLU H H 17 8.190 8.190 8.537 -0.347 18156 7696 1 16 . 1 1 18 18 ILE N N 18 122.600 122.600 122.769 -0.169 18156 7697 1 16 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.663 0.297 18156 7698 1 16 . 1 1 18 18 ILE C C 18 174.600 174.600 175.176 -0.576 18156 7699 1 16 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.987 0.213 18156 7700 1 16 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.208 0.692 18156 7701 1 16 . 1 1 18 18 ILE H H 18 8.870 8.870 8.531 0.339 18156 7702 1 16 . 1 1 19 19 THR N N 19 108.700 108.700 110.314 -1.614 18156 7703 1 16 . 1 1 19 19 THR HA H 19 4.760 4.760 4.731 0.029 18156 7704 1 16 . 1 1 19 19 THR C C 19 175.400 175.400 175.487 -0.087 18156 7705 1 16 . 1 1 19 19 THR CA C 19 59.800 59.800 59.812 -0.012 18156 7706 1 16 . 1 1 19 19 THR CB C 19 72.100 72.100 71.906 0.194 18156 7707 1 16 . 1 1 19 19 THR H H 19 8.140 8.140 8.427 -0.287 18156 7708 1 16 . 1 1 20 20 TRP N N 20 121.900 121.900 123.476 -1.576 18156 7709 1 16 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.514 0.386 18156 7710 1 16 . 1 1 20 20 TRP C C 20 176.600 176.600 177.013 -0.413 18156 7711 1 16 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.691 -0.691 18156 7712 1 16 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.496 -0.196 18156 7713 1 16 . 1 1 20 20 TRP H H 20 9.060 9.060 8.857 0.203 18156 7714 1 16 . 1 1 21 21 LYS N N 21 116.900 116.900 118.649 -1.749 18156 7715 1 16 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.745 -0.085 18156 7716 1 16 . 1 1 21 21 LYS C C 21 178.200 178.200 178.137 0.063 18156 7717 1 16 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.723 -0.023 18156 7718 1 16 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.975 0.225 18156 7719 1 16 . 1 1 21 21 LYS H H 21 8.320 8.320 8.221 0.099 18156 7720 1 16 . 1 1 22 22 ASP N N 22 119.000 119.000 119.364 -0.364 18156 7721 1 16 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.551 -0.281 18156 7722 1 16 . 1 1 22 22 ASP C C 22 178.500 178.500 178.788 -0.288 18156 7723 1 16 . 1 1 22 22 ASP CA C 22 57.000 57.000 56.994 0.006 18156 7724 1 16 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.432 0.868 18156 7725 1 16 . 1 1 22 22 ASP H H 22 7.670 7.670 7.613 0.057 18156 7726 1 16 . 1 1 23 23 PHE N N 23 120.000 120.000 121.832 -1.832 18156 7727 1 16 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.457 -0.207 18156 7728 1 16 . 1 1 23 23 PHE C C 23 177.500 177.500 176.896 0.604 18156 7729 1 16 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.958 -0.158 18156 7730 1 16 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.879 -1.279 18156 7731 1 16 . 1 1 23 23 PHE H H 23 8.430 8.430 7.773 0.657 18156 7732 1 16 . 1 1 24 24 VAL N N 24 120.700 120.700 118.574 2.126 18156 7733 1 16 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.885 -0.155 18156 7734 1 16 . 1 1 24 24 VAL C C 24 178.200 178.200 177.643 0.557 18156 7735 1 16 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.470 0.430 18156 7736 1 16 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.627 1.474 18156 7737 1 16 . 1 1 24 24 VAL H H 24 8.250 8.250 7.758 0.492 18156 7738 1 16 . 1 1 25 25 ASN N N 25 116.700 116.700 116.787 -0.087 18156 7739 1 16 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.280 -0.080 18156 7740 1 16 . 1 1 25 25 ASN C C 25 176.200 176.200 176.676 -0.476 18156 7741 1 16 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.542 0.458 18156 7742 1 16 . 1 1 25 25 ASN CB C 25 38.700 38.700 37.765 0.935 18156 7743 1 16 . 1 1 25 25 ASN H H 25 8.260 8.260 7.792 0.468 18156 7744 1 16 . 1 1 26 26 ASN N N 26 112.300 112.300 116.564 -4.264 18156 7745 1 16 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.386 0.214 18156 7746 1 16 . 1 1 26 26 ASN C C 26 174.500 174.500 175.225 -0.725 18156 7747 1 16 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.495 -0.895 18156 7748 1 16 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.191 -0.391 18156 7749 1 16 . 1 1 26 26 ASN H H 26 8.490 8.490 7.715 0.775 18156 7750 1 16 . 1 1 27 27 TYR N N 27 113.700 113.700 117.210 -3.510 18156 7751 1 16 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.640 0.190 18156 7752 1 16 . 1 1 27 27 TYR C C 27 176.500 176.500 176.594 -0.094 18156 7753 1 16 . 1 1 27 27 TYR CA C 27 58.200 58.200 60.048 -1.848 18156 7754 1 16 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.947 0.353 18156 7755 1 16 . 1 1 27 27 TYR H H 27 7.000 7.000 7.455 -0.455 18156 7756 1 16 . 1 1 28 28 LEU N N 28 122.700 122.700 121.405 1.295 18156 7757 1 16 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.830 -0.000 18156 7758 1 16 . 1 1 28 28 LEU C C 28 179.700 179.700 179.078 0.622 18156 7759 1 16 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.531 0.769 18156 7760 1 16 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.302 0.098 18156 7761 1 16 . 1 1 28 28 LEU H H 28 8.180 8.180 8.074 0.106 18156 7762 1 16 . 1 1 29 29 SER N N 29 109.300 109.300 114.959 -5.659 18156 7763 1 16 . 1 1 29 29 SER HA H 29 4.120 4.120 4.179 -0.059 18156 7764 1 16 . 1 1 29 29 SER C C 29 174.000 174.000 175.605 -1.605 18156 7765 1 16 . 1 1 29 29 SER CA C 29 60.300 60.300 60.764 -0.464 18156 7766 1 16 . 1 1 29 29 SER CB C 29 63.100 63.100 62.793 0.307 18156 7767 1 16 . 1 1 29 29 SER H H 29 7.940 7.940 8.140 -0.200 18156 7768 1 16 . 1 1 30 30 LYS N N 30 117.200 117.200 119.004 -1.804 18156 7769 1 16 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.318 0.142 18156 7770 1 16 . 1 1 30 30 LYS C C 30 177.200 177.200 176.738 0.462 18156 7771 1 16 . 1 1 30 30 LYS CA C 30 54.800 54.800 56.027 -1.227 18156 7772 1 16 . 1 1 30 30 LYS CB C 30 33.000 33.000 33.060 -0.060 18156 7773 1 16 . 1 1 30 30 LYS H H 30 6.680 6.680 7.261 -0.581 18156 7774 1 16 . 1 1 31 31 GLY N N 31 107.100 107.100 108.434 -1.334 18156 7775 1 16 . 1 1 31 31 GLY C C 31 175.700 175.700 175.558 0.142 18156 7776 1 16 . 1 1 31 31 GLY CA C 31 47.400 47.400 45.833 1.567 18156 7777 1 16 . 1 1 31 31 GLY H H 31 7.660 7.660 7.776 -0.116 18156 7778 1 16 . 1 1 32 32 VAL N N 32 107.300 107.300 111.812 -4.512 18156 7779 1 16 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.304 0.326 18156 7780 1 16 . 1 1 32 32 VAL C C 32 174.800 174.800 175.489 -0.689 18156 7781 1 16 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.837 -2.037 18156 7782 1 16 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.205 -0.105 18156 7783 1 16 . 1 1 32 32 VAL H H 32 6.910 6.910 7.542 -0.632 18156 7784 1 16 . 1 1 33 33 VAL N N 33 122.000 122.000 118.527 3.473 18156 7785 1 16 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.030 -0.030 18156 7786 1 16 . 1 1 33 33 VAL C C 33 174.500 174.500 175.315 -0.815 18156 7787 1 16 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.445 1.855 18156 7788 1 16 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.428 -0.328 18156 7789 1 16 . 1 1 33 33 VAL H H 33 8.180 8.180 7.379 0.801 18156 7790 1 16 . 1 1 34 34 ASP N N 34 128.200 128.200 126.135 2.065 18156 7791 1 16 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.587 0.173 18156 7792 1 16 . 1 1 34 34 ASP C C 34 175.400 175.400 175.667 -0.267 18156 7793 1 16 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.757 -1.457 18156 7794 1 16 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.767 0.833 18156 7795 1 16 . 1 1 34 34 ASP H H 34 9.150 9.150 8.867 0.283 18156 7796 1 16 . 1 1 35 35 ARG N N 35 112.200 112.200 114.061 -1.861 18156 7797 1 16 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.681 -0.061 18156 7798 1 16 . 1 1 35 35 ARG C C 35 172.900 172.900 173.780 -0.880 18156 7799 1 16 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.779 0.521 18156 7800 1 16 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.438 -0.338 18156 7801 1 16 . 1 1 35 35 ARG H H 35 7.440 7.440 7.661 -0.221 18156 7802 1 16 . 1 1 36 36 LEU N N 36 120.400 120.400 123.046 -2.646 18156 7803 1 16 . 1 1 36 36 LEU HA H 36 5.020 5.020 4.970 0.050 18156 7804 1 16 . 1 1 36 36 LEU C C 36 174.800 174.800 175.457 -0.657 18156 7805 1 16 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.662 -0.662 18156 7806 1 16 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.388 0.512 18156 7807 1 16 . 1 1 36 36 LEU H H 36 8.410 8.410 8.838 -0.428 18156 7808 1 16 . 1 1 37 37 GLU N N 37 120.800 120.800 125.042 -4.242 18156 7809 1 16 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.644 0.286 18156 7810 1 16 . 1 1 37 37 GLU C C 37 174.400 174.400 175.896 -1.496 18156 7811 1 16 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.092 -1.792 18156 7812 1 16 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.101 1.599 18156 7813 1 16 . 1 1 37 37 GLU H H 37 8.470 8.470 8.650 -0.180 18156 7814 1 16 . 1 1 38 38 VAL N N 38 125.600 125.600 127.588 -1.988 18156 7815 1 16 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.783 0.227 18156 7816 1 16 . 1 1 38 38 VAL C C 38 175.500 175.500 174.830 0.670 18156 7817 1 16 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.407 -0.007 18156 7818 1 16 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.084 0.716 18156 7819 1 16 . 1 1 38 38 VAL H H 38 9.130 9.130 8.654 0.476 18156 7820 1 16 . 1 1 39 39 VAL N N 39 131.700 131.700 128.778 2.922 18156 7821 1 16 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.609 0.571 18156 7822 1 16 . 1 1 39 39 VAL C C 39 175.600 175.600 176.005 -0.405 18156 7823 1 16 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.200 -0.500 18156 7824 1 16 . 1 1 39 39 VAL CB C 39 30.800 30.800 29.835 0.964 18156 7825 1 16 . 1 1 39 39 VAL H H 39 9.040 9.040 7.522 1.518 18156 7826 1 16 . 1 1 40 40 ASN N N 40 125.000 125.000 125.491 -0.491 18156 7827 1 16 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.204 0.256 18156 7828 1 16 . 1 1 40 40 ASN C C 40 173.300 173.300 174.577 -1.277 18156 7829 1 16 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.730 -0.630 18156 7830 1 16 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.881 -0.881 18156 7831 1 16 . 1 1 40 40 ASN H H 40 9.060 9.060 8.864 0.196 18156 7832 1 16 . 1 1 41 41 LYS N N 41 109.900 109.900 112.207 -2.307 18156 7833 1 16 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.848 -0.608 18156 7834 1 16 . 1 1 41 41 LYS C C 41 175.000 175.000 176.230 -1.230 18156 7835 1 16 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.277 0.023 18156 7836 1 16 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.954 -0.354 18156 7837 1 16 . 1 1 41 41 LYS H H 41 9.250 9.250 7.675 1.575 18156 7838 1 16 . 1 1 42 42 ARG N N 42 115.800 115.800 114.832 0.968 18156 7839 1 16 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.415 0.295 18156 7840 1 16 . 1 1 42 42 ARG C C 42 174.900 174.900 176.701 -1.801 18156 7841 1 16 . 1 1 42 42 ARG CA C 42 57.200 57.200 56.977 0.223 18156 7842 1 16 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.425 2.775 18156 7843 1 16 . 1 1 42 42 ARG H H 42 8.110 8.110 7.570 0.540 18156 7844 1 16 . 1 1 43 43 PHE N N 43 115.100 115.100 113.430 1.670 18156 7845 1 16 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.999 0.161 18156 7846 1 16 . 1 1 43 43 PHE C C 43 171.200 171.200 172.610 -1.410 18156 7847 1 16 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.382 -0.682 18156 7848 1 16 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.455 -0.355 18156 7849 1 16 . 1 1 43 43 PHE H H 43 7.610 7.610 7.470 0.140 18156 7850 1 16 . 1 1 44 44 VAL N N 44 121.200 121.200 118.222 2.978 18156 7851 1 16 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.845 0.745 18156 7852 1 16 . 1 1 44 44 VAL C C 44 174.600 174.600 174.199 0.401 18156 7853 1 16 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.596 -0.796 18156 7854 1 16 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.202 -0.302 18156 7855 1 16 . 1 1 44 44 VAL H H 44 9.030 9.030 8.487 0.543 18156 7856 1 16 . 1 1 45 45 ARG N N 45 125.000 125.000 127.584 -2.584 18156 7857 1 16 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.698 0.262 18156 7858 1 16 . 1 1 45 45 ARG C C 45 175.400 175.400 174.716 0.684 18156 7859 1 16 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.462 0.538 18156 7860 1 16 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.591 0.609 18156 7861 1 16 . 1 1 45 45 ARG H H 45 9.320 9.320 8.472 0.848 18156 7862 1 16 . 1 1 46 46 VAL N N 46 127.200 127.200 129.389 -2.189 18156 7863 1 16 . 1 1 46 46 VAL HA H 46 4.110 4.110 3.994 0.116 18156 7864 1 16 . 1 1 46 46 VAL C C 46 174.700 174.700 174.756 -0.056 18156 7865 1 16 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.303 -0.103 18156 7866 1 16 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.585 1.515 18156 7867 1 16 . 1 1 46 46 VAL H H 46 8.770 8.770 8.783 -0.013 18156 7868 1 16 . 1 1 47 47 THR N N 47 120.800 120.800 124.149 -3.349 18156 7869 1 16 . 1 1 47 47 THR HA H 47 4.700 4.700 4.285 0.415 18156 7870 1 16 . 1 1 47 47 THR C C 47 174.500 174.500 173.420 1.080 18156 7871 1 16 . 1 1 47 47 THR CA C 47 61.300 61.300 61.934 -0.634 18156 7872 1 16 . 1 1 47 47 THR CB C 47 69.800 69.800 69.480 0.321 18156 7873 1 16 . 1 1 47 47 THR H H 47 8.110 8.110 8.194 -0.084 18156 7874 1 16 . 1 1 48 48 PHE N N 48 125.700 125.700 125.345 0.355 18156 7875 1 16 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.998 0.352 18156 7876 1 16 . 1 1 48 48 PHE C C 48 176.000 176.000 176.909 -0.909 18156 7877 1 16 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.994 0.306 18156 7878 1 16 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.221 0.179 18156 7879 1 16 . 1 1 48 48 PHE H H 48 9.000 9.000 9.133 -0.133 18156 7880 1 16 . 1 1 49 49 THR N N 49 118.900 118.900 113.045 5.855 18156 7881 1 16 . 1 1 49 49 THR HA H 49 4.330 4.330 4.871 -0.541 18156 7882 1 16 . 1 1 49 49 THR CA C 49 61.200 61.200 59.152 2.048 18156 7883 1 16 . 1 1 49 49 THR CB C 49 69.400 69.400 69.159 0.241 18156 7884 1 16 . 1 1 49 49 THR H H 49 8.620 8.620 8.561 0.059 18156 7885 1 16 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.313 0.047 18156 7886 1 16 . 1 1 50 50 PRO C C 50 177.700 177.700 178.654 -0.954 18156 7887 1 16 . 1 1 50 50 PRO CA C 50 64.500 64.500 65.433 -0.933 18156 7888 1 16 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.622 0.177 18156 7889 1 16 . 1 1 51 51 GLY N N 51 111.300 111.300 105.211 6.089 18156 7890 1 16 . 1 1 51 51 GLY C C 51 175.200 175.200 175.320 -0.120 18156 7891 1 16 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.509 -0.109 18156 7892 1 16 . 1 1 51 51 GLY H H 51 8.880 8.880 8.570 0.310 18156 7893 1 16 . 1 1 52 52 LYS N N 52 118.900 118.900 119.397 -0.497 18156 7894 1 16 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.701 -0.131 18156 7895 1 16 . 1 1 52 52 LYS C C 52 175.800 175.800 176.144 -0.344 18156 7896 1 16 . 1 1 52 52 LYS CA C 52 54.800 54.800 54.549 0.251 18156 7897 1 16 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.400 -0.800 18156 7898 1 16 . 1 1 52 52 LYS H H 52 8.110 8.110 7.715 0.395 18156 7899 1 16 . 1 1 53 53 THR N N 53 114.700 114.700 116.950 -2.250 18156 7900 1 16 . 1 1 53 53 THR HA H 53 4.180 4.180 4.135 0.045 18156 7901 1 16 . 1 1 53 53 THR CA C 53 60.400 60.400 60.285 0.115 18156 7902 1 16 . 1 1 53 53 THR CB C 53 69.100 69.100 68.159 0.941 18156 7903 1 16 . 1 1 53 53 THR H H 53 7.700 7.700 7.599 0.101 18156 7904 1 16 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.373 0.037 18156 7905 1 16 . 1 1 54 54 PRO C C 54 177.500 177.500 178.073 -0.573 18156 7906 1 16 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.327 0.873 18156 7907 1 16 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.269 0.031 18156 7908 1 16 . 1 1 55 55 VAL N N 55 119.300 119.300 120.980 -1.680 18156 7909 1 16 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.646 0.354 18156 7910 1 16 . 1 1 55 55 VAL C C 55 176.000 176.000 176.480 -0.480 18156 7911 1 16 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.603 -1.303 18156 7912 1 16 . 1 1 55 55 VAL CB C 55 32.400 32.400 32.069 0.331 18156 7913 1 16 . 1 1 55 55 VAL H H 55 8.190 8.190 8.435 -0.245 18156 7914 1 16 . 1 1 56 56 ASP N N 56 120.300 120.300 119.743 0.557 18156 7915 1 16 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.498 0.072 18156 7916 1 16 . 1 1 56 56 ASP C C 56 177.000 177.000 176.518 0.482 18156 7917 1 16 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.906 -0.606 18156 7918 1 16 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.700 0.000 18156 7919 1 16 . 1 1 56 56 ASP H H 56 8.170 8.170 8.080 0.090 18156 7920 1 16 . 1 1 57 57 GLY N N 57 108.300 108.300 106.659 1.641 18156 7921 1 16 . 1 1 57 57 GLY C C 57 173.700 173.700 174.030 -0.330 18156 7922 1 16 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.446 0.354 18156 7923 1 16 . 1 1 57 57 GLY H H 57 8.110 8.110 7.917 0.193 18156 7924 1 16 . 1 1 58 58 GLN N N 58 118.900 118.900 117.377 1.523 18156 7925 1 16 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.520 -0.020 18156 7926 1 16 . 1 1 58 58 GLN C C 58 175.700 175.700 173.983 1.717 18156 7927 1 16 . 1 1 58 58 GLN CA C 58 56.200 56.200 53.726 2.474 18156 7928 1 16 . 1 1 58 58 GLN CB C 58 30.200 30.200 31.408 -1.208 18156 7929 1 16 . 1 1 58 58 GLN H H 58 8.070 8.070 7.773 0.297 18156 7930 1 16 . 1 1 59 59 TYR N N 59 118.800 118.800 116.161 2.639 18156 7931 1 16 . 1 1 59 59 TYR HA H 59 5.130 5.130 5.005 0.125 18156 7932 1 16 . 1 1 59 59 TYR C C 59 177.500 177.500 175.919 1.581 18156 7933 1 16 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.210 -0.510 18156 7934 1 16 . 1 1 59 59 TYR CB C 59 39.300 39.300 40.427 -1.127 18156 7935 1 16 . 1 1 59 59 TYR H H 59 8.110 8.110 8.286 -0.176 18156 7936 1 16 . 1 1 60 60 VAL N N 60 115.600 115.600 113.924 1.676 18156 7937 1 16 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.394 0.106 18156 7938 1 16 . 1 1 60 60 VAL C C 60 174.700 174.700 174.604 0.096 18156 7939 1 16 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.958 0.042 18156 7940 1 16 . 1 1 60 60 VAL CB C 60 35.000 35.000 36.202 -1.202 18156 7941 1 16 . 1 1 60 60 VAL H H 60 8.250 8.250 8.398 -0.148 18156 7942 1 16 . 1 1 61 61 TRP N N 61 120.800 120.800 117.855 2.945 18156 7943 1 16 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.354 0.566 18156 7944 1 16 . 1 1 61 61 TRP C C 61 172.700 172.700 173.427 -0.727 18156 7945 1 16 . 1 1 61 61 TRP CA C 61 55.000 55.000 56.151 -1.151 18156 7946 1 16 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.261 0.639 18156 7947 1 16 . 1 1 61 61 TRP H H 61 8.500 8.500 8.715 -0.215 18156 7948 1 16 . 1 1 62 62 PHE N N 62 112.100 112.100 115.198 -3.098 18156 7949 1 16 . 1 1 62 62 PHE HA H 62 5.040 5.040 5.041 -0.001 18156 7950 1 16 . 1 1 62 62 PHE C C 62 174.800 174.800 173.769 1.031 18156 7951 1 16 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.423 -1.023 18156 7952 1 16 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.742 0.158 18156 7953 1 16 . 1 1 62 62 PHE H H 62 8.700 8.700 8.587 0.113 18156 7954 1 16 . 1 1 63 63 ASN N N 63 120.800 120.800 120.336 0.464 18156 7955 1 16 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.039 0.121 18156 7956 1 16 . 1 1 63 63 ASN C C 63 175.800 175.800 174.966 0.834 18156 7957 1 16 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.145 0.955 18156 7958 1 16 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.671 0.929 18156 7959 1 16 . 1 1 63 63 ASN H H 63 9.340 9.340 8.820 0.520 18156 7960 1 16 . 1 1 64 64 ILE N N 64 113.400 113.400 118.132 -4.732 18156 7961 1 16 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.699 -0.049 18156 7962 1 16 . 1 1 64 64 ILE C C 64 175.300 175.300 175.178 0.122 18156 7963 1 16 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.950 0.149 18156 7964 1 16 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.194 2.906 18156 7965 1 16 . 1 1 64 64 ILE H H 64 7.820 7.820 7.972 -0.152 18156 7966 1 16 . 1 1 65 65 GLY N N 65 110.700 110.700 113.236 -2.536 18156 7967 1 16 . 1 1 65 65 GLY C C 65 174.300 174.300 175.075 -0.775 18156 7968 1 16 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.891 -0.091 18156 7969 1 16 . 1 1 65 65 GLY H H 65 8.570 8.570 8.770 -0.200 18156 7970 1 16 . 1 1 66 66 SER N N 66 113.800 113.800 116.019 -2.219 18156 7971 1 16 . 1 1 66 66 SER HA H 66 4.730 4.730 4.644 0.086 18156 7972 1 16 . 1 1 66 66 SER C C 66 175.500 175.500 175.266 0.234 18156 7973 1 16 . 1 1 66 66 SER CA C 66 56.800 56.800 55.906 0.894 18156 7974 1 16 . 1 1 66 66 SER CB C 66 64.500 64.500 64.153 0.347 18156 7975 1 16 . 1 1 66 66 SER H H 66 7.680 7.680 7.796 -0.116 18156 7976 1 16 . 1 1 67 67 VAL N N 67 127.000 127.000 128.559 -1.559 18156 7977 1 16 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.810 0.010 18156 7978 1 16 . 1 1 67 67 VAL C C 67 176.700 176.700 177.352 -0.652 18156 7979 1 16 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.355 1.245 18156 7980 1 16 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.720 -0.020 18156 7981 1 16 . 1 1 67 67 VAL H H 67 9.150 9.150 9.086 0.064 18156 7982 1 16 . 1 1 68 68 ASP N N 68 118.800 118.800 119.197 -0.397 18156 7983 1 16 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.357 0.093 18156 7984 1 16 . 1 1 68 68 ASP C C 68 178.700 178.700 178.418 0.282 18156 7985 1 16 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.601 -0.301 18156 7986 1 16 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.390 0.310 18156 7987 1 16 . 1 1 68 68 ASP H H 68 8.320 8.320 8.053 0.267 18156 7988 1 16 . 1 1 69 69 THR N N 69 114.500 114.500 116.523 -2.023 18156 7989 1 16 . 1 1 69 69 THR HA H 69 3.910 3.910 4.026 -0.116 18156 7990 1 16 . 1 1 69 69 THR C C 69 175.500 175.500 176.105 -0.605 18156 7991 1 16 . 1 1 69 69 THR CA C 69 65.600 65.600 66.258 -0.658 18156 7992 1 16 . 1 1 69 69 THR CB C 69 68.900 68.900 68.666 0.234 18156 7993 1 16 . 1 1 69 69 THR H H 69 7.710 7.710 7.569 0.141 18156 7994 1 16 . 1 1 70 70 PHE N N 70 122.800 122.800 122.193 0.607 18156 7995 1 16 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.669 0.651 18156 7996 1 16 . 1 1 70 70 PHE C C 70 176.000 176.000 176.668 -0.668 18156 7997 1 16 . 1 1 70 70 PHE CA C 70 60.500 60.500 60.981 -0.481 18156 7998 1 16 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.868 0.232 18156 7999 1 16 . 1 1 70 70 PHE H H 70 7.680 7.680 7.921 -0.241 18156 8000 1 16 . 1 1 71 71 GLU N N 71 118.400 118.400 118.250 0.150 18156 8001 1 16 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.465 -0.095 18156 8002 1 16 . 1 1 71 71 GLU C C 71 179.900 179.900 178.998 0.902 18156 8003 1 16 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.313 0.887 18156 8004 1 16 . 1 1 71 71 GLU CB C 71 29.200 29.200 28.918 0.282 18156 8005 1 16 . 1 1 71 71 GLU H H 71 8.660 8.660 8.159 0.501 18156 8006 1 16 . 1 1 72 72 ARG N N 72 119.500 119.500 119.222 0.278 18156 8007 1 16 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.921 0.239 18156 8008 1 16 . 1 1 72 72 ARG C C 72 179.200 179.200 178.735 0.465 18156 8009 1 16 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.823 -0.723 18156 8010 1 16 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.200 -0.100 18156 8011 1 16 . 1 1 72 72 ARG H H 72 7.960 7.960 7.862 0.098 18156 8012 1 16 . 1 1 73 73 ASN N N 73 119.900 119.900 117.823 2.077 18156 8013 1 16 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.533 -0.023 18156 8014 1 16 . 1 1 73 73 ASN C C 73 178.100 178.100 177.641 0.459 18156 8015 1 16 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.677 -0.177 18156 8016 1 16 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.052 -0.652 18156 8017 1 16 . 1 1 73 73 ASN H H 73 8.610 8.610 7.727 0.883 18156 8018 1 16 . 1 1 74 74 LEU N N 74 121.900 121.900 122.015 -0.115 18156 8019 1 16 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.321 -0.070 18156 8020 1 16 . 1 1 74 74 LEU C C 74 179.100 179.100 178.010 1.090 18156 8021 1 16 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.751 -0.451 18156 8022 1 16 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.789 0.011 18156 8023 1 16 . 1 1 74 74 LEU H H 74 8.720 8.720 8.127 0.593 18156 8024 1 16 . 1 1 75 75 GLU N N 75 120.700 120.700 117.415 3.285 18156 8025 1 16 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.018 0.092 18156 8026 1 16 . 1 1 75 75 GLU C C 75 178.900 178.900 179.201 -0.301 18156 8027 1 16 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.219 0.681 18156 8028 1 16 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.602 0.698 18156 8029 1 16 . 1 1 75 75 GLU H H 75 8.070 8.070 8.063 0.007 18156 8030 1 16 . 1 1 76 76 THR N N 76 115.700 115.700 117.424 -1.724 18156 8031 1 16 . 1 1 76 76 THR HA H 76 4.000 4.000 4.018 -0.018 18156 8032 1 16 . 1 1 76 76 THR C C 76 176.600 176.600 176.699 -0.099 18156 8033 1 16 . 1 1 76 76 THR CA C 76 66.500 66.500 66.215 0.285 18156 8034 1 16 . 1 1 76 76 THR CB C 76 69.000 69.000 68.797 0.203 18156 8035 1 16 . 1 1 76 76 THR H H 76 8.400 8.400 7.686 0.714 18156 8036 1 16 . 1 1 77 77 LEU N N 77 122.200 122.200 123.089 -0.889 18156 8037 1 16 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.313 -0.053 18156 8038 1 16 . 1 1 77 77 LEU C C 77 179.200 179.200 178.925 0.275 18156 8039 1 16 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.014 -0.714 18156 8040 1 16 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.632 0.268 18156 8041 1 16 . 1 1 77 77 LEU H H 77 8.330 8.330 8.245 0.085 18156 8042 1 16 . 1 1 78 78 GLN N N 78 115.700 115.700 117.272 -1.572 18156 8043 1 16 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.875 0.005 18156 8044 1 16 . 1 1 78 78 GLN C C 78 177.600 177.600 178.587 -0.987 18156 8045 1 16 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.248 2.052 18156 8046 1 16 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.479 0.921 18156 8047 1 16 . 1 1 78 78 GLN H H 78 8.200 8.200 8.344 -0.144 18156 8048 1 16 . 1 1 79 79 GLN N N 79 118.400 118.400 118.022 0.378 18156 8049 1 16 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.013 0.127 18156 8050 1 16 . 1 1 79 79 GLN C C 79 180.000 180.000 178.706 1.294 18156 8051 1 16 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.813 0.387 18156 8052 1 16 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.711 -0.511 18156 8053 1 16 . 1 1 79 79 GLN H H 79 7.980 7.980 7.629 0.351 18156 8054 1 16 . 1 1 80 80 GLU N N 80 121.700 121.700 119.980 1.720 18156 8055 1 16 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.105 -0.055 18156 8056 1 16 . 1 1 80 80 GLU C C 80 178.800 178.800 178.654 0.146 18156 8057 1 16 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.625 0.675 18156 8058 1 16 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.707 -0.107 18156 8059 1 16 . 1 1 80 80 GLU H H 80 8.400 8.400 7.834 0.566 18156 8060 1 16 . 1 1 81 81 LEU N N 81 117.200 117.200 117.092 0.108 18156 8061 1 16 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.250 0.050 18156 8062 1 16 . 1 1 81 81 LEU C C 81 177.400 177.400 177.708 -0.308 18156 8063 1 16 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.237 -0.138 18156 8064 1 16 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.226 0.574 18156 8065 1 16 . 1 1 81 81 LEU H H 81 8.120 8.120 8.085 0.035 18156 8066 1 16 . 1 1 82 82 GLY N N 82 108.900 108.900 106.436 2.464 18156 8067 1 16 . 1 1 82 82 GLY C C 82 174.600 174.600 174.606 -0.006 18156 8068 1 16 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.055 1.245 18156 8069 1 16 . 1 1 82 82 GLY H H 82 7.840 7.840 7.483 0.357 18156 8070 1 16 . 1 1 83 83 ILE N N 83 121.900 121.900 124.465 -2.565 18156 8071 1 16 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.975 0.025 18156 8072 1 16 . 1 1 83 83 ILE C C 83 175.300 175.300 174.870 0.430 18156 8073 1 16 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.422 -0.922 18156 8074 1 16 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.078 0.722 18156 8075 1 16 . 1 1 83 83 ILE H H 83 8.250 8.250 7.843 0.407 18156 8076 1 16 . 1 1 84 84 GLU N N 84 126.600 126.600 126.469 0.131 18156 8077 1 16 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.541 -0.041 18156 8078 1 16 . 1 1 84 84 GLU C C 84 177.400 177.400 176.730 0.670 18156 8079 1 16 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.845 0.455 18156 8080 1 16 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.514 0.086 18156 8081 1 16 . 1 1 84 84 GLU H H 84 8.760 8.760 8.226 0.534 18156 8082 1 16 . 1 1 85 85 GLY N N 85 109.400 109.400 111.255 -1.855 18156 8083 1 16 . 1 1 85 85 GLY C C 85 176.600 176.600 175.972 0.628 18156 8084 1 16 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.308 1.092 18156 8085 1 16 . 1 1 85 85 GLY H H 85 8.870 8.870 8.704 0.166 18156 8086 1 16 . 1 1 86 86 GLU N N 86 123.900 123.900 124.412 -0.512 18156 8087 1 16 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.046 0.204 18156 8088 1 16 . 1 1 86 86 GLU C C 86 176.200 176.200 177.121 -0.921 18156 8089 1 16 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.508 -0.708 18156 8090 1 16 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.466 -0.366 18156 8091 1 16 . 1 1 86 86 GLU H H 86 9.240 9.240 8.738 0.502 18156 8092 1 16 . 1 1 87 87 ASN N N 87 115.900 115.900 115.601 0.299 18156 8093 1 16 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.617 0.213 18156 8094 1 16 . 1 1 87 87 ASN C C 87 174.600 174.600 175.424 -0.824 18156 8095 1 16 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.703 -0.503 18156 8096 1 16 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.091 0.309 18156 8097 1 16 . 1 1 87 87 ASN H H 87 8.050 8.050 7.678 0.372 18156 8098 1 16 . 1 1 88 88 ARG N N 88 119.300 119.300 118.438 0.862 18156 8099 1 16 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.103 -0.053 18156 8100 1 16 . 1 1 88 88 ARG C C 88 176.600 176.600 175.829 0.771 18156 8101 1 16 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.839 -0.239 18156 8102 1 16 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.754 -0.154 18156 8103 1 16 . 1 1 88 88 ARG H H 88 7.230 7.230 7.394 -0.164 18156 8104 1 16 . 1 1 89 89 VAL N N 89 124.700 124.700 123.562 1.138 18156 8105 1 16 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.470 -0.180 18156 8106 1 16 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.349 0.651 18156 8107 1 16 . 1 1 89 89 VAL CB C 89 33.100 33.100 32.363 0.737 18156 8108 1 16 . 1 1 89 89 VAL H H 89 8.780 8.780 8.435 0.345 18156 8109 1 16 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.574 -0.064 18156 8110 1 16 . 1 1 90 90 PRO C C 90 175.100 175.100 175.305 -0.205 18156 8111 1 16 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.563 0.537 18156 8112 1 16 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.818 -0.218 18156 8113 1 16 . 1 1 91 91 VAL N N 91 121.600 121.600 121.758 -0.158 18156 8114 1 16 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.647 0.163 18156 8115 1 16 . 1 1 91 91 VAL C C 91 176.100 176.100 175.926 0.174 18156 8116 1 16 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.726 -0.426 18156 8117 1 16 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.947 1.253 18156 8118 1 16 . 1 1 91 91 VAL H H 91 8.030 8.030 8.354 -0.324 18156 8119 1 16 . 1 1 92 92 VAL N N 92 124.800 124.800 128.652 -3.852 18156 8120 1 16 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.369 0.171 18156 8121 1 16 . 1 1 92 92 VAL C C 92 173.600 173.600 174.439 -0.839 18156 8122 1 16 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.154 -1.454 18156 8123 1 16 . 1 1 92 92 VAL CB C 92 34.900 34.900 33.576 1.324 18156 8124 1 16 . 1 1 92 92 VAL H H 92 8.640 8.640 8.725 -0.085 18156 8125 1 16 . 1 1 93 93 TYR N N 93 124.700 124.700 127.716 -3.016 18156 8126 1 16 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.763 0.167 18156 8127 1 16 . 1 1 93 93 TYR C C 93 175.700 175.700 176.152 -0.452 18156 8128 1 16 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.119 -0.719 18156 8129 1 16 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.762 -0.262 18156 8130 1 16 . 1 1 93 93 TYR H H 93 8.800 8.800 8.727 0.073 18156 8131 1 16 . 1 1 94 94 ILE N N 94 123.100 123.100 124.743 -1.643 18156 8132 1 16 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.333 0.177 18156 8133 1 16 . 1 1 94 94 ILE C C 94 173.700 173.700 175.898 -2.198 18156 8134 1 16 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.494 -0.294 18156 8135 1 16 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.177 1.323 18156 8136 1 16 . 1 1 94 94 ILE H H 94 9.000 9.000 8.026 0.974 18156 8137 1 16 . 1 1 95 95 ALA N N 95 128.000 128.000 128.073 -0.073 18156 8138 1 16 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.227 0.763 18156 8139 1 16 . 1 1 95 95 ALA C C 95 177.000 177.000 177.430 -0.430 18156 8140 1 16 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.886 -1.386 18156 8141 1 16 . 1 1 95 95 ALA CB C 95 20.400 20.400 18.443 1.957 18156 8142 1 16 . 1 1 95 95 ALA H H 95 8.450 8.450 8.784 -0.334 18156 8143 1 16 . 1 1 96 96 GLU N N 96 122.200 122.200 118.530 3.670 18156 8144 1 16 . 1 1 96 96 GLU HA H 96 4.520 4.520 3.730 0.790 18156 8145 1 16 . 1 1 96 96 GLU C C 96 176.000 176.000 176.412 -0.412 18156 8146 1 16 . 1 1 96 96 GLU CA C 96 55.500 55.500 58.662 -3.162 18156 8147 1 16 . 1 1 96 96 GLU CB C 96 32.800 32.800 28.559 4.241 18156 8148 1 16 . 1 1 96 96 GLU H H 96 8.850 8.850 8.341 0.509 18156 8149 1 16 . 1 1 97 97 SER N N 97 118.600 118.600 112.873 5.727 18156 8150 1 16 . 1 1 97 97 SER HA H 97 4.430 4.430 4.431 -0.001 18156 8151 1 16 . 1 1 97 97 SER C C 97 174.200 174.200 173.903 0.297 18156 8152 1 16 . 1 1 97 97 SER CA C 97 58.500 58.500 58.503 -0.003 18156 8153 1 16 . 1 1 97 97 SER CB C 97 63.800 63.800 63.371 0.429 18156 8154 1 16 . 1 1 97 97 SER H H 97 8.650 8.650 8.082 0.568 18156 8155 1 16 . 1 1 98 98 ASP N N 98 123.200 123.200 122.294 0.906 18156 8156 1 16 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.823 -0.153 18156 8157 1 16 . 1 1 98 98 ASP C C 98 175.500 175.500 176.194 -0.694 18156 8158 1 16 . 1 1 98 98 ASP CA C 98 54.400 54.400 53.912 0.488 18156 8159 1 16 . 1 1 98 98 ASP CB C 98 41.400 41.400 42.218 -0.818 18156 8160 1 16 . 1 1 98 98 ASP H H 98 8.500 8.500 8.023 0.477 18156 8161 1 17 . 1 1 2 2 GLY CA C 2 43.500 43.500 44.628 -1.128 18156 8162 1 17 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.339 0.251 18156 8163 1 17 . 1 1 10 10 HIS C C 10 175.500 175.500 173.600 1.900 18156 8164 1 17 . 1 1 10 10 HIS CA C 10 56.500 56.500 54.993 1.507 18156 8165 1 17 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.735 -0.534 18156 8166 1 17 . 1 1 11 11 MET N N 11 120.900 120.900 118.550 2.350 18156 8167 1 17 . 1 1 11 11 MET HA H 11 4.290 4.290 4.035 0.255 18156 8168 1 17 . 1 1 11 11 MET C C 11 176.300 176.300 174.698 1.602 18156 8169 1 17 . 1 1 11 11 MET CA C 11 55.900 55.900 56.229 -0.329 18156 8170 1 17 . 1 1 11 11 MET CB C 11 32.700 32.700 33.032 -0.332 18156 8171 1 17 . 1 1 11 11 MET H H 11 8.210 8.210 8.290 -0.080 18156 8172 1 17 . 1 1 12 12 LYS N N 12 122.100 122.100 125.242 -3.142 18156 8173 1 17 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.405 -0.275 18156 8174 1 17 . 1 1 12 12 LYS C C 12 176.700 176.700 176.470 0.230 18156 8175 1 17 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.654 0.146 18156 8176 1 17 . 1 1 12 12 LYS CB C 12 32.800 32.800 33.260 -0.460 18156 8177 1 17 . 1 1 12 12 LYS H H 12 8.300 8.300 8.529 -0.229 18156 8178 1 17 . 1 1 13 13 ARG N N 13 121.500 121.500 119.594 1.906 18156 8179 1 17 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.598 -0.328 18156 8180 1 17 . 1 1 13 13 ARG C C 13 176.200 176.200 174.771 1.429 18156 8181 1 17 . 1 1 13 13 ARG CA C 13 56.200 56.200 55.005 1.195 18156 8182 1 17 . 1 1 13 13 ARG CB C 13 30.800 30.800 32.919 -2.119 18156 8183 1 17 . 1 1 13 13 ARG H H 13 8.160 8.160 7.958 0.202 18156 8184 1 17 . 1 1 14 14 SER N N 14 116.700 116.700 117.275 -0.575 18156 8185 1 17 . 1 1 14 14 SER HA H 14 4.530 4.530 4.452 0.078 18156 8186 1 17 . 1 1 14 14 SER C C 14 173.600 173.600 174.543 -0.943 18156 8187 1 17 . 1 1 14 14 SER CA C 14 58.300 58.300 58.743 -0.443 18156 8188 1 17 . 1 1 14 14 SER CB C 14 64.100 64.100 62.669 1.431 18156 8189 1 17 . 1 1 14 14 SER H H 14 8.160 8.160 8.683 -0.523 18156 8190 1 17 . 1 1 15 15 GLY N N 15 109.300 109.300 112.034 -2.734 18156 8191 1 17 . 1 1 15 15 GLY C C 15 173.000 173.000 173.329 -0.329 18156 8192 1 17 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.733 -1.033 18156 8193 1 17 . 1 1 15 15 GLY H H 15 8.100 8.100 8.281 -0.181 18156 8194 1 17 . 1 1 16 16 ARG N N 16 122.300 122.300 122.747 -0.447 18156 8195 1 17 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.535 -0.005 18156 8196 1 17 . 1 1 16 16 ARG C C 16 173.200 173.200 175.904 -2.704 18156 8197 1 17 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.736 0.564 18156 8198 1 17 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.591 1.309 18156 8199 1 17 . 1 1 16 16 ARG H H 16 8.460 8.460 8.562 -0.102 18156 8200 1 17 . 1 1 17 17 GLU N N 17 126.800 126.800 126.127 0.673 18156 8201 1 17 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.259 -1.039 18156 8202 1 17 . 1 1 17 17 GLU C C 17 177.000 177.000 176.651 0.349 18156 8203 1 17 . 1 1 17 17 GLU CA C 17 55.000 55.000 56.630 -1.630 18156 8204 1 17 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.125 0.975 18156 8205 1 17 . 1 1 17 17 GLU H H 17 8.190 8.190 8.503 -0.313 18156 8206 1 17 . 1 1 18 18 ILE N N 18 122.600 122.600 122.217 0.383 18156 8207 1 17 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.653 0.307 18156 8208 1 17 . 1 1 18 18 ILE C C 18 174.600 174.600 175.544 -0.944 18156 8209 1 17 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.112 0.088 18156 8210 1 17 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.474 1.425 18156 8211 1 17 . 1 1 18 18 ILE H H 18 8.870 8.870 8.489 0.381 18156 8212 1 17 . 1 1 19 19 THR N N 19 108.700 108.700 111.154 -2.454 18156 8213 1 17 . 1 1 19 19 THR HA H 19 4.760 4.760 4.593 0.167 18156 8214 1 17 . 1 1 19 19 THR C C 19 175.400 175.400 175.553 -0.153 18156 8215 1 17 . 1 1 19 19 THR CA C 19 59.800 59.800 60.003 -0.203 18156 8216 1 17 . 1 1 19 19 THR CB C 19 72.100 72.100 71.640 0.460 18156 8217 1 17 . 1 1 19 19 THR H H 19 8.140 8.140 8.027 0.113 18156 8218 1 17 . 1 1 20 20 TRP N N 20 121.900 121.900 123.551 -1.651 18156 8219 1 17 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.864 0.036 18156 8220 1 17 . 1 1 20 20 TRP C C 20 176.600 176.600 177.192 -0.592 18156 8221 1 17 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.633 -0.632 18156 8222 1 17 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.540 -0.240 18156 8223 1 17 . 1 1 20 20 TRP H H 20 9.060 9.060 8.625 0.435 18156 8224 1 17 . 1 1 21 21 LYS N N 21 116.900 116.900 119.030 -2.130 18156 8225 1 17 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.940 -0.280 18156 8226 1 17 . 1 1 21 21 LYS C C 21 178.200 178.200 178.369 -0.169 18156 8227 1 17 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.490 0.210 18156 8228 1 17 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.672 0.528 18156 8229 1 17 . 1 1 21 21 LYS H H 21 8.320 8.320 8.359 -0.039 18156 8230 1 17 . 1 1 22 22 ASP N N 22 119.000 119.000 119.244 -0.244 18156 8231 1 17 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.323 -0.053 18156 8232 1 17 . 1 1 22 22 ASP C C 22 178.500 178.500 178.818 -0.318 18156 8233 1 17 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.475 -0.475 18156 8234 1 17 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.750 0.550 18156 8235 1 17 . 1 1 22 22 ASP H H 22 7.670 7.670 7.687 -0.017 18156 8236 1 17 . 1 1 23 23 PHE N N 23 120.000 120.000 121.809 -1.809 18156 8237 1 17 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.418 -0.168 18156 8238 1 17 . 1 1 23 23 PHE C C 23 177.500 177.500 176.742 0.758 18156 8239 1 17 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.132 -0.332 18156 8240 1 17 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.730 -1.130 18156 8241 1 17 . 1 1 23 23 PHE H H 23 8.430 8.430 7.895 0.535 18156 8242 1 17 . 1 1 24 24 VAL N N 24 120.700 120.700 118.864 1.836 18156 8243 1 17 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.881 -0.151 18156 8244 1 17 . 1 1 24 24 VAL C C 24 178.200 178.200 177.750 0.450 18156 8245 1 17 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.971 -0.071 18156 8246 1 17 . 1 1 24 24 VAL CB C 24 32.100 32.100 31.174 0.926 18156 8247 1 17 . 1 1 24 24 VAL H H 24 8.250 8.250 7.878 0.372 18156 8248 1 17 . 1 1 25 25 ASN N N 25 116.700 116.700 117.783 -1.083 18156 8249 1 17 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.372 -0.172 18156 8250 1 17 . 1 1 25 25 ASN C C 25 176.200 176.200 177.071 -0.871 18156 8251 1 17 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.755 0.245 18156 8252 1 17 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.408 0.292 18156 8253 1 17 . 1 1 25 25 ASN H H 25 8.260 8.260 7.890 0.370 18156 8254 1 17 . 1 1 26 26 ASN N N 26 112.300 112.300 115.964 -3.664 18156 8255 1 17 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.487 0.113 18156 8256 1 17 . 1 1 26 26 ASN C C 26 174.500 174.500 174.592 -0.092 18156 8257 1 17 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.777 -1.177 18156 8258 1 17 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.624 0.176 18156 8259 1 17 . 1 1 26 26 ASN H H 26 8.490 8.490 7.795 0.695 18156 8260 1 17 . 1 1 27 27 TYR N N 27 113.700 113.700 116.734 -3.034 18156 8261 1 17 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.641 0.189 18156 8262 1 17 . 1 1 27 27 TYR C C 27 176.500 176.500 177.145 -0.645 18156 8263 1 17 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.324 -1.124 18156 8264 1 17 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.935 0.365 18156 8265 1 17 . 1 1 27 27 TYR H H 27 7.000 7.000 7.131 -0.131 18156 8266 1 17 . 1 1 28 28 LEU N N 28 122.700 122.700 121.383 1.317 18156 8267 1 17 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.845 -0.015 18156 8268 1 17 . 1 1 28 28 LEU C C 28 179.700 179.700 178.818 0.882 18156 8269 1 17 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.812 0.488 18156 8270 1 17 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.385 0.015 18156 8271 1 17 . 1 1 28 28 LEU H H 28 8.180 8.180 8.182 -0.002 18156 8272 1 17 . 1 1 29 29 SER N N 29 109.300 109.300 115.161 -5.861 18156 8273 1 17 . 1 1 29 29 SER HA H 29 4.120 4.120 4.170 -0.050 18156 8274 1 17 . 1 1 29 29 SER C C 29 174.000 174.000 175.418 -1.418 18156 8275 1 17 . 1 1 29 29 SER CA C 29 60.300 60.300 61.052 -0.752 18156 8276 1 17 . 1 1 29 29 SER CB C 29 63.100 63.100 63.053 0.047 18156 8277 1 17 . 1 1 29 29 SER H H 29 7.940 7.940 8.154 -0.214 18156 8278 1 17 . 1 1 30 30 LYS N N 30 117.200 117.200 118.523 -1.323 18156 8279 1 17 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.419 0.041 18156 8280 1 17 . 1 1 30 30 LYS C C 30 177.200 177.200 176.360 0.840 18156 8281 1 17 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.526 -0.726 18156 8282 1 17 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.730 0.270 18156 8283 1 17 . 1 1 30 30 LYS H H 30 6.680 6.680 7.281 -0.601 18156 8284 1 17 . 1 1 31 31 GLY N N 31 107.100 107.100 108.785 -1.685 18156 8285 1 17 . 1 1 31 31 GLY C C 31 175.700 175.700 175.842 -0.142 18156 8286 1 17 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.315 1.085 18156 8287 1 17 . 1 1 31 31 GLY H H 31 7.660 7.660 7.673 -0.013 18156 8288 1 17 . 1 1 32 32 VAL N N 32 107.300 107.300 111.628 -4.328 18156 8289 1 17 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.285 0.345 18156 8290 1 17 . 1 1 32 32 VAL C C 32 174.800 174.800 175.621 -0.821 18156 8291 1 17 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.911 -2.111 18156 8292 1 17 . 1 1 32 32 VAL CB C 32 32.100 32.100 31.993 0.107 18156 8293 1 17 . 1 1 32 32 VAL H H 32 6.910 6.910 7.500 -0.590 18156 8294 1 17 . 1 1 33 33 VAL N N 33 122.000 122.000 119.348 2.652 18156 8295 1 17 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.029 -0.029 18156 8296 1 17 . 1 1 33 33 VAL C C 33 174.500 174.500 175.365 -0.865 18156 8297 1 17 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.866 1.434 18156 8298 1 17 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.166 -0.066 18156 8299 1 17 . 1 1 33 33 VAL H H 33 8.180 8.180 7.466 0.714 18156 8300 1 17 . 1 1 34 34 ASP N N 34 128.200 128.200 125.871 2.329 18156 8301 1 17 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.602 0.158 18156 8302 1 17 . 1 1 34 34 ASP C C 34 175.400 175.400 175.494 -0.094 18156 8303 1 17 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.703 -1.403 18156 8304 1 17 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.053 0.547 18156 8305 1 17 . 1 1 34 34 ASP H H 34 9.150 9.150 8.863 0.287 18156 8306 1 17 . 1 1 35 35 ARG N N 35 112.200 112.200 113.693 -1.493 18156 8307 1 17 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.786 -0.166 18156 8308 1 17 . 1 1 35 35 ARG C C 35 172.900 172.900 173.981 -1.081 18156 8309 1 17 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.703 0.597 18156 8310 1 17 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.530 -0.430 18156 8311 1 17 . 1 1 35 35 ARG H H 35 7.440 7.440 7.664 -0.224 18156 8312 1 17 . 1 1 36 36 LEU N N 36 120.400 120.400 122.648 -2.248 18156 8313 1 17 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.230 -0.210 18156 8314 1 17 . 1 1 36 36 LEU C C 36 174.800 174.800 176.024 -1.224 18156 8315 1 17 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.570 -0.570 18156 8316 1 17 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.232 0.668 18156 8317 1 17 . 1 1 36 36 LEU H H 36 8.410 8.410 8.802 -0.392 18156 8318 1 17 . 1 1 37 37 GLU N N 37 120.800 120.800 125.232 -4.432 18156 8319 1 17 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.631 0.299 18156 8320 1 17 . 1 1 37 37 GLU C C 37 174.400 174.400 175.753 -1.353 18156 8321 1 17 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.112 -1.812 18156 8322 1 17 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.238 1.462 18156 8323 1 17 . 1 1 37 37 GLU H H 37 8.470 8.470 8.446 0.024 18156 8324 1 17 . 1 1 38 38 VAL N N 38 125.600 125.600 127.329 -1.729 18156 8325 1 17 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.976 0.034 18156 8326 1 17 . 1 1 38 38 VAL C C 38 175.500 175.500 175.248 0.252 18156 8327 1 17 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.074 0.326 18156 8328 1 17 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.657 0.143 18156 8329 1 17 . 1 1 38 38 VAL H H 38 9.130 9.130 8.353 0.777 18156 8330 1 17 . 1 1 39 39 VAL N N 39 131.700 131.700 129.610 2.090 18156 8331 1 17 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.620 0.560 18156 8332 1 17 . 1 1 39 39 VAL C C 39 175.600 175.600 175.323 0.277 18156 8333 1 17 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.406 -0.706 18156 8334 1 17 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.530 0.270 18156 8335 1 17 . 1 1 39 39 VAL H H 39 9.040 9.040 7.810 1.230 18156 8336 1 17 . 1 1 40 40 ASN N N 40 125.000 125.000 124.250 0.750 18156 8337 1 17 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.259 0.201 18156 8338 1 17 . 1 1 40 40 ASN C C 40 173.300 173.300 174.709 -1.409 18156 8339 1 17 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.185 -0.085 18156 8340 1 17 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.396 0.604 18156 8341 1 17 . 1 1 40 40 ASN H H 40 9.060 9.060 8.515 0.545 18156 8342 1 17 . 1 1 41 41 LYS N N 41 109.900 109.900 111.392 -1.492 18156 8343 1 17 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.720 -0.480 18156 8344 1 17 . 1 1 41 41 LYS C C 41 175.000 175.000 175.870 -0.870 18156 8345 1 17 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.378 -0.078 18156 8346 1 17 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.018 -0.418 18156 8347 1 17 . 1 1 41 41 LYS H H 41 9.250 9.250 7.844 1.406 18156 8348 1 17 . 1 1 42 42 ARG N N 42 115.800 115.800 118.212 -2.412 18156 8349 1 17 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.250 0.460 18156 8350 1 17 . 1 1 42 42 ARG C C 42 174.900 174.900 175.770 -0.870 18156 8351 1 17 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.649 -1.449 18156 8352 1 17 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.330 1.870 18156 8353 1 17 . 1 1 42 42 ARG H H 42 8.110 8.110 7.481 0.629 18156 8354 1 17 . 1 1 43 43 PHE N N 43 115.100 115.100 112.059 3.041 18156 8355 1 17 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.038 0.122 18156 8356 1 17 . 1 1 43 43 PHE C C 43 171.200 171.200 172.656 -1.456 18156 8357 1 17 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.283 -0.583 18156 8358 1 17 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.242 -0.142 18156 8359 1 17 . 1 1 43 43 PHE H H 43 7.610 7.610 7.381 0.229 18156 8360 1 17 . 1 1 44 44 VAL N N 44 121.200 121.200 118.530 2.670 18156 8361 1 17 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.941 0.649 18156 8362 1 17 . 1 1 44 44 VAL C C 44 174.600 174.600 174.509 0.091 18156 8363 1 17 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.797 -0.997 18156 8364 1 17 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.364 -0.464 18156 8365 1 17 . 1 1 44 44 VAL H H 44 9.030 9.030 8.480 0.550 18156 8366 1 17 . 1 1 45 45 ARG N N 45 125.000 125.000 127.258 -2.258 18156 8367 1 17 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.605 0.355 18156 8368 1 17 . 1 1 45 45 ARG C C 45 175.400 175.400 175.052 0.348 18156 8369 1 17 . 1 1 45 45 ARG CA C 45 55.000 55.000 55.010 -0.010 18156 8370 1 17 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.982 1.218 18156 8371 1 17 . 1 1 45 45 ARG H H 45 9.320 9.320 8.379 0.941 18156 8372 1 17 . 1 1 46 46 VAL N N 46 127.200 127.200 129.346 -2.146 18156 8373 1 17 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.085 0.025 18156 8374 1 17 . 1 1 46 46 VAL C C 46 174.700 174.700 174.932 -0.232 18156 8375 1 17 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.337 -0.137 18156 8376 1 17 . 1 1 46 46 VAL CB C 46 33.100 33.100 30.416 2.684 18156 8377 1 17 . 1 1 46 46 VAL H H 46 8.770 8.770 8.662 0.108 18156 8378 1 17 . 1 1 47 47 THR N N 47 120.800 120.800 124.473 -3.673 18156 8379 1 17 . 1 1 47 47 THR HA H 47 4.700 4.700 4.759 -0.059 18156 8380 1 17 . 1 1 47 47 THR C C 47 174.500 174.500 173.783 0.717 18156 8381 1 17 . 1 1 47 47 THR CA C 47 61.300 61.300 61.413 -0.114 18156 8382 1 17 . 1 1 47 47 THR CB C 47 69.800 69.800 70.579 -0.779 18156 8383 1 17 . 1 1 47 47 THR H H 47 8.110 8.110 8.211 -0.101 18156 8384 1 17 . 1 1 48 48 PHE N N 48 125.700 125.700 124.316 1.384 18156 8385 1 17 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.854 0.496 18156 8386 1 17 . 1 1 48 48 PHE C C 48 176.000 176.000 176.891 -0.891 18156 8387 1 17 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.508 -0.208 18156 8388 1 17 . 1 1 48 48 PHE CB C 48 41.400 41.400 41.245 0.155 18156 8389 1 17 . 1 1 48 48 PHE H H 48 9.000 9.000 8.806 0.194 18156 8390 1 17 . 1 1 49 49 THR N N 49 118.900 118.900 113.614 5.286 18156 8391 1 17 . 1 1 49 49 THR HA H 49 4.330 4.330 4.502 -0.172 18156 8392 1 17 . 1 1 49 49 THR CA C 49 61.200 61.200 60.821 0.379 18156 8393 1 17 . 1 1 49 49 THR CB C 49 69.400 69.400 68.436 0.964 18156 8394 1 17 . 1 1 49 49 THR H H 49 8.620 8.620 8.535 0.085 18156 8395 1 17 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.197 0.163 18156 8396 1 17 . 1 1 50 50 PRO C C 50 177.700 177.700 177.761 -0.061 18156 8397 1 17 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.343 0.157 18156 8398 1 17 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.586 1.214 18156 8399 1 17 . 1 1 51 51 GLY N N 51 111.300 111.300 113.711 -2.411 18156 8400 1 17 . 1 1 51 51 GLY C C 51 175.200 175.200 174.849 0.351 18156 8401 1 17 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.027 0.373 18156 8402 1 17 . 1 1 51 51 GLY H H 51 8.880 8.880 8.937 -0.057 18156 8403 1 17 . 1 1 52 52 LYS N N 52 118.900 118.900 121.363 -2.463 18156 8404 1 17 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.232 0.338 18156 8405 1 17 . 1 1 52 52 LYS C C 52 175.800 175.800 176.726 -0.926 18156 8406 1 17 . 1 1 52 52 LYS CA C 52 54.800 54.800 57.474 -2.674 18156 8407 1 17 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.223 -0.623 18156 8408 1 17 . 1 1 52 52 LYS H H 52 8.110 8.110 8.143 -0.033 18156 8409 1 17 . 1 1 53 53 THR N N 53 114.700 114.700 115.140 -0.440 18156 8410 1 17 . 1 1 53 53 THR HA H 53 4.180 4.180 4.444 -0.264 18156 8411 1 17 . 1 1 53 53 THR CA C 53 60.400 60.400 58.745 1.655 18156 8412 1 17 . 1 1 53 53 THR CB C 53 69.100 69.100 68.727 0.373 18156 8413 1 17 . 1 1 53 53 THR H H 53 7.700 7.700 7.947 -0.247 18156 8414 1 17 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.620 -0.210 18156 8415 1 17 . 1 1 54 54 PRO C C 54 177.500 177.500 178.128 -0.628 18156 8416 1 17 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.012 1.188 18156 8417 1 17 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.618 -0.318 18156 8418 1 17 . 1 1 55 55 VAL N N 55 119.300 119.300 119.100 0.200 18156 8419 1 17 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.785 0.215 18156 8420 1 17 . 1 1 55 55 VAL C C 55 176.000 176.000 176.659 -0.659 18156 8421 1 17 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.672 -1.372 18156 8422 1 17 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.850 0.550 18156 8423 1 17 . 1 1 55 55 VAL H H 55 8.190 8.190 8.216 -0.026 18156 8424 1 17 . 1 1 56 56 ASP N N 56 120.300 120.300 118.263 2.037 18156 8425 1 17 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.371 0.199 18156 8426 1 17 . 1 1 56 56 ASP C C 56 177.000 177.000 177.450 -0.450 18156 8427 1 17 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.059 -0.759 18156 8428 1 17 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.980 -0.280 18156 8429 1 17 . 1 1 56 56 ASP H H 56 8.170 8.170 8.232 -0.062 18156 8430 1 17 . 1 1 57 57 GLY N N 57 108.300 108.300 107.089 1.211 18156 8431 1 17 . 1 1 57 57 GLY C C 57 173.700 173.700 174.603 -0.903 18156 8432 1 17 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.034 0.766 18156 8433 1 17 . 1 1 57 57 GLY H H 57 8.110 8.110 7.881 0.229 18156 8434 1 17 . 1 1 58 58 GLN N N 58 118.900 118.900 114.621 4.279 18156 8435 1 17 . 1 1 58 58 GLN HA H 58 4.500 4.500 3.864 0.636 18156 8436 1 17 . 1 1 58 58 GLN C C 58 175.700 175.700 174.465 1.235 18156 8437 1 17 . 1 1 58 58 GLN CA C 58 56.200 56.200 56.888 -0.688 18156 8438 1 17 . 1 1 58 58 GLN CB C 58 30.200 30.200 26.463 3.737 18156 8439 1 17 . 1 1 58 58 GLN H H 58 8.070 8.070 7.902 0.168 18156 8440 1 17 . 1 1 59 59 TYR N N 59 118.800 118.800 117.225 1.575 18156 8441 1 17 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.704 0.426 18156 8442 1 17 . 1 1 59 59 TYR C C 59 177.500 177.500 176.700 0.800 18156 8443 1 17 . 1 1 59 59 TYR CA C 59 56.700 56.700 59.423 -2.723 18156 8444 1 17 . 1 1 59 59 TYR CB C 59 39.300 39.300 38.512 0.788 18156 8445 1 17 . 1 1 59 59 TYR H H 59 8.110 8.110 7.511 0.599 18156 8446 1 17 . 1 1 60 60 VAL N N 60 115.600 115.600 115.976 -0.376 18156 8447 1 17 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.360 0.140 18156 8448 1 17 . 1 1 60 60 VAL C C 60 174.700 174.700 174.850 -0.150 18156 8449 1 17 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.676 0.324 18156 8450 1 17 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.859 -0.859 18156 8451 1 17 . 1 1 60 60 VAL H H 60 8.250 8.250 8.286 -0.036 18156 8452 1 17 . 1 1 61 61 TRP N N 61 120.800 120.800 119.464 1.336 18156 8453 1 17 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.422 0.498 18156 8454 1 17 . 1 1 61 61 TRP C C 61 172.700 172.700 173.526 -0.826 18156 8455 1 17 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.697 -0.697 18156 8456 1 17 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.696 0.204 18156 8457 1 17 . 1 1 61 61 TRP H H 61 8.500 8.500 8.801 -0.301 18156 8458 1 17 . 1 1 62 62 PHE N N 62 112.100 112.100 114.642 -2.542 18156 8459 1 17 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.863 0.177 18156 8460 1 17 . 1 1 62 62 PHE C C 62 174.800 174.800 173.656 1.144 18156 8461 1 17 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.748 -1.348 18156 8462 1 17 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.309 0.591 18156 8463 1 17 . 1 1 62 62 PHE H H 62 8.700 8.700 8.471 0.229 18156 8464 1 17 . 1 1 63 63 ASN N N 63 120.800 120.800 120.283 0.517 18156 8465 1 17 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.125 0.035 18156 8466 1 17 . 1 1 63 63 ASN C C 63 175.800 175.800 174.729 1.071 18156 8467 1 17 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.258 0.842 18156 8468 1 17 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.210 1.390 18156 8469 1 17 . 1 1 63 63 ASN H H 63 9.340 9.340 8.688 0.652 18156 8470 1 17 . 1 1 64 64 ILE N N 64 113.400 113.400 116.104 -2.704 18156 8471 1 17 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.770 -0.120 18156 8472 1 17 . 1 1 64 64 ILE C C 64 175.300 175.300 175.551 -0.251 18156 8473 1 17 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.672 0.428 18156 8474 1 17 . 1 1 64 64 ILE CB C 64 42.100 42.100 40.799 1.301 18156 8475 1 17 . 1 1 64 64 ILE H H 64 7.820 7.820 8.269 -0.449 18156 8476 1 17 . 1 1 65 65 GLY N N 65 110.700 110.700 107.625 3.075 18156 8477 1 17 . 1 1 65 65 GLY C C 65 174.300 174.300 174.799 -0.499 18156 8478 1 17 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.649 0.151 18156 8479 1 17 . 1 1 65 65 GLY H H 65 8.570 8.570 8.502 0.068 18156 8480 1 17 . 1 1 66 66 SER N N 66 113.800 113.800 118.444 -4.644 18156 8481 1 17 . 1 1 66 66 SER HA H 66 4.730 4.730 4.866 -0.136 18156 8482 1 17 . 1 1 66 66 SER C C 66 175.500 175.500 175.267 0.233 18156 8483 1 17 . 1 1 66 66 SER CA C 66 56.800 56.800 56.181 0.619 18156 8484 1 17 . 1 1 66 66 SER CB C 66 64.500 64.500 63.360 1.140 18156 8485 1 17 . 1 1 66 66 SER H H 66 7.680 7.680 8.013 -0.333 18156 8486 1 17 . 1 1 67 67 VAL N N 67 127.000 127.000 129.664 -2.664 18156 8487 1 17 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.791 0.029 18156 8488 1 17 . 1 1 67 67 VAL C C 67 176.700 176.700 177.160 -0.460 18156 8489 1 17 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.574 1.026 18156 8490 1 17 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.910 -0.209 18156 8491 1 17 . 1 1 67 67 VAL H H 67 9.150 9.150 8.952 0.198 18156 8492 1 17 . 1 1 68 68 ASP N N 68 118.800 118.800 119.062 -0.262 18156 8493 1 17 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.355 0.095 18156 8494 1 17 . 1 1 68 68 ASP C C 68 178.700 178.700 178.388 0.312 18156 8495 1 17 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.891 -0.591 18156 8496 1 17 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.559 0.141 18156 8497 1 17 . 1 1 68 68 ASP H H 68 8.320 8.320 8.565 -0.245 18156 8498 1 17 . 1 1 69 69 THR N N 69 114.500 114.500 115.896 -1.396 18156 8499 1 17 . 1 1 69 69 THR HA H 69 3.910 3.910 4.018 -0.108 18156 8500 1 17 . 1 1 69 69 THR C C 69 175.500 175.500 176.412 -0.912 18156 8501 1 17 . 1 1 69 69 THR CA C 69 65.600 65.600 66.308 -0.708 18156 8502 1 17 . 1 1 69 69 THR CB C 69 68.900 68.900 68.837 0.063 18156 8503 1 17 . 1 1 69 69 THR H H 69 7.710 7.710 7.499 0.211 18156 8504 1 17 . 1 1 70 70 PHE N N 70 122.800 122.800 122.268 0.532 18156 8505 1 17 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.955 0.365 18156 8506 1 17 . 1 1 70 70 PHE C C 70 176.000 176.000 176.990 -0.990 18156 8507 1 17 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.324 -0.824 18156 8508 1 17 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.114 -0.014 18156 8509 1 17 . 1 1 70 70 PHE H H 70 7.680 7.680 8.157 -0.477 18156 8510 1 17 . 1 1 71 71 GLU N N 71 118.400 118.400 118.641 -0.241 18156 8511 1 17 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.780 -0.410 18156 8512 1 17 . 1 1 71 71 GLU C C 71 179.900 179.900 179.222 0.678 18156 8513 1 17 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.768 0.432 18156 8514 1 17 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.386 -0.186 18156 8515 1 17 . 1 1 71 71 GLU H H 71 8.660 8.660 8.320 0.340 18156 8516 1 17 . 1 1 72 72 ARG N N 72 119.500 119.500 117.648 1.852 18156 8517 1 17 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.334 -0.174 18156 8518 1 17 . 1 1 72 72 ARG C C 72 179.200 179.200 178.314 0.886 18156 8519 1 17 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.882 0.218 18156 8520 1 17 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.864 0.236 18156 8521 1 17 . 1 1 72 72 ARG H H 72 7.960 7.960 8.148 -0.188 18156 8522 1 17 . 1 1 73 73 ASN N N 73 119.900 119.900 119.082 0.818 18156 8523 1 17 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.565 -0.055 18156 8524 1 17 . 1 1 73 73 ASN C C 73 178.100 178.100 178.017 0.083 18156 8525 1 17 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.572 -0.072 18156 8526 1 17 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.977 -0.577 18156 8527 1 17 . 1 1 73 73 ASN H H 73 8.610 8.610 7.780 0.830 18156 8528 1 17 . 1 1 74 74 LEU N N 74 121.900 121.900 122.164 -0.264 18156 8529 1 17 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.286 -0.036 18156 8530 1 17 . 1 1 74 74 LEU C C 74 179.100 179.100 178.012 1.088 18156 8531 1 17 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.546 -0.246 18156 8532 1 17 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.749 0.051 18156 8533 1 17 . 1 1 74 74 LEU H H 74 8.720 8.720 8.223 0.497 18156 8534 1 17 . 1 1 75 75 GLU N N 75 120.700 120.700 117.348 3.352 18156 8535 1 17 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.949 0.161 18156 8536 1 17 . 1 1 75 75 GLU C C 75 178.900 178.900 179.062 -0.162 18156 8537 1 17 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.369 0.531 18156 8538 1 17 . 1 1 75 75 GLU CB C 75 29.300 29.300 28.924 0.376 18156 8539 1 17 . 1 1 75 75 GLU H H 75 8.070 8.070 8.396 -0.326 18156 8540 1 17 . 1 1 76 76 THR N N 76 115.700 115.700 117.427 -1.727 18156 8541 1 17 . 1 1 76 76 THR HA H 76 4.000 4.000 4.277 -0.277 18156 8542 1 17 . 1 1 76 76 THR C C 76 176.600 176.600 176.753 -0.153 18156 8543 1 17 . 1 1 76 76 THR CA C 76 66.500 66.500 66.107 0.393 18156 8544 1 17 . 1 1 76 76 THR CB C 76 69.000 69.000 68.837 0.163 18156 8545 1 17 . 1 1 76 76 THR H H 76 8.400 8.400 7.684 0.716 18156 8546 1 17 . 1 1 77 77 LEU N N 77 122.200 122.200 123.233 -1.033 18156 8547 1 17 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.301 -0.041 18156 8548 1 17 . 1 1 77 77 LEU C C 77 179.200 179.200 178.930 0.270 18156 8549 1 17 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.094 -0.794 18156 8550 1 17 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.661 0.239 18156 8551 1 17 . 1 1 77 77 LEU H H 77 8.330 8.330 8.243 0.087 18156 8552 1 17 . 1 1 78 78 GLN N N 78 115.700 115.700 117.151 -1.451 18156 8553 1 17 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.863 0.017 18156 8554 1 17 . 1 1 78 78 GLN C C 78 177.600 177.600 178.346 -0.746 18156 8555 1 17 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.326 1.974 18156 8556 1 17 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.582 0.818 18156 8557 1 17 . 1 1 78 78 GLN H H 78 8.200 8.200 8.362 -0.162 18156 8558 1 17 . 1 1 79 79 GLN N N 79 118.400 118.400 118.193 0.207 18156 8559 1 17 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.043 0.097 18156 8560 1 17 . 1 1 79 79 GLN C C 79 180.000 180.000 178.656 1.344 18156 8561 1 17 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.483 0.717 18156 8562 1 17 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.305 -0.105 18156 8563 1 17 . 1 1 79 79 GLN H H 79 7.980 7.980 7.890 0.090 18156 8564 1 17 . 1 1 80 80 GLU N N 80 121.700 121.700 120.645 1.055 18156 8565 1 17 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.117 -0.067 18156 8566 1 17 . 1 1 80 80 GLU C C 80 178.800 178.800 178.580 0.220 18156 8567 1 17 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.521 0.779 18156 8568 1 17 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.664 -0.064 18156 8569 1 17 . 1 1 80 80 GLU H H 80 8.400 8.400 7.857 0.543 18156 8570 1 17 . 1 1 81 81 LEU N N 81 117.200 117.200 117.984 -0.784 18156 8571 1 17 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.203 0.097 18156 8572 1 17 . 1 1 81 81 LEU C C 81 177.400 177.400 178.150 -0.750 18156 8573 1 17 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.736 -0.636 18156 8574 1 17 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.230 0.570 18156 8575 1 17 . 1 1 81 81 LEU H H 81 8.120 8.120 7.998 0.122 18156 8576 1 17 . 1 1 82 82 GLY N N 82 108.900 108.900 106.434 2.466 18156 8577 1 17 . 1 1 82 82 GLY C C 82 174.600 174.600 174.753 -0.153 18156 8578 1 17 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.284 1.016 18156 8579 1 17 . 1 1 82 82 GLY H H 82 7.840 7.840 7.547 0.293 18156 8580 1 17 . 1 1 83 83 ILE N N 83 121.900 121.900 124.534 -2.634 18156 8581 1 17 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.943 0.057 18156 8582 1 17 . 1 1 83 83 ILE C C 83 175.300 175.300 174.829 0.471 18156 8583 1 17 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.190 -0.690 18156 8584 1 17 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.500 1.300 18156 8585 1 17 . 1 1 83 83 ILE H H 83 8.250 8.250 7.796 0.454 18156 8586 1 17 . 1 1 84 84 GLU N N 84 126.600 126.600 124.965 1.635 18156 8587 1 17 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.667 -0.167 18156 8588 1 17 . 1 1 84 84 GLU C C 84 177.400 177.400 176.940 0.460 18156 8589 1 17 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.218 1.082 18156 8590 1 17 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.600 0.000 18156 8591 1 17 . 1 1 84 84 GLU H H 84 8.760 8.760 7.742 1.018 18156 8592 1 17 . 1 1 85 85 GLY N N 85 109.400 109.400 112.565 -3.165 18156 8593 1 17 . 1 1 85 85 GLY C C 85 176.600 176.600 175.937 0.663 18156 8594 1 17 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.803 0.597 18156 8595 1 17 . 1 1 85 85 GLY H H 85 8.870 8.870 8.840 0.030 18156 8596 1 17 . 1 1 86 86 GLU N N 86 123.900 123.900 124.886 -0.986 18156 8597 1 17 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.107 0.143 18156 8598 1 17 . 1 1 86 86 GLU C C 86 176.200 176.200 177.245 -1.045 18156 8599 1 17 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.309 -0.509 18156 8600 1 17 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.524 -0.424 18156 8601 1 17 . 1 1 86 86 GLU H H 86 9.240 9.240 8.778 0.462 18156 8602 1 17 . 1 1 87 87 ASN N N 87 115.900 115.900 115.646 0.254 18156 8603 1 17 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.694 0.136 18156 8604 1 17 . 1 1 87 87 ASN C C 87 174.600 174.600 175.475 -0.875 18156 8605 1 17 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.845 -0.645 18156 8606 1 17 . 1 1 87 87 ASN CB C 87 39.400 39.400 38.832 0.568 18156 8607 1 17 . 1 1 87 87 ASN H H 87 8.050 8.050 7.786 0.264 18156 8608 1 17 . 1 1 88 88 ARG N N 88 119.300 119.300 120.288 -0.988 18156 8609 1 17 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.117 -0.067 18156 8610 1 17 . 1 1 88 88 ARG C C 88 176.600 176.600 176.278 0.322 18156 8611 1 17 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.254 0.346 18156 8612 1 17 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.341 0.259 18156 8613 1 17 . 1 1 88 88 ARG H H 88 7.230 7.230 7.511 -0.281 18156 8614 1 17 . 1 1 89 89 VAL N N 89 124.700 124.700 125.019 -0.319 18156 8615 1 17 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.212 0.078 18156 8616 1 17 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.733 0.266 18156 8617 1 17 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.280 1.819 18156 8618 1 17 . 1 1 89 89 VAL H H 89 8.780 8.780 8.305 0.475 18156 8619 1 17 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.477 0.033 18156 8620 1 17 . 1 1 90 90 PRO C C 90 175.100 175.100 175.275 -0.175 18156 8621 1 17 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.847 0.253 18156 8622 1 17 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.206 0.394 18156 8623 1 17 . 1 1 91 91 VAL N N 91 121.600 121.600 123.337 -1.737 18156 8624 1 17 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.727 0.083 18156 8625 1 17 . 1 1 91 91 VAL C C 91 176.100 176.100 175.651 0.449 18156 8626 1 17 . 1 1 91 91 VAL CA C 91 61.300 61.300 60.929 0.371 18156 8627 1 17 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.940 1.260 18156 8628 1 17 . 1 1 91 91 VAL H H 91 8.030 8.030 8.204 -0.174 18156 8629 1 17 . 1 1 92 92 VAL N N 92 124.800 124.800 128.704 -3.904 18156 8630 1 17 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.123 0.417 18156 8631 1 17 . 1 1 92 92 VAL C C 92 173.600 173.600 175.016 -1.416 18156 8632 1 17 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.069 -1.369 18156 8633 1 17 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.041 2.859 18156 8634 1 17 . 1 1 92 92 VAL H H 92 8.640 8.640 8.337 0.303 18156 8635 1 17 . 1 1 93 93 TYR N N 93 124.700 124.700 127.266 -2.566 18156 8636 1 17 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.329 0.601 18156 8637 1 17 . 1 1 93 93 TYR C C 93 175.700 175.700 175.979 -0.279 18156 8638 1 17 . 1 1 93 93 TYR CA C 93 57.400 57.400 57.953 -0.553 18156 8639 1 17 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.046 1.454 18156 8640 1 17 . 1 1 93 93 TYR H H 93 8.800 8.800 8.241 0.559 18156 8641 1 17 . 1 1 94 94 ILE N N 94 123.100 123.100 125.831 -2.731 18156 8642 1 17 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.128 0.382 18156 8643 1 17 . 1 1 94 94 ILE C C 94 173.700 173.700 175.324 -1.624 18156 8644 1 17 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.115 -0.915 18156 8645 1 17 . 1 1 94 94 ILE CB C 94 41.500 41.500 38.232 3.268 18156 8646 1 17 . 1 1 94 94 ILE H H 94 9.000 9.000 8.226 0.774 18156 8647 1 17 . 1 1 95 95 ALA N N 95 128.000 128.000 129.739 -1.739 18156 8648 1 17 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.552 0.438 18156 8649 1 17 . 1 1 95 95 ALA C C 95 177.000 177.000 176.937 0.063 18156 8650 1 17 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.840 -0.340 18156 8651 1 17 . 1 1 95 95 ALA CB C 95 20.400 20.400 20.586 -0.186 18156 8652 1 17 . 1 1 95 95 ALA H H 95 8.450 8.450 8.304 0.146 18156 8653 1 17 . 1 1 96 96 GLU N N 96 122.200 122.200 124.878 -2.678 18156 8654 1 17 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.115 0.405 18156 8655 1 17 . 1 1 96 96 GLU C C 96 176.000 176.000 177.294 -1.294 18156 8656 1 17 . 1 1 96 96 GLU CA C 96 55.500 55.500 58.024 -2.524 18156 8657 1 17 . 1 1 96 96 GLU CB C 96 32.800 32.800 29.903 2.897 18156 8658 1 17 . 1 1 96 96 GLU H H 96 8.850 8.850 8.545 0.305 18156 8659 1 17 . 1 1 97 97 SER N N 97 118.600 118.600 114.187 4.413 18156 8660 1 17 . 1 1 97 97 SER HA H 97 4.430 4.430 4.557 -0.127 18156 8661 1 17 . 1 1 97 97 SER C C 97 174.200 174.200 174.174 0.026 18156 8662 1 17 . 1 1 97 97 SER CA C 97 58.500 58.500 58.758 -0.258 18156 8663 1 17 . 1 1 97 97 SER CB C 97 63.800 63.800 63.122 0.678 18156 8664 1 17 . 1 1 97 97 SER H H 97 8.650 8.650 8.240 0.410 18156 8665 1 17 . 1 1 98 98 ASP N N 98 123.200 123.200 121.477 1.723 18156 8666 1 17 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.562 0.108 18156 8667 1 17 . 1 1 98 98 ASP C C 98 175.500 175.500 176.534 -1.034 18156 8668 1 17 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.696 -0.295 18156 8669 1 17 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.260 0.140 18156 8670 1 17 . 1 1 98 98 ASP H H 98 8.500 8.500 7.977 0.523 18156 8671 1 18 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.498 -1.998 18156 8672 1 18 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.569 0.021 18156 8673 1 18 . 1 1 10 10 HIS C C 10 175.500 175.500 174.843 0.657 18156 8674 1 18 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.835 0.665 18156 8675 1 18 . 1 1 10 10 HIS CB C 10 30.200 30.200 29.706 0.494 18156 8676 1 18 . 1 1 11 11 MET N N 11 120.900 120.900 120.724 0.176 18156 8677 1 18 . 1 1 11 11 MET HA H 11 4.290 4.290 3.779 0.511 18156 8678 1 18 . 1 1 11 11 MET C C 11 176.300 176.300 174.862 1.438 18156 8679 1 18 . 1 1 11 11 MET CA C 11 55.900 55.900 55.377 0.523 18156 8680 1 18 . 1 1 11 11 MET CB C 11 32.700 32.700 33.370 -0.670 18156 8681 1 18 . 1 1 11 11 MET H H 11 8.210 8.210 7.356 0.854 18156 8682 1 18 . 1 1 12 12 LYS N N 12 122.100 122.100 126.980 -4.880 18156 8683 1 18 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.841 -0.711 18156 8684 1 18 . 1 1 12 12 LYS C C 12 176.700 176.700 176.127 0.573 18156 8685 1 18 . 1 1 12 12 LYS CA C 12 56.800 56.800 55.335 1.465 18156 8686 1 18 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.614 0.186 18156 8687 1 18 . 1 1 12 12 LYS H H 12 8.300 8.300 8.406 -0.106 18156 8688 1 18 . 1 1 13 13 ARG N N 13 121.500 121.500 122.510 -1.010 18156 8689 1 18 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.324 -0.054 18156 8690 1 18 . 1 1 13 13 ARG C C 13 176.200 176.200 176.296 -0.096 18156 8691 1 18 . 1 1 13 13 ARG CA C 13 56.200 56.200 57.603 -1.403 18156 8692 1 18 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.993 -0.193 18156 8693 1 18 . 1 1 13 13 ARG H H 13 8.160 8.160 8.463 -0.303 18156 8694 1 18 . 1 1 14 14 SER N N 14 116.700 116.700 113.267 3.433 18156 8695 1 18 . 1 1 14 14 SER HA H 14 4.530 4.530 4.358 0.172 18156 8696 1 18 . 1 1 14 14 SER C C 14 173.600 173.600 173.145 0.455 18156 8697 1 18 . 1 1 14 14 SER CA C 14 58.300 58.300 58.035 0.265 18156 8698 1 18 . 1 1 14 14 SER CB C 14 64.100 64.100 63.085 1.015 18156 8699 1 18 . 1 1 14 14 SER H H 14 8.160 8.160 7.958 0.202 18156 8700 1 18 . 1 1 15 15 GLY N N 15 109.300 109.300 111.764 -2.464 18156 8701 1 18 . 1 1 15 15 GLY C C 15 173.000 173.000 173.289 -0.289 18156 8702 1 18 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.618 0.082 18156 8703 1 18 . 1 1 15 15 GLY H H 15 8.100 8.100 7.755 0.345 18156 8704 1 18 . 1 1 16 16 ARG N N 16 122.300 122.300 123.785 -1.485 18156 8705 1 18 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.955 -0.425 18156 8706 1 18 . 1 1 16 16 ARG C C 16 173.200 173.200 174.915 -1.715 18156 8707 1 18 . 1 1 16 16 ARG CA C 16 55.300 55.300 53.268 2.032 18156 8708 1 18 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.609 1.291 18156 8709 1 18 . 1 1 16 16 ARG H H 16 8.460 8.460 8.014 0.446 18156 8710 1 18 . 1 1 17 17 GLU N N 17 126.800 126.800 126.546 0.254 18156 8711 1 18 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.013 -0.793 18156 8712 1 18 . 1 1 17 17 GLU C C 17 177.000 177.000 175.983 1.017 18156 8713 1 18 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.833 -0.833 18156 8714 1 18 . 1 1 17 17 GLU CB C 17 30.100 30.100 30.078 0.022 18156 8715 1 18 . 1 1 17 17 GLU H H 17 8.190 8.190 8.610 -0.420 18156 8716 1 18 . 1 1 18 18 ILE N N 18 122.600 122.600 121.138 1.462 18156 8717 1 18 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.673 0.287 18156 8718 1 18 . 1 1 18 18 ILE C C 18 174.600 174.600 174.514 0.086 18156 8719 1 18 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.789 0.410 18156 8720 1 18 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.871 0.029 18156 8721 1 18 . 1 1 18 18 ILE H H 18 8.870 8.870 8.675 0.195 18156 8722 1 18 . 1 1 19 19 THR N N 19 108.700 108.700 110.493 -1.793 18156 8723 1 18 . 1 1 19 19 THR HA H 19 4.760 4.760 4.758 0.002 18156 8724 1 18 . 1 1 19 19 THR C C 19 175.400 175.400 175.350 0.050 18156 8725 1 18 . 1 1 19 19 THR CA C 19 59.800 59.800 59.619 0.181 18156 8726 1 18 . 1 1 19 19 THR CB C 19 72.100 72.100 71.994 0.106 18156 8727 1 18 . 1 1 19 19 THR H H 19 8.140 8.140 8.488 -0.348 18156 8728 1 18 . 1 1 20 20 TRP N N 20 121.900 121.900 123.264 -1.364 18156 8729 1 18 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.593 0.307 18156 8730 1 18 . 1 1 20 20 TRP C C 20 176.600 176.600 177.093 -0.493 18156 8731 1 18 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.752 -0.752 18156 8732 1 18 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.528 -0.228 18156 8733 1 18 . 1 1 20 20 TRP H H 20 9.060 9.060 8.740 0.320 18156 8734 1 18 . 1 1 21 21 LYS N N 21 116.900 116.900 118.906 -2.006 18156 8735 1 18 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.812 -0.152 18156 8736 1 18 . 1 1 21 21 LYS C C 21 178.200 178.200 178.124 0.076 18156 8737 1 18 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.649 0.051 18156 8738 1 18 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.099 0.101 18156 8739 1 18 . 1 1 21 21 LYS H H 21 8.320 8.320 8.250 0.070 18156 8740 1 18 . 1 1 22 22 ASP N N 22 119.000 119.000 119.041 -0.041 18156 8741 1 18 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.383 -0.113 18156 8742 1 18 . 1 1 22 22 ASP C C 22 178.500 178.500 178.627 -0.127 18156 8743 1 18 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.543 -0.543 18156 8744 1 18 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.639 0.661 18156 8745 1 18 . 1 1 22 22 ASP H H 22 7.670 7.670 7.595 0.075 18156 8746 1 18 . 1 1 23 23 PHE N N 23 120.000 120.000 121.793 -1.793 18156 8747 1 18 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.297 -0.047 18156 8748 1 18 . 1 1 23 23 PHE C C 23 177.500 177.500 176.997 0.503 18156 8749 1 18 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.043 -0.243 18156 8750 1 18 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.767 -1.167 18156 8751 1 18 . 1 1 23 23 PHE H H 23 8.430 8.430 7.904 0.526 18156 8752 1 18 . 1 1 24 24 VAL N N 24 120.700 120.700 118.371 2.329 18156 8753 1 18 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.872 -0.142 18156 8754 1 18 . 1 1 24 24 VAL C C 24 178.200 178.200 178.003 0.197 18156 8755 1 18 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.397 0.503 18156 8756 1 18 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.510 1.590 18156 8757 1 18 . 1 1 24 24 VAL H H 24 8.250 8.250 7.931 0.319 18156 8758 1 18 . 1 1 25 25 ASN N N 25 116.700 116.700 119.297 -2.597 18156 8759 1 18 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.396 -0.196 18156 8760 1 18 . 1 1 25 25 ASN C C 25 176.200 176.200 177.405 -1.205 18156 8761 1 18 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.801 0.199 18156 8762 1 18 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.117 0.583 18156 8763 1 18 . 1 1 25 25 ASN H H 25 8.260 8.260 7.829 0.431 18156 8764 1 18 . 1 1 26 26 ASN N N 26 112.300 112.300 116.276 -3.976 18156 8765 1 18 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.531 0.069 18156 8766 1 18 . 1 1 26 26 ASN C C 26 174.500 174.500 175.218 -0.718 18156 8767 1 18 . 1 1 26 26 ASN CA C 26 53.600 53.600 55.081 -1.482 18156 8768 1 18 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.681 0.118 18156 8769 1 18 . 1 1 26 26 ASN H H 26 8.490 8.490 8.020 0.470 18156 8770 1 18 . 1 1 27 27 TYR N N 27 113.700 113.700 117.223 -3.523 18156 8771 1 18 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.622 0.208 18156 8772 1 18 . 1 1 27 27 TYR C C 27 176.500 176.500 176.944 -0.444 18156 8773 1 18 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.973 -1.773 18156 8774 1 18 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.106 0.194 18156 8775 1 18 . 1 1 27 27 TYR H H 27 7.000 7.000 7.358 -0.358 18156 8776 1 18 . 1 1 28 28 LEU N N 28 122.700 122.700 121.174 1.526 18156 8777 1 18 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.836 -0.006 18156 8778 1 18 . 1 1 28 28 LEU C C 28 179.700 179.700 178.944 0.756 18156 8779 1 18 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.717 0.583 18156 8780 1 18 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.217 0.183 18156 8781 1 18 . 1 1 28 28 LEU H H 28 8.180 8.180 8.154 0.026 18156 8782 1 18 . 1 1 29 29 SER N N 29 109.300 109.300 115.145 -5.845 18156 8783 1 18 . 1 1 29 29 SER HA H 29 4.120 4.120 4.234 -0.114 18156 8784 1 18 . 1 1 29 29 SER C C 29 174.000 174.000 175.225 -1.225 18156 8785 1 18 . 1 1 29 29 SER CA C 29 60.300 60.300 60.885 -0.585 18156 8786 1 18 . 1 1 29 29 SER CB C 29 63.100 63.100 62.856 0.244 18156 8787 1 18 . 1 1 29 29 SER H H 29 7.940 7.940 8.063 -0.123 18156 8788 1 18 . 1 1 30 30 LYS N N 30 117.200 117.200 118.788 -1.588 18156 8789 1 18 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.392 0.068 18156 8790 1 18 . 1 1 30 30 LYS C C 30 177.200 177.200 176.576 0.624 18156 8791 1 18 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.625 -0.825 18156 8792 1 18 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.597 0.403 18156 8793 1 18 . 1 1 30 30 LYS H H 30 6.680 6.680 7.216 -0.536 18156 8794 1 18 . 1 1 31 31 GLY N N 31 107.100 107.100 107.881 -0.781 18156 8795 1 18 . 1 1 31 31 GLY C C 31 175.700 175.700 175.350 0.350 18156 8796 1 18 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.269 1.131 18156 8797 1 18 . 1 1 31 31 GLY H H 31 7.660 7.660 7.694 -0.034 18156 8798 1 18 . 1 1 32 32 VAL N N 32 107.300 107.300 110.774 -3.474 18156 8799 1 18 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.469 0.161 18156 8800 1 18 . 1 1 32 32 VAL C C 32 174.800 174.800 175.804 -1.004 18156 8801 1 18 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.827 -1.027 18156 8802 1 18 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.484 -0.384 18156 8803 1 18 . 1 1 32 32 VAL H H 32 6.910 6.910 7.502 -0.592 18156 8804 1 18 . 1 1 33 33 VAL N N 33 122.000 122.000 120.473 1.527 18156 8805 1 18 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.645 -0.645 18156 8806 1 18 . 1 1 33 33 VAL C C 33 174.500 174.500 175.442 -0.942 18156 8807 1 18 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.410 1.890 18156 8808 1 18 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.198 -0.098 18156 8809 1 18 . 1 1 33 33 VAL H H 33 8.180 8.180 7.596 0.584 18156 8810 1 18 . 1 1 34 34 ASP N N 34 128.200 128.200 126.008 2.192 18156 8811 1 18 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.633 0.127 18156 8812 1 18 . 1 1 34 34 ASP C C 34 175.400 175.400 175.389 0.011 18156 8813 1 18 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.207 -0.907 18156 8814 1 18 . 1 1 34 34 ASP CB C 34 43.600 43.600 43.108 0.491 18156 8815 1 18 . 1 1 34 34 ASP H H 34 9.150 9.150 8.850 0.300 18156 8816 1 18 . 1 1 35 35 ARG N N 35 112.200 112.200 113.106 -0.906 18156 8817 1 18 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.751 -0.131 18156 8818 1 18 . 1 1 35 35 ARG C C 35 172.900 172.900 173.850 -0.950 18156 8819 1 18 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.913 0.387 18156 8820 1 18 . 1 1 35 35 ARG CB C 35 33.100 33.100 32.929 0.171 18156 8821 1 18 . 1 1 35 35 ARG H H 35 7.440 7.440 7.316 0.124 18156 8822 1 18 . 1 1 36 36 LEU N N 36 120.400 120.400 122.383 -1.983 18156 8823 1 18 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.273 -0.253 18156 8824 1 18 . 1 1 36 36 LEU C C 36 174.800 174.800 175.781 -0.981 18156 8825 1 18 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.442 -0.442 18156 8826 1 18 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.884 0.016 18156 8827 1 18 . 1 1 36 36 LEU H H 36 8.410 8.410 8.772 -0.362 18156 8828 1 18 . 1 1 37 37 GLU N N 37 120.800 120.800 125.342 -4.542 18156 8829 1 18 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.265 0.665 18156 8830 1 18 . 1 1 37 37 GLU C C 37 174.400 174.400 175.767 -1.367 18156 8831 1 18 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.346 -2.046 18156 8832 1 18 . 1 1 37 37 GLU CB C 37 31.700 31.700 29.650 2.050 18156 8833 1 18 . 1 1 37 37 GLU H H 37 8.470 8.470 8.376 0.094 18156 8834 1 18 . 1 1 38 38 VAL N N 38 125.600 125.600 128.150 -2.550 18156 8835 1 18 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.945 0.065 18156 8836 1 18 . 1 1 38 38 VAL C C 38 175.500 175.500 174.866 0.634 18156 8837 1 18 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.800 -0.400 18156 8838 1 18 . 1 1 38 38 VAL CB C 38 30.800 30.800 31.095 -0.295 18156 8839 1 18 . 1 1 38 38 VAL H H 38 9.130 9.130 8.520 0.610 18156 8840 1 18 . 1 1 39 39 VAL N N 39 131.700 131.700 128.528 3.172 18156 8841 1 18 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.825 0.355 18156 8842 1 18 . 1 1 39 39 VAL C C 39 175.600 175.600 175.988 -0.388 18156 8843 1 18 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.751 -0.051 18156 8844 1 18 . 1 1 39 39 VAL CB C 39 30.800 30.800 29.924 0.876 18156 8845 1 18 . 1 1 39 39 VAL H H 39 9.040 9.040 7.666 1.374 18156 8846 1 18 . 1 1 40 40 ASN N N 40 125.000 125.000 124.980 0.020 18156 8847 1 18 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.255 0.205 18156 8848 1 18 . 1 1 40 40 ASN C C 40 173.300 173.300 174.737 -1.437 18156 8849 1 18 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.715 -0.615 18156 8850 1 18 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.577 0.423 18156 8851 1 18 . 1 1 40 40 ASN H H 40 9.060 9.060 9.018 0.042 18156 8852 1 18 . 1 1 41 41 LYS N N 41 109.900 109.900 111.654 -1.754 18156 8853 1 18 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.795 -0.555 18156 8854 1 18 . 1 1 41 41 LYS C C 41 175.000 175.000 175.783 -0.783 18156 8855 1 18 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.151 0.149 18156 8856 1 18 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.145 -0.545 18156 8857 1 18 . 1 1 41 41 LYS H H 41 9.250 9.250 7.747 1.503 18156 8858 1 18 . 1 1 42 42 ARG N N 42 115.800 115.800 117.862 -2.062 18156 8859 1 18 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.296 0.414 18156 8860 1 18 . 1 1 42 42 ARG C C 42 174.900 174.900 176.028 -1.128 18156 8861 1 18 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.483 -1.283 18156 8862 1 18 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.431 1.769 18156 8863 1 18 . 1 1 42 42 ARG H H 42 8.110 8.110 7.616 0.494 18156 8864 1 18 . 1 1 43 43 PHE N N 43 115.100 115.100 111.989 3.111 18156 8865 1 18 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.162 -0.002 18156 8866 1 18 . 1 1 43 43 PHE C C 43 171.200 171.200 172.825 -1.625 18156 8867 1 18 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.928 -0.228 18156 8868 1 18 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.652 -0.552 18156 8869 1 18 . 1 1 43 43 PHE H H 43 7.610 7.610 7.369 0.241 18156 8870 1 18 . 1 1 44 44 VAL N N 44 121.200 121.200 118.109 3.091 18156 8871 1 18 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.229 0.361 18156 8872 1 18 . 1 1 44 44 VAL C C 44 174.600 174.600 174.415 0.185 18156 8873 1 18 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.382 -0.582 18156 8874 1 18 . 1 1 44 44 VAL CB C 44 32.900 32.900 34.643 -1.743 18156 8875 1 18 . 1 1 44 44 VAL H H 44 9.030 9.030 8.465 0.565 18156 8876 1 18 . 1 1 45 45 ARG N N 45 125.000 125.000 127.655 -2.655 18156 8877 1 18 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.679 0.281 18156 8878 1 18 . 1 1 45 45 ARG C C 45 175.400 175.400 175.420 -0.020 18156 8879 1 18 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.749 0.251 18156 8880 1 18 . 1 1 45 45 ARG CB C 45 33.200 33.200 31.224 1.976 18156 8881 1 18 . 1 1 45 45 ARG H H 45 9.320 9.320 8.470 0.850 18156 8882 1 18 . 1 1 46 46 VAL N N 46 127.200 127.200 129.972 -2.772 18156 8883 1 18 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.045 0.065 18156 8884 1 18 . 1 1 46 46 VAL C C 46 174.700 174.700 174.784 -0.084 18156 8885 1 18 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.630 -0.430 18156 8886 1 18 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.409 1.691 18156 8887 1 18 . 1 1 46 46 VAL H H 46 8.770 8.770 8.861 -0.091 18156 8888 1 18 . 1 1 47 47 THR N N 47 120.800 120.800 124.600 -3.800 18156 8889 1 18 . 1 1 47 47 THR HA H 47 4.700 4.700 4.497 0.203 18156 8890 1 18 . 1 1 47 47 THR C C 47 174.500 174.500 173.713 0.787 18156 8891 1 18 . 1 1 47 47 THR CA C 47 61.300 61.300 62.062 -0.762 18156 8892 1 18 . 1 1 47 47 THR CB C 47 69.800 69.800 70.131 -0.331 18156 8893 1 18 . 1 1 47 47 THR H H 47 8.110 8.110 8.240 -0.130 18156 8894 1 18 . 1 1 48 48 PHE N N 48 125.700 125.700 124.314 1.386 18156 8895 1 18 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.489 -0.139 18156 8896 1 18 . 1 1 48 48 PHE C C 48 176.000 176.000 177.059 -1.059 18156 8897 1 18 . 1 1 48 48 PHE CA C 48 57.300 57.300 56.542 0.758 18156 8898 1 18 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.150 1.250 18156 8899 1 18 . 1 1 48 48 PHE H H 48 9.000 9.000 8.680 0.320 18156 8900 1 18 . 1 1 49 49 THR N N 49 118.900 118.900 115.376 3.524 18156 8901 1 18 . 1 1 49 49 THR HA H 49 4.330 4.330 4.690 -0.360 18156 8902 1 18 . 1 1 49 49 THR CA C 49 61.200 61.200 60.855 0.346 18156 8903 1 18 . 1 1 49 49 THR CB C 49 69.400 69.400 68.487 0.913 18156 8904 1 18 . 1 1 49 49 THR H H 49 8.620 8.620 8.746 -0.126 18156 8905 1 18 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.255 0.105 18156 8906 1 18 . 1 1 50 50 PRO C C 50 177.700 177.700 177.089 0.611 18156 8907 1 18 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.029 0.471 18156 8908 1 18 . 1 1 50 50 PRO CB C 50 31.800 31.800 30.535 1.264 18156 8909 1 18 . 1 1 51 51 GLY N N 51 111.300 111.300 112.253 -0.953 18156 8910 1 18 . 1 1 51 51 GLY C C 51 175.200 175.200 175.029 0.171 18156 8911 1 18 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.260 0.140 18156 8912 1 18 . 1 1 51 51 GLY H H 51 8.880 8.880 8.292 0.588 18156 8913 1 18 . 1 1 52 52 LYS N N 52 118.900 118.900 121.019 -2.119 18156 8914 1 18 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.598 -0.028 18156 8915 1 18 . 1 1 52 52 LYS C C 52 175.800 175.800 176.444 -0.644 18156 8916 1 18 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.505 -0.705 18156 8917 1 18 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.507 -0.907 18156 8918 1 18 . 1 1 52 52 LYS H H 52 8.110 8.110 8.110 -0.000 18156 8919 1 18 . 1 1 53 53 THR N N 53 114.700 114.700 119.082 -4.382 18156 8920 1 18 . 1 1 53 53 THR HA H 53 4.180 4.180 4.293 -0.113 18156 8921 1 18 . 1 1 53 53 THR CA C 53 60.400 60.400 61.764 -1.364 18156 8922 1 18 . 1 1 53 53 THR CB C 53 69.100 69.100 68.518 0.582 18156 8923 1 18 . 1 1 53 53 THR H H 53 7.700 7.700 7.548 0.152 18156 8924 1 18 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.376 0.034 18156 8925 1 18 . 1 1 54 54 PRO C C 54 177.500 177.500 176.473 1.027 18156 8926 1 18 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.236 0.964 18156 8927 1 18 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.179 0.121 18156 8928 1 18 . 1 1 55 55 VAL N N 55 119.300 119.300 117.711 1.589 18156 8929 1 18 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.766 0.234 18156 8930 1 18 . 1 1 55 55 VAL C C 55 176.000 176.000 176.595 -0.595 18156 8931 1 18 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.316 -1.016 18156 8932 1 18 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.625 0.775 18156 8933 1 18 . 1 1 55 55 VAL H H 55 8.190 8.190 8.151 0.039 18156 8934 1 18 . 1 1 56 56 ASP N N 56 120.300 120.300 121.727 -1.427 18156 8935 1 18 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.704 -0.134 18156 8936 1 18 . 1 1 56 56 ASP C C 56 177.000 177.000 176.396 0.604 18156 8937 1 18 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.129 0.171 18156 8938 1 18 . 1 1 56 56 ASP CB C 56 40.700 40.700 39.441 1.260 18156 8939 1 18 . 1 1 56 56 ASP H H 56 8.170 8.170 8.273 -0.103 18156 8940 1 18 . 1 1 57 57 GLY N N 57 108.300 108.300 110.838 -2.538 18156 8941 1 18 . 1 1 57 57 GLY C C 57 173.700 173.700 173.727 -0.027 18156 8942 1 18 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.853 0.947 18156 8943 1 18 . 1 1 57 57 GLY H H 57 8.110 8.110 8.357 -0.247 18156 8944 1 18 . 1 1 58 58 GLN N N 58 118.900 118.900 121.031 -2.131 18156 8945 1 18 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.585 -0.085 18156 8946 1 18 . 1 1 58 58 GLN C C 58 175.700 175.700 175.188 0.512 18156 8947 1 18 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.401 1.799 18156 8948 1 18 . 1 1 58 58 GLN CB C 58 30.200 30.200 31.056 -0.856 18156 8949 1 18 . 1 1 58 58 GLN H H 58 8.070 8.070 7.762 0.308 18156 8950 1 18 . 1 1 59 59 TYR N N 59 118.800 118.800 121.722 -2.922 18156 8951 1 18 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.806 0.324 18156 8952 1 18 . 1 1 59 59 TYR C C 59 177.500 177.500 174.825 2.675 18156 8953 1 18 . 1 1 59 59 TYR CA C 59 56.700 56.700 57.948 -1.248 18156 8954 1 18 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.094 0.206 18156 8955 1 18 . 1 1 59 59 TYR H H 59 8.110 8.110 8.718 -0.608 18156 8956 1 18 . 1 1 60 60 VAL N N 60 115.600 115.600 113.660 1.940 18156 8957 1 18 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.310 0.190 18156 8958 1 18 . 1 1 60 60 VAL C C 60 174.700 174.700 175.379 -0.679 18156 8959 1 18 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.669 0.331 18156 8960 1 18 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.975 0.025 18156 8961 1 18 . 1 1 60 60 VAL H H 60 8.250 8.250 7.994 0.256 18156 8962 1 18 . 1 1 61 61 TRP N N 61 120.800 120.800 118.882 1.918 18156 8963 1 18 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.515 0.405 18156 8964 1 18 . 1 1 61 61 TRP C C 61 172.700 172.700 173.444 -0.744 18156 8965 1 18 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.588 -0.588 18156 8966 1 18 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.483 0.417 18156 8967 1 18 . 1 1 61 61 TRP H H 61 8.500 8.500 8.533 -0.033 18156 8968 1 18 . 1 1 62 62 PHE N N 62 112.100 112.100 114.746 -2.646 18156 8969 1 18 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.901 0.139 18156 8970 1 18 . 1 1 62 62 PHE C C 62 174.800 174.800 173.760 1.040 18156 8971 1 18 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.205 -0.805 18156 8972 1 18 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.428 0.472 18156 8973 1 18 . 1 1 62 62 PHE H H 62 8.700 8.700 8.252 0.448 18156 8974 1 18 . 1 1 63 63 ASN N N 63 120.800 120.800 121.336 -0.536 18156 8975 1 18 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.060 0.100 18156 8976 1 18 . 1 1 63 63 ASN C C 63 175.800 175.800 175.276 0.524 18156 8977 1 18 . 1 1 63 63 ASN CA C 63 54.100 54.100 54.140 -0.040 18156 8978 1 18 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.392 1.208 18156 8979 1 18 . 1 1 63 63 ASN H H 63 9.340 9.340 8.941 0.399 18156 8980 1 18 . 1 1 64 64 ILE N N 64 113.400 113.400 119.205 -5.805 18156 8981 1 18 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.509 0.141 18156 8982 1 18 . 1 1 64 64 ILE C C 64 175.300 175.300 177.547 -2.247 18156 8983 1 18 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.655 -1.555 18156 8984 1 18 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.120 2.980 18156 8985 1 18 . 1 1 64 64 ILE H H 64 7.820 7.820 8.103 -0.283 18156 8986 1 18 . 1 1 65 65 GLY N N 65 110.700 110.700 109.516 1.184 18156 8987 1 18 . 1 1 65 65 GLY C C 65 174.300 174.300 175.226 -0.926 18156 8988 1 18 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.589 -0.789 18156 8989 1 18 . 1 1 65 65 GLY H H 65 8.570 8.570 8.308 0.262 18156 8990 1 18 . 1 1 66 66 SER N N 66 113.800 113.800 120.608 -6.808 18156 8991 1 18 . 1 1 66 66 SER HA H 66 4.730 4.730 4.619 0.111 18156 8992 1 18 . 1 1 66 66 SER C C 66 175.500 175.500 175.053 0.447 18156 8993 1 18 . 1 1 66 66 SER CA C 66 56.800 56.800 57.738 -0.938 18156 8994 1 18 . 1 1 66 66 SER CB C 66 64.500 64.500 62.214 2.286 18156 8995 1 18 . 1 1 66 66 SER H H 66 7.680 7.680 7.982 -0.302 18156 8996 1 18 . 1 1 67 67 VAL N N 67 127.000 127.000 124.264 2.736 18156 8997 1 18 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.821 -0.001 18156 8998 1 18 . 1 1 67 67 VAL C C 67 176.700 176.700 177.002 -0.302 18156 8999 1 18 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.161 0.439 18156 9000 1 18 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.287 0.413 18156 9001 1 18 . 1 1 67 67 VAL H H 67 9.150 9.150 7.947 1.203 18156 9002 1 18 . 1 1 68 68 ASP N N 68 118.800 118.800 118.203 0.597 18156 9003 1 18 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.392 0.058 18156 9004 1 18 . 1 1 68 68 ASP C C 68 178.700 178.700 177.923 0.777 18156 9005 1 18 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.583 -0.283 18156 9006 1 18 . 1 1 68 68 ASP CB C 68 40.700 40.700 39.269 1.431 18156 9007 1 18 . 1 1 68 68 ASP H H 68 8.320 8.320 8.752 -0.432 18156 9008 1 18 . 1 1 69 69 THR N N 69 114.500 114.500 115.752 -1.252 18156 9009 1 18 . 1 1 69 69 THR HA H 69 3.910 3.910 4.079 -0.169 18156 9010 1 18 . 1 1 69 69 THR C C 69 175.500 175.500 176.282 -0.782 18156 9011 1 18 . 1 1 69 69 THR CA C 69 65.600 65.600 65.958 -0.358 18156 9012 1 18 . 1 1 69 69 THR CB C 69 68.900 68.900 68.254 0.646 18156 9013 1 18 . 1 1 69 69 THR H H 69 7.710 7.710 8.014 -0.304 18156 9014 1 18 . 1 1 70 70 PHE N N 70 122.800 122.800 122.446 0.354 18156 9015 1 18 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.764 0.556 18156 9016 1 18 . 1 1 70 70 PHE C C 70 176.000 176.000 176.898 -0.898 18156 9017 1 18 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.252 -0.752 18156 9018 1 18 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.791 0.309 18156 9019 1 18 . 1 1 70 70 PHE H H 70 7.680 7.680 8.106 -0.426 18156 9020 1 18 . 1 1 71 71 GLU N N 71 118.400 118.400 118.788 -0.388 18156 9021 1 18 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.450 -0.080 18156 9022 1 18 . 1 1 71 71 GLU C C 71 179.900 179.900 178.968 0.932 18156 9023 1 18 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.741 0.459 18156 9024 1 18 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.416 -0.216 18156 9025 1 18 . 1 1 71 71 GLU H H 71 8.660 8.660 8.099 0.561 18156 9026 1 18 . 1 1 72 72 ARG N N 72 119.500 119.500 118.605 0.895 18156 9027 1 18 . 1 1 72 72 ARG HA H 72 4.160 4.160 3.922 0.238 18156 9028 1 18 . 1 1 72 72 ARG C C 72 179.200 179.200 178.714 0.486 18156 9029 1 18 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.952 -0.852 18156 9030 1 18 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.108 -0.008 18156 9031 1 18 . 1 1 72 72 ARG H H 72 7.960 7.960 8.134 -0.174 18156 9032 1 18 . 1 1 73 73 ASN N N 73 119.900 119.900 118.333 1.567 18156 9033 1 18 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.457 0.053 18156 9034 1 18 . 1 1 73 73 ASN C C 73 178.100 178.100 177.374 0.726 18156 9035 1 18 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.870 -0.370 18156 9036 1 18 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.859 -0.459 18156 9037 1 18 . 1 1 73 73 ASN H H 73 8.610 8.610 8.041 0.569 18156 9038 1 18 . 1 1 74 74 LEU N N 74 121.900 121.900 121.981 -0.081 18156 9039 1 18 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.344 -0.094 18156 9040 1 18 . 1 1 74 74 LEU C C 74 179.100 179.100 178.682 0.418 18156 9041 1 18 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.330 -0.030 18156 9042 1 18 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.819 -0.019 18156 9043 1 18 . 1 1 74 74 LEU H H 74 8.720 8.720 8.070 0.650 18156 9044 1 18 . 1 1 75 75 GLU N N 75 120.700 120.700 118.479 2.221 18156 9045 1 18 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.988 0.122 18156 9046 1 18 . 1 1 75 75 GLU C C 75 178.900 178.900 179.291 -0.391 18156 9047 1 18 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.522 0.378 18156 9048 1 18 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.109 0.191 18156 9049 1 18 . 1 1 75 75 GLU H H 75 8.070 8.070 8.428 -0.358 18156 9050 1 18 . 1 1 76 76 THR N N 76 115.700 115.700 116.809 -1.109 18156 9051 1 18 . 1 1 76 76 THR HA H 76 4.000 4.000 4.082 -0.082 18156 9052 1 18 . 1 1 76 76 THR C C 76 176.600 176.600 176.859 -0.259 18156 9053 1 18 . 1 1 76 76 THR CA C 76 66.500 66.500 66.084 0.416 18156 9054 1 18 . 1 1 76 76 THR CB C 76 69.000 69.000 68.725 0.275 18156 9055 1 18 . 1 1 76 76 THR H H 76 8.400 8.400 7.725 0.675 18156 9056 1 18 . 1 1 77 77 LEU N N 77 122.200 122.200 122.829 -0.629 18156 9057 1 18 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.078 0.182 18156 9058 1 18 . 1 1 77 77 LEU C C 77 179.200 179.200 178.281 0.919 18156 9059 1 18 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.132 -0.832 18156 9060 1 18 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.742 0.158 18156 9061 1 18 . 1 1 77 77 LEU H H 77 8.330 8.330 8.388 -0.058 18156 9062 1 18 . 1 1 78 78 GLN N N 78 115.700 115.700 117.558 -1.858 18156 9063 1 18 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.961 -0.081 18156 9064 1 18 . 1 1 78 78 GLN C C 78 177.600 177.600 178.683 -1.083 18156 9065 1 18 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.038 2.262 18156 9066 1 18 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.442 0.958 18156 9067 1 18 . 1 1 78 78 GLN H H 78 8.200 8.200 8.314 -0.114 18156 9068 1 18 . 1 1 79 79 GLN N N 79 118.400 118.400 118.692 -0.292 18156 9069 1 18 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.025 0.115 18156 9070 1 18 . 1 1 79 79 GLN C C 79 180.000 180.000 178.346 1.654 18156 9071 1 18 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.477 0.723 18156 9072 1 18 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.479 -0.279 18156 9073 1 18 . 1 1 79 79 GLN H H 79 7.980 7.980 7.906 0.074 18156 9074 1 18 . 1 1 80 80 GLU N N 80 121.700 121.700 118.756 2.944 18156 9075 1 18 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.143 -0.093 18156 9076 1 18 . 1 1 80 80 GLU C C 80 178.800 178.800 178.694 0.106 18156 9077 1 18 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.535 0.765 18156 9078 1 18 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.249 0.351 18156 9079 1 18 . 1 1 80 80 GLU H H 80 8.400 8.400 7.858 0.542 18156 9080 1 18 . 1 1 81 81 LEU N N 81 117.200 117.200 117.710 -0.510 18156 9081 1 18 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.263 0.037 18156 9082 1 18 . 1 1 81 81 LEU C C 81 177.400 177.400 177.427 -0.027 18156 9083 1 18 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.100 0.000 18156 9084 1 18 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.259 0.541 18156 9085 1 18 . 1 1 81 81 LEU H H 81 8.120 8.120 7.894 0.226 18156 9086 1 18 . 1 1 82 82 GLY N N 82 108.900 108.900 107.045 1.855 18156 9087 1 18 . 1 1 82 82 GLY C C 82 174.600 174.600 175.029 -0.429 18156 9088 1 18 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.103 1.197 18156 9089 1 18 . 1 1 82 82 GLY H H 82 7.840 7.840 7.367 0.473 18156 9090 1 18 . 1 1 83 83 ILE N N 83 121.900 121.900 122.256 -0.356 18156 9091 1 18 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.869 0.131 18156 9092 1 18 . 1 1 83 83 ILE C C 83 175.300 175.300 175.693 -0.393 18156 9093 1 18 . 1 1 83 83 ILE CA C 83 61.500 61.500 60.797 0.703 18156 9094 1 18 . 1 1 83 83 ILE CB C 83 37.800 37.800 36.105 1.695 18156 9095 1 18 . 1 1 83 83 ILE H H 83 8.250 8.250 7.984 0.266 18156 9096 1 18 . 1 1 84 84 GLU N N 84 126.600 126.600 127.957 -1.357 18156 9097 1 18 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.265 0.235 18156 9098 1 18 . 1 1 84 84 GLU C C 84 177.400 177.400 178.131 -0.731 18156 9099 1 18 . 1 1 84 84 GLU CA C 84 55.300 55.300 56.253 -0.953 18156 9100 1 18 . 1 1 84 84 GLU CB C 84 32.600 32.600 30.976 1.624 18156 9101 1 18 . 1 1 84 84 GLU H H 84 8.760 8.760 8.062 0.698 18156 9102 1 18 . 1 1 85 85 GLY N N 85 109.400 109.400 109.421 -0.021 18156 9103 1 18 . 1 1 85 85 GLY C C 85 176.600 176.600 175.451 1.149 18156 9104 1 18 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.724 0.676 18156 9105 1 18 . 1 1 85 85 GLY H H 85 8.870 8.870 8.554 0.316 18156 9106 1 18 . 1 1 86 86 GLU N N 86 123.900 123.900 120.028 3.872 18156 9107 1 18 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.172 0.078 18156 9108 1 18 . 1 1 86 86 GLU C C 86 176.200 176.200 177.545 -1.345 18156 9109 1 18 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.329 -0.529 18156 9110 1 18 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.783 -0.683 18156 9111 1 18 . 1 1 86 86 GLU H H 86 9.240 9.240 8.351 0.889 18156 9112 1 18 . 1 1 87 87 ASN N N 87 115.900 115.900 115.865 0.035 18156 9113 1 18 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.700 0.130 18156 9114 1 18 . 1 1 87 87 ASN C C 87 174.600 174.600 175.855 -1.255 18156 9115 1 18 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.962 -0.762 18156 9116 1 18 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.178 0.222 18156 9117 1 18 . 1 1 87 87 ASN H H 87 8.050 8.050 7.685 0.365 18156 9118 1 18 . 1 1 88 88 ARG N N 88 119.300 119.300 120.146 -0.846 18156 9119 1 18 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.212 -0.162 18156 9120 1 18 . 1 1 88 88 ARG C C 88 176.600 176.600 176.297 0.303 18156 9121 1 18 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.610 -0.010 18156 9122 1 18 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.052 0.548 18156 9123 1 18 . 1 1 88 88 ARG H H 88 7.230 7.230 7.657 -0.427 18156 9124 1 18 . 1 1 89 89 VAL N N 89 124.700 124.700 127.691 -2.991 18156 9125 1 18 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.050 0.240 18156 9126 1 18 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.748 -0.749 18156 9127 1 18 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.987 1.113 18156 9128 1 18 . 1 1 89 89 VAL H H 89 8.780 8.780 7.993 0.787 18156 9129 1 18 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.431 0.080 18156 9130 1 18 . 1 1 90 90 PRO C C 90 175.100 175.100 175.831 -0.731 18156 9131 1 18 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.419 -0.319 18156 9132 1 18 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.384 0.216 18156 9133 1 18 . 1 1 91 91 VAL N N 91 121.600 121.600 123.070 -1.470 18156 9134 1 18 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.323 0.487 18156 9135 1 18 . 1 1 91 91 VAL C C 91 176.100 176.100 175.773 0.327 18156 9136 1 18 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.641 -0.341 18156 9137 1 18 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.614 1.586 18156 9138 1 18 . 1 1 91 91 VAL H H 91 8.030 8.030 8.229 -0.199 18156 9139 1 18 . 1 1 92 92 VAL N N 92 124.800 124.800 127.874 -3.074 18156 9140 1 18 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.288 0.252 18156 9141 1 18 . 1 1 92 92 VAL C C 92 173.600 173.600 174.657 -1.057 18156 9142 1 18 . 1 1 92 92 VAL CA C 92 59.700 59.700 60.900 -1.200 18156 9143 1 18 . 1 1 92 92 VAL CB C 92 34.900 34.900 34.093 0.807 18156 9144 1 18 . 1 1 92 92 VAL H H 92 8.640 8.640 8.554 0.086 18156 9145 1 18 . 1 1 93 93 TYR N N 93 124.700 124.700 123.249 1.451 18156 9146 1 18 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.805 0.125 18156 9147 1 18 . 1 1 93 93 TYR C C 93 175.700 175.700 175.532 0.168 18156 9148 1 18 . 1 1 93 93 TYR CA C 93 57.400 57.400 57.303 0.097 18156 9149 1 18 . 1 1 93 93 TYR CB C 93 38.500 38.500 40.511 -2.011 18156 9150 1 18 . 1 1 93 93 TYR H H 93 8.800 8.800 8.433 0.367 18156 9151 1 18 . 1 1 94 94 ILE N N 94 123.100 123.100 125.241 -2.141 18156 9152 1 18 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.380 0.130 18156 9153 1 18 . 1 1 94 94 ILE C C 94 173.700 173.700 174.541 -0.841 18156 9154 1 18 . 1 1 94 94 ILE CA C 94 59.200 59.200 59.574 -0.374 18156 9155 1 18 . 1 1 94 94 ILE CB C 94 41.500 41.500 41.231 0.269 18156 9156 1 18 . 1 1 94 94 ILE H H 94 9.000 9.000 8.627 0.373 18156 9157 1 18 . 1 1 95 95 ALA N N 95 128.000 128.000 129.210 -1.210 18156 9158 1 18 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.933 0.057 18156 9159 1 18 . 1 1 95 95 ALA C C 95 177.000 177.000 176.252 0.748 18156 9160 1 18 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.731 -0.231 18156 9161 1 18 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.963 0.437 18156 9162 1 18 . 1 1 95 95 ALA H H 95 8.450 8.450 8.438 0.012 18156 9163 1 18 . 1 1 96 96 GLU N N 96 122.200 122.200 124.284 -2.084 18156 9164 1 18 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.633 -0.113 18156 9165 1 18 . 1 1 96 96 GLU C C 96 176.000 176.000 176.060 -0.060 18156 9166 1 18 . 1 1 96 96 GLU CA C 96 55.500 55.500 54.141 1.359 18156 9167 1 18 . 1 1 96 96 GLU CB C 96 32.800 32.800 32.468 0.332 18156 9168 1 18 . 1 1 96 96 GLU H H 96 8.850 8.850 8.460 0.390 18156 9169 1 18 . 1 1 97 97 SER N N 97 118.600 118.600 121.433 -2.833 18156 9170 1 18 . 1 1 97 97 SER HA H 97 4.430 4.430 4.316 0.114 18156 9171 1 18 . 1 1 97 97 SER C C 97 174.200 174.200 174.501 -0.301 18156 9172 1 18 . 1 1 97 97 SER CA C 97 58.500 58.500 59.430 -0.930 18156 9173 1 18 . 1 1 97 97 SER CB C 97 63.800 63.800 63.249 0.551 18156 9174 1 18 . 1 1 97 97 SER H H 97 8.650 8.650 8.714 -0.064 18156 9175 1 18 . 1 1 98 98 ASP N N 98 123.200 123.200 119.942 3.258 18156 9176 1 18 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.410 0.260 18156 9177 1 18 . 1 1 98 98 ASP C C 98 175.500 175.500 176.339 -0.839 18156 9178 1 18 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.745 -0.345 18156 9179 1 18 . 1 1 98 98 ASP CB C 98 41.400 41.400 40.073 1.327 18156 9180 1 18 . 1 1 98 98 ASP H H 98 8.500 8.500 8.677 -0.177 18156 9181 1 19 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.457 -1.957 18156 9182 1 19 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.779 -0.189 18156 9183 1 19 . 1 1 10 10 HIS C C 10 175.500 175.500 175.798 -0.298 18156 9184 1 19 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.386 1.114 18156 9185 1 19 . 1 1 10 10 HIS CB C 10 30.200 30.200 30.450 -0.250 18156 9186 1 19 . 1 1 11 11 MET N N 11 120.900 120.900 119.142 1.758 18156 9187 1 19 . 1 1 11 11 MET HA H 11 4.290 4.290 3.993 0.297 18156 9188 1 19 . 1 1 11 11 MET C C 11 176.300 176.300 174.714 1.586 18156 9189 1 19 . 1 1 11 11 MET CA C 11 55.900 55.900 58.515 -2.615 18156 9190 1 19 . 1 1 11 11 MET CB C 11 32.700 32.700 31.343 1.357 18156 9191 1 19 . 1 1 11 11 MET H H 11 8.210 8.210 7.884 0.326 18156 9192 1 19 . 1 1 12 12 LYS N N 12 122.100 122.100 121.198 0.902 18156 9193 1 19 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.276 -0.146 18156 9194 1 19 . 1 1 12 12 LYS C C 12 176.700 176.700 176.190 0.510 18156 9195 1 19 . 1 1 12 12 LYS CA C 12 56.800 56.800 55.800 1.000 18156 9196 1 19 . 1 1 12 12 LYS CB C 12 32.800 32.800 31.020 1.780 18156 9197 1 19 . 1 1 12 12 LYS H H 12 8.300 8.300 7.761 0.539 18156 9198 1 19 . 1 1 13 13 ARG N N 13 121.500 121.500 127.117 -5.617 18156 9199 1 19 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.267 0.003 18156 9200 1 19 . 1 1 13 13 ARG C C 13 176.200 176.200 175.834 0.366 18156 9201 1 19 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.125 0.075 18156 9202 1 19 . 1 1 13 13 ARG CB C 13 30.800 30.800 29.498 1.302 18156 9203 1 19 . 1 1 13 13 ARG H H 13 8.160 8.160 8.135 0.025 18156 9204 1 19 . 1 1 14 14 SER N N 14 116.700 116.700 118.169 -1.469 18156 9205 1 19 . 1 1 14 14 SER HA H 14 4.530 4.530 3.946 0.584 18156 9206 1 19 . 1 1 14 14 SER C C 14 173.600 173.600 173.947 -0.347 18156 9207 1 19 . 1 1 14 14 SER CA C 14 58.300 58.300 60.730 -2.430 18156 9208 1 19 . 1 1 14 14 SER CB C 14 64.100 64.100 62.170 1.929 18156 9209 1 19 . 1 1 14 14 SER H H 14 8.160 8.160 8.430 -0.270 18156 9210 1 19 . 1 1 15 15 GLY N N 15 109.300 109.300 108.738 0.562 18156 9211 1 19 . 1 1 15 15 GLY C C 15 173.000 173.000 173.784 -0.784 18156 9212 1 19 . 1 1 15 15 GLY CA C 15 44.700 44.700 44.675 0.025 18156 9213 1 19 . 1 1 15 15 GLY H H 15 8.100 8.100 7.916 0.184 18156 9214 1 19 . 1 1 16 16 ARG N N 16 122.300 122.300 121.432 0.868 18156 9215 1 19 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.601 -0.071 18156 9216 1 19 . 1 1 16 16 ARG C C 16 173.200 173.200 175.061 -1.861 18156 9217 1 19 . 1 1 16 16 ARG CA C 16 55.300 55.300 55.236 0.063 18156 9218 1 19 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.401 1.500 18156 9219 1 19 . 1 1 16 16 ARG H H 16 8.460 8.460 8.427 0.033 18156 9220 1 19 . 1 1 17 17 GLU N N 17 126.800 126.800 127.322 -0.522 18156 9221 1 19 . 1 1 17 17 GLU HA H 17 3.220 3.220 4.092 -0.872 18156 9222 1 19 . 1 1 17 17 GLU C C 17 177.000 177.000 176.189 0.811 18156 9223 1 19 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.764 -0.764 18156 9224 1 19 . 1 1 17 17 GLU CB C 17 30.100 30.100 30.091 0.009 18156 9225 1 19 . 1 1 17 17 GLU H H 17 8.190 8.190 8.564 -0.374 18156 9226 1 19 . 1 1 18 18 ILE N N 18 122.600 122.600 122.244 0.356 18156 9227 1 19 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.753 0.207 18156 9228 1 19 . 1 1 18 18 ILE C C 18 174.600 174.600 174.768 -0.168 18156 9229 1 19 . 1 1 18 18 ILE CA C 18 59.200 59.200 58.761 0.439 18156 9230 1 19 . 1 1 18 18 ILE CB C 18 41.900 41.900 41.333 0.568 18156 9231 1 19 . 1 1 18 18 ILE H H 18 8.870 8.870 8.616 0.254 18156 9232 1 19 . 1 1 19 19 THR N N 19 108.700 108.700 109.279 -0.579 18156 9233 1 19 . 1 1 19 19 THR HA H 19 4.760 4.760 4.727 0.033 18156 9234 1 19 . 1 1 19 19 THR C C 19 175.400 175.400 175.485 -0.085 18156 9235 1 19 . 1 1 19 19 THR CA C 19 59.800 59.800 60.087 -0.287 18156 9236 1 19 . 1 1 19 19 THR CB C 19 72.100 72.100 71.809 0.291 18156 9237 1 19 . 1 1 19 19 THR H H 19 8.140 8.140 7.977 0.163 18156 9238 1 19 . 1 1 20 20 TRP N N 20 121.900 121.900 123.463 -1.563 18156 9239 1 19 . 1 1 20 20 TRP HA H 20 3.900 3.900 4.124 -0.224 18156 9240 1 19 . 1 1 20 20 TRP C C 20 176.600 176.600 177.277 -0.677 18156 9241 1 19 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.953 -0.953 18156 9242 1 19 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.780 -0.481 18156 9243 1 19 . 1 1 20 20 TRP H H 20 9.060 9.060 8.817 0.243 18156 9244 1 19 . 1 1 21 21 LYS N N 21 116.900 116.900 119.089 -2.189 18156 9245 1 19 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.860 -0.200 18156 9246 1 19 . 1 1 21 21 LYS C C 21 178.200 178.200 178.367 -0.167 18156 9247 1 19 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.995 -0.295 18156 9248 1 19 . 1 1 21 21 LYS CB C 21 32.200 32.200 32.105 0.095 18156 9249 1 19 . 1 1 21 21 LYS H H 21 8.320 8.320 8.267 0.053 18156 9250 1 19 . 1 1 22 22 ASP N N 22 119.000 119.000 119.146 -0.146 18156 9251 1 19 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.329 -0.059 18156 9252 1 19 . 1 1 22 22 ASP C C 22 178.500 178.500 178.718 -0.218 18156 9253 1 19 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.863 -0.863 18156 9254 1 19 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.669 0.631 18156 9255 1 19 . 1 1 22 22 ASP H H 22 7.670 7.670 7.588 0.082 18156 9256 1 19 . 1 1 23 23 PHE N N 23 120.000 120.000 121.809 -1.809 18156 9257 1 19 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.364 -0.114 18156 9258 1 19 . 1 1 23 23 PHE C C 23 177.500 177.500 176.636 0.864 18156 9259 1 19 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.950 -0.150 18156 9260 1 19 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.734 -1.135 18156 9261 1 19 . 1 1 23 23 PHE H H 23 8.430 8.430 8.121 0.309 18156 9262 1 19 . 1 1 24 24 VAL N N 24 120.700 120.700 118.425 2.275 18156 9263 1 19 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.832 -0.102 18156 9264 1 19 . 1 1 24 24 VAL C C 24 178.200 178.200 177.993 0.207 18156 9265 1 19 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.345 0.555 18156 9266 1 19 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.517 1.583 18156 9267 1 19 . 1 1 24 24 VAL H H 24 8.250 8.250 7.915 0.335 18156 9268 1 19 . 1 1 25 25 ASN N N 25 116.700 116.700 117.378 -0.678 18156 9269 1 19 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.414 -0.214 18156 9270 1 19 . 1 1 25 25 ASN C C 25 176.200 176.200 176.694 -0.494 18156 9271 1 19 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.439 0.561 18156 9272 1 19 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.177 0.523 18156 9273 1 19 . 1 1 25 25 ASN H H 25 8.260 8.260 7.837 0.423 18156 9274 1 19 . 1 1 26 26 ASN N N 26 112.300 112.300 115.418 -3.118 18156 9275 1 19 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.484 0.116 18156 9276 1 19 . 1 1 26 26 ASN C C 26 174.500 174.500 174.870 -0.370 18156 9277 1 19 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.670 -1.070 18156 9278 1 19 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.019 -0.219 18156 9279 1 19 . 1 1 26 26 ASN H H 26 8.490 8.490 7.684 0.806 18156 9280 1 19 . 1 1 27 27 TYR N N 27 113.700 113.700 116.977 -3.277 18156 9281 1 19 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.628 0.202 18156 9282 1 19 . 1 1 27 27 TYR C C 27 176.500 176.500 176.969 -0.469 18156 9283 1 19 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.063 -0.863 18156 9284 1 19 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.921 0.379 18156 9285 1 19 . 1 1 27 27 TYR H H 27 7.000 7.000 7.163 -0.163 18156 9286 1 19 . 1 1 28 28 LEU N N 28 122.700 122.700 121.894 0.806 18156 9287 1 19 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.778 0.052 18156 9288 1 19 . 1 1 28 28 LEU C C 28 179.700 179.700 178.707 0.993 18156 9289 1 19 . 1 1 28 28 LEU CA C 28 58.300 58.300 58.511 -0.211 18156 9290 1 19 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.721 -0.321 18156 9291 1 19 . 1 1 28 28 LEU H H 28 8.180 8.180 7.914 0.266 18156 9292 1 19 . 1 1 29 29 SER N N 29 109.300 109.300 114.045 -4.745 18156 9293 1 19 . 1 1 29 29 SER HA H 29 4.120 4.120 4.176 -0.056 18156 9294 1 19 . 1 1 29 29 SER C C 29 174.000 174.000 175.855 -1.855 18156 9295 1 19 . 1 1 29 29 SER CA C 29 60.300 60.300 60.615 -0.315 18156 9296 1 19 . 1 1 29 29 SER CB C 29 63.100 63.100 62.904 0.196 18156 9297 1 19 . 1 1 29 29 SER H H 29 7.940 7.940 8.251 -0.311 18156 9298 1 19 . 1 1 30 30 LYS N N 30 117.200 117.200 120.012 -2.812 18156 9299 1 19 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.368 0.092 18156 9300 1 19 . 1 1 30 30 LYS C C 30 177.200 177.200 176.411 0.789 18156 9301 1 19 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.705 -0.905 18156 9302 1 19 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.437 0.563 18156 9303 1 19 . 1 1 30 30 LYS H H 30 6.680 6.680 7.155 -0.475 18156 9304 1 19 . 1 1 31 31 GLY N N 31 107.100 107.100 107.450 -0.350 18156 9305 1 19 . 1 1 31 31 GLY C C 31 175.700 175.700 175.460 0.240 18156 9306 1 19 . 1 1 31 31 GLY CA C 31 47.400 47.400 45.850 1.550 18156 9307 1 19 . 1 1 31 31 GLY H H 31 7.660 7.660 7.655 0.005 18156 9308 1 19 . 1 1 32 32 VAL N N 32 107.300 107.300 112.441 -5.141 18156 9309 1 19 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.473 0.157 18156 9310 1 19 . 1 1 32 32 VAL C C 32 174.800 174.800 175.321 -0.521 18156 9311 1 19 . 1 1 32 32 VAL CA C 32 60.800 60.800 61.468 -0.668 18156 9312 1 19 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.409 -0.309 18156 9313 1 19 . 1 1 32 32 VAL H H 32 6.910 6.910 7.612 -0.702 18156 9314 1 19 . 1 1 33 33 VAL N N 33 122.000 122.000 121.323 0.677 18156 9315 1 19 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.716 -0.716 18156 9316 1 19 . 1 1 33 33 VAL C C 33 174.500 174.500 176.617 -2.117 18156 9317 1 19 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.676 1.624 18156 9318 1 19 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.183 -0.083 18156 9319 1 19 . 1 1 33 33 VAL H H 33 8.180 8.180 7.640 0.540 18156 9320 1 19 . 1 1 34 34 ASP N N 34 128.200 128.200 129.191 -0.991 18156 9321 1 19 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.590 0.170 18156 9322 1 19 . 1 1 34 34 ASP C C 34 175.400 175.400 175.588 -0.188 18156 9323 1 19 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.827 -1.527 18156 9324 1 19 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.569 1.031 18156 9325 1 19 . 1 1 34 34 ASP H H 34 9.150 9.150 9.128 0.022 18156 9326 1 19 . 1 1 35 35 ARG N N 35 112.200 112.200 115.267 -3.067 18156 9327 1 19 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.764 -0.144 18156 9328 1 19 . 1 1 35 35 ARG C C 35 172.900 172.900 173.695 -0.795 18156 9329 1 19 . 1 1 35 35 ARG CA C 35 55.300 55.300 55.348 -0.048 18156 9330 1 19 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.831 -0.731 18156 9331 1 19 . 1 1 35 35 ARG H H 35 7.440 7.440 7.447 -0.007 18156 9332 1 19 . 1 1 36 36 LEU N N 36 120.400 120.400 122.679 -2.279 18156 9333 1 19 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.425 -0.405 18156 9334 1 19 . 1 1 36 36 LEU C C 36 174.800 174.800 175.347 -0.547 18156 9335 1 19 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.510 -0.510 18156 9336 1 19 . 1 1 36 36 LEU CB C 36 43.900 43.900 45.957 -2.057 18156 9337 1 19 . 1 1 36 36 LEU H H 36 8.410 8.410 9.006 -0.596 18156 9338 1 19 . 1 1 37 37 GLU N N 37 120.800 120.800 122.598 -1.798 18156 9339 1 19 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.897 0.033 18156 9340 1 19 . 1 1 37 37 GLU C C 37 174.400 174.400 175.696 -1.296 18156 9341 1 19 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.684 -1.384 18156 9342 1 19 . 1 1 37 37 GLU CB C 37 31.700 31.700 31.758 -0.058 18156 9343 1 19 . 1 1 37 37 GLU H H 37 8.470 8.470 8.615 -0.145 18156 9344 1 19 . 1 1 38 38 VAL N N 38 125.600 125.600 127.425 -1.825 18156 9345 1 19 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.802 0.208 18156 9346 1 19 . 1 1 38 38 VAL C C 38 175.500 175.500 174.540 0.960 18156 9347 1 19 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.543 -0.143 18156 9348 1 19 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.708 0.092 18156 9349 1 19 . 1 1 38 38 VAL H H 38 9.130 9.130 8.514 0.616 18156 9350 1 19 . 1 1 39 39 VAL N N 39 131.700 131.700 128.375 3.325 18156 9351 1 19 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.827 0.353 18156 9352 1 19 . 1 1 39 39 VAL C C 39 175.600 175.600 175.739 -0.139 18156 9353 1 19 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.408 0.291 18156 9354 1 19 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.062 0.738 18156 9355 1 19 . 1 1 39 39 VAL H H 39 9.040 9.040 7.488 1.552 18156 9356 1 19 . 1 1 40 40 ASN N N 40 125.000 125.000 126.140 -1.140 18156 9357 1 19 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.247 0.212 18156 9358 1 19 . 1 1 40 40 ASN C C 40 173.300 173.300 174.529 -1.229 18156 9359 1 19 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.507 -0.407 18156 9360 1 19 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.003 -0.003 18156 9361 1 19 . 1 1 40 40 ASN H H 40 9.060 9.060 8.886 0.174 18156 9362 1 19 . 1 1 41 41 LYS N N 41 109.900 109.900 111.156 -1.256 18156 9363 1 19 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.574 -0.334 18156 9364 1 19 . 1 1 41 41 LYS C C 41 175.000 175.000 176.014 -1.014 18156 9365 1 19 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.604 -0.304 18156 9366 1 19 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.194 -0.594 18156 9367 1 19 . 1 1 41 41 LYS H H 41 9.250 9.250 7.714 1.536 18156 9368 1 19 . 1 1 42 42 ARG N N 42 115.800 115.800 118.040 -2.240 18156 9369 1 19 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.256 0.454 18156 9370 1 19 . 1 1 42 42 ARG C C 42 174.900 174.900 175.868 -0.968 18156 9371 1 19 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.583 -1.383 18156 9372 1 19 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.015 2.185 18156 9373 1 19 . 1 1 42 42 ARG H H 42 8.110 8.110 7.508 0.602 18156 9374 1 19 . 1 1 43 43 PHE N N 43 115.100 115.100 111.257 3.843 18156 9375 1 19 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.103 0.057 18156 9376 1 19 . 1 1 43 43 PHE C C 43 171.200 171.200 172.732 -1.532 18156 9377 1 19 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.916 -0.216 18156 9378 1 19 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.578 -0.478 18156 9379 1 19 . 1 1 43 43 PHE H H 43 7.610 7.610 7.256 0.354 18156 9380 1 19 . 1 1 44 44 VAL N N 44 121.200 121.200 117.852 3.348 18156 9381 1 19 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.419 0.171 18156 9382 1 19 . 1 1 44 44 VAL C C 44 174.600 174.600 174.268 0.332 18156 9383 1 19 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.330 -0.529 18156 9384 1 19 . 1 1 44 44 VAL CB C 44 32.900 32.900 35.043 -2.143 18156 9385 1 19 . 1 1 44 44 VAL H H 44 9.030 9.030 8.573 0.457 18156 9386 1 19 . 1 1 45 45 ARG N N 45 125.000 125.000 126.848 -1.848 18156 9387 1 19 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.727 0.233 18156 9388 1 19 . 1 1 45 45 ARG C C 45 175.400 175.400 175.218 0.182 18156 9389 1 19 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.439 0.561 18156 9390 1 19 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.586 0.614 18156 9391 1 19 . 1 1 45 45 ARG H H 45 9.320 9.320 8.539 0.781 18156 9392 1 19 . 1 1 46 46 VAL N N 46 127.200 127.200 129.218 -2.018 18156 9393 1 19 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.181 -0.070 18156 9394 1 19 . 1 1 46 46 VAL C C 46 174.700 174.700 175.009 -0.309 18156 9395 1 19 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.469 -0.269 18156 9396 1 19 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.549 1.551 18156 9397 1 19 . 1 1 46 46 VAL H H 46 8.770 8.770 8.625 0.145 18156 9398 1 19 . 1 1 47 47 THR N N 47 120.800 120.800 125.092 -4.292 18156 9399 1 19 . 1 1 47 47 THR HA H 47 4.700 4.700 4.649 0.051 18156 9400 1 19 . 1 1 47 47 THR C C 47 174.500 174.500 174.030 0.470 18156 9401 1 19 . 1 1 47 47 THR CA C 47 61.300 61.300 62.846 -1.546 18156 9402 1 19 . 1 1 47 47 THR CB C 47 69.800 69.800 69.448 0.352 18156 9403 1 19 . 1 1 47 47 THR H H 47 8.110 8.110 8.647 -0.537 18156 9404 1 19 . 1 1 48 48 PHE N N 48 125.700 125.700 126.999 -1.299 18156 9405 1 19 . 1 1 48 48 PHE HA H 48 5.350 5.350 4.986 0.364 18156 9406 1 19 . 1 1 48 48 PHE C C 48 176.000 176.000 177.038 -1.038 18156 9407 1 19 . 1 1 48 48 PHE CA C 48 57.300 57.300 55.359 1.941 18156 9408 1 19 . 1 1 48 48 PHE CB C 48 41.400 41.400 39.001 2.399 18156 9409 1 19 . 1 1 48 48 PHE H H 48 9.000 9.000 8.639 0.361 18156 9410 1 19 . 1 1 49 49 THR N N 49 118.900 118.900 120.246 -1.346 18156 9411 1 19 . 1 1 49 49 THR HA H 49 4.330 4.330 4.665 -0.335 18156 9412 1 19 . 1 1 49 49 THR CA C 49 61.200 61.200 60.492 0.709 18156 9413 1 19 . 1 1 49 49 THR CB C 49 69.400 69.400 68.541 0.859 18156 9414 1 19 . 1 1 49 49 THR H H 49 8.620 8.620 8.486 0.134 18156 9415 1 19 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.295 0.065 18156 9416 1 19 . 1 1 50 50 PRO C C 50 177.700 177.700 178.593 -0.893 18156 9417 1 19 . 1 1 50 50 PRO CA C 50 64.500 64.500 63.757 0.743 18156 9418 1 19 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.703 0.097 18156 9419 1 19 . 1 1 51 51 GLY N N 51 111.300 111.300 115.056 -3.756 18156 9420 1 19 . 1 1 51 51 GLY C C 51 175.200 175.200 175.391 -0.191 18156 9421 1 19 . 1 1 51 51 GLY CA C 51 45.400 45.400 46.005 -0.605 18156 9422 1 19 . 1 1 51 51 GLY H H 51 8.880 8.880 8.611 0.269 18156 9423 1 19 . 1 1 52 52 LYS N N 52 118.900 118.900 122.131 -3.231 18156 9424 1 19 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.157 0.413 18156 9425 1 19 . 1 1 52 52 LYS C C 52 175.800 175.800 176.862 -1.062 18156 9426 1 19 . 1 1 52 52 LYS CA C 52 54.800 54.800 57.885 -3.085 18156 9427 1 19 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.217 -0.617 18156 9428 1 19 . 1 1 52 52 LYS H H 52 8.110 8.110 7.989 0.121 18156 9429 1 19 . 1 1 53 53 THR N N 53 114.700 114.700 113.731 0.969 18156 9430 1 19 . 1 1 53 53 THR HA H 53 4.180 4.180 4.676 -0.496 18156 9431 1 19 . 1 1 53 53 THR CA C 53 60.400 60.400 59.271 1.129 18156 9432 1 19 . 1 1 53 53 THR CB C 53 69.100 69.100 70.579 -1.479 18156 9433 1 19 . 1 1 53 53 THR H H 53 7.700 7.700 7.583 0.117 18156 9434 1 19 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.417 -0.007 18156 9435 1 19 . 1 1 54 54 PRO C C 54 177.500 177.500 177.256 0.244 18156 9436 1 19 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.780 0.420 18156 9437 1 19 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.171 0.129 18156 9438 1 19 . 1 1 55 55 VAL N N 55 119.300 119.300 123.922 -4.622 18156 9439 1 19 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.820 0.180 18156 9440 1 19 . 1 1 55 55 VAL C C 55 176.000 176.000 177.243 -1.243 18156 9441 1 19 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.124 -0.823 18156 9442 1 19 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.713 0.687 18156 9443 1 19 . 1 1 55 55 VAL H H 55 8.190 8.190 8.490 -0.300 18156 9444 1 19 . 1 1 56 56 ASP N N 56 120.300 120.300 119.160 1.140 18156 9445 1 19 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.548 0.022 18156 9446 1 19 . 1 1 56 56 ASP C C 56 177.000 177.000 176.868 0.132 18156 9447 1 19 . 1 1 56 56 ASP CA C 56 54.300 54.300 55.343 -1.043 18156 9448 1 19 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.959 -0.259 18156 9449 1 19 . 1 1 56 56 ASP H H 56 8.170 8.170 8.245 -0.075 18156 9450 1 19 . 1 1 57 57 GLY N N 57 108.300 108.300 107.887 0.413 18156 9451 1 19 . 1 1 57 57 GLY C C 57 173.700 173.700 173.995 -0.295 18156 9452 1 19 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.875 0.925 18156 9453 1 19 . 1 1 57 57 GLY H H 57 8.110 8.110 7.474 0.636 18156 9454 1 19 . 1 1 58 58 GLN N N 58 118.900 118.900 122.888 -3.988 18156 9455 1 19 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.378 0.122 18156 9456 1 19 . 1 1 58 58 GLN C C 58 175.700 175.700 175.748 -0.048 18156 9457 1 19 . 1 1 58 58 GLN CA C 58 56.200 56.200 56.136 0.064 18156 9458 1 19 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.665 0.535 18156 9459 1 19 . 1 1 58 58 GLN H H 58 8.070 8.070 8.374 -0.304 18156 9460 1 19 . 1 1 59 59 TYR N N 59 118.800 118.800 121.475 -2.675 18156 9461 1 19 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.220 0.910 18156 9462 1 19 . 1 1 59 59 TYR C C 59 177.500 177.500 176.072 1.428 18156 9463 1 19 . 1 1 59 59 TYR CA C 59 56.700 56.700 59.326 -2.626 18156 9464 1 19 . 1 1 59 59 TYR CB C 59 39.300 39.300 38.508 0.792 18156 9465 1 19 . 1 1 59 59 TYR H H 59 8.110 8.110 8.883 -0.773 18156 9466 1 19 . 1 1 60 60 VAL N N 60 115.600 115.600 116.148 -0.548 18156 9467 1 19 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.267 0.233 18156 9468 1 19 . 1 1 60 60 VAL C C 60 174.700 174.700 175.138 -0.438 18156 9469 1 19 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.488 0.512 18156 9470 1 19 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.050 -0.050 18156 9471 1 19 . 1 1 60 60 VAL H H 60 8.250 8.250 7.872 0.378 18156 9472 1 19 . 1 1 61 61 TRP N N 61 120.800 120.800 118.702 2.098 18156 9473 1 19 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.418 0.502 18156 9474 1 19 . 1 1 61 61 TRP C C 61 172.700 172.700 173.588 -0.888 18156 9475 1 19 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.465 -0.465 18156 9476 1 19 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.776 0.124 18156 9477 1 19 . 1 1 61 61 TRP H H 61 8.500 8.500 8.408 0.092 18156 9478 1 19 . 1 1 62 62 PHE N N 62 112.100 112.100 115.170 -3.070 18156 9479 1 19 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.839 0.201 18156 9480 1 19 . 1 1 62 62 PHE C C 62 174.800 174.800 173.760 1.040 18156 9481 1 19 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.168 -0.768 18156 9482 1 19 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.660 0.241 18156 9483 1 19 . 1 1 62 62 PHE H H 62 8.700 8.700 8.850 -0.150 18156 9484 1 19 . 1 1 63 63 ASN N N 63 120.800 120.800 120.432 0.368 18156 9485 1 19 . 1 1 63 63 ASN HA H 63 5.160 5.160 4.868 0.292 18156 9486 1 19 . 1 1 63 63 ASN C C 63 175.800 175.800 175.070 0.730 18156 9487 1 19 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.214 0.886 18156 9488 1 19 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.538 1.062 18156 9489 1 19 . 1 1 63 63 ASN H H 63 9.340 9.340 8.879 0.461 18156 9490 1 19 . 1 1 64 64 ILE N N 64 113.400 113.400 116.881 -3.481 18156 9491 1 19 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.515 0.135 18156 9492 1 19 . 1 1 64 64 ILE C C 64 175.300 175.300 177.235 -1.935 18156 9493 1 19 . 1 1 64 64 ILE CA C 64 60.100 60.100 61.435 -1.335 18156 9494 1 19 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.347 2.753 18156 9495 1 19 . 1 1 64 64 ILE H H 64 7.820 7.820 8.076 -0.256 18156 9496 1 19 . 1 1 65 65 GLY N N 65 110.700 110.700 109.790 0.910 18156 9497 1 19 . 1 1 65 65 GLY C C 65 174.300 174.300 175.434 -1.134 18156 9498 1 19 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.609 -0.809 18156 9499 1 19 . 1 1 65 65 GLY H H 65 8.570 8.570 8.074 0.496 18156 9500 1 19 . 1 1 66 66 SER N N 66 113.800 113.800 121.419 -7.619 18156 9501 1 19 . 1 1 66 66 SER HA H 66 4.730 4.730 4.485 0.245 18156 9502 1 19 . 1 1 66 66 SER C C 66 175.500 175.500 175.155 0.345 18156 9503 1 19 . 1 1 66 66 SER CA C 66 56.800 56.800 58.312 -1.512 18156 9504 1 19 . 1 1 66 66 SER CB C 66 64.500 64.500 62.525 1.975 18156 9505 1 19 . 1 1 66 66 SER H H 66 7.680 7.680 8.076 -0.396 18156 9506 1 19 . 1 1 67 67 VAL N N 67 127.000 127.000 126.472 0.528 18156 9507 1 19 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.752 0.068 18156 9508 1 19 . 1 1 67 67 VAL C C 67 176.700 176.700 177.227 -0.527 18156 9509 1 19 . 1 1 67 67 VAL CA C 67 66.600 66.600 66.097 0.503 18156 9510 1 19 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.877 -0.177 18156 9511 1 19 . 1 1 67 67 VAL H H 67 9.150 9.150 7.816 1.334 18156 9512 1 19 . 1 1 68 68 ASP N N 68 118.800 118.800 118.542 0.258 18156 9513 1 19 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.391 0.059 18156 9514 1 19 . 1 1 68 68 ASP C C 68 178.700 178.700 178.467 0.233 18156 9515 1 19 . 1 1 68 68 ASP CA C 68 57.300 57.300 58.436 -1.136 18156 9516 1 19 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.072 0.628 18156 9517 1 19 . 1 1 68 68 ASP H H 68 8.320 8.320 8.789 -0.469 18156 9518 1 19 . 1 1 69 69 THR N N 69 114.500 114.500 116.673 -2.173 18156 9519 1 19 . 1 1 69 69 THR HA H 69 3.910 3.910 4.026 -0.116 18156 9520 1 19 . 1 1 69 69 THR C C 69 175.500 175.500 176.221 -0.721 18156 9521 1 19 . 1 1 69 69 THR CA C 69 65.600 65.600 65.977 -0.377 18156 9522 1 19 . 1 1 69 69 THR CB C 69 68.900 68.900 68.599 0.301 18156 9523 1 19 . 1 1 69 69 THR H H 69 7.710 7.710 7.297 0.413 18156 9524 1 19 . 1 1 70 70 PHE N N 70 122.800 122.800 122.541 0.259 18156 9525 1 19 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.882 0.438 18156 9526 1 19 . 1 1 70 70 PHE C C 70 176.000 176.000 177.078 -1.078 18156 9527 1 19 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.455 -0.955 18156 9528 1 19 . 1 1 70 70 PHE CB C 70 39.100 39.100 39.003 0.097 18156 9529 1 19 . 1 1 70 70 PHE H H 70 7.680 7.680 7.904 -0.224 18156 9530 1 19 . 1 1 71 71 GLU N N 71 118.400 118.400 118.437 -0.037 18156 9531 1 19 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.810 -0.440 18156 9532 1 19 . 1 1 71 71 GLU C C 71 179.900 179.900 179.332 0.568 18156 9533 1 19 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.948 0.252 18156 9534 1 19 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.238 -0.038 18156 9535 1 19 . 1 1 71 71 GLU H H 71 8.660 8.660 8.222 0.438 18156 9536 1 19 . 1 1 72 72 ARG N N 72 119.500 119.500 118.087 1.413 18156 9537 1 19 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.017 0.143 18156 9538 1 19 . 1 1 72 72 ARG C C 72 179.200 179.200 178.890 0.310 18156 9539 1 19 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.566 -0.466 18156 9540 1 19 . 1 1 72 72 ARG CB C 72 30.100 30.100 30.126 -0.026 18156 9541 1 19 . 1 1 72 72 ARG H H 72 7.960 7.960 7.845 0.115 18156 9542 1 19 . 1 1 73 73 ASN N N 73 119.900 119.900 118.924 0.976 18156 9543 1 19 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.385 0.125 18156 9544 1 19 . 1 1 73 73 ASN C C 73 178.100 178.100 177.232 0.868 18156 9545 1 19 . 1 1 73 73 ASN CA C 73 55.500 55.500 56.501 -1.001 18156 9546 1 19 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.354 -0.954 18156 9547 1 19 . 1 1 73 73 ASN H H 73 8.610 8.610 8.045 0.565 18156 9548 1 19 . 1 1 74 74 LEU N N 74 121.900 121.900 122.049 -0.149 18156 9549 1 19 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.238 0.012 18156 9550 1 19 . 1 1 74 74 LEU C C 74 179.100 179.100 178.692 0.408 18156 9551 1 19 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.548 -0.249 18156 9552 1 19 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.729 0.071 18156 9553 1 19 . 1 1 74 74 LEU H H 74 8.720 8.720 8.094 0.626 18156 9554 1 19 . 1 1 75 75 GLU N N 75 120.700 120.700 117.113 3.587 18156 9555 1 19 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.033 0.077 18156 9556 1 19 . 1 1 75 75 GLU C C 75 178.900 178.900 179.364 -0.464 18156 9557 1 19 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.268 0.632 18156 9558 1 19 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.066 0.234 18156 9559 1 19 . 1 1 75 75 GLU H H 75 8.070 8.070 8.267 -0.197 18156 9560 1 19 . 1 1 76 76 THR N N 76 115.700 115.700 117.373 -1.673 18156 9561 1 19 . 1 1 76 76 THR HA H 76 4.000 4.000 4.064 -0.064 18156 9562 1 19 . 1 1 76 76 THR C C 76 176.600 176.600 176.751 -0.151 18156 9563 1 19 . 1 1 76 76 THR CA C 76 66.500 66.500 66.123 0.377 18156 9564 1 19 . 1 1 76 76 THR CB C 76 69.000 69.000 68.739 0.261 18156 9565 1 19 . 1 1 76 76 THR H H 76 8.400 8.400 7.646 0.754 18156 9566 1 19 . 1 1 77 77 LEU N N 77 122.200 122.200 123.235 -1.035 18156 9567 1 19 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.162 0.098 18156 9568 1 19 . 1 1 77 77 LEU C C 77 179.200 179.200 178.781 0.419 18156 9569 1 19 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.402 -1.102 18156 9570 1 19 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.647 0.253 18156 9571 1 19 . 1 1 77 77 LEU H H 77 8.330 8.330 8.528 -0.198 18156 9572 1 19 . 1 1 78 78 GLN N N 78 115.700 115.700 117.118 -1.418 18156 9573 1 19 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.878 0.002 18156 9574 1 19 . 1 1 78 78 GLN C C 78 177.600 177.600 178.595 -0.995 18156 9575 1 19 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.263 2.037 18156 9576 1 19 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.519 0.881 18156 9577 1 19 . 1 1 78 78 GLN H H 78 8.200 8.200 8.011 0.189 18156 9578 1 19 . 1 1 79 79 GLN N N 79 118.400 118.400 118.508 -0.108 18156 9579 1 19 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.003 0.137 18156 9580 1 19 . 1 1 79 79 GLN C C 79 180.000 180.000 178.815 1.185 18156 9581 1 19 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.926 0.274 18156 9582 1 19 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.714 -0.514 18156 9583 1 19 . 1 1 79 79 GLN H H 79 7.980 7.980 7.770 0.210 18156 9584 1 19 . 1 1 80 80 GLU N N 80 121.700 121.700 119.825 1.875 18156 9585 1 19 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.092 -0.042 18156 9586 1 19 . 1 1 80 80 GLU C C 80 178.800 178.800 178.669 0.131 18156 9587 1 19 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.709 0.591 18156 9588 1 19 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.661 -0.061 18156 9589 1 19 . 1 1 80 80 GLU H H 80 8.400 8.400 8.093 0.307 18156 9590 1 19 . 1 1 81 81 LEU N N 81 117.200 117.200 117.872 -0.672 18156 9591 1 19 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.279 0.021 18156 9592 1 19 . 1 1 81 81 LEU C C 81 177.400 177.400 178.045 -0.645 18156 9593 1 19 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.538 -0.438 18156 9594 1 19 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.460 0.340 18156 9595 1 19 . 1 1 81 81 LEU H H 81 8.120 8.120 7.966 0.154 18156 9596 1 19 . 1 1 82 82 GLY N N 82 108.900 108.900 106.685 2.215 18156 9597 1 19 . 1 1 82 82 GLY C C 82 174.600 174.600 174.663 -0.063 18156 9598 1 19 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.209 1.091 18156 9599 1 19 . 1 1 82 82 GLY H H 82 7.840 7.840 7.585 0.255 18156 9600 1 19 . 1 1 83 83 ILE N N 83 121.900 121.900 124.210 -2.310 18156 9601 1 19 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.924 0.076 18156 9602 1 19 . 1 1 83 83 ILE C C 83 175.300 175.300 174.784 0.516 18156 9603 1 19 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.602 -1.102 18156 9604 1 19 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.288 0.513 18156 9605 1 19 . 1 1 83 83 ILE H H 83 8.250 8.250 7.976 0.274 18156 9606 1 19 . 1 1 84 84 GLU N N 84 126.600 126.600 125.167 1.433 18156 9607 1 19 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.635 -0.135 18156 9608 1 19 . 1 1 84 84 GLU C C 84 177.400 177.400 176.617 0.783 18156 9609 1 19 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.831 0.469 18156 9610 1 19 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.904 -0.304 18156 9611 1 19 . 1 1 84 84 GLU H H 84 8.760 8.760 8.153 0.607 18156 9612 1 19 . 1 1 85 85 GLY N N 85 109.400 109.400 112.999 -3.599 18156 9613 1 19 . 1 1 85 85 GLY C C 85 176.600 176.600 175.728 0.872 18156 9614 1 19 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.648 0.752 18156 9615 1 19 . 1 1 85 85 GLY H H 85 8.870 8.870 8.839 0.031 18156 9616 1 19 . 1 1 86 86 GLU N N 86 123.900 123.900 124.407 -0.507 18156 9617 1 19 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.059 0.191 18156 9618 1 19 . 1 1 86 86 GLU C C 86 176.200 176.200 176.865 -0.665 18156 9619 1 19 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.227 -0.427 18156 9620 1 19 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.141 -0.041 18156 9621 1 19 . 1 1 86 86 GLU H H 86 9.240 9.240 8.811 0.429 18156 9622 1 19 . 1 1 87 87 ASN N N 87 115.900 115.900 116.862 -0.962 18156 9623 1 19 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.635 0.195 18156 9624 1 19 . 1 1 87 87 ASN C C 87 174.600 174.600 175.642 -1.042 18156 9625 1 19 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.773 -0.573 18156 9626 1 19 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.232 0.168 18156 9627 1 19 . 1 1 87 87 ASN H H 87 8.050 8.050 7.651 0.399 18156 9628 1 19 . 1 1 88 88 ARG N N 88 119.300 119.300 118.854 0.446 18156 9629 1 19 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.226 -0.176 18156 9630 1 19 . 1 1 88 88 ARG C C 88 176.600 176.600 176.135 0.465 18156 9631 1 19 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.779 -0.179 18156 9632 1 19 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.979 -0.379 18156 9633 1 19 . 1 1 88 88 ARG H H 88 7.230 7.230 7.392 -0.162 18156 9634 1 19 . 1 1 89 89 VAL N N 89 124.700 124.700 124.163 0.537 18156 9635 1 19 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.324 -0.034 18156 9636 1 19 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.182 -0.182 18156 9637 1 19 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.894 1.206 18156 9638 1 19 . 1 1 89 89 VAL H H 89 8.780 8.780 8.275 0.505 18156 9639 1 19 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.477 0.033 18156 9640 1 19 . 1 1 90 90 PRO C C 90 175.100 175.100 175.538 -0.438 18156 9641 1 19 . 1 1 90 90 PRO CA C 90 63.100 63.100 63.337 -0.237 18156 9642 1 19 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.122 0.478 18156 9643 1 19 . 1 1 91 91 VAL N N 91 121.600 121.600 124.851 -3.251 18156 9644 1 19 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.917 -0.107 18156 9645 1 19 . 1 1 91 91 VAL C C 91 176.100 176.100 176.166 -0.066 18156 9646 1 19 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.819 -0.519 18156 9647 1 19 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.331 0.869 18156 9648 1 19 . 1 1 91 91 VAL H H 91 8.030 8.030 8.338 -0.308 18156 9649 1 19 . 1 1 92 92 VAL N N 92 124.800 124.800 129.177 -4.377 18156 9650 1 19 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.419 0.121 18156 9651 1 19 . 1 1 92 92 VAL C C 92 173.600 173.600 174.916 -1.316 18156 9652 1 19 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.164 -1.464 18156 9653 1 19 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.893 2.007 18156 9654 1 19 . 1 1 92 92 VAL H H 92 8.640 8.640 8.953 -0.313 18156 9655 1 19 . 1 1 93 93 TYR N N 93 124.700 124.700 128.538 -3.838 18156 9656 1 19 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.545 0.385 18156 9657 1 19 . 1 1 93 93 TYR C C 93 175.700 175.700 176.177 -0.477 18156 9658 1 19 . 1 1 93 93 TYR CA C 93 57.400 57.400 59.238 -1.838 18156 9659 1 19 . 1 1 93 93 TYR CB C 93 38.500 38.500 38.285 0.215 18156 9660 1 19 . 1 1 93 93 TYR H H 93 8.800 8.800 8.880 -0.080 18156 9661 1 19 . 1 1 94 94 ILE N N 94 123.100 123.100 124.825 -1.725 18156 9662 1 19 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.368 0.142 18156 9663 1 19 . 1 1 94 94 ILE C C 94 173.700 173.700 174.358 -0.658 18156 9664 1 19 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.084 -0.883 18156 9665 1 19 . 1 1 94 94 ILE CB C 94 41.500 41.500 40.973 0.527 18156 9666 1 19 . 1 1 94 94 ILE H H 94 9.000 9.000 8.624 0.376 18156 9667 1 19 . 1 1 95 95 ALA N N 95 128.000 128.000 128.828 -0.828 18156 9668 1 19 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.462 0.528 18156 9669 1 19 . 1 1 95 95 ALA C C 95 177.000 177.000 176.968 0.032 18156 9670 1 19 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.129 -0.629 18156 9671 1 19 . 1 1 95 95 ALA CB C 95 20.400 20.400 18.997 1.403 18156 9672 1 19 . 1 1 95 95 ALA H H 95 8.450 8.450 8.421 0.029 18156 9673 1 19 . 1 1 96 96 GLU N N 96 122.200 122.200 122.944 -0.744 18156 9674 1 19 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.488 0.032 18156 9675 1 19 . 1 1 96 96 GLU C C 96 176.000 176.000 175.788 0.212 18156 9676 1 19 . 1 1 96 96 GLU CA C 96 55.500 55.500 54.602 0.898 18156 9677 1 19 . 1 1 96 96 GLU CB C 96 32.800 32.800 31.159 1.641 18156 9678 1 19 . 1 1 96 96 GLU H H 96 8.850 8.850 8.336 0.514 18156 9679 1 19 . 1 1 97 97 SER N N 97 118.600 118.600 115.363 3.237 18156 9680 1 19 . 1 1 97 97 SER HA H 97 4.430 4.430 4.518 -0.088 18156 9681 1 19 . 1 1 97 97 SER C C 97 174.200 174.200 173.186 1.014 18156 9682 1 19 . 1 1 97 97 SER CA C 97 58.500 58.500 57.866 0.634 18156 9683 1 19 . 1 1 97 97 SER CB C 97 63.800 63.800 63.537 0.263 18156 9684 1 19 . 1 1 97 97 SER H H 97 8.650 8.650 8.166 0.484 18156 9685 1 19 . 1 1 98 98 ASP N N 98 123.200 123.200 124.845 -1.645 18156 9686 1 19 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.813 -0.143 18156 9687 1 19 . 1 1 98 98 ASP C C 98 175.500 175.500 175.982 -0.482 18156 9688 1 19 . 1 1 98 98 ASP CA C 98 54.400 54.400 53.872 0.528 18156 9689 1 19 . 1 1 98 98 ASP CB C 98 41.400 41.400 40.648 0.752 18156 9690 1 19 . 1 1 98 98 ASP H H 98 8.500 8.500 8.436 0.064 18156 9691 1 20 . 1 1 2 2 GLY CA C 2 43.500 43.500 45.561 -2.061 18156 9692 1 20 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.608 -0.018 18156 9693 1 20 . 1 1 10 10 HIS C C 10 175.500 175.500 175.430 0.070 18156 9694 1 20 . 1 1 10 10 HIS CA C 10 56.500 56.500 56.182 0.318 18156 9695 1 20 . 1 1 10 10 HIS CB C 10 30.200 30.200 28.503 1.697 18156 9696 1 20 . 1 1 11 11 MET N N 11 120.900 120.900 121.221 -0.321 18156 9697 1 20 . 1 1 11 11 MET HA H 11 4.290 4.290 4.320 -0.030 18156 9698 1 20 . 1 1 11 11 MET C C 11 176.300 176.300 176.386 -0.086 18156 9699 1 20 . 1 1 11 11 MET CA C 11 55.900 55.900 57.603 -1.703 18156 9700 1 20 . 1 1 11 11 MET CB C 11 32.700 32.700 33.174 -0.474 18156 9701 1 20 . 1 1 11 11 MET H H 11 8.210 8.210 8.385 -0.175 18156 9702 1 20 . 1 1 12 12 LYS N N 12 122.100 122.100 118.939 3.161 18156 9703 1 20 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.381 -0.251 18156 9704 1 20 . 1 1 12 12 LYS C C 12 176.700 176.700 176.608 0.092 18156 9705 1 20 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.490 0.310 18156 9706 1 20 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.952 -0.152 18156 9707 1 20 . 1 1 12 12 LYS H H 12 8.300 8.300 8.263 0.037 18156 9708 1 20 . 1 1 13 13 ARG N N 13 121.500 121.500 120.891 0.609 18156 9709 1 20 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.411 -0.141 18156 9710 1 20 . 1 1 13 13 ARG C C 13 176.200 176.200 175.628 0.572 18156 9711 1 20 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.022 0.178 18156 9712 1 20 . 1 1 13 13 ARG CB C 13 30.800 30.800 31.022 -0.222 18156 9713 1 20 . 1 1 13 13 ARG H H 13 8.160 8.160 8.677 -0.517 18156 9714 1 20 . 1 1 14 14 SER N N 14 116.700 116.700 112.873 3.827 18156 9715 1 20 . 1 1 14 14 SER HA H 14 4.530 4.530 4.872 -0.342 18156 9716 1 20 . 1 1 14 14 SER C C 14 173.600 173.600 173.526 0.074 18156 9717 1 20 . 1 1 14 14 SER CA C 14 58.300 58.300 57.278 1.022 18156 9718 1 20 . 1 1 14 14 SER CB C 14 64.100 64.100 65.962 -1.862 18156 9719 1 20 . 1 1 14 14 SER H H 14 8.160 8.160 7.717 0.443 18156 9720 1 20 . 1 1 15 15 GLY N N 15 109.300 109.300 108.977 0.323 18156 9721 1 20 . 1 1 15 15 GLY C C 15 173.000 173.000 173.187 -0.187 18156 9722 1 20 . 1 1 15 15 GLY CA C 15 44.700 44.700 46.377 -1.677 18156 9723 1 20 . 1 1 15 15 GLY H H 15 8.100 8.100 8.681 -0.581 18156 9724 1 20 . 1 1 16 16 ARG N N 16 122.300 122.300 123.332 -1.032 18156 9725 1 20 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.610 -0.080 18156 9726 1 20 . 1 1 16 16 ARG C C 16 173.200 173.200 174.041 -0.841 18156 9727 1 20 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.070 1.230 18156 9728 1 20 . 1 1 16 16 ARG CB C 16 32.900 32.900 32.981 -0.081 18156 9729 1 20 . 1 1 16 16 ARG H H 16 8.460 8.460 8.022 0.438 18156 9730 1 20 . 1 1 17 17 GLU N N 17 126.800 126.800 127.537 -0.737 18156 9731 1 20 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.942 -0.722 18156 9732 1 20 . 1 1 17 17 GLU C C 17 177.000 177.000 176.218 0.782 18156 9733 1 20 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.486 -0.486 18156 9734 1 20 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.294 0.806 18156 9735 1 20 . 1 1 17 17 GLU H H 17 8.190 8.190 8.443 -0.253 18156 9736 1 20 . 1 1 18 18 ILE N N 18 122.600 122.600 122.990 -0.390 18156 9737 1 20 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.592 0.368 18156 9738 1 20 . 1 1 18 18 ILE C C 18 174.600 174.600 175.255 -0.655 18156 9739 1 20 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.380 -0.180 18156 9740 1 20 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.224 1.676 18156 9741 1 20 . 1 1 18 18 ILE H H 18 8.870 8.870 8.096 0.774 18156 9742 1 20 . 1 1 19 19 THR N N 19 108.700 108.700 110.198 -1.498 18156 9743 1 20 . 1 1 19 19 THR HA H 19 4.760 4.760 4.543 0.217 18156 9744 1 20 . 1 1 19 19 THR C C 19 175.400 175.400 175.450 -0.050 18156 9745 1 20 . 1 1 19 19 THR CA C 19 59.800 59.800 59.686 0.114 18156 9746 1 20 . 1 1 19 19 THR CB C 19 72.100 72.100 71.570 0.530 18156 9747 1 20 . 1 1 19 19 THR H H 19 8.140 8.140 7.856 0.284 18156 9748 1 20 . 1 1 20 20 TRP N N 20 121.900 121.900 123.055 -1.155 18156 9749 1 20 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.890 0.010 18156 9750 1 20 . 1 1 20 20 TRP C C 20 176.600 176.600 177.289 -0.689 18156 9751 1 20 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.474 -0.474 18156 9752 1 20 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.405 -0.105 18156 9753 1 20 . 1 1 20 20 TRP H H 20 9.060 9.060 8.595 0.465 18156 9754 1 20 . 1 1 21 21 LYS N N 21 116.900 116.900 117.600 -0.700 18156 9755 1 20 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.822 -0.162 18156 9756 1 20 . 1 1 21 21 LYS C C 21 178.200 178.200 178.353 -0.153 18156 9757 1 20 . 1 1 21 21 LYS CA C 21 59.700 59.700 60.049 -0.349 18156 9758 1 20 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.970 0.230 18156 9759 1 20 . 1 1 21 21 LYS H H 21 8.320 8.320 8.191 0.129 18156 9760 1 20 . 1 1 22 22 ASP N N 22 119.000 119.000 119.601 -0.601 18156 9761 1 20 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.439 -0.169 18156 9762 1 20 . 1 1 22 22 ASP C C 22 178.500 178.500 178.730 -0.230 18156 9763 1 20 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.240 -0.240 18156 9764 1 20 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.699 0.601 18156 9765 1 20 . 1 1 22 22 ASP H H 22 7.670 7.670 7.867 -0.197 18156 9766 1 20 . 1 1 23 23 PHE N N 23 120.000 120.000 122.281 -2.281 18156 9767 1 20 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.277 -0.027 18156 9768 1 20 . 1 1 23 23 PHE C C 23 177.500 177.500 177.065 0.435 18156 9769 1 20 . 1 1 23 23 PHE CA C 23 60.800 60.800 61.041 -0.241 18156 9770 1 20 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.899 -1.299 18156 9771 1 20 . 1 1 23 23 PHE H H 23 8.430 8.430 8.276 0.154 18156 9772 1 20 . 1 1 24 24 VAL N N 24 120.700 120.700 118.531 2.169 18156 9773 1 20 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.872 -0.142 18156 9774 1 20 . 1 1 24 24 VAL C C 24 178.200 178.200 178.108 0.092 18156 9775 1 20 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.322 0.578 18156 9776 1 20 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.610 1.490 18156 9777 1 20 . 1 1 24 24 VAL H H 24 8.250 8.250 7.951 0.299 18156 9778 1 20 . 1 1 25 25 ASN N N 25 116.700 116.700 118.009 -1.309 18156 9779 1 20 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.412 -0.212 18156 9780 1 20 . 1 1 25 25 ASN C C 25 176.200 176.200 177.144 -0.944 18156 9781 1 20 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.957 0.043 18156 9782 1 20 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.224 0.476 18156 9783 1 20 . 1 1 25 25 ASN H H 25 8.260 8.260 8.161 0.099 18156 9784 1 20 . 1 1 26 26 ASN N N 26 112.300 112.300 116.126 -3.826 18156 9785 1 20 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.518 0.082 18156 9786 1 20 . 1 1 26 26 ASN C C 26 174.500 174.500 175.347 -0.847 18156 9787 1 20 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.544 -0.944 18156 9788 1 20 . 1 1 26 26 ASN CB C 26 38.800 38.800 39.774 -0.974 18156 9789 1 20 . 1 1 26 26 ASN H H 26 8.490 8.490 7.977 0.513 18156 9790 1 20 . 1 1 27 27 TYR N N 27 113.700 113.700 117.503 -3.803 18156 9791 1 20 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.650 0.180 18156 9792 1 20 . 1 1 27 27 TYR C C 27 176.500 176.500 176.721 -0.221 18156 9793 1 20 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.613 -1.413 18156 9794 1 20 . 1 1 27 27 TYR CB C 27 39.300 39.300 39.024 0.276 18156 9795 1 20 . 1 1 27 27 TYR H H 27 7.000 7.000 7.637 -0.637 18156 9796 1 20 . 1 1 28 28 LEU N N 28 122.700 122.700 121.232 1.468 18156 9797 1 20 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.820 0.010 18156 9798 1 20 . 1 1 28 28 LEU C C 28 179.700 179.700 178.804 0.896 18156 9799 1 20 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.567 0.733 18156 9800 1 20 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.331 0.069 18156 9801 1 20 . 1 1 28 28 LEU H H 28 8.180 8.180 8.213 -0.033 18156 9802 1 20 . 1 1 29 29 SER N N 29 109.300 109.300 113.773 -4.473 18156 9803 1 20 . 1 1 29 29 SER HA H 29 4.120 4.120 4.179 -0.059 18156 9804 1 20 . 1 1 29 29 SER C C 29 174.000 174.000 175.626 -1.626 18156 9805 1 20 . 1 1 29 29 SER CA C 29 60.300 60.300 60.530 -0.230 18156 9806 1 20 . 1 1 29 29 SER CB C 29 63.100 63.100 62.697 0.403 18156 9807 1 20 . 1 1 29 29 SER H H 29 7.940 7.940 8.026 -0.086 18156 9808 1 20 . 1 1 30 30 LYS N N 30 117.200 117.200 119.228 -2.028 18156 9809 1 20 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.331 0.129 18156 9810 1 20 . 1 1 30 30 LYS C C 30 177.200 177.200 176.423 0.777 18156 9811 1 20 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.966 -1.166 18156 9812 1 20 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.838 0.162 18156 9813 1 20 . 1 1 30 30 LYS H H 30 6.680 6.680 7.340 -0.660 18156 9814 1 20 . 1 1 31 31 GLY N N 31 107.100 107.100 107.164 -0.064 18156 9815 1 20 . 1 1 31 31 GLY C C 31 175.700 175.700 175.682 0.018 18156 9816 1 20 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.246 1.154 18156 9817 1 20 . 1 1 31 31 GLY H H 31 7.660 7.660 7.617 0.043 18156 9818 1 20 . 1 1 32 32 VAL N N 32 107.300 107.300 112.603 -5.303 18156 9819 1 20 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.255 0.375 18156 9820 1 20 . 1 1 32 32 VAL C C 32 174.800 174.800 175.634 -0.834 18156 9821 1 20 . 1 1 32 32 VAL CA C 32 60.800 60.800 63.063 -2.263 18156 9822 1 20 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.064 0.036 18156 9823 1 20 . 1 1 32 32 VAL H H 32 6.910 6.910 7.328 -0.418 18156 9824 1 20 . 1 1 33 33 VAL N N 33 122.000 122.000 120.068 1.932 18156 9825 1 20 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.696 -0.696 18156 9826 1 20 . 1 1 33 33 VAL C C 33 174.500 174.500 175.788 -1.288 18156 9827 1 20 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.670 1.630 18156 9828 1 20 . 1 1 33 33 VAL CB C 33 32.100 32.100 31.909 0.191 18156 9829 1 20 . 1 1 33 33 VAL H H 33 8.180 8.180 7.550 0.630 18156 9830 1 20 . 1 1 34 34 ASP N N 34 128.200 128.200 125.991 2.209 18156 9831 1 20 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.554 0.206 18156 9832 1 20 . 1 1 34 34 ASP C C 34 175.400 175.400 175.364 0.036 18156 9833 1 20 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.601 -1.301 18156 9834 1 20 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.770 0.830 18156 9835 1 20 . 1 1 34 34 ASP H H 34 9.150 9.150 8.657 0.493 18156 9836 1 20 . 1 1 35 35 ARG N N 35 112.200 112.200 112.749 -0.549 18156 9837 1 20 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.879 -0.259 18156 9838 1 20 . 1 1 35 35 ARG C C 35 172.900 172.900 173.828 -0.928 18156 9839 1 20 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.702 0.598 18156 9840 1 20 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.160 -0.060 18156 9841 1 20 . 1 1 35 35 ARG H H 35 7.440 7.440 7.328 0.112 18156 9842 1 20 . 1 1 36 36 LEU N N 36 120.400 120.400 122.248 -1.848 18156 9843 1 20 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.085 -0.065 18156 9844 1 20 . 1 1 36 36 LEU C C 36 174.800 174.800 175.939 -1.139 18156 9845 1 20 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.614 -0.614 18156 9846 1 20 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.416 0.484 18156 9847 1 20 . 1 1 36 36 LEU H H 36 8.410 8.410 8.760 -0.350 18156 9848 1 20 . 1 1 37 37 GLU N N 37 120.800 120.800 124.790 -3.990 18156 9849 1 20 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.678 0.252 18156 9850 1 20 . 1 1 37 37 GLU C C 37 174.400 174.400 175.942 -1.542 18156 9851 1 20 . 1 1 37 37 GLU CA C 37 53.300 53.300 54.983 -1.683 18156 9852 1 20 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.286 1.414 18156 9853 1 20 . 1 1 37 37 GLU H H 37 8.470 8.470 8.665 -0.195 18156 9854 1 20 . 1 1 38 38 VAL N N 38 125.600 125.600 127.781 -2.181 18156 9855 1 20 . 1 1 38 38 VAL HA H 38 4.010 4.010 4.173 -0.163 18156 9856 1 20 . 1 1 38 38 VAL C C 38 175.500 175.500 175.258 0.242 18156 9857 1 20 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.439 -0.039 18156 9858 1 20 . 1 1 38 38 VAL CB C 38 30.800 30.800 31.416 -0.616 18156 9859 1 20 . 1 1 38 38 VAL H H 38 9.130 9.130 8.290 0.840 18156 9860 1 20 . 1 1 39 39 VAL N N 39 131.700 131.700 129.236 2.464 18156 9861 1 20 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.674 0.506 18156 9862 1 20 . 1 1 39 39 VAL C C 39 175.600 175.600 175.782 -0.182 18156 9863 1 20 . 1 1 39 39 VAL CA C 39 61.700 61.700 62.018 -0.318 18156 9864 1 20 . 1 1 39 39 VAL CB C 39 30.800 30.800 29.744 1.056 18156 9865 1 20 . 1 1 39 39 VAL H H 39 9.040 9.040 7.554 1.486 18156 9866 1 20 . 1 1 40 40 ASN N N 40 125.000 125.000 124.904 0.096 18156 9867 1 20 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.243 0.217 18156 9868 1 20 . 1 1 40 40 ASN C C 40 173.300 173.300 174.632 -1.332 18156 9869 1 20 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.727 -0.627 18156 9870 1 20 . 1 1 40 40 ASN CB C 40 37.000 37.000 36.094 0.906 18156 9871 1 20 . 1 1 40 40 ASN H H 40 9.060 9.060 8.903 0.157 18156 9872 1 20 . 1 1 41 41 LYS N N 41 109.900 109.900 111.267 -1.367 18156 9873 1 20 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.724 -0.484 18156 9874 1 20 . 1 1 41 41 LYS C C 41 175.000 175.000 176.658 -1.658 18156 9875 1 20 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.774 -0.474 18156 9876 1 20 . 1 1 41 41 LYS CB C 41 30.600 30.600 31.085 -0.485 18156 9877 1 20 . 1 1 41 41 LYS H H 41 9.250 9.250 7.532 1.718 18156 9878 1 20 . 1 1 42 42 ARG N N 42 115.800 115.800 116.390 -0.590 18156 9879 1 20 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.200 0.510 18156 9880 1 20 . 1 1 42 42 ARG C C 42 174.900 174.900 176.668 -1.768 18156 9881 1 20 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.001 -0.801 18156 9882 1 20 . 1 1 42 42 ARG CB C 42 34.200 34.200 31.027 3.173 18156 9883 1 20 . 1 1 42 42 ARG H H 42 8.110 8.110 7.645 0.465 18156 9884 1 20 . 1 1 43 43 PHE N N 43 115.100 115.100 112.699 2.401 18156 9885 1 20 . 1 1 43 43 PHE HA H 43 5.160 5.160 5.014 0.146 18156 9886 1 20 . 1 1 43 43 PHE C C 43 171.200 171.200 173.229 -2.029 18156 9887 1 20 . 1 1 43 43 PHE CA C 43 55.700 55.700 55.965 -0.265 18156 9888 1 20 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.373 -0.273 18156 9889 1 20 . 1 1 43 43 PHE H H 43 7.610 7.610 7.195 0.415 18156 9890 1 20 . 1 1 44 44 VAL N N 44 121.200 121.200 120.000 1.200 18156 9891 1 20 . 1 1 44 44 VAL HA H 44 4.590 4.590 3.950 0.640 18156 9892 1 20 . 1 1 44 44 VAL C C 44 174.600 174.600 174.513 0.087 18156 9893 1 20 . 1 1 44 44 VAL CA C 44 59.800 59.800 61.362 -1.562 18156 9894 1 20 . 1 1 44 44 VAL CB C 44 32.900 32.900 32.329 0.571 18156 9895 1 20 . 1 1 44 44 VAL H H 44 9.030 9.030 8.446 0.584 18156 9896 1 20 . 1 1 45 45 ARG N N 45 125.000 125.000 127.752 -2.752 18156 9897 1 20 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.691 0.269 18156 9898 1 20 . 1 1 45 45 ARG C C 45 175.400 175.400 175.031 0.369 18156 9899 1 20 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.554 0.446 18156 9900 1 20 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.674 0.526 18156 9901 1 20 . 1 1 45 45 ARG H H 45 9.320 9.320 8.449 0.871 18156 9902 1 20 . 1 1 46 46 VAL N N 46 127.200 127.200 129.720 -2.520 18156 9903 1 20 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.049 0.061 18156 9904 1 20 . 1 1 46 46 VAL C C 46 174.700 174.700 175.054 -0.354 18156 9905 1 20 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.440 -0.240 18156 9906 1 20 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.571 1.529 18156 9907 1 20 . 1 1 46 46 VAL H H 46 8.770 8.770 8.578 0.192 18156 9908 1 20 . 1 1 47 47 THR N N 47 120.800 120.800 123.968 -3.168 18156 9909 1 20 . 1 1 47 47 THR HA H 47 4.700 4.700 4.416 0.284 18156 9910 1 20 . 1 1 47 47 THR C C 47 174.500 174.500 174.081 0.419 18156 9911 1 20 . 1 1 47 47 THR CA C 47 61.300 61.300 62.344 -1.044 18156 9912 1 20 . 1 1 47 47 THR CB C 47 69.800 69.800 69.674 0.126 18156 9913 1 20 . 1 1 47 47 THR H H 47 8.110 8.110 8.132 -0.022 18156 9914 1 20 . 1 1 48 48 PHE N N 48 125.700 125.700 126.019 -0.319 18156 9915 1 20 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.203 0.147 18156 9916 1 20 . 1 1 48 48 PHE C C 48 176.000 176.000 177.023 -1.023 18156 9917 1 20 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.906 -0.606 18156 9918 1 20 . 1 1 48 48 PHE CB C 48 41.400 41.400 39.759 1.641 18156 9919 1 20 . 1 1 48 48 PHE H H 48 9.000 9.000 8.763 0.237 18156 9920 1 20 . 1 1 49 49 THR N N 49 118.900 118.900 120.071 -1.171 18156 9921 1 20 . 1 1 49 49 THR HA H 49 4.330 4.330 4.733 -0.403 18156 9922 1 20 . 1 1 49 49 THR CA C 49 61.200 61.200 60.376 0.824 18156 9923 1 20 . 1 1 49 49 THR CB C 49 69.400 69.400 70.193 -0.793 18156 9924 1 20 . 1 1 49 49 THR H H 49 8.620 8.620 8.764 -0.144 18156 9925 1 20 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.370 -0.010 18156 9926 1 20 . 1 1 50 50 PRO C C 50 177.700 177.700 177.528 0.172 18156 9927 1 20 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.200 0.300 18156 9928 1 20 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.260 0.540 18156 9929 1 20 . 1 1 51 51 GLY N N 51 111.300 111.300 112.355 -1.055 18156 9930 1 20 . 1 1 51 51 GLY C C 51 175.200 175.200 174.806 0.394 18156 9931 1 20 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.085 0.315 18156 9932 1 20 . 1 1 51 51 GLY H H 51 8.880 8.880 8.649 0.231 18156 9933 1 20 . 1 1 52 52 LYS N N 52 118.900 118.900 119.815 -0.915 18156 9934 1 20 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.651 -0.081 18156 9935 1 20 . 1 1 52 52 LYS C C 52 175.800 175.800 175.513 0.287 18156 9936 1 20 . 1 1 52 52 LYS CA C 52 54.800 54.800 55.322 -0.522 18156 9937 1 20 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.891 -1.291 18156 9938 1 20 . 1 1 52 52 LYS H H 52 8.110 8.110 8.341 -0.231 18156 9939 1 20 . 1 1 53 53 THR N N 53 114.700 114.700 118.209 -3.509 18156 9940 1 20 . 1 1 53 53 THR HA H 53 4.180 4.180 4.660 -0.480 18156 9941 1 20 . 1 1 53 53 THR CA C 53 60.400 60.400 60.020 0.380 18156 9942 1 20 . 1 1 53 53 THR CB C 53 69.100 69.100 68.881 0.219 18156 9943 1 20 . 1 1 53 53 THR H H 53 7.700 7.700 7.837 -0.137 18156 9944 1 20 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.462 -0.052 18156 9945 1 20 . 1 1 54 54 PRO C C 54 177.500 177.500 176.683 0.817 18156 9946 1 20 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.239 0.961 18156 9947 1 20 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.135 0.165 18156 9948 1 20 . 1 1 55 55 VAL N N 55 119.300 119.300 119.060 0.240 18156 9949 1 20 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.818 0.182 18156 9950 1 20 . 1 1 55 55 VAL C C 55 176.000 176.000 176.237 -0.237 18156 9951 1 20 . 1 1 55 55 VAL CA C 55 63.300 63.300 63.973 -0.673 18156 9952 1 20 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.506 0.894 18156 9953 1 20 . 1 1 55 55 VAL H H 55 8.190 8.190 8.215 -0.025 18156 9954 1 20 . 1 1 56 56 ASP N N 56 120.300 120.300 120.761 -0.461 18156 9955 1 20 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.599 -0.029 18156 9956 1 20 . 1 1 56 56 ASP C C 56 177.000 177.000 176.242 0.758 18156 9957 1 20 . 1 1 56 56 ASP CA C 56 54.300 54.300 53.236 1.064 18156 9958 1 20 . 1 1 56 56 ASP CB C 56 40.700 40.700 38.832 1.868 18156 9959 1 20 . 1 1 56 56 ASP H H 56 8.170 8.170 8.150 0.020 18156 9960 1 20 . 1 1 57 57 GLY N N 57 108.300 108.300 109.675 -1.375 18156 9961 1 20 . 1 1 57 57 GLY C C 57 173.700 173.700 173.313 0.387 18156 9962 1 20 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.611 1.189 18156 9963 1 20 . 1 1 57 57 GLY H H 57 8.110 8.110 8.226 -0.116 18156 9964 1 20 . 1 1 58 58 GLN N N 58 118.900 118.900 123.248 -4.348 18156 9965 1 20 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.265 0.235 18156 9966 1 20 . 1 1 58 58 GLN C C 58 175.700 175.700 175.265 0.435 18156 9967 1 20 . 1 1 58 58 GLN CA C 58 56.200 56.200 54.247 1.953 18156 9968 1 20 . 1 1 58 58 GLN CB C 58 30.200 30.200 29.467 0.733 18156 9969 1 20 . 1 1 58 58 GLN H H 58 8.070 8.070 7.500 0.570 18156 9970 1 20 . 1 1 59 59 TYR N N 59 118.800 118.800 124.455 -5.655 18156 9971 1 20 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.893 0.237 18156 9972 1 20 . 1 1 59 59 TYR C C 59 177.500 177.500 176.401 1.099 18156 9973 1 20 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.718 -2.018 18156 9974 1 20 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.050 0.250 18156 9975 1 20 . 1 1 59 59 TYR H H 59 8.110 8.110 7.739 0.371 18156 9976 1 20 . 1 1 60 60 VAL N N 60 115.600 115.600 117.577 -1.977 18156 9977 1 20 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.418 0.082 18156 9978 1 20 . 1 1 60 60 VAL C C 60 174.700 174.700 175.255 -0.555 18156 9979 1 20 . 1 1 60 60 VAL CA C 60 60.000 60.000 60.107 -0.107 18156 9980 1 20 . 1 1 60 60 VAL CB C 60 35.000 35.000 34.251 0.749 18156 9981 1 20 . 1 1 60 60 VAL H H 60 8.250 8.250 8.624 -0.374 18156 9982 1 20 . 1 1 61 61 TRP N N 61 120.800 120.800 121.173 -0.373 18156 9983 1 20 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.337 0.583 18156 9984 1 20 . 1 1 61 61 TRP C C 61 172.700 172.700 173.503 -0.803 18156 9985 1 20 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.620 -0.620 18156 9986 1 20 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.644 0.256 18156 9987 1 20 . 1 1 61 61 TRP H H 61 8.500 8.500 8.201 0.299 18156 9988 1 20 . 1 1 62 62 PHE N N 62 112.100 112.100 114.694 -2.594 18156 9989 1 20 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.861 0.179 18156 9990 1 20 . 1 1 62 62 PHE C C 62 174.800 174.800 173.587 1.213 18156 9991 1 20 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.762 -1.362 18156 9992 1 20 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.231 0.669 18156 9993 1 20 . 1 1 62 62 PHE H H 62 8.700 8.700 8.470 0.230 18156 9994 1 20 . 1 1 63 63 ASN N N 63 120.800 120.800 120.664 0.136 18156 9995 1 20 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.096 0.064 18156 9996 1 20 . 1 1 63 63 ASN C C 63 175.800 175.800 175.425 0.375 18156 9997 1 20 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.068 1.032 18156 9998 1 20 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.729 0.871 18156 9999 1 20 . 1 1 63 63 ASN H H 63 9.340 9.340 8.435 0.905 18156 10000 1 20 . 1 1 64 64 ILE N N 64 113.400 113.400 116.139 -2.739 18156 10001 1 20 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.588 0.062 18156 10002 1 20 . 1 1 64 64 ILE C C 64 175.300 175.300 175.079 0.221 18156 10003 1 20 . 1 1 64 64 ILE CA C 64 60.100 60.100 59.931 0.169 18156 10004 1 20 . 1 1 64 64 ILE CB C 64 42.100 42.100 41.087 1.013 18156 10005 1 20 . 1 1 64 64 ILE H H 64 7.820 7.820 7.890 -0.070 18156 10006 1 20 . 1 1 65 65 GLY N N 65 110.700 110.700 109.483 1.217 18156 10007 1 20 . 1 1 65 65 GLY C C 65 174.300 174.300 175.101 -0.801 18156 10008 1 20 . 1 1 65 65 GLY CA C 65 45.800 45.800 45.496 0.304 18156 10009 1 20 . 1 1 65 65 GLY H H 65 8.570 8.570 8.629 -0.059 18156 10010 1 20 . 1 1 66 66 SER N N 66 113.800 113.800 119.443 -5.643 18156 10011 1 20 . 1 1 66 66 SER HA H 66 4.730 4.730 4.880 -0.150 18156 10012 1 20 . 1 1 66 66 SER C C 66 175.500 175.500 174.454 1.046 18156 10013 1 20 . 1 1 66 66 SER CA C 66 56.800 56.800 57.366 -0.566 18156 10014 1 20 . 1 1 66 66 SER CB C 66 64.500 64.500 64.192 0.308 18156 10015 1 20 . 1 1 66 66 SER H H 66 7.680 7.680 8.146 -0.466 18156 10016 1 20 . 1 1 67 67 VAL N N 67 127.000 127.000 125.797 1.203 18156 10017 1 20 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.852 -0.032 18156 10018 1 20 . 1 1 67 67 VAL C C 67 176.700 176.700 177.153 -0.453 18156 10019 1 20 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.602 0.998 18156 10020 1 20 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.955 -0.255 18156 10021 1 20 . 1 1 67 67 VAL H H 67 9.150 9.150 8.619 0.531 18156 10022 1 20 . 1 1 68 68 ASP N N 68 118.800 118.800 117.683 1.117 18156 10023 1 20 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.690 -0.240 18156 10024 1 20 . 1 1 68 68 ASP C C 68 178.700 178.700 178.180 0.520 18156 10025 1 20 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.956 -0.656 18156 10026 1 20 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.405 0.295 18156 10027 1 20 . 1 1 68 68 ASP H H 68 8.320 8.320 8.625 -0.305 18156 10028 1 20 . 1 1 69 69 THR N N 69 114.500 114.500 115.566 -1.066 18156 10029 1 20 . 1 1 69 69 THR HA H 69 3.910 3.910 4.042 -0.132 18156 10030 1 20 . 1 1 69 69 THR C C 69 175.500 175.500 176.287 -0.787 18156 10031 1 20 . 1 1 69 69 THR CA C 69 65.600 65.600 65.801 -0.201 18156 10032 1 20 . 1 1 69 69 THR CB C 69 68.900 68.900 68.326 0.574 18156 10033 1 20 . 1 1 69 69 THR H H 69 7.710 7.710 8.029 -0.319 18156 10034 1 20 . 1 1 70 70 PHE N N 70 122.800 122.800 122.804 -0.004 18156 10035 1 20 . 1 1 70 70 PHE HA H 70 4.320 4.320 4.043 0.277 18156 10036 1 20 . 1 1 70 70 PHE C C 70 176.000 176.000 176.965 -0.965 18156 10037 1 20 . 1 1 70 70 PHE CA C 70 60.500 60.500 60.978 -0.478 18156 10038 1 20 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.789 0.311 18156 10039 1 20 . 1 1 70 70 PHE H H 70 7.680 7.680 7.969 -0.289 18156 10040 1 20 . 1 1 71 71 GLU N N 71 118.400 118.400 118.991 -0.591 18156 10041 1 20 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.563 -0.193 18156 10042 1 20 . 1 1 71 71 GLU C C 71 179.900 179.900 178.859 1.041 18156 10043 1 20 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.866 0.334 18156 10044 1 20 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.531 -0.331 18156 10045 1 20 . 1 1 71 71 GLU H H 71 8.660 8.660 8.245 0.415 18156 10046 1 20 . 1 1 72 72 ARG N N 72 119.500 119.500 118.756 0.744 18156 10047 1 20 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.023 0.137 18156 10048 1 20 . 1 1 72 72 ARG C C 72 179.200 179.200 178.490 0.710 18156 10049 1 20 . 1 1 72 72 ARG CA C 72 59.100 59.100 58.460 0.640 18156 10050 1 20 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.355 0.746 18156 10051 1 20 . 1 1 72 72 ARG H H 72 7.960 7.960 7.909 0.051 18156 10052 1 20 . 1 1 73 73 ASN N N 73 119.900 119.900 118.637 1.263 18156 10053 1 20 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.566 -0.056 18156 10054 1 20 . 1 1 73 73 ASN C C 73 178.100 178.100 177.430 0.670 18156 10055 1 20 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.278 0.222 18156 10056 1 20 . 1 1 73 73 ASN CB C 73 37.400 37.400 37.564 -0.164 18156 10057 1 20 . 1 1 73 73 ASN H H 73 8.610 8.610 8.223 0.387 18156 10058 1 20 . 1 1 74 74 LEU N N 74 121.900 121.900 121.961 -0.061 18156 10059 1 20 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.381 -0.131 18156 10060 1 20 . 1 1 74 74 LEU C C 74 179.100 179.100 178.515 0.585 18156 10061 1 20 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.345 -0.045 18156 10062 1 20 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.725 0.075 18156 10063 1 20 . 1 1 74 74 LEU H H 74 8.720 8.720 7.734 0.986 18156 10064 1 20 . 1 1 75 75 GLU N N 75 120.700 120.700 118.811 1.889 18156 10065 1 20 . 1 1 75 75 GLU HA H 75 4.110 4.110 3.974 0.136 18156 10066 1 20 . 1 1 75 75 GLU C C 75 178.900 178.900 179.384 -0.484 18156 10067 1 20 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.610 0.290 18156 10068 1 20 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.110 0.190 18156 10069 1 20 . 1 1 75 75 GLU H H 75 8.070 8.070 8.342 -0.272 18156 10070 1 20 . 1 1 76 76 THR N N 76 115.700 115.700 117.764 -2.064 18156 10071 1 20 . 1 1 76 76 THR HA H 76 4.000 4.000 4.318 -0.318 18156 10072 1 20 . 1 1 76 76 THR C C 76 176.600 176.600 176.930 -0.330 18156 10073 1 20 . 1 1 76 76 THR CA C 76 66.500 66.500 66.083 0.417 18156 10074 1 20 . 1 1 76 76 THR CB C 76 69.000 69.000 68.891 0.109 18156 10075 1 20 . 1 1 76 76 THR H H 76 8.400 8.400 7.848 0.552 18156 10076 1 20 . 1 1 77 77 LEU N N 77 122.200 122.200 122.882 -0.682 18156 10077 1 20 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.363 -0.103 18156 10078 1 20 . 1 1 77 77 LEU C C 77 179.200 179.200 178.917 0.283 18156 10079 1 20 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.361 -1.061 18156 10080 1 20 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.480 0.420 18156 10081 1 20 . 1 1 77 77 LEU H H 77 8.330 8.330 8.332 -0.002 18156 10082 1 20 . 1 1 78 78 GLN N N 78 115.700 115.700 117.527 -1.827 18156 10083 1 20 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.918 -0.038 18156 10084 1 20 . 1 1 78 78 GLN C C 78 177.600 177.600 178.586 -0.986 18156 10085 1 20 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.151 2.149 18156 10086 1 20 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.599 0.801 18156 10087 1 20 . 1 1 78 78 GLN H H 78 8.200 8.200 8.079 0.121 18156 10088 1 20 . 1 1 79 79 GLN N N 79 118.400 118.400 118.439 -0.039 18156 10089 1 20 . 1 1 79 79 GLN HA H 79 4.140 4.140 3.987 0.153 18156 10090 1 20 . 1 1 79 79 GLN C C 79 180.000 180.000 178.687 1.313 18156 10091 1 20 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.869 0.331 18156 10092 1 20 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.615 -0.415 18156 10093 1 20 . 1 1 79 79 GLN H H 79 7.980 7.980 7.857 0.123 18156 10094 1 20 . 1 1 80 80 GLU N N 80 121.700 121.700 120.165 1.535 18156 10095 1 20 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.076 -0.026 18156 10096 1 20 . 1 1 80 80 GLU C C 80 178.800 178.800 178.588 0.212 18156 10097 1 20 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.810 0.490 18156 10098 1 20 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.687 -0.087 18156 10099 1 20 . 1 1 80 80 GLU H H 80 8.400 8.400 7.934 0.466 18156 10100 1 20 . 1 1 81 81 LEU N N 81 117.200 117.200 116.251 0.949 18156 10101 1 20 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.335 -0.035 18156 10102 1 20 . 1 1 81 81 LEU C C 81 177.400 177.400 177.846 -0.446 18156 10103 1 20 . 1 1 81 81 LEU CA C 81 55.100 55.100 54.882 0.218 18156 10104 1 20 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.282 0.518 18156 10105 1 20 . 1 1 81 81 LEU H H 81 8.120 8.120 7.846 0.274 18156 10106 1 20 . 1 1 82 82 GLY N N 82 108.900 108.900 107.576 1.324 18156 10107 1 20 . 1 1 82 82 GLY C C 82 174.600 174.600 174.682 -0.082 18156 10108 1 20 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.391 0.909 18156 10109 1 20 . 1 1 82 82 GLY H H 82 7.840 7.840 7.529 0.311 18156 10110 1 20 . 1 1 83 83 ILE N N 83 121.900 121.900 123.411 -1.511 18156 10111 1 20 . 1 1 83 83 ILE HA H 83 4.000 4.000 4.001 -0.001 18156 10112 1 20 . 1 1 83 83 ILE C C 83 175.300 175.300 174.773 0.527 18156 10113 1 20 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.619 -1.119 18156 10114 1 20 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.950 -0.150 18156 10115 1 20 . 1 1 83 83 ILE H H 83 8.250 8.250 7.790 0.460 18156 10116 1 20 . 1 1 84 84 GLU N N 84 126.600 126.600 125.307 1.293 18156 10117 1 20 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.456 0.044 18156 10118 1 20 . 1 1 84 84 GLU C C 84 177.400 177.400 175.772 1.628 18156 10119 1 20 . 1 1 84 84 GLU CA C 84 55.300 55.300 55.170 0.130 18156 10120 1 20 . 1 1 84 84 GLU CB C 84 32.600 32.600 31.539 1.061 18156 10121 1 20 . 1 1 84 84 GLU H H 84 8.760 8.760 7.875 0.885 18156 10122 1 20 . 1 1 85 85 GLY N N 85 109.400 109.400 110.095 -0.695 18156 10123 1 20 . 1 1 85 85 GLY C C 85 176.600 176.600 175.544 1.056 18156 10124 1 20 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.286 1.114 18156 10125 1 20 . 1 1 85 85 GLY H H 85 8.870 8.870 8.690 0.180 18156 10126 1 20 . 1 1 86 86 GLU N N 86 123.900 123.900 124.784 -0.884 18156 10127 1 20 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.212 0.038 18156 10128 1 20 . 1 1 86 86 GLU C C 86 176.200 176.200 177.073 -0.873 18156 10129 1 20 . 1 1 86 86 GLU CA C 86 57.800 57.800 57.974 -0.174 18156 10130 1 20 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.684 -0.584 18156 10131 1 20 . 1 1 86 86 GLU H H 86 9.240 9.240 8.709 0.531 18156 10132 1 20 . 1 1 87 87 ASN N N 87 115.900 115.900 116.279 -0.379 18156 10133 1 20 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.700 0.130 18156 10134 1 20 . 1 1 87 87 ASN C C 87 174.600 174.600 174.779 -0.179 18156 10135 1 20 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.779 -0.579 18156 10136 1 20 . 1 1 87 87 ASN CB C 87 39.400 39.400 38.589 0.811 18156 10137 1 20 . 1 1 87 87 ASN H H 87 8.050 8.050 7.821 0.229 18156 10138 1 20 . 1 1 88 88 ARG N N 88 119.300 119.300 119.507 -0.207 18156 10139 1 20 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.415 -0.365 18156 10140 1 20 . 1 1 88 88 ARG C C 88 176.600 176.600 175.049 1.551 18156 10141 1 20 . 1 1 88 88 ARG CA C 88 56.600 56.600 55.664 0.936 18156 10142 1 20 . 1 1 88 88 ARG CB C 88 30.600 30.600 31.398 -0.798 18156 10143 1 20 . 1 1 88 88 ARG H H 88 7.230 7.230 7.125 0.105 18156 10144 1 20 . 1 1 89 89 VAL N N 89 124.700 124.700 121.270 3.430 18156 10145 1 20 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.418 -0.128 18156 10146 1 20 . 1 1 89 89 VAL CA C 89 60.000 60.000 59.656 0.344 18156 10147 1 20 . 1 1 89 89 VAL CB C 89 33.100 33.100 32.176 0.924 18156 10148 1 20 . 1 1 89 89 VAL H H 89 8.780 8.780 8.352 0.428 18156 10149 1 20 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.568 -0.058 18156 10150 1 20 . 1 1 90 90 PRO C C 90 175.100 175.100 175.226 -0.126 18156 10151 1 20 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.188 0.912 18156 10152 1 20 . 1 1 90 90 PRO CB C 90 32.600 32.600 33.371 -0.771 18156 10153 1 20 . 1 1 91 91 VAL N N 91 121.600 121.600 120.400 1.200 18156 10154 1 20 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.436 0.374 18156 10155 1 20 . 1 1 91 91 VAL C C 91 176.100 176.100 175.884 0.216 18156 10156 1 20 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.592 -0.292 18156 10157 1 20 . 1 1 91 91 VAL CB C 91 34.200 34.200 33.416 0.784 18156 10158 1 20 . 1 1 91 91 VAL H H 91 8.030 8.030 8.257 -0.227 18156 10159 1 20 . 1 1 92 92 VAL N N 92 124.800 124.800 128.224 -3.424 18156 10160 1 20 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.239 0.301 18156 10161 1 20 . 1 1 92 92 VAL C C 92 173.600 173.600 174.640 -1.040 18156 10162 1 20 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.203 -1.503 18156 10163 1 20 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.282 2.618 18156 10164 1 20 . 1 1 92 92 VAL H H 92 8.640 8.640 8.411 0.229 18156 10165 1 20 . 1 1 93 93 TYR N N 93 124.700 124.700 127.238 -2.538 18156 10166 1 20 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.480 0.450 18156 10167 1 20 . 1 1 93 93 TYR C C 93 175.700 175.700 175.869 -0.169 18156 10168 1 20 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.107 -0.707 18156 10169 1 20 . 1 1 93 93 TYR CB C 93 38.500 38.500 36.939 1.561 18156 10170 1 20 . 1 1 93 93 TYR H H 93 8.800 8.800 8.436 0.364 18156 10171 1 20 . 1 1 94 94 ILE N N 94 123.100 123.100 125.746 -2.646 18156 10172 1 20 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.056 0.454 18156 10173 1 20 . 1 1 94 94 ILE C C 94 173.700 173.700 175.619 -1.919 18156 10174 1 20 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.457 -1.257 18156 10175 1 20 . 1 1 94 94 ILE CB C 94 41.500 41.500 37.217 4.284 18156 10176 1 20 . 1 1 94 94 ILE H H 94 9.000 9.000 7.877 1.123 18156 10177 1 20 . 1 1 95 95 ALA N N 95 128.000 128.000 130.854 -2.854 18156 10178 1 20 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.628 0.362 18156 10179 1 20 . 1 1 95 95 ALA C C 95 177.000 177.000 176.208 0.792 18156 10180 1 20 . 1 1 95 95 ALA CA C 95 50.500 50.500 50.869 -0.369 18156 10181 1 20 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.228 1.172 18156 10182 1 20 . 1 1 95 95 ALA H H 95 8.450 8.450 8.674 -0.224 18156 10183 1 20 . 1 1 96 96 GLU N N 96 122.200 122.200 122.598 -0.398 18156 10184 1 20 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.583 -0.063 18156 10185 1 20 . 1 1 96 96 GLU C C 96 176.000 176.000 174.287 1.713 18156 10186 1 20 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.311 -0.811 18156 10187 1 20 . 1 1 96 96 GLU CB C 96 32.800 32.800 31.286 1.514 18156 10188 1 20 . 1 1 96 96 GLU H H 96 8.850 8.850 8.448 0.402 18156 10189 1 20 . 1 1 97 97 SER N N 97 118.600 118.600 118.579 0.021 18156 10190 1 20 . 1 1 97 97 SER HA H 97 4.430 4.430 4.628 -0.198 18156 10191 1 20 . 1 1 97 97 SER C C 97 174.200 174.200 174.025 0.175 18156 10192 1 20 . 1 1 97 97 SER CA C 97 58.500 58.500 58.004 0.496 18156 10193 1 20 . 1 1 97 97 SER CB C 97 63.800 63.800 65.080 -1.280 18156 10194 1 20 . 1 1 97 97 SER H H 97 8.650 8.650 8.140 0.510 18156 10195 1 20 . 1 1 98 98 ASP N N 98 123.200 123.200 123.157 0.043 18156 10196 1 20 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.944 -0.274 18156 10197 1 20 . 1 1 98 98 ASP C C 98 175.500 175.500 176.441 -0.941 18156 10198 1 20 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.388 0.012 18156 10199 1 20 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.247 0.153 18156 10200 1 20 . 1 1 98 98 ASP H H 98 8.500 8.500 8.993 -0.493 18156 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 85 2.531 0.613 2.471 18156 2 1 1 "Average Difference" HA 82 0.255 -0.104 0.234 18156 3 1 1 "Average Difference" C 86 0.857 0.242 0.827 18156 4 1 1 "Average Difference" CA 90 0.968 0.332 0.914 18156 5 1 1 "Average Difference" CB 82 1.089 -0.550 0.946 18156 6 1 1 "Average Difference" HN 85 0.493 -0.200 0.453 18156 7 1 2 "Average Difference" N 85 2.260 0.666 2.172 18156 8 1 2 "Average Difference" HA 82 0.294 -0.090 0.282 18156 9 1 2 "Average Difference" C 86 0.815 0.103 0.813 18156 10 1 2 "Average Difference" CA 90 0.986 0.196 0.972 18156 11 1 2 "Average Difference" CB 82 1.085 -0.457 0.990 18156 12 1 2 "Average Difference" HN 85 0.460 -0.158 0.434 18156 13 1 3 "Average Difference" N 85 2.582 0.693 2.502 18156 14 1 3 "Average Difference" HA 82 0.238 -0.070 0.229 18156 15 1 3 "Average Difference" C 86 0.947 0.162 0.938 18156 16 1 3 "Average Difference" CA 90 0.929 0.220 0.908 18156 17 1 3 "Average Difference" CB 82 0.999 -0.437 0.904 18156 18 1 3 "Average Difference" HN 85 0.440 -0.152 0.416 18156 19 1 4 "Average Difference" N 85 2.549 0.700 2.466 18156 20 1 4 "Average Difference" HA 82 0.242 -0.054 0.237 18156 21 1 4 "Average Difference" C 86 0.879 0.142 0.872 18156 22 1 4 "Average Difference" CA 90 0.897 0.177 0.885 18156 23 1 4 "Average Difference" CB 82 1.009 -0.476 0.895 18156 24 1 4 "Average Difference" HN 85 0.477 -0.186 0.442 18156 25 1 5 "Average Difference" N 85 2.496 0.578 2.443 18156 26 1 5 "Average Difference" HA 82 0.266 -0.092 0.251 18156 27 1 5 "Average Difference" C 86 0.836 0.246 0.804 18156 28 1 5 "Average Difference" CA 90 1.000 0.324 0.951 18156 29 1 5 "Average Difference" CB 82 1.139 -0.543 1.008 18156 30 1 5 "Average Difference" HN 85 0.487 -0.175 0.457 18156 31 1 6 "Average Difference" N 85 2.306 0.788 2.180 18156 32 1 6 "Average Difference" HA 82 0.223 -0.035 0.221 18156 33 1 6 "Average Difference" C 86 0.836 0.223 0.810 18156 34 1 6 "Average Difference" CA 90 0.869 0.227 0.843 18156 35 1 6 "Average Difference" CB 82 0.983 -0.421 0.893 18156 36 1 6 "Average Difference" HN 85 0.413 -0.157 0.384 18156 37 1 7 "Average Difference" N 85 2.653 0.858 2.526 18156 38 1 7 "Average Difference" HA 82 0.287 -0.072 0.279 18156 39 1 7 "Average Difference" C 86 0.888 0.137 0.883 18156 40 1 7 "Average Difference" CA 90 0.934 0.202 0.917 18156 41 1 7 "Average Difference" CB 82 0.998 -0.405 0.917 18156 42 1 7 "Average Difference" HN 85 0.473 -0.172 0.444 18156 43 1 8 "Average Difference" N 85 2.685 0.493 2.655 18156 44 1 8 "Average Difference" HA 82 0.228 -0.040 0.226 18156 45 1 8 "Average Difference" C 86 0.878 0.120 0.875 18156 46 1 8 "Average Difference" CA 90 0.973 0.075 0.976 18156 47 1 8 "Average Difference" CB 82 0.925 -0.288 0.885 18156 48 1 8 "Average Difference" HN 85 0.448 -0.156 0.422 18156 49 1 9 "Average Difference" N 85 2.682 0.843 2.561 18156 50 1 9 "Average Difference" HA 82 0.255 -0.054 0.251 18156 51 1 9 "Average Difference" C 86 0.861 0.094 0.861 18156 52 1 9 "Average Difference" CA 90 0.921 0.136 0.916 18156 53 1 9 "Average Difference" CB 82 1.008 -0.387 0.937 18156 54 1 9 "Average Difference" HN 85 0.444 -0.207 0.396 18156 55 1 10 "Average Difference" N 85 2.612 1.051 2.405 18156 56 1 10 "Average Difference" HA 82 0.274 -0.030 0.274 18156 57 1 10 "Average Difference" C 86 0.847 0.201 0.828 18156 58 1 10 "Average Difference" CA 90 0.963 0.198 0.948 18156 59 1 10 "Average Difference" CB 82 1.121 -0.428 1.042 18156 60 1 10 "Average Difference" HN 85 0.448 -0.145 0.426 18156 61 1 11 "Average Difference" N 85 2.616 0.863 2.485 18156 62 1 11 "Average Difference" HA 82 0.264 -0.080 0.253 18156 63 1 11 "Average Difference" C 86 0.817 0.177 0.802 18156 64 1 11 "Average Difference" CA 90 0.993 0.217 0.975 18156 65 1 11 "Average Difference" CB 82 0.951 -0.402 0.867 18156 66 1 11 "Average Difference" HN 85 0.434 -0.169 0.402 18156 67 1 12 "Average Difference" N 85 2.554 0.530 2.513 18156 68 1 12 "Average Difference" HA 82 0.224 -0.041 0.222 18156 69 1 12 "Average Difference" C 86 0.918 0.199 0.902 18156 70 1 12 "Average Difference" CA 90 1.028 0.220 1.010 18156 71 1 12 "Average Difference" CB 82 1.001 -0.379 0.932 18156 72 1 12 "Average Difference" HN 85 0.431 -0.188 0.390 18156 73 1 13 "Average Difference" N 85 2.295 0.520 2.249 18156 74 1 13 "Average Difference" HA 82 0.244 -0.068 0.235 18156 75 1 13 "Average Difference" C 86 0.822 0.187 0.805 18156 76 1 13 "Average Difference" CA 90 0.878 0.207 0.858 18156 77 1 13 "Average Difference" CB 82 1.056 -0.524 0.922 18156 78 1 13 "Average Difference" HN 85 0.414 -0.155 0.386 18156 79 1 14 "Average Difference" N 85 2.620 0.706 2.538 18156 80 1 14 "Average Difference" HA 82 0.271 -0.039 0.270 18156 81 1 14 "Average Difference" C 86 0.839 0.158 0.829 18156 82 1 14 "Average Difference" CA 90 0.933 0.200 0.917 18156 83 1 14 "Average Difference" CB 82 1.058 -0.445 0.966 18156 84 1 14 "Average Difference" HN 85 0.458 -0.162 0.431 18156 85 1 15 "Average Difference" N 85 2.402 0.705 2.310 18156 86 1 15 "Average Difference" HA 82 0.248 -0.044 0.246 18156 87 1 15 "Average Difference" C 86 0.840 0.035 0.844 18156 88 1 15 "Average Difference" CA 90 0.867 0.166 0.856 18156 89 1 15 "Average Difference" CB 82 0.865 -0.265 0.829 18156 90 1 15 "Average Difference" HN 85 0.458 -0.171 0.428 18156 91 1 16 "Average Difference" N 85 2.444 0.418 2.423 18156 92 1 16 "Average Difference" HA 82 0.264 -0.088 0.250 18156 93 1 16 "Average Difference" C 86 0.832 0.132 0.827 18156 94 1 16 "Average Difference" CA 90 0.938 0.092 0.939 18156 95 1 16 "Average Difference" CB 82 1.012 -0.372 0.947 18156 96 1 16 "Average Difference" HN 85 0.452 -0.182 0.416 18156 97 1 17 "Average Difference" N 85 2.343 0.538 2.294 18156 98 1 17 "Average Difference" HA 82 0.283 -0.071 0.276 18156 99 1 17 "Average Difference" C 86 0.859 0.182 0.845 18156 100 1 17 "Average Difference" CA 90 0.951 0.198 0.935 18156 101 1 17 "Average Difference" CB 82 1.076 -0.480 0.969 18156 102 1 17 "Average Difference" HN 85 0.446 -0.180 0.411 18156 103 1 18 "Average Difference" N 85 2.474 0.739 2.375 18156 104 1 18 "Average Difference" HA 82 0.261 -0.048 0.258 18156 105 1 18 "Average Difference" C 86 0.862 0.127 0.857 18156 106 1 18 "Average Difference" CA 90 0.889 0.137 0.884 18156 107 1 18 "Average Difference" CB 82 0.948 -0.424 0.853 18156 108 1 18 "Average Difference" HN 85 0.466 -0.183 0.431 18156 109 1 19 "Average Difference" N 85 2.442 0.966 2.256 18156 110 1 19 "Average Difference" HA 82 0.272 -0.051 0.269 18156 111 1 19 "Average Difference" C 86 0.821 0.199 0.801 18156 112 1 19 "Average Difference" CA 90 1.029 0.280 0.996 18156 113 1 19 "Average Difference" CB 82 0.966 -0.369 0.898 18156 114 1 19 "Average Difference" HN 85 0.466 -0.179 0.433 18156 115 1 20 "Average Difference" N 85 2.154 0.741 2.035 18156 116 1 20 "Average Difference" HA 82 0.264 -0.018 0.265 18156 117 1 20 "Average Difference" C 86 0.840 0.089 0.840 18156 118 1 20 "Average Difference" CA 90 0.914 0.115 0.912 18156 119 1 20 "Average Difference" CB 82 1.038 -0.425 0.953 18156 120 1 20 "Average Difference" HN 85 0.486 -0.192 0.450 18156 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 18156 _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 GLY CA C 2 43.500 43.500 45.170 -1.670 18156 2 1 . 1 1 10 10 HIS HA H 10 4.590 4.590 4.636 -0.046 18156 3 1 . 1 1 10 10 HIS C C 10 175.500 175.500 175.014 0.486 18156 4 1 . 1 1 10 10 HIS CA C 10 56.500 56.500 55.800 0.700 18156 5 1 . 1 1 10 10 HIS CB C 10 30.200 30.200 29.961 0.239 18156 6 1 . 1 1 11 11 MET N N 11 120.900 120.900 121.329 -0.428 18156 7 1 . 1 1 11 11 MET HA H 11 4.290 4.290 4.276 0.014 18156 8 1 . 1 1 11 11 MET C C 11 176.300 176.300 175.862 0.438 18156 9 1 . 1 1 11 11 MET CA C 11 55.900 55.900 56.016 -0.116 18156 10 1 . 1 1 11 11 MET CB C 11 32.700 32.700 32.573 0.127 18156 11 1 . 1 1 11 11 MET H H 11 8.210 8.210 8.247 -0.037 18156 12 1 . 1 1 12 12 LYS N N 12 122.100 122.100 122.644 -0.544 18156 13 1 . 1 1 12 12 LYS HA H 12 4.130 4.130 4.238 -0.108 18156 14 1 . 1 1 12 12 LYS C C 12 176.700 176.700 176.374 0.326 18156 15 1 . 1 1 12 12 LYS CA C 12 56.800 56.800 56.686 0.114 18156 16 1 . 1 1 12 12 LYS CB C 12 32.800 32.800 32.033 0.767 18156 17 1 . 1 1 12 12 LYS H H 12 8.300 8.300 8.287 0.013 18156 18 1 . 1 1 13 13 ARG N N 13 121.500 121.500 122.553 -1.053 18156 19 1 . 1 1 13 13 ARG HA H 13 4.270 4.270 4.299 -0.029 18156 20 1 . 1 1 13 13 ARG C C 13 176.200 176.200 175.751 0.449 18156 21 1 . 1 1 13 13 ARG CA C 13 56.200 56.200 56.508 -0.308 18156 22 1 . 1 1 13 13 ARG CB C 13 30.800 30.800 30.105 0.695 18156 23 1 . 1 1 13 13 ARG H H 13 8.160 8.160 8.375 -0.215 18156 24 1 . 1 1 14 14 SER N N 14 116.700 116.700 116.651 0.049 18156 25 1 . 1 1 14 14 SER HA H 14 4.530 4.530 4.397 0.133 18156 26 1 . 1 1 14 14 SER C C 14 173.600 173.600 174.193 -0.593 18156 27 1 . 1 1 14 14 SER CA C 14 58.300 58.300 58.793 -0.493 18156 28 1 . 1 1 14 14 SER CB C 14 64.100 64.100 63.488 0.612 18156 29 1 . 1 1 14 14 SER H H 14 8.160 8.160 8.335 -0.175 18156 30 1 . 1 1 15 15 GLY N N 15 109.300 109.300 110.171 -0.871 18156 31 1 . 1 1 15 15 GLY C C 15 173.000 173.000 173.370 -0.370 18156 32 1 . 1 1 15 15 GLY CA C 15 44.700 44.700 45.133 -0.433 18156 33 1 . 1 1 15 15 GLY H H 15 8.100 8.100 8.000 0.100 18156 34 1 . 1 1 16 16 ARG N N 16 122.300 122.300 122.515 -0.215 18156 35 1 . 1 1 16 16 ARG HA H 16 4.530 4.530 4.569 -0.039 18156 36 1 . 1 1 16 16 ARG C C 16 173.200 173.200 174.974 -1.774 18156 37 1 . 1 1 16 16 ARG CA C 16 55.300 55.300 54.665 0.635 18156 38 1 . 1 1 16 16 ARG CB C 16 32.900 32.900 31.876 1.024 18156 39 1 . 1 1 16 16 ARG H H 16 8.460 8.460 8.342 0.118 18156 40 1 . 1 1 17 17 GLU N N 17 126.800 126.800 127.207 -0.407 18156 41 1 . 1 1 17 17 GLU HA H 17 3.220 3.220 3.932 -0.712 18156 42 1 . 1 1 17 17 GLU C C 17 177.000 177.000 176.233 0.767 18156 43 1 . 1 1 17 17 GLU CA C 17 55.000 55.000 55.781 -0.781 18156 44 1 . 1 1 17 17 GLU CB C 17 30.100 30.100 29.496 0.604 18156 45 1 . 1 1 17 17 GLU H H 17 8.190 8.190 8.528 -0.338 18156 46 1 . 1 1 18 18 ILE N N 18 122.600 122.600 122.459 0.141 18156 47 1 . 1 1 18 18 ILE HA H 18 4.960 4.960 4.674 0.286 18156 48 1 . 1 1 18 18 ILE C C 18 174.600 174.600 175.004 -0.404 18156 49 1 . 1 1 18 18 ILE CA C 18 59.200 59.200 59.035 0.166 18156 50 1 . 1 1 18 18 ILE CB C 18 41.900 41.900 40.842 1.058 18156 51 1 . 1 1 18 18 ILE H H 18 8.870 8.870 8.506 0.364 18156 52 1 . 1 1 19 19 THR N N 19 108.700 108.700 110.752 -2.052 18156 53 1 . 1 1 19 19 THR HA H 19 4.760 4.760 4.665 0.095 18156 54 1 . 1 1 19 19 THR C C 19 175.400 175.400 175.572 -0.172 18156 55 1 . 1 1 19 19 THR CA C 19 59.800 59.800 59.971 -0.171 18156 56 1 . 1 1 19 19 THR CB C 19 72.100 72.100 71.617 0.483 18156 57 1 . 1 1 19 19 THR H H 19 8.140 8.140 8.229 -0.089 18156 58 1 . 1 1 20 20 TRP N N 20 121.900 121.900 124.282 -2.382 18156 59 1 . 1 1 20 20 TRP HA H 20 3.900 3.900 3.890 0.010 18156 60 1 . 1 1 20 20 TRP C C 20 176.600 176.600 177.142 -0.542 18156 61 1 . 1 1 20 20 TRP CA C 20 60.000 60.000 60.804 -0.804 18156 62 1 . 1 1 20 20 TRP CB C 20 29.300 29.300 29.600 -0.300 18156 63 1 . 1 1 20 20 TRP H H 20 9.060 9.060 8.804 0.256 18156 64 1 . 1 1 21 21 LYS N N 21 116.900 116.900 118.578 -1.678 18156 65 1 . 1 1 21 21 LYS HA H 21 3.660 3.660 3.822 -0.162 18156 66 1 . 1 1 21 21 LYS C C 21 178.200 178.200 178.164 0.036 18156 67 1 . 1 1 21 21 LYS CA C 21 59.700 59.700 59.701 -0.001 18156 68 1 . 1 1 21 21 LYS CB C 21 32.200 32.200 31.872 0.328 18156 69 1 . 1 1 21 21 LYS H H 21 8.320 8.320 8.195 0.125 18156 70 1 . 1 1 22 22 ASP N N 22 119.000 119.000 119.373 -0.373 18156 71 1 . 1 1 22 22 ASP HA H 22 4.270 4.270 4.365 -0.095 18156 72 1 . 1 1 22 22 ASP C C 22 178.500 178.500 178.505 -0.005 18156 73 1 . 1 1 22 22 ASP CA C 22 57.000 57.000 57.326 -0.326 18156 74 1 . 1 1 22 22 ASP CB C 22 41.300 41.300 40.665 0.635 18156 75 1 . 1 1 22 22 ASP H H 22 7.670 7.670 7.691 -0.021 18156 76 1 . 1 1 23 23 PHE N N 23 120.000 120.000 121.487 -1.487 18156 77 1 . 1 1 23 23 PHE HA H 23 4.250 4.250 4.321 -0.071 18156 78 1 . 1 1 23 23 PHE C C 23 177.500 177.500 176.910 0.590 18156 79 1 . 1 1 23 23 PHE CA C 23 60.800 60.800 60.979 -0.179 18156 80 1 . 1 1 23 23 PHE CB C 23 37.600 37.600 38.766 -1.166 18156 81 1 . 1 1 23 23 PHE H H 23 8.430 8.430 7.967 0.463 18156 82 1 . 1 1 24 24 VAL N N 24 120.700 120.700 118.470 2.230 18156 83 1 . 1 1 24 24 VAL HA H 24 2.730 2.730 2.885 -0.155 18156 84 1 . 1 1 24 24 VAL C C 24 178.200 178.200 177.873 0.327 18156 85 1 . 1 1 24 24 VAL CA C 24 66.900 66.900 66.461 0.439 18156 86 1 . 1 1 24 24 VAL CB C 24 32.100 32.100 30.714 1.386 18156 87 1 . 1 1 24 24 VAL H H 24 8.250 8.250 7.809 0.441 18156 88 1 . 1 1 25 25 ASN N N 25 116.700 116.700 117.523 -0.823 18156 89 1 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.353 -0.153 18156 90 1 . 1 1 25 25 ASN C C 25 176.200 176.200 177.068 -0.868 18156 91 1 . 1 1 25 25 ASN CA C 25 56.000 56.000 55.839 0.161 18156 92 1 . 1 1 25 25 ASN CB C 25 38.700 38.700 38.280 0.420 18156 93 1 . 1 1 25 25 ASN H H 25 8.260 8.260 7.875 0.385 18156 94 1 . 1 1 26 26 ASN N N 26 112.300 112.300 116.235 -3.935 18156 95 1 . 1 1 26 26 ASN HA H 26 4.600 4.600 4.464 0.136 18156 96 1 . 1 1 26 26 ASN C C 26 174.500 174.500 175.480 -0.980 18156 97 1 . 1 1 26 26 ASN CA C 26 53.600 53.600 54.927 -1.327 18156 98 1 . 1 1 26 26 ASN CB C 26 38.800 38.800 38.843 -0.044 18156 99 1 . 1 1 26 26 ASN H H 26 8.490 8.490 7.862 0.628 18156 100 1 . 1 1 27 27 TYR N N 27 113.700 113.700 117.120 -3.420 18156 101 1 . 1 1 27 27 TYR HA H 27 4.830 4.830 4.626 0.204 18156 102 1 . 1 1 27 27 TYR C C 27 176.500 176.500 176.964 -0.464 18156 103 1 . 1 1 27 27 TYR CA C 27 58.200 58.200 59.558 -1.358 18156 104 1 . 1 1 27 27 TYR CB C 27 39.300 39.300 38.993 0.307 18156 105 1 . 1 1 27 27 TYR H H 27 7.000 7.000 7.404 -0.404 18156 106 1 . 1 1 28 28 LEU N N 28 122.700 122.700 121.230 1.470 18156 107 1 . 1 1 28 28 LEU HA H 28 3.830 3.830 3.822 0.008 18156 108 1 . 1 1 28 28 LEU C C 28 179.700 179.700 178.925 0.775 18156 109 1 . 1 1 28 28 LEU CA C 28 58.300 58.300 57.641 0.659 18156 110 1 . 1 1 28 28 LEU CB C 28 41.400 41.400 41.444 -0.044 18156 111 1 . 1 1 28 28 LEU H H 28 8.180 8.180 8.041 0.139 18156 112 1 . 1 1 29 29 SER N N 29 109.300 109.300 114.623 -5.323 18156 113 1 . 1 1 29 29 SER HA H 29 4.120 4.120 4.178 -0.058 18156 114 1 . 1 1 29 29 SER C C 29 174.000 174.000 175.548 -1.548 18156 115 1 . 1 1 29 29 SER CA C 29 60.300 60.300 60.858 -0.558 18156 116 1 . 1 1 29 29 SER CB C 29 63.100 63.100 62.871 0.229 18156 117 1 . 1 1 29 29 SER H H 29 7.940 7.940 8.169 -0.229 18156 118 1 . 1 1 30 30 LYS N N 30 117.200 117.200 119.207 -2.007 18156 119 1 . 1 1 30 30 LYS HA H 30 4.460 4.460 4.402 0.058 18156 120 1 . 1 1 30 30 LYS C C 30 177.200 177.200 176.540 0.660 18156 121 1 . 1 1 30 30 LYS CA C 30 54.800 54.800 55.356 -0.556 18156 122 1 . 1 1 30 30 LYS CB C 30 33.000 33.000 32.652 0.348 18156 123 1 . 1 1 30 30 LYS H H 30 6.680 6.680 7.247 -0.567 18156 124 1 . 1 1 31 31 GLY N N 31 107.100 107.100 108.082 -0.982 18156 125 1 . 1 1 31 31 GLY C C 31 175.700 175.700 175.445 0.255 18156 126 1 . 1 1 31 31 GLY CA C 31 47.400 47.400 46.184 1.216 18156 127 1 . 1 1 31 31 GLY H H 31 7.660 7.660 7.728 -0.068 18156 128 1 . 1 1 32 32 VAL N N 32 107.300 107.300 112.033 -4.733 18156 129 1 . 1 1 32 32 VAL HA H 32 4.630 4.630 4.340 0.290 18156 130 1 . 1 1 32 32 VAL C C 32 174.800 174.800 175.556 -0.756 18156 131 1 . 1 1 32 32 VAL CA C 32 60.800 60.800 62.381 -1.582 18156 132 1 . 1 1 32 32 VAL CB C 32 32.100 32.100 32.297 -0.197 18156 133 1 . 1 1 32 32 VAL H H 32 6.910 6.910 7.456 -0.546 18156 134 1 . 1 1 33 33 VAL N N 33 122.000 122.000 119.869 2.131 18156 135 1 . 1 1 33 33 VAL HA H 33 4.000 4.000 4.339 -0.339 18156 136 1 . 1 1 33 33 VAL C C 33 174.500 174.500 175.503 -1.003 18156 137 1 . 1 1 33 33 VAL CA C 33 63.300 63.300 61.677 1.623 18156 138 1 . 1 1 33 33 VAL CB C 33 32.100 32.100 32.378 -0.278 18156 139 1 . 1 1 33 33 VAL H H 33 8.180 8.180 7.476 0.705 18156 140 1 . 1 1 34 34 ASP N N 34 128.200 128.200 126.487 1.713 18156 141 1 . 1 1 34 34 ASP HA H 34 4.760 4.760 4.603 0.157 18156 142 1 . 1 1 34 34 ASP C C 34 175.400 175.400 175.554 -0.154 18156 143 1 . 1 1 34 34 ASP CA C 34 55.300 55.300 56.434 -1.134 18156 144 1 . 1 1 34 34 ASP CB C 34 43.600 43.600 42.891 0.709 18156 145 1 . 1 1 34 34 ASP H H 34 9.150 9.150 8.869 0.281 18156 146 1 . 1 1 35 35 ARG N N 35 112.200 112.200 113.808 -1.608 18156 147 1 . 1 1 35 35 ARG HA H 35 4.620 4.620 4.756 -0.136 18156 148 1 . 1 1 35 35 ARG C C 35 172.900 172.900 173.835 -0.935 18156 149 1 . 1 1 35 35 ARG CA C 35 55.300 55.300 54.868 0.432 18156 150 1 . 1 1 35 35 ARG CB C 35 33.100 33.100 33.281 -0.181 18156 151 1 . 1 1 35 35 ARG H H 35 7.440 7.440 7.463 -0.023 18156 152 1 . 1 1 36 36 LEU N N 36 120.400 120.400 122.753 -2.353 18156 153 1 . 1 1 36 36 LEU HA H 36 5.020 5.020 5.080 -0.060 18156 154 1 . 1 1 36 36 LEU C C 36 174.800 174.800 175.690 -0.890 18156 155 1 . 1 1 36 36 LEU CA C 36 53.000 53.000 53.657 -0.657 18156 156 1 . 1 1 36 36 LEU CB C 36 43.900 43.900 43.804 0.096 18156 157 1 . 1 1 36 36 LEU H H 36 8.410 8.410 8.814 -0.404 18156 158 1 . 1 1 37 37 GLU N N 37 120.800 120.800 124.984 -4.184 18156 159 1 . 1 1 37 37 GLU HA H 37 4.930 4.930 4.684 0.246 18156 160 1 . 1 1 37 37 GLU C C 37 174.400 174.400 175.847 -1.447 18156 161 1 . 1 1 37 37 GLU CA C 37 53.300 53.300 55.031 -1.731 18156 162 1 . 1 1 37 37 GLU CB C 37 31.700 31.700 30.321 1.379 18156 163 1 . 1 1 37 37 GLU H H 37 8.470 8.470 8.598 -0.128 18156 164 1 . 1 1 38 38 VAL N N 38 125.600 125.600 127.589 -1.989 18156 165 1 . 1 1 38 38 VAL HA H 38 4.010 4.010 3.905 0.105 18156 166 1 . 1 1 38 38 VAL C C 38 175.500 175.500 174.989 0.511 18156 167 1 . 1 1 38 38 VAL CA C 38 61.400 61.400 61.530 -0.130 18156 168 1 . 1 1 38 38 VAL CB C 38 30.800 30.800 30.634 0.166 18156 169 1 . 1 1 38 38 VAL H H 38 9.130 9.130 8.445 0.685 18156 170 1 . 1 1 39 39 VAL N N 39 131.700 131.700 128.818 2.882 18156 171 1 . 1 1 39 39 VAL HA H 39 4.180 4.180 3.985 0.195 18156 172 1 . 1 1 39 39 VAL C C 39 175.600 175.600 175.985 -0.386 18156 173 1 . 1 1 39 39 VAL CA C 39 61.700 61.700 61.516 0.184 18156 174 1 . 1 1 39 39 VAL CB C 39 30.800 30.800 30.378 0.422 18156 175 1 . 1 1 39 39 VAL H H 39 9.040 9.040 7.672 1.368 18156 176 1 . 1 1 40 40 ASN N N 40 125.000 125.000 125.270 -0.270 18156 177 1 . 1 1 40 40 ASN HA H 40 4.460 4.460 4.242 0.218 18156 178 1 . 1 1 40 40 ASN C C 40 173.300 173.300 174.629 -1.329 18156 179 1 . 1 1 40 40 ASN CA C 40 54.100 54.100 54.627 -0.527 18156 180 1 . 1 1 40 40 ASN CB C 40 37.000 37.000 37.170 -0.170 18156 181 1 . 1 1 40 40 ASN H H 40 9.060 9.060 8.958 0.102 18156 182 1 . 1 1 41 41 LYS N N 41 109.900 109.900 110.890 -0.990 18156 183 1 . 1 1 41 41 LYS HA H 41 3.240 3.240 3.757 -0.517 18156 184 1 . 1 1 41 41 LYS C C 41 175.000 175.000 175.919 -0.919 18156 185 1 . 1 1 41 41 LYS CA C 41 58.300 58.300 58.360 -0.060 18156 186 1 . 1 1 41 41 LYS CB C 41 30.600 30.600 30.818 -0.218 18156 187 1 . 1 1 41 41 LYS H H 41 9.250 9.250 7.957 1.292 18156 188 1 . 1 1 42 42 ARG N N 42 115.800 115.800 116.731 -0.931 18156 189 1 . 1 1 42 42 ARG HA H 42 4.710 4.710 4.338 0.372 18156 190 1 . 1 1 42 42 ARG C C 42 174.900 174.900 176.081 -1.181 18156 191 1 . 1 1 42 42 ARG CA C 42 57.200 57.200 58.001 -0.801 18156 192 1 . 1 1 42 42 ARG CB C 42 34.200 34.200 32.022 2.178 18156 193 1 . 1 1 42 42 ARG H H 42 8.110 8.110 7.564 0.546 18156 194 1 . 1 1 43 43 PHE N N 43 115.100 115.100 112.441 2.659 18156 195 1 . 1 1 43 43 PHE HA H 43 5.160 5.160 4.982 0.178 18156 196 1 . 1 1 43 43 PHE C C 43 171.200 171.200 172.736 -1.536 18156 197 1 . 1 1 43 43 PHE CA C 43 55.700 55.700 56.080 -0.380 18156 198 1 . 1 1 43 43 PHE CB C 43 41.100 41.100 41.345 -0.245 18156 199 1 . 1 1 43 43 PHE H H 43 7.610 7.610 7.372 0.238 18156 200 1 . 1 1 44 44 VAL N N 44 121.200 121.200 118.476 2.724 18156 201 1 . 1 1 44 44 VAL HA H 44 4.590 4.590 4.142 0.448 18156 202 1 . 1 1 44 44 VAL C C 44 174.600 174.600 174.419 0.181 18156 203 1 . 1 1 44 44 VAL CA C 44 59.800 59.800 60.610 -0.810 18156 204 1 . 1 1 44 44 VAL CB C 44 32.900 32.900 33.951 -1.051 18156 205 1 . 1 1 44 44 VAL H H 44 9.030 9.030 8.493 0.537 18156 206 1 . 1 1 45 45 ARG N N 45 125.000 125.000 127.334 -2.334 18156 207 1 . 1 1 45 45 ARG HA H 45 4.960 4.960 4.686 0.274 18156 208 1 . 1 1 45 45 ARG C C 45 175.400 175.400 175.016 0.384 18156 209 1 . 1 1 45 45 ARG CA C 45 55.000 55.000 54.502 0.498 18156 210 1 . 1 1 45 45 ARG CB C 45 33.200 33.200 32.035 1.165 18156 211 1 . 1 1 45 45 ARG H H 45 9.320 9.320 8.544 0.776 18156 212 1 . 1 1 46 46 VAL N N 46 127.200 127.200 129.224 -2.025 18156 213 1 . 1 1 46 46 VAL HA H 46 4.110 4.110 4.070 0.040 18156 214 1 . 1 1 46 46 VAL C C 46 174.700 174.700 175.046 -0.346 18156 215 1 . 1 1 46 46 VAL CA C 46 62.200 62.200 62.527 -0.327 18156 216 1 . 1 1 46 46 VAL CB C 46 33.100 33.100 31.393 1.707 18156 217 1 . 1 1 46 46 VAL H H 46 8.770 8.770 8.639 0.131 18156 218 1 . 1 1 47 47 THR N N 47 120.800 120.800 124.448 -3.648 18156 219 1 . 1 1 47 47 THR HA H 47 4.700 4.700 4.590 0.110 18156 220 1 . 1 1 47 47 THR C C 47 174.500 174.500 173.751 0.749 18156 221 1 . 1 1 47 47 THR CA C 47 61.300 61.300 62.107 -0.807 18156 222 1 . 1 1 47 47 THR CB C 47 69.800 69.800 69.860 -0.060 18156 223 1 . 1 1 47 47 THR H H 47 8.110 8.110 8.286 -0.176 18156 224 1 . 1 1 48 48 PHE N N 48 125.700 125.700 125.306 0.394 18156 225 1 . 1 1 48 48 PHE HA H 48 5.350 5.350 5.056 0.294 18156 226 1 . 1 1 48 48 PHE C C 48 176.000 176.000 177.008 -1.008 18156 227 1 . 1 1 48 48 PHE CA C 48 57.300 57.300 57.133 0.167 18156 228 1 . 1 1 48 48 PHE CB C 48 41.400 41.400 40.502 0.898 18156 229 1 . 1 1 48 48 PHE H H 48 9.000 9.000 8.917 0.083 18156 230 1 . 1 1 49 49 THR N N 49 118.900 118.900 116.349 2.551 18156 231 1 . 1 1 49 49 THR HA H 49 4.330 4.330 4.615 -0.285 18156 232 1 . 1 1 49 49 THR CA C 49 61.200 61.200 60.403 0.797 18156 233 1 . 1 1 49 49 THR CB C 49 69.400 69.400 68.932 0.468 18156 234 1 . 1 1 49 49 THR H H 49 8.620 8.620 8.602 0.018 18156 235 1 . 1 1 50 50 PRO HA H 50 4.360 4.360 4.267 0.093 18156 236 1 . 1 1 50 50 PRO C C 50 177.700 177.700 177.573 0.127 18156 237 1 . 1 1 50 50 PRO CA C 50 64.500 64.500 64.339 0.161 18156 238 1 . 1 1 50 50 PRO CB C 50 31.800 31.800 31.136 0.663 18156 239 1 . 1 1 51 51 GLY N N 51 111.300 111.300 110.466 0.834 18156 240 1 . 1 1 51 51 GLY C C 51 175.200 175.200 175.054 0.146 18156 241 1 . 1 1 51 51 GLY CA C 51 45.400 45.400 45.535 -0.135 18156 242 1 . 1 1 51 51 GLY H H 51 8.880 8.880 8.535 0.345 18156 243 1 . 1 1 52 52 LYS N N 52 118.900 118.900 120.842 -1.942 18156 244 1 . 1 1 52 52 LYS HA H 52 4.570 4.570 4.434 0.136 18156 245 1 . 1 1 52 52 LYS C C 52 175.800 175.800 176.617 -0.817 18156 246 1 . 1 1 52 52 LYS CA C 52 54.800 54.800 56.241 -1.441 18156 247 1 . 1 1 52 52 LYS CB C 52 32.600 32.600 33.223 -0.623 18156 248 1 . 1 1 52 52 LYS H H 52 8.110 8.110 7.964 0.146 18156 249 1 . 1 1 53 53 THR N N 53 114.700 114.700 116.852 -2.152 18156 250 1 . 1 1 53 53 THR HA H 53 4.180 4.180 4.450 -0.270 18156 251 1 . 1 1 53 53 THR CA C 53 60.400 60.400 60.343 0.057 18156 252 1 . 1 1 53 53 THR CB C 53 69.100 69.100 69.005 0.095 18156 253 1 . 1 1 53 53 THR H H 53 7.700 7.700 7.720 -0.020 18156 254 1 . 1 1 54 54 PRO HA H 54 4.410 4.410 4.463 -0.053 18156 255 1 . 1 1 54 54 PRO C C 54 177.500 177.500 177.425 0.075 18156 256 1 . 1 1 54 54 PRO CA C 54 63.200 63.200 62.470 0.730 18156 257 1 . 1 1 54 54 PRO CB C 54 32.300 32.300 32.161 0.139 18156 258 1 . 1 1 55 55 VAL N N 55 119.300 119.300 119.832 -0.532 18156 259 1 . 1 1 55 55 VAL HA H 55 4.000 4.000 3.781 0.219 18156 260 1 . 1 1 55 55 VAL C C 55 176.000 176.000 176.602 -0.602 18156 261 1 . 1 1 55 55 VAL CA C 55 63.300 63.300 64.512 -1.212 18156 262 1 . 1 1 55 55 VAL CB C 55 32.400 32.400 31.717 0.683 18156 263 1 . 1 1 55 55 VAL H H 55 8.190 8.190 8.254 -0.064 18156 264 1 . 1 1 56 56 ASP N N 56 120.300 120.300 119.301 0.999 18156 265 1 . 1 1 56 56 ASP HA H 56 4.570 4.570 4.548 0.022 18156 266 1 . 1 1 56 56 ASP C C 56 177.000 177.000 176.870 0.130 18156 267 1 . 1 1 56 56 ASP CA C 56 54.300 54.300 54.801 -0.501 18156 268 1 . 1 1 56 56 ASP CB C 56 40.700 40.700 40.562 0.139 18156 269 1 . 1 1 56 56 ASP H H 56 8.170 8.170 8.218 -0.048 18156 270 1 . 1 1 57 57 GLY N N 57 108.300 108.300 108.157 0.143 18156 271 1 . 1 1 57 57 GLY C C 57 173.700 173.700 173.690 0.010 18156 272 1 . 1 1 57 57 GLY CA C 57 45.800 45.800 44.982 0.818 18156 273 1 . 1 1 57 57 GLY H H 57 8.110 8.110 7.840 0.270 18156 274 1 . 1 1 58 58 GLN N N 58 118.900 118.900 119.912 -1.012 18156 275 1 . 1 1 58 58 GLN HA H 58 4.500 4.500 4.266 0.234 18156 276 1 . 1 1 58 58 GLN C C 58 175.700 175.700 174.877 0.823 18156 277 1 . 1 1 58 58 GLN CA C 58 56.200 56.200 55.544 0.656 18156 278 1 . 1 1 58 58 GLN CB C 58 30.200 30.200 28.976 1.224 18156 279 1 . 1 1 58 58 GLN H H 58 8.070 8.070 7.878 0.192 18156 280 1 . 1 1 59 59 TYR N N 59 118.800 118.800 120.614 -1.814 18156 281 1 . 1 1 59 59 TYR HA H 59 5.130 5.130 4.857 0.273 18156 282 1 . 1 1 59 59 TYR C C 59 177.500 177.500 175.632 1.868 18156 283 1 . 1 1 59 59 TYR CA C 59 56.700 56.700 58.176 -1.476 18156 284 1 . 1 1 59 59 TYR CB C 59 39.300 39.300 39.589 -0.289 18156 285 1 . 1 1 59 59 TYR H H 59 8.110 8.110 8.256 -0.146 18156 286 1 . 1 1 60 60 VAL N N 60 115.600 115.600 115.352 0.248 18156 287 1 . 1 1 60 60 VAL HA H 60 5.500 5.500 5.311 0.189 18156 288 1 . 1 1 60 60 VAL C C 60 174.700 174.700 175.011 -0.311 18156 289 1 . 1 1 60 60 VAL CA C 60 60.000 60.000 59.819 0.181 18156 290 1 . 1 1 60 60 VAL CB C 60 35.000 35.000 35.385 -0.385 18156 291 1 . 1 1 60 60 VAL H H 60 8.250 8.250 8.342 -0.092 18156 292 1 . 1 1 61 61 TRP N N 61 120.800 120.800 118.786 2.014 18156 293 1 . 1 1 61 61 TRP HA H 61 5.920 5.920 5.384 0.536 18156 294 1 . 1 1 61 61 TRP C C 61 172.700 172.700 173.488 -0.788 18156 295 1 . 1 1 61 61 TRP CA C 61 55.000 55.000 55.774 -0.774 18156 296 1 . 1 1 61 61 TRP CB C 61 32.900 32.900 32.518 0.382 18156 297 1 . 1 1 61 61 TRP H H 61 8.500 8.500 8.583 -0.083 18156 298 1 . 1 1 62 62 PHE N N 62 112.100 112.100 114.962 -2.862 18156 299 1 . 1 1 62 62 PHE HA H 62 5.040 5.040 4.913 0.127 18156 300 1 . 1 1 62 62 PHE C C 62 174.800 174.800 173.722 1.078 18156 301 1 . 1 1 62 62 PHE CA C 62 55.400 55.400 56.454 -1.054 18156 302 1 . 1 1 62 62 PHE CB C 62 41.900 41.900 41.434 0.466 18156 303 1 . 1 1 62 62 PHE H H 62 8.700 8.700 8.577 0.123 18156 304 1 . 1 1 63 63 ASN N N 63 120.800 120.800 120.328 0.472 18156 305 1 . 1 1 63 63 ASN HA H 63 5.160 5.160 5.018 0.142 18156 306 1 . 1 1 63 63 ASN C C 63 175.800 175.800 175.249 0.551 18156 307 1 . 1 1 63 63 ASN CA C 63 54.100 54.100 53.295 0.805 18156 308 1 . 1 1 63 63 ASN CB C 63 40.600 40.600 39.492 1.108 18156 309 1 . 1 1 63 63 ASN H H 63 9.340 9.340 8.760 0.580 18156 310 1 . 1 1 64 64 ILE N N 64 113.400 113.400 117.824 -4.424 18156 311 1 . 1 1 64 64 ILE HA H 64 4.650 4.650 4.587 0.063 18156 312 1 . 1 1 64 64 ILE C C 64 175.300 175.300 176.348 -1.048 18156 313 1 . 1 1 64 64 ILE CA C 64 60.100 60.100 60.666 -0.566 18156 314 1 . 1 1 64 64 ILE CB C 64 42.100 42.100 39.649 2.451 18156 315 1 . 1 1 64 64 ILE H H 64 7.820 7.820 8.051 -0.231 18156 316 1 . 1 1 65 65 GLY N N 65 110.700 110.700 110.885 -0.185 18156 317 1 . 1 1 65 65 GLY C C 65 174.300 174.300 174.949 -0.649 18156 318 1 . 1 1 65 65 GLY CA C 65 45.800 45.800 46.106 -0.306 18156 319 1 . 1 1 65 65 GLY H H 65 8.570 8.570 8.423 0.147 18156 320 1 . 1 1 66 66 SER N N 66 113.800 113.800 118.398 -4.598 18156 321 1 . 1 1 66 66 SER HA H 66 4.730 4.730 4.647 0.083 18156 322 1 . 1 1 66 66 SER C C 66 175.500 175.500 175.192 0.308 18156 323 1 . 1 1 66 66 SER CA C 66 56.800 56.800 56.939 -0.139 18156 324 1 . 1 1 66 66 SER CB C 66 64.500 64.500 63.853 0.647 18156 325 1 . 1 1 66 66 SER H H 66 7.680 7.680 7.919 -0.239 18156 326 1 . 1 1 67 67 VAL N N 67 127.000 127.000 127.249 -0.249 18156 327 1 . 1 1 67 67 VAL HA H 67 3.820 3.820 3.810 0.010 18156 328 1 . 1 1 67 67 VAL C C 67 176.700 176.700 177.260 -0.560 18156 329 1 . 1 1 67 67 VAL CA C 67 66.600 66.600 65.733 0.867 18156 330 1 . 1 1 67 67 VAL CB C 67 31.700 31.700 31.754 -0.053 18156 331 1 . 1 1 67 67 VAL H H 67 9.150 9.150 8.553 0.597 18156 332 1 . 1 1 68 68 ASP N N 68 118.800 118.800 118.642 0.158 18156 333 1 . 1 1 68 68 ASP HA H 68 4.450 4.450 4.502 -0.052 18156 334 1 . 1 1 68 68 ASP C C 68 178.700 178.700 178.315 0.385 18156 335 1 . 1 1 68 68 ASP CA C 68 57.300 57.300 57.797 -0.498 18156 336 1 . 1 1 68 68 ASP CB C 68 40.700 40.700 40.330 0.370 18156 337 1 . 1 1 68 68 ASP H H 68 8.320 8.320 8.450 -0.130 18156 338 1 . 1 1 69 69 THR N N 69 114.500 114.500 116.297 -1.797 18156 339 1 . 1 1 69 69 THR HA H 69 3.910 3.910 4.021 -0.111 18156 340 1 . 1 1 69 69 THR C C 69 175.500 175.500 176.229 -0.729 18156 341 1 . 1 1 69 69 THR CA C 69 65.600 65.600 66.112 -0.512 18156 342 1 . 1 1 69 69 THR CB C 69 68.900 68.900 68.537 0.363 18156 343 1 . 1 1 69 69 THR H H 69 7.710 7.710 7.723 -0.013 18156 344 1 . 1 1 70 70 PHE N N 70 122.800 122.800 122.409 0.391 18156 345 1 . 1 1 70 70 PHE HA H 70 4.320 4.320 3.880 0.440 18156 346 1 . 1 1 70 70 PHE C C 70 176.000 176.000 176.883 -0.883 18156 347 1 . 1 1 70 70 PHE CA C 70 60.500 60.500 61.205 -0.705 18156 348 1 . 1 1 70 70 PHE CB C 70 39.100 39.100 38.911 0.189 18156 349 1 . 1 1 70 70 PHE H H 70 7.680 7.680 8.043 -0.363 18156 350 1 . 1 1 71 71 GLU N N 71 118.400 118.400 118.674 -0.274 18156 351 1 . 1 1 71 71 GLU HA H 71 3.370 3.370 3.622 -0.252 18156 352 1 . 1 1 71 71 GLU C C 71 179.900 179.900 179.024 0.876 18156 353 1 . 1 1 71 71 GLU CA C 71 60.200 60.200 59.616 0.584 18156 354 1 . 1 1 71 71 GLU CB C 71 29.200 29.200 29.314 -0.114 18156 355 1 . 1 1 71 71 GLU H H 71 8.660 8.660 8.192 0.468 18156 356 1 . 1 1 72 72 ARG N N 72 119.500 119.500 118.837 0.663 18156 357 1 . 1 1 72 72 ARG HA H 72 4.160 4.160 4.029 0.131 18156 358 1 . 1 1 72 72 ARG C C 72 179.200 179.200 178.732 0.468 18156 359 1 . 1 1 72 72 ARG CA C 72 59.100 59.100 59.257 -0.157 18156 360 1 . 1 1 72 72 ARG CB C 72 30.100 30.100 29.949 0.151 18156 361 1 . 1 1 72 72 ARG H H 72 7.960 7.960 8.006 -0.046 18156 362 1 . 1 1 73 73 ASN N N 73 119.900 119.900 118.349 1.551 18156 363 1 . 1 1 73 73 ASN HA H 73 4.510 4.510 4.504 0.006 18156 364 1 . 1 1 73 73 ASN C C 73 178.100 178.100 177.671 0.429 18156 365 1 . 1 1 73 73 ASN CA C 73 55.500 55.500 55.847 -0.347 18156 366 1 . 1 1 73 73 ASN CB C 73 37.400 37.400 38.070 -0.670 18156 367 1 . 1 1 73 73 ASN H H 73 8.610 8.610 7.987 0.623 18156 368 1 . 1 1 74 74 LEU N N 74 121.900 121.900 122.089 -0.189 18156 369 1 . 1 1 74 74 LEU HA H 74 4.250 4.250 4.289 -0.039 18156 370 1 . 1 1 74 74 LEU C C 74 179.100 179.100 178.382 0.718 18156 371 1 . 1 1 74 74 LEU CA C 74 58.300 58.300 58.479 -0.179 18156 372 1 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.739 0.061 18156 373 1 . 1 1 74 74 LEU H H 74 8.720 8.720 8.128 0.592 18156 374 1 . 1 1 75 75 GLU N N 75 120.700 120.700 117.995 2.705 18156 375 1 . 1 1 75 75 GLU HA H 75 4.110 4.110 4.000 0.110 18156 376 1 . 1 1 75 75 GLU C C 75 178.900 178.900 179.303 -0.403 18156 377 1 . 1 1 75 75 GLU CA C 75 59.900 59.900 59.459 0.441 18156 378 1 . 1 1 75 75 GLU CB C 75 29.300 29.300 29.077 0.223 18156 379 1 . 1 1 75 75 GLU H H 75 8.070 8.070 8.291 -0.221 18156 380 1 . 1 1 76 76 THR N N 76 115.700 115.700 117.207 -1.507 18156 381 1 . 1 1 76 76 THR HA H 76 4.000 4.000 4.084 -0.084 18156 382 1 . 1 1 76 76 THR C C 76 176.600 176.600 176.709 -0.109 18156 383 1 . 1 1 76 76 THR CA C 76 66.500 66.500 66.303 0.197 18156 384 1 . 1 1 76 76 THR CB C 76 69.000 69.000 68.835 0.165 18156 385 1 . 1 1 76 76 THR H H 76 8.400 8.400 7.752 0.648 18156 386 1 . 1 1 77 77 LEU N N 77 122.200 122.200 122.683 -0.483 18156 387 1 . 1 1 77 77 LEU HA H 77 4.260 4.260 4.144 0.116 18156 388 1 . 1 1 77 77 LEU C C 77 179.200 179.200 178.637 0.563 18156 389 1 . 1 1 77 77 LEU CA C 77 57.300 57.300 58.150 -0.850 18156 390 1 . 1 1 77 77 LEU CB C 77 41.900 41.900 41.657 0.243 18156 391 1 . 1 1 77 77 LEU H H 77 8.330 8.330 8.262 0.068 18156 392 1 . 1 1 78 78 GLN N N 78 115.700 115.700 117.383 -1.683 18156 393 1 . 1 1 78 78 GLN HA H 78 3.880 3.880 3.892 -0.012 18156 394 1 . 1 1 78 78 GLN C C 78 177.600 177.600 178.557 -0.957 18156 395 1 . 1 1 78 78 GLN CA C 78 61.300 61.300 59.198 2.102 18156 396 1 . 1 1 78 78 GLN CB C 78 29.400 29.400 28.534 0.866 18156 397 1 . 1 1 78 78 GLN H H 78 8.200 8.200 8.258 -0.058 18156 398 1 . 1 1 79 79 GLN N N 79 118.400 118.400 118.195 0.205 18156 399 1 . 1 1 79 79 GLN HA H 79 4.140 4.140 4.044 0.096 18156 400 1 . 1 1 79 79 GLN C C 79 180.000 180.000 178.637 1.363 18156 401 1 . 1 1 79 79 GLN CA C 79 59.200 59.200 58.608 0.592 18156 402 1 . 1 1 79 79 GLN CB C 79 28.200 28.200 28.490 -0.290 18156 403 1 . 1 1 79 79 GLN H H 79 7.980 7.980 7.828 0.152 18156 404 1 . 1 1 80 80 GLU N N 80 121.700 121.700 119.896 1.804 18156 405 1 . 1 1 80 80 GLU HA H 80 4.050 4.050 4.121 -0.071 18156 406 1 . 1 1 80 80 GLU C C 80 178.800 178.800 178.589 0.211 18156 407 1 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.565 0.735 18156 408 1 . 1 1 80 80 GLU CB C 80 29.600 29.600 29.594 0.006 18156 409 1 . 1 1 80 80 GLU H H 80 8.400 8.400 7.874 0.526 18156 410 1 . 1 1 81 81 LEU N N 81 117.200 117.200 117.422 -0.222 18156 411 1 . 1 1 81 81 LEU HA H 81 4.300 4.300 4.267 0.033 18156 412 1 . 1 1 81 81 LEU C C 81 177.400 177.400 177.819 -0.419 18156 413 1 . 1 1 81 81 LEU CA C 81 55.100 55.100 55.358 -0.258 18156 414 1 . 1 1 81 81 LEU CB C 81 42.800 42.800 42.312 0.488 18156 415 1 . 1 1 81 81 LEU H H 81 8.120 8.120 8.009 0.111 18156 416 1 . 1 1 82 82 GLY N N 82 108.900 108.900 106.734 2.166 18156 417 1 . 1 1 82 82 GLY C C 82 174.600 174.600 174.744 -0.144 18156 418 1 . 1 1 82 82 GLY CA C 82 46.300 46.300 45.293 1.007 18156 419 1 . 1 1 82 82 GLY H H 82 7.840 7.840 7.527 0.313 18156 420 1 . 1 1 83 83 ILE N N 83 121.900 121.900 123.345 -1.445 18156 421 1 . 1 1 83 83 ILE HA H 83 4.000 4.000 3.988 0.012 18156 422 1 . 1 1 83 83 ILE C C 83 175.300 175.300 174.900 0.400 18156 423 1 . 1 1 83 83 ILE CA C 83 61.500 61.500 62.164 -0.664 18156 424 1 . 1 1 83 83 ILE CB C 83 37.800 37.800 37.329 0.471 18156 425 1 . 1 1 83 83 ILE H H 83 8.250 8.250 7.809 0.441 18156 426 1 . 1 1 84 84 GLU N N 84 126.600 126.600 125.394 1.206 18156 427 1 . 1 1 84 84 GLU HA H 84 4.500 4.500 4.543 -0.043 18156 428 1 . 1 1 84 84 GLU C C 84 177.400 177.400 176.718 0.682 18156 429 1 . 1 1 84 84 GLU CA C 84 55.300 55.300 54.892 0.408 18156 430 1 . 1 1 84 84 GLU CB C 84 32.600 32.600 32.480 0.120 18156 431 1 . 1 1 84 84 GLU H H 84 8.760 8.760 7.994 0.766 18156 432 1 . 1 1 85 85 GLY N N 85 109.400 109.400 111.384 -1.984 18156 433 1 . 1 1 85 85 GLY C C 85 176.600 176.600 175.544 1.056 18156 434 1 . 1 1 85 85 GLY CA C 85 47.400 47.400 46.881 0.519 18156 435 1 . 1 1 85 85 GLY H H 85 8.870 8.870 8.739 0.131 18156 436 1 . 1 1 86 86 GLU N N 86 123.900 123.900 123.577 0.323 18156 437 1 . 1 1 86 86 GLU HA H 86 4.250 4.250 4.174 0.076 18156 438 1 . 1 1 86 86 GLU C C 86 176.200 176.200 177.128 -0.928 18156 439 1 . 1 1 86 86 GLU CA C 86 57.800 57.800 58.068 -0.268 18156 440 1 . 1 1 86 86 GLU CB C 86 29.100 29.100 29.496 -0.396 18156 441 1 . 1 1 86 86 GLU H H 86 9.240 9.240 8.606 0.634 18156 442 1 . 1 1 87 87 ASN N N 87 115.900 115.900 116.328 -0.428 18156 443 1 . 1 1 87 87 ASN HA H 87 4.830 4.830 4.699 0.131 18156 444 1 . 1 1 87 87 ASN C C 87 174.600 174.600 175.252 -0.652 18156 445 1 . 1 1 87 87 ASN CA C 87 53.200 53.200 53.617 -0.417 18156 446 1 . 1 1 87 87 ASN CB C 87 39.400 39.400 39.187 0.213 18156 447 1 . 1 1 87 87 ASN H H 87 8.050 8.050 7.773 0.277 18156 448 1 . 1 1 88 88 ARG N N 88 119.300 119.300 120.296 -0.996 18156 449 1 . 1 1 88 88 ARG HA H 88 4.050 4.050 4.230 -0.180 18156 450 1 . 1 1 88 88 ARG C C 88 176.600 176.600 176.065 0.535 18156 451 1 . 1 1 88 88 ARG CA C 88 56.600 56.600 56.493 0.107 18156 452 1 . 1 1 88 88 ARG CB C 88 30.600 30.600 30.577 0.023 18156 453 1 . 1 1 88 88 ARG H H 88 7.230 7.230 7.367 -0.138 18156 454 1 . 1 1 89 89 VAL N N 89 124.700 124.700 125.625 -0.925 18156 455 1 . 1 1 89 89 VAL HA H 89 4.290 4.290 4.273 0.017 18156 456 1 . 1 1 89 89 VAL CA C 89 60.000 60.000 60.311 -0.311 18156 457 1 . 1 1 89 89 VAL CB C 89 33.100 33.100 31.691 1.409 18156 458 1 . 1 1 89 89 VAL H H 89 8.780 8.780 8.373 0.407 18156 459 1 . 1 1 90 90 PRO HA H 90 4.510 4.510 4.495 0.015 18156 460 1 . 1 1 90 90 PRO C C 90 175.100 175.100 175.499 -0.399 18156 461 1 . 1 1 90 90 PRO CA C 90 63.100 63.100 62.888 0.212 18156 462 1 . 1 1 90 90 PRO CB C 90 32.600 32.600 32.455 0.145 18156 463 1 . 1 1 91 91 VAL N N 91 121.600 121.600 123.191 -1.591 18156 464 1 . 1 1 91 91 VAL HA H 91 4.810 4.810 4.592 0.218 18156 465 1 . 1 1 91 91 VAL C C 91 176.100 176.100 175.943 0.157 18156 466 1 . 1 1 91 91 VAL CA C 91 61.300 61.300 61.659 -0.359 18156 467 1 . 1 1 91 91 VAL CB C 91 34.200 34.200 32.853 1.347 18156 468 1 . 1 1 91 91 VAL H H 91 8.030 8.030 8.288 -0.258 18156 469 1 . 1 1 92 92 VAL N N 92 124.800 124.800 128.722 -3.922 18156 470 1 . 1 1 92 92 VAL HA H 92 4.540 4.540 4.267 0.273 18156 471 1 . 1 1 92 92 VAL C C 92 173.600 173.600 174.785 -1.185 18156 472 1 . 1 1 92 92 VAL CA C 92 59.700 59.700 61.080 -1.379 18156 473 1 . 1 1 92 92 VAL CB C 92 34.900 34.900 32.728 2.172 18156 474 1 . 1 1 92 92 VAL H H 92 8.640 8.640 8.528 0.112 18156 475 1 . 1 1 93 93 TYR N N 93 124.700 124.700 127.454 -2.754 18156 476 1 . 1 1 93 93 TYR HA H 93 4.930 4.930 4.537 0.393 18156 477 1 . 1 1 93 93 TYR C C 93 175.700 175.700 175.961 -0.261 18156 478 1 . 1 1 93 93 TYR CA C 93 57.400 57.400 58.523 -1.123 18156 479 1 . 1 1 93 93 TYR CB C 93 38.500 38.500 37.803 0.697 18156 480 1 . 1 1 93 93 TYR H H 93 8.800 8.800 8.561 0.239 18156 481 1 . 1 1 94 94 ILE N N 94 123.100 123.100 125.434 -2.334 18156 482 1 . 1 1 94 94 ILE HA H 94 4.510 4.510 4.286 0.224 18156 483 1 . 1 1 94 94 ILE C C 94 173.700 173.700 174.826 -1.126 18156 484 1 . 1 1 94 94 ILE CA C 94 59.200 59.200 60.098 -0.898 18156 485 1 . 1 1 94 94 ILE CB C 94 41.500 41.500 39.891 1.609 18156 486 1 . 1 1 94 94 ILE H H 94 9.000 9.000 8.167 0.833 18156 487 1 . 1 1 95 95 ALA N N 95 128.000 128.000 129.186 -1.186 18156 488 1 . 1 1 95 95 ALA HA H 95 4.990 4.990 4.570 0.420 18156 489 1 . 1 1 95 95 ALA C C 95 177.000 177.000 176.763 0.237 18156 490 1 . 1 1 95 95 ALA CA C 95 50.500 50.500 51.245 -0.745 18156 491 1 . 1 1 95 95 ALA CB C 95 20.400 20.400 19.504 0.896 18156 492 1 . 1 1 95 95 ALA H H 95 8.450 8.450 8.496 -0.046 18156 493 1 . 1 1 96 96 GLU N N 96 122.200 122.200 122.871 -0.671 18156 494 1 . 1 1 96 96 GLU HA H 96 4.520 4.520 4.299 0.221 18156 495 1 . 1 1 96 96 GLU C C 96 176.000 176.000 176.113 -0.113 18156 496 1 . 1 1 96 96 GLU CA C 96 55.500 55.500 56.342 -0.842 18156 497 1 . 1 1 96 96 GLU CB C 96 32.800 32.800 30.447 2.353 18156 498 1 . 1 1 96 96 GLU H H 96 8.850 8.850 8.435 0.415 18156 499 1 . 1 1 97 97 SER N N 97 118.600 118.600 116.490 2.110 18156 500 1 . 1 1 97 97 SER HA H 97 4.430 4.430 4.468 -0.038 18156 501 1 . 1 1 97 97 SER C C 97 174.200 174.200 174.249 -0.049 18156 502 1 . 1 1 97 97 SER CA C 97 58.500 58.500 58.433 0.067 18156 503 1 . 1 1 97 97 SER CB C 97 63.800 63.800 63.666 0.134 18156 504 1 . 1 1 97 97 SER H H 97 8.650 8.650 8.331 0.319 18156 505 1 . 1 1 98 98 ASP N N 98 123.200 123.200 122.465 0.735 18156 506 1 . 1 1 98 98 ASP HA H 98 4.670 4.670 4.562 0.108 18156 507 1 . 1 1 98 98 ASP C C 98 175.500 175.500 176.446 -0.946 18156 508 1 . 1 1 98 98 ASP CA C 98 54.400 54.400 54.925 -0.525 18156 509 1 . 1 1 98 98 ASP CB C 98 41.400 41.400 41.032 0.368 18156 510 1 . 1 1 98 98 ASP H H 98 8.500 8.500 8.428 0.072 18156 stop_ save_